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 1twf_1_K DATA FIRST_RESID 1 DATA SEQUENCE MNAPDRFELF LLGEGESKLK IDPDTKAPNA VVITFEKEDH TLGNLIRAEL DATA SEQUENCE LNDRKVLFAA YKVEHPFFAR FKLRIQTTEG YDPKDALKNA CNSIINKLGA DATA SEQUENCE LKTNFETEWN LQTL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.268 176.300 -0.053 0.000 1.140 1 M CA 0.000 55.274 55.300 -0.044 0.000 0.988 1 M CB 0.000 32.581 32.600 -0.031 0.000 1.302 2 N N 1.964 120.627 118.700 -0.061 0.000 2.457 2 N HA 0.260 5.000 4.740 0.000 0.000 0.180 2 N C 0.495 175.942 175.510 -0.106 0.000 1.050 2 N CA 0.971 53.979 53.050 -0.070 0.000 0.906 2 N CB 0.362 38.810 38.487 -0.065 0.000 0.968 2 N HN 0.563 nan 8.380 nan 0.000 0.445 3 A N 3.028 125.773 122.820 -0.124 0.000 2.520 3 A HA 0.221 4.541 4.320 0.000 0.000 0.245 3 A C -1.739 175.753 177.584 -0.154 0.000 1.072 3 A CA -0.804 51.135 52.037 -0.164 0.000 0.761 3 A CB -0.139 18.771 19.000 -0.151 0.000 1.004 3 A HN 0.101 nan 8.150 nan 0.000 0.499 4 P HA 0.199 nan 4.420 nan 0.000 0.276 4 P C -0.664 176.484 177.300 -0.252 0.000 1.244 4 P CA -0.548 62.448 63.100 -0.173 0.000 0.801 4 P CB 0.619 32.240 31.700 -0.131 0.000 1.006 5 D N 1.474 121.646 120.400 -0.379 0.000 2.390 5 D HA -0.020 4.620 4.640 0.000 0.000 0.236 5 D C 1.615 177.538 176.300 -0.628 0.000 1.189 5 D CA -0.022 53.590 54.000 -0.646 0.000 0.887 5 D CB 0.901 40.892 40.800 -1.349 0.000 1.198 5 D HN 0.241 nan 8.370 nan 0.000 0.444 6 R N 1.223 121.412 120.500 -0.519 0.000 2.090 6 R HA -0.092 4.248 4.340 0.000 0.000 0.228 6 R C 2.202 178.303 176.300 -0.331 0.000 1.110 6 R CA 0.760 56.693 56.100 -0.277 0.000 0.973 6 R CB -0.689 29.566 30.300 -0.076 0.000 0.869 6 R HN 0.554 nan 8.270 nan 0.000 0.440 7 F N 1.147 120.937 119.950 -0.266 0.000 2.269 7 F HA -0.022 4.505 4.527 -0.000 0.000 0.301 7 F C 1.439 176.700 175.800 -0.897 0.000 1.082 7 F CA 0.480 58.002 58.000 -0.797 0.000 1.360 7 F CB -1.069 37.696 39.000 -0.392 0.000 1.041 7 F HN -0.045 nan 8.300 nan 0.000 0.512 8 E N 0.889 120.946 120.200 -0.239 0.000 2.396 8 E HA -0.123 4.227 4.350 0.000 0.000 0.200 8 E C 2.041 178.565 176.600 -0.128 0.000 1.023 8 E CA 0.780 57.138 56.400 -0.071 0.000 0.857 8 E CB -0.356 29.290 29.700 -0.089 0.000 0.775 8 E HN 0.537 nan 8.360 nan 0.000 0.525 9 L N -0.354 120.738 121.223 -0.219 0.000 2.291 9 L HA -0.079 4.261 4.340 0.000 0.000 0.214 9 L C 1.516 178.445 176.870 0.099 0.000 1.120 9 L CA 0.766 55.597 54.840 -0.014 0.000 0.799 9 L CB -0.024 42.096 42.059 0.102 0.000 0.925 9 L HN 0.285 nan 8.230 nan 0.000 0.446 10 F N -4.344 115.684 119.950 0.129 0.000 2.925 10 F HA 0.410 4.937 4.527 0.000 0.000 0.355 10 F C -0.108 175.757 175.800 0.109 0.000 1.073 10 F CA -0.856 57.212 58.000 0.112 0.000 1.127 10 F CB 0.048 39.105 39.000 0.095 0.000 1.123 10 F HN -0.300 nan 8.300 nan 0.000 0.551 11 L N 2.954 124.079 121.223 -0.162 0.000 2.287 11 L HA 0.516 4.856 4.340 0.000 0.000 0.287 11 L C -0.558 176.312 176.870 -0.000 0.000 1.022 11 L CA -1.078 53.744 54.840 -0.030 0.000 0.814 11 L CB 1.333 43.306 42.059 -0.145 0.000 1.217 11 L HN 0.041 nan 8.230 nan 0.000 0.420 12 L N 3.778 125.015 121.223 0.023 0.000 2.410 12 L HA 0.395 4.735 4.340 0.000 0.000 0.273 12 L C 1.128 177.996 176.870 -0.004 0.000 1.144 12 L CA 0.486 55.335 54.840 0.015 0.000 0.863 12 L CB 0.170 42.237 42.059 0.013 0.000 1.140 12 L HN 0.702 nan 8.230 nan 0.000 0.463 13 G N 1.927 110.731 108.800 0.006 0.000 2.616 13 G HA2 0.206 4.166 3.960 0.000 0.000 0.268 13 G HA3 0.206 4.166 3.960 0.000 0.000 0.268 13 G C -0.283 174.610 174.900 -0.011 0.000 1.213 13 G CA -0.566 44.535 45.100 0.002 0.000 0.926 13 G HN 0.653 nan 8.290 nan 0.000 0.523 14 E N -0.776 119.415 120.200 -0.015 0.000 2.413 14 E HA 0.345 4.695 4.350 0.000 0.000 0.263 14 E C 1.209 177.798 176.600 -0.018 0.000 1.015 14 E CA 0.845 57.234 56.400 -0.019 0.000 0.916 14 E CB 0.127 29.816 29.700 -0.018 0.000 0.947 14 E HN 1.072 nan 8.360 nan 0.000 0.440 15 G N 3.303 112.091 108.800 -0.021 0.000 2.198 15 G HA2 -0.268 3.692 3.960 0.000 0.000 0.257 15 G HA3 -0.268 3.692 3.960 0.000 0.000 0.257 15 G C -0.372 174.513 174.900 -0.026 0.000 1.042 15 G CA 0.439 45.525 45.100 -0.023 0.000 0.791 15 G HN 0.549 nan 8.290 nan 0.000 0.502 16 E N -0.365 119.820 120.200 -0.025 0.000 2.293 16 E HA 0.633 4.983 4.350 0.000 0.000 0.270 16 E C -0.719 175.863 176.600 -0.031 0.000 0.879 16 E CA -0.690 55.693 56.400 -0.028 0.000 0.756 16 E CB 2.052 31.741 29.700 -0.019 0.000 1.208 16 E HN 0.143 nan 8.360 nan 0.000 0.428 17 S N 1.385 117.059 115.700 -0.044 0.000 2.566 17 S HA 0.230 4.700 4.470 0.000 0.000 0.298 17 S C 0.714 175.273 174.600 -0.067 0.000 1.083 17 S CA -0.871 57.297 58.200 -0.053 0.000 0.978 17 S CB 1.953 65.114 63.200 -0.066 0.000 1.073 17 S HN 0.379 nan 8.310 nan 0.000 0.491 18 K N 0.584 120.943 120.400 -0.068 0.000 2.147 18 K HA 0.137 4.457 4.320 0.000 0.000 0.205 18 K C 0.039 176.519 176.600 -0.200 0.000 1.049 18 K CA 1.111 57.351 56.287 -0.080 0.000 0.936 18 K CB -0.211 32.262 32.500 -0.045 0.000 0.722 18 K HN 0.526 nan 8.250 nan 0.000 0.446 19 L N 0.727 121.810 121.223 -0.233 0.000 2.381 19 L HA 0.382 4.722 4.340 0.000 0.000 0.268 19 L C -0.566 176.160 176.870 -0.239 0.000 0.997 19 L CA -0.699 53.925 54.840 -0.360 0.000 0.818 19 L CB 2.311 44.123 42.059 -0.412 0.000 1.310 19 L HN -0.250 nan 8.230 nan 0.000 0.416 20 K N 3.834 124.087 120.400 -0.244 0.000 2.535 20 K HA 0.597 4.917 4.320 0.000 0.000 0.253 20 K C -1.211 175.306 176.600 -0.137 0.000 0.953 20 K CA -0.362 55.835 56.287 -0.150 0.000 0.863 20 K CB 1.993 34.424 32.500 -0.115 0.000 1.111 20 K HN 0.450 nan 8.250 nan 0.000 0.431 21 I N 2.965 123.472 120.570 -0.105 0.000 2.354 21 I HA 0.304 4.474 4.170 0.000 0.000 0.292 21 I C -0.460 175.630 176.117 -0.045 0.000 0.989 21 I CA -0.548 60.706 61.300 -0.076 0.000 1.188 21 I CB 1.408 39.365 38.000 -0.071 0.000 1.342 21 I HN 0.437 nan 8.210 nan 0.000 0.457 22 D N 7.288 127.672 120.400 -0.027 0.000 2.732 22 D HA 0.364 5.004 4.640 0.000 0.000 0.229 22 D C -2.657 173.641 176.300 -0.004 0.000 1.152 22 D CA -1.145 52.846 54.000 -0.016 0.000 0.854 22 D CB 2.679 43.471 40.800 -0.014 0.000 1.590 22 D HN 0.212 nan 8.370 nan 0.000 0.468 23 P HA 0.086 nan 4.420 nan 0.000 0.282 23 P C -0.442 176.859 177.300 0.002 0.000 1.262 23 P CA -0.239 62.861 63.100 0.000 0.000 0.773 23 P CB 1.314 33.012 31.700 -0.003 0.000 0.879 24 D N 2.640 123.044 120.400 0.006 0.000 2.350 24 D HA 0.063 4.703 4.640 0.000 0.000 0.249 24 D C 0.516 176.810 176.300 -0.010 0.000 1.119 24 D CA 0.142 54.142 54.000 0.000 0.000 0.886 24 D CB 1.088 41.889 40.800 0.003 0.000 1.195 24 D HN 0.227 nan 8.370 nan 0.000 0.437 25 T N 3.344 117.890 114.554 -0.015 0.000 3.031 25 T HA -0.023 4.327 4.350 0.000 0.000 0.254 25 T C 1.637 176.322 174.700 -0.026 0.000 1.060 25 T CA 0.126 62.216 62.100 -0.017 0.000 1.135 25 T CB 0.294 69.154 68.868 -0.014 0.000 0.896 25 T HN 0.348 nan 8.240 nan 0.000 0.472 26 K N 1.652 122.030 120.400 -0.036 0.000 2.442 26 K HA 0.200 4.520 4.320 0.000 0.000 0.199 26 K C 0.700 177.264 176.600 -0.059 0.000 1.044 26 K CA 0.255 56.511 56.287 -0.051 0.000 0.941 26 K CB -0.259 32.199 32.500 -0.071 0.000 0.759 26 K HN 0.456 nan 8.250 nan 0.000 0.472 27 A N 1.023 123.813 122.820 -0.051 0.000 2.608 27 A HA 0.472 4.792 4.320 0.000 0.000 0.292 27 A C -2.866 174.704 177.584 -0.023 0.000 1.066 27 A CA -1.229 50.780 52.037 -0.046 0.000 0.676 27 A CB 1.667 20.621 19.000 -0.076 0.000 1.277 27 A HN -0.165 nan 8.150 nan 0.000 0.413 28 P HA 0.278 nan 4.420 nan 0.000 0.282 28 P C -0.308 176.997 177.300 0.009 0.000 1.249 28 P CA 0.034 63.135 63.100 0.001 0.000 0.806 28 P CB 0.800 32.503 31.700 0.005 0.000 0.984 29 N N -1.264 117.443 118.700 0.013 0.000 2.747 29 N HA -0.167 4.573 4.740 0.000 0.000 0.249 29 N C -0.477 175.042 175.510 0.015 0.000 1.107 29 N CA 1.243 54.303 53.050 0.015 0.000 0.707 29 N CB -1.367 37.134 38.487 0.023 0.000 1.054 29 N HN 0.698 nan 8.380 nan 0.000 0.555 30 A N -0.574 122.257 122.820 0.017 0.000 2.355 30 A HA 0.830 5.150 4.320 0.000 0.000 0.324 30 A C -0.073 177.531 177.584 0.033 0.000 1.117 30 A CA -0.398 51.660 52.037 0.034 0.000 0.785 30 A CB 2.243 21.256 19.000 0.022 0.000 1.254 30 A HN 0.008 nan 8.150 nan 0.000 0.453 31 V N 1.009 120.956 119.914 0.055 0.000 3.007 31 V HA 0.544 4.664 4.120 0.000 0.000 0.311 31 V C -0.966 175.174 176.094 0.077 0.000 1.120 31 V CA -0.474 61.854 62.300 0.047 0.000 0.980 31 V CB 2.403 34.243 31.823 0.028 0.000 1.033 31 V HN 0.734 nan 8.190 nan 0.000 0.429 32 V N 4.732 124.680 119.914 0.058 0.000 2.357 32 V HA 0.508 4.628 4.120 0.000 0.000 0.281 32 V C -0.435 175.686 176.094 0.045 0.000 1.015 32 V CA -0.292 62.055 62.300 0.078 0.000 0.827 32 V CB 1.187 33.049 31.823 0.065 0.000 1.018 32 V HN 0.644 nan 8.190 nan 0.000 0.432 33 I N 3.313 123.924 120.570 0.068 0.000 2.331 33 I HA 0.366 4.536 4.170 0.000 0.000 0.292 33 I C 0.527 176.629 176.117 -0.026 0.000 0.998 33 I CA 0.112 61.395 61.300 -0.029 0.000 1.267 33 I CB 1.613 39.575 38.000 -0.063 0.000 1.386 33 I HN 0.440 nan 8.210 nan 0.000 0.476 34 T N 6.733 121.204 114.554 -0.138 0.000 2.781 34 T HA 0.391 4.741 4.350 0.000 0.000 0.305 34 T C -0.315 174.230 174.700 -0.259 0.000 1.001 34 T CA -0.258 61.767 62.100 -0.124 0.000 0.950 34 T CB -0.200 68.618 68.868 -0.083 0.000 0.955 34 T HN 0.093 nan 8.240 nan 0.000 0.471 35 F N 3.269 122.908 119.950 -0.520 0.000 2.438 35 F HA 0.252 4.779 4.527 0.000 0.000 0.360 35 F C 1.185 176.803 175.800 -0.302 0.000 1.118 35 F CA -0.688 56.997 58.000 -0.524 0.000 1.164 35 F CB 0.557 38.902 39.000 -1.092 0.000 1.131 35 F HN 0.346 nan 8.300 nan 0.000 0.527 36 E N 4.131 124.316 120.200 -0.025 0.000 2.249 36 E HA 0.175 4.525 4.350 0.000 0.000 0.280 36 E C 0.051 176.708 176.600 0.096 0.000 1.016 36 E CA -0.485 55.932 56.400 0.029 0.000 0.830 36 E CB 1.078 30.775 29.700 -0.005 0.000 1.081 36 E HN 0.348 nan 8.360 nan 0.000 0.395 37 K N 1.540 122.014 120.400 0.124 0.000 3.162 37 K HA -0.153 4.167 4.320 0.000 0.000 0.268 37 K C -0.430 176.295 176.600 0.209 0.000 1.062 37 K CA 0.768 57.150 56.287 0.157 0.000 0.769 37 K CB -1.219 31.363 32.500 0.137 0.000 1.274 37 K HN 0.527 nan 8.250 nan 0.000 0.478 38 E N 0.177 120.524 120.200 0.245 0.000 2.392 38 E HA 0.405 4.755 4.350 0.000 0.000 0.279 38 E C -0.116 176.672 176.600 0.313 0.000 0.964 38 E CA -0.552 56.026 56.400 0.297 0.000 0.777 38 E CB 1.994 31.947 29.700 0.422 0.000 1.249 38 E HN 0.244 nan 8.360 nan 0.000 0.449 39 D N -1.464 119.036 120.400 0.167 0.000 2.898 39 D HA 0.231 4.871 4.640 0.000 0.000 0.266 39 D C 0.979 177.149 176.300 -0.217 0.000 1.173 39 D CA -0.385 53.616 54.000 0.002 0.000 1.078 39 D CB 0.070 40.880 40.800 0.017 0.000 1.326 39 D HN 0.297 nan 8.370 nan 0.000 0.622 40 H N -0.734 118.316 119.070 -0.032 0.000 2.496 40 H HA -0.108 4.448 4.556 0.000 0.000 0.296 40 H C 1.478 176.658 175.328 -0.246 0.000 1.107 40 H CA 1.907 57.889 56.048 -0.109 0.000 1.263 40 H CB -0.481 29.288 29.762 0.012 0.000 1.369 40 H HN 0.409 nan 8.280 nan 0.000 0.541 41 T N 0.986 115.496 114.554 -0.074 0.000 2.684 41 T HA -0.129 4.221 4.350 0.000 0.000 0.267 41 T C 2.160 176.738 174.700 -0.203 0.000 1.036 41 T CA 1.169 63.209 62.100 -0.101 0.000 1.148 41 T CB -0.204 68.638 68.868 -0.043 0.000 0.863 41 T HN 0.089 nan 8.240 nan 0.000 0.436 42 L N 0.583 121.646 121.223 -0.266 0.000 2.200 42 L HA 0.379 4.719 4.340 0.000 0.000 0.200 42 L C 2.639 179.090 176.870 -0.700 0.000 1.072 42 L CA 1.586 56.235 54.840 -0.317 0.000 0.787 42 L CB -1.375 40.625 42.059 -0.099 0.000 0.957 42 L HN 0.288 nan 8.230 nan 0.000 0.459 43 G N -0.242 107.745 108.800 -1.355 0.000 2.529 43 G HA2 -0.437 3.523 3.960 0.000 0.000 0.219 43 G HA3 -0.437 3.523 3.960 0.000 0.000 0.219 43 G C 1.487 175.316 174.900 -1.785 0.000 1.177 43 G CA 1.221 45.031 45.100 -2.151 0.000 0.773 43 G HN 0.486 nan 8.290 nan 0.000 0.573 44 N N -0.305 117.505 118.700 -1.483 0.000 2.396 44 N HA -0.007 4.733 4.740 0.000 0.000 0.180 44 N C 1.953 177.183 175.510 -0.467 0.000 1.028 44 N CA 0.682 53.207 53.050 -0.874 0.000 0.893 44 N CB -0.157 38.111 38.487 -0.366 0.000 0.967 44 N HN 0.275 nan 8.380 nan 0.000 0.440 45 L N 0.588 121.558 121.223 -0.421 0.000 1.993 45 L HA 0.165 4.505 4.340 0.000 0.000 0.206 45 L C 1.918 178.656 176.870 -0.221 0.000 1.074 45 L CA 1.456 56.144 54.840 -0.253 0.000 0.746 45 L CB -0.795 41.144 42.059 -0.199 0.000 0.896 45 L HN 0.175 nan 8.230 nan 0.000 0.435 46 I N -0.543 119.880 120.570 -0.244 0.000 2.423 46 I HA -0.266 3.904 4.170 0.000 0.000 0.254 46 I C 2.609 178.635 176.117 -0.152 0.000 1.151 46 I CA 0.688 61.894 61.300 -0.156 0.000 1.421 46 I CB -0.495 37.426 38.000 -0.132 0.000 1.079 46 I HN 0.347 nan 8.210 nan 0.000 0.431 47 R N 1.586 121.940 120.500 -0.244 0.000 2.070 47 R HA -0.110 4.230 4.340 0.000 0.000 0.233 47 R C 2.318 178.543 176.300 -0.125 0.000 1.137 47 R CA 1.975 57.967 56.100 -0.180 0.000 0.945 47 R CB -0.728 29.430 30.300 -0.236 0.000 0.845 47 R HN 0.350 nan 8.270 nan 0.000 0.430 48 A N 1.229 123.969 122.820 -0.134 0.000 1.978 48 A HA -0.145 4.175 4.320 0.000 0.000 0.220 48 A C 2.052 179.598 177.584 -0.064 0.000 1.170 48 A CA 1.445 53.430 52.037 -0.088 0.000 0.636 48 A CB -0.307 18.640 19.000 -0.088 0.000 0.810 48 A HN 0.313 nan 8.150 nan 0.000 0.448 49 E N -0.048 120.113 120.200 -0.066 0.000 2.046 49 E HA -0.075 4.275 4.350 0.000 0.000 0.190 49 E C 2.008 178.594 176.600 -0.023 0.000 0.982 49 E CA 0.791 57.169 56.400 -0.037 0.000 0.800 49 E CB -0.427 29.254 29.700 -0.032 0.000 0.756 49 E HN 0.664 nan 8.360 nan 0.000 0.449 50 L N 0.653 121.856 121.223 -0.033 0.000 2.263 50 L HA -0.204 4.136 4.340 0.000 0.000 0.216 50 L C 2.389 179.243 176.870 -0.028 0.000 1.111 50 L CA 0.400 55.225 54.840 -0.025 0.000 0.773 50 L CB -0.287 41.747 42.059 -0.041 0.000 0.906 50 L HN 0.093 nan 8.230 nan 0.000 0.439 51 L N -0.579 120.621 121.223 -0.038 0.000 2.341 51 L HA -0.031 4.309 4.340 0.000 0.000 0.214 51 L C 2.097 178.963 176.870 -0.008 0.000 1.115 51 L CA 1.223 56.043 54.840 -0.033 0.000 0.820 51 L CB -0.533 41.499 42.059 -0.045 0.000 0.944 51 L HN 0.218 nan 8.230 nan 0.000 0.452 52 N N -0.427 118.272 118.700 -0.002 0.000 2.396 52 N HA -0.117 4.623 4.740 0.000 0.000 0.180 52 N C 0.297 175.823 175.510 0.028 0.000 1.028 52 N CA 0.447 53.503 53.050 0.009 0.000 0.893 52 N CB -0.199 38.292 38.487 0.007 0.000 0.967 52 N HN 0.338 nan 8.380 nan 0.000 0.440 53 D N 0.847 121.271 120.400 0.041 0.000 2.371 53 D HA 0.061 4.701 4.640 0.000 0.000 0.256 53 D C 0.882 177.230 176.300 0.080 0.000 1.193 53 D CA -0.009 54.038 54.000 0.079 0.000 0.881 53 D CB 0.819 41.689 40.800 0.118 0.000 1.143 53 D HN 0.058 nan 8.370 nan 0.000 0.473 54 R N 2.653 123.202 120.500 0.081 0.000 2.193 54 R HA -0.006 4.334 4.340 0.000 0.000 0.213 54 R C 1.289 177.652 176.300 0.105 0.000 1.055 54 R CA 0.635 56.779 56.100 0.074 0.000 0.995 54 R CB 0.337 30.668 30.300 0.053 0.000 0.893 54 R HN 0.340 nan 8.270 nan 0.000 0.459 55 K N 0.732 121.234 120.400 0.171 0.000 2.522 55 K HA 0.098 4.418 4.320 0.000 0.000 0.194 55 K C -0.369 176.373 176.600 0.237 0.000 1.026 55 K CA 0.156 56.595 56.287 0.254 0.000 1.119 55 K CB 0.628 33.345 32.500 0.362 0.000 0.856 55 K HN -0.080 nan 8.250 nan 0.000 0.513 56 V N 2.174 122.164 119.914 0.127 0.000 2.347 56 V HA 0.114 4.234 4.120 0.000 0.000 0.280 56 V C 1.006 177.135 176.094 0.059 0.000 1.021 56 V CA -0.305 62.018 62.300 0.038 0.000 0.847 56 V CB 1.306 33.128 31.823 -0.000 0.000 0.990 56 V HN 0.220 nan 8.190 nan 0.000 0.444 57 L N 4.540 125.810 121.223 0.078 0.000 2.270 57 L HA 0.263 4.603 4.340 0.000 0.000 0.210 57 L C 0.330 177.320 176.870 0.200 0.000 1.104 57 L CA 1.231 56.141 54.840 0.117 0.000 0.804 57 L CB -0.002 42.123 42.059 0.110 0.000 0.937 57 L HN 0.537 nan 8.230 nan 0.000 0.450 58 F N 0.092 120.047 119.950 0.008 0.000 2.615 58 F HA 0.677 5.204 4.527 -0.000 0.000 0.312 58 F C -1.381 174.431 175.800 0.021 0.000 1.119 58 F CA -1.006 57.004 58.000 0.016 0.000 0.979 58 F CB 1.510 40.520 39.000 0.016 0.000 1.266 58 F HN -0.284 nan 8.300 nan 0.000 0.444 59 A N 4.151 126.358 122.820 -1.023 0.000 2.485 59 A HA 0.920 5.240 4.320 0.000 0.000 0.285 59 A C -1.815 175.323 177.584 -0.743 0.000 1.045 59 A CA 0.134 51.755 52.037 -0.694 0.000 0.792 59 A CB 0.808 19.642 19.000 -0.277 0.000 1.307 59 A HN 1.856 nan 8.150 nan 0.000 0.406 60 A N 1.472 123.986 122.820 -0.510 0.000 2.606 60 A HA 0.926 5.246 4.320 0.000 0.000 0.293 60 A C -1.255 176.408 177.584 0.131 0.000 1.082 60 A CA -0.371 51.573 52.037 -0.156 0.000 0.685 60 A CB 1.097 20.033 19.000 -0.106 0.000 1.284 60 A HN 2.152 nan 8.150 nan 0.000 0.408 61 Y N -0.097 120.203 120.300 -0.000 0.000 2.562 61 Y HA 0.813 5.363 4.550 0.000 0.000 0.345 61 Y C -0.876 175.072 175.900 0.080 0.000 1.045 61 Y CA -0.902 57.244 58.100 0.076 0.000 1.028 61 Y CB 1.793 40.230 38.460 -0.039 0.000 1.297 61 Y HN 0.889 nan 8.280 nan 0.000 0.463 62 K N 2.396 122.736 120.400 -0.101 0.000 2.557 62 K HA 0.603 4.923 4.320 0.000 0.000 0.261 62 K C -2.436 174.175 176.600 0.019 0.000 0.932 62 K CA -1.135 55.009 56.287 -0.238 0.000 0.829 62 K CB 2.410 34.850 32.500 -0.098 0.000 1.358 62 K HN 0.737 nan 8.250 nan 0.000 0.430 63 V N 3.542 123.447 119.914 -0.015 0.000 2.318 63 V HA 0.143 4.263 4.120 0.000 0.000 0.271 63 V C 0.758 176.901 176.094 0.082 0.000 1.030 63 V CA -0.080 62.273 62.300 0.088 0.000 0.844 63 V CB 0.742 32.577 31.823 0.019 0.000 1.015 63 V HN 0.931 nan 8.190 nan 0.000 0.460 64 E N 4.154 124.430 120.200 0.127 0.000 2.209 64 E HA -0.144 4.206 4.350 0.000 0.000 0.196 64 E C 0.096 176.783 176.600 0.144 0.000 0.993 64 E CA 1.227 57.699 56.400 0.121 0.000 0.819 64 E CB 0.129 29.914 29.700 0.142 0.000 0.745 64 E HN 0.874 nan 8.360 nan 0.000 0.477 65 H N -1.195 117.934 119.070 0.098 0.000 3.179 65 H HA 0.068 4.624 4.556 0.000 0.000 0.331 65 H C -2.098 173.192 175.328 -0.063 0.000 1.013 65 H CA -1.492 54.553 56.048 -0.006 0.000 1.430 65 H CB 1.786 31.583 29.762 0.059 0.000 1.895 65 H HN -0.219 nan 8.280 nan 0.000 0.468 66 P HA -0.200 nan 4.420 nan 0.000 0.222 66 P C 1.151 178.565 177.300 0.189 0.000 1.142 66 P CA 1.239 64.381 63.100 0.071 0.000 0.788 66 P CB 0.057 31.742 31.700 -0.024 0.000 0.767 67 F N -0.776 119.192 119.950 0.031 0.000 2.134 67 F HA -0.070 4.457 4.527 0.000 0.000 0.299 67 F C 1.227 176.664 175.800 -0.605 0.000 1.097 67 F CA 0.080 57.761 58.000 -0.531 0.000 1.264 67 F CB -0.326 37.934 39.000 -1.233 0.000 1.001 67 F HN -0.201 nan 8.300 nan 0.000 0.479 68 F N -0.247 119.860 119.950 0.263 0.000 2.399 68 F HA 0.507 5.034 4.527 -0.000 0.000 0.334 68 F C 0.358 176.238 175.800 0.134 0.000 1.097 68 F CA -1.309 56.778 58.000 0.145 0.000 1.076 68 F CB 0.722 39.779 39.000 0.096 0.000 1.162 68 F HN -0.317 nan 8.300 nan 0.000 0.495 69 A N 4.366 127.349 122.820 0.272 0.000 2.798 69 A HA 0.650 4.970 4.320 0.000 0.000 0.316 69 A C -0.014 177.698 177.584 0.214 0.000 1.506 69 A CA -0.405 51.757 52.037 0.208 0.000 1.162 69 A CB -0.588 18.512 19.000 0.167 0.000 1.138 69 A HN 0.918 nan 8.150 nan 0.000 0.532 70 R N 0.383 121.026 120.500 0.237 0.000 2.709 70 R HA 0.711 5.051 4.340 0.000 0.000 0.270 70 R C -1.291 175.177 176.300 0.281 0.000 1.038 70 R CA -0.765 55.458 56.100 0.206 0.000 0.872 70 R CB 0.765 31.142 30.300 0.128 0.000 1.259 70 R HN 0.802 nan 8.270 nan 0.000 0.473 71 F N -0.968 119.080 119.950 0.162 0.000 2.645 71 F HA 0.670 5.197 4.527 0.000 0.000 0.310 71 F C -1.482 174.447 175.800 0.215 0.000 1.102 71 F CA -1.218 56.874 58.000 0.153 0.000 0.952 71 F CB 2.030 41.117 39.000 0.146 0.000 1.326 71 F HN 0.411 nan 8.300 nan 0.000 0.456 72 K N 2.595 123.216 120.400 0.369 0.000 2.182 72 K HA 0.596 4.916 4.320 0.000 0.000 0.262 72 K C -1.569 175.286 176.600 0.424 0.000 0.957 72 K CA -0.807 55.640 56.287 0.268 0.000 0.842 72 K CB 2.332 34.941 32.500 0.182 0.000 1.099 72 K HN 0.745 nan 8.250 nan 0.000 0.438 73 L N 3.622 125.070 121.223 0.374 0.000 2.319 73 L HA 0.433 4.773 4.340 0.000 0.000 0.281 73 L C -0.862 176.173 176.870 0.275 0.000 1.005 73 L CA -0.713 54.359 54.840 0.387 0.000 0.828 73 L CB 1.314 43.668 42.059 0.493 0.000 1.227 73 L HN 0.596 nan 8.230 nan 0.000 0.415 74 R N 5.542 126.199 120.500 0.261 0.000 2.445 74 R HA 0.713 5.053 4.340 0.000 0.000 0.308 74 R C -1.361 175.100 176.300 0.269 0.000 0.961 74 R CA -0.460 55.818 56.100 0.296 0.000 0.862 74 R CB 1.326 31.901 30.300 0.458 0.000 1.144 74 R HN 0.604 nan 8.270 nan 0.000 0.447 75 I N 2.743 123.448 120.570 0.226 0.000 2.647 75 I HA 0.338 4.508 4.170 0.000 0.000 0.295 75 I C -0.719 175.498 176.117 0.166 0.000 1.078 75 I CA -0.870 60.523 61.300 0.156 0.000 1.048 75 I CB 2.310 40.340 38.000 0.050 0.000 1.239 75 I HN 0.515 nan 8.210 nan 0.000 0.421 76 Q N 4.009 123.911 119.800 0.171 0.000 2.323 76 Q HA 0.652 4.992 4.340 0.000 0.000 0.271 76 Q C -1.423 174.599 176.000 0.038 0.000 1.048 76 Q CA -0.535 55.339 55.803 0.117 0.000 0.792 76 Q CB 2.777 31.623 28.738 0.181 0.000 1.280 76 Q HN 0.859 nan 8.270 nan 0.000 0.441 77 T N -0.856 113.691 114.554 -0.013 0.000 2.865 77 T HA 0.484 4.834 4.350 0.000 0.000 0.294 77 T C -0.058 174.673 174.700 0.052 0.000 1.119 77 T CA -0.726 61.351 62.100 -0.039 0.000 1.007 77 T CB 1.428 70.116 68.868 -0.301 0.000 1.225 77 T HN 0.427 nan 8.240 nan 0.000 0.515 78 T N 1.721 116.353 114.554 0.131 0.000 2.855 78 T HA 0.158 4.508 4.350 0.000 0.000 0.314 78 T C 0.471 175.253 174.700 0.136 0.000 1.077 78 T CA -0.336 61.845 62.100 0.135 0.000 1.095 78 T CB 0.270 69.232 68.868 0.156 0.000 0.987 78 T HN 0.800 nan 8.240 nan 0.000 0.546 79 E N 0.237 120.492 120.200 0.093 0.000 2.442 79 E HA 0.195 4.545 4.350 0.000 0.000 0.262 79 E C 1.360 178.018 176.600 0.097 0.000 1.004 79 E CA 0.708 57.155 56.400 0.079 0.000 0.928 79 E CB -0.262 29.470 29.700 0.052 0.000 0.937 79 E HN 0.855 nan 8.360 nan 0.000 0.446 80 G N 3.639 112.495 108.800 0.093 0.000 2.363 80 G HA2 -0.350 3.610 3.960 0.000 0.000 0.238 80 G HA3 -0.350 3.610 3.960 0.000 0.000 0.238 80 G C -0.047 174.946 174.900 0.155 0.000 1.062 80 G CA 0.362 45.517 45.100 0.091 0.000 0.629 80 G HN 0.698 nan 8.290 nan 0.000 0.514 81 Y N 2.685 122.997 120.300 0.021 0.000 2.436 81 Y HA 0.431 4.981 4.550 0.000 0.000 0.343 81 Y C -0.085 175.831 175.900 0.027 0.000 1.008 81 Y CA -0.828 57.286 58.100 0.024 0.000 1.241 81 Y CB 0.619 39.096 38.460 0.027 0.000 1.153 81 Y HN 0.214 nan 8.280 nan 0.000 0.521 82 D N 8.981 129.568 120.400 0.311 0.000 2.308 82 D HA 0.074 4.714 4.640 0.000 0.000 0.251 82 D C -1.667 174.585 176.300 -0.079 0.000 1.127 82 D CA -1.967 52.086 54.000 0.088 0.000 0.876 82 D CB 1.998 42.858 40.800 0.100 0.000 1.176 82 D HN 0.362 nan 8.370 nan 0.000 0.446 83 P HA -0.144 nan 4.420 nan 0.000 0.217 83 P C 0.830 178.084 177.300 -0.076 0.000 1.150 83 P CA 1.083 64.097 63.100 -0.144 0.000 0.832 83 P CB 0.390 32.053 31.700 -0.062 0.000 0.787 84 K N -0.553 119.834 120.400 -0.021 0.000 2.360 84 K HA -0.111 4.209 4.320 0.000 0.000 0.201 84 K C 1.681 178.298 176.600 0.028 0.000 1.046 84 K CA 1.005 57.295 56.287 0.005 0.000 0.945 84 K CB -0.297 32.208 32.500 0.008 0.000 0.750 84 K HN 0.170 nan 8.250 nan 0.000 0.464 85 D N 0.448 120.875 120.400 0.046 0.000 2.183 85 D HA -0.004 4.636 4.640 0.000 0.000 0.205 85 D C 1.840 178.218 176.300 0.130 0.000 0.962 85 D CA 0.698 54.774 54.000 0.127 0.000 0.849 85 D CB 0.150 41.108 40.800 0.263 0.000 0.978 85 D HN 0.138 nan 8.370 nan 0.000 0.488 86 A N 1.003 123.816 122.820 -0.012 0.000 1.972 86 A HA -0.138 4.182 4.320 0.000 0.000 0.219 86 A C 2.118 179.720 177.584 0.032 0.000 1.169 86 A CA 0.828 52.849 52.037 -0.027 0.000 0.635 86 A CB -0.503 18.340 19.000 -0.261 0.000 0.810 86 A HN 0.225 nan 8.150 nan 0.000 0.446 87 L N -0.390 120.853 121.223 0.032 0.000 2.141 87 L HA -0.062 4.278 4.340 0.000 0.000 0.209 87 L C 2.114 179.031 176.870 0.077 0.000 1.094 87 L CA 1.967 56.850 54.840 0.072 0.000 0.763 87 L CB -0.428 41.688 42.059 0.095 0.000 0.908 87 L HN 0.308 nan 8.230 nan 0.000 0.437 88 K N -0.635 119.808 120.400 0.072 0.000 2.031 88 K HA -0.100 4.221 4.320 0.000 0.000 0.205 88 K C 1.873 178.514 176.600 0.070 0.000 1.049 88 K CA 1.437 57.765 56.287 0.068 0.000 0.939 88 K CB -0.216 32.324 32.500 0.066 0.000 0.717 88 K HN 0.303 nan 8.250 nan 0.000 0.438 89 N N 1.018 119.771 118.700 0.088 0.000 2.166 89 N HA -0.148 4.592 4.740 0.000 0.000 0.186 89 N C 1.609 177.157 175.510 0.064 0.000 1.019 89 N CA 1.429 54.531 53.050 0.085 0.000 0.856 89 N CB -0.316 38.250 38.487 0.131 0.000 0.993 89 N HN 0.200 nan 8.380 nan 0.000 0.426 90 A N 0.134 122.990 122.820 0.060 0.000 1.873 90 A HA -0.114 4.206 4.320 0.000 0.000 0.215 90 A C 2.559 180.163 177.584 0.033 0.000 1.186 90 A CA 1.204 53.264 52.037 0.039 0.000 0.616 90 A CB -1.114 17.904 19.000 0.030 0.000 0.823 90 A HN 0.427 nan 8.150 nan 0.000 0.442 91 C N -0.195 119.134 119.300 0.047 0.000 2.413 91 C HA -0.137 4.323 4.460 0.000 0.000 0.277 91 C C 2.748 177.759 174.990 0.034 0.000 1.228 91 C CA 1.282 60.328 59.018 0.046 0.000 1.731 91 C CB -1.513 26.267 27.740 0.066 0.000 2.042 91 C HN 0.640 nan 8.230 nan 0.000 0.468 92 N N 0.505 119.227 118.700 0.037 0.000 2.069 92 N HA -0.136 4.604 4.740 0.000 0.000 0.191 92 N C 1.954 177.477 175.510 0.023 0.000 1.031 92 N CA 1.649 54.717 53.050 0.029 0.000 0.852 92 N CB -0.685 37.821 38.487 0.032 0.000 1.018 92 N HN 0.489 nan 8.380 nan 0.000 0.423 93 S N 0.565 116.280 115.700 0.024 0.000 2.400 93 S HA -0.009 4.461 4.470 0.000 0.000 0.232 93 S C 2.015 176.620 174.600 0.008 0.000 1.025 93 S CA 0.606 58.816 58.200 0.017 0.000 0.993 93 S CB -0.103 63.109 63.200 0.019 0.000 0.808 93 S HN 0.215 nan 8.310 nan 0.000 0.478 94 I N 0.889 121.462 120.570 0.006 0.000 2.162 94 I HA -0.129 4.042 4.170 0.000 0.000 0.238 94 I C 2.167 178.284 176.117 -0.001 0.000 1.076 94 I CA 1.175 62.472 61.300 -0.005 0.000 1.353 94 I CB -0.442 37.551 38.000 -0.011 0.000 1.063 94 I HN 0.276 nan 8.210 nan 0.000 0.408 95 I N 1.173 121.746 120.570 0.006 0.000 2.185 95 I HA -0.371 3.799 4.170 0.000 0.000 0.246 95 I C 2.290 178.411 176.117 0.007 0.000 1.088 95 I CA 1.485 62.789 61.300 0.007 0.000 1.347 95 I CB -0.651 37.357 38.000 0.014 0.000 1.041 95 I HN 0.374 nan 8.210 nan 0.000 0.415 96 N N 1.076 119.782 118.700 0.009 0.000 2.080 96 N HA -0.157 4.583 4.740 0.000 0.000 0.189 96 N C 1.794 177.309 175.510 0.008 0.000 1.036 96 N CA 1.297 54.353 53.050 0.010 0.000 0.846 96 N CB -0.333 38.161 38.487 0.012 0.000 1.015 96 N HN 0.361 nan 8.380 nan 0.000 0.423 97 K N 0.869 121.272 120.400 0.005 0.000 2.089 97 K HA -0.093 4.227 4.320 0.000 0.000 0.210 97 K C 2.151 178.751 176.600 -0.000 0.000 1.048 97 K CA 0.951 57.239 56.287 0.002 0.000 0.926 97 K CB -0.211 32.286 32.500 -0.004 0.000 0.714 97 K HN 0.157 nan 8.250 nan 0.000 0.448 98 L N -0.500 120.720 121.223 -0.006 0.000 2.072 98 L HA -0.081 4.259 4.340 0.000 0.000 0.205 98 L C 2.576 179.445 176.870 -0.002 0.000 1.079 98 L CA 1.212 56.045 54.840 -0.012 0.000 0.752 98 L CB -0.817 41.230 42.059 -0.020 0.000 0.906 98 L HN 0.340 nan 8.230 nan 0.000 0.436 99 G N -0.056 108.747 108.800 0.005 0.000 2.440 99 G HA2 -0.287 3.673 3.960 0.000 0.000 0.218 99 G HA3 -0.287 3.673 3.960 0.000 0.000 0.218 99 G C 1.769 176.682 174.900 0.022 0.000 1.154 99 G CA 0.903 46.011 45.100 0.013 0.000 0.767 99 G HN 0.463 nan 8.290 nan 0.000 0.552 100 A N 0.438 123.271 122.820 0.021 0.000 1.933 100 A HA 0.086 4.406 4.320 0.000 0.000 0.218 100 A C 2.304 179.912 177.584 0.041 0.000 1.175 100 A CA 1.418 53.472 52.037 0.028 0.000 0.628 100 A CB -0.378 18.636 19.000 0.023 0.000 0.814 100 A HN 0.371 nan 8.150 nan 0.000 0.444 101 L N -0.183 121.061 121.223 0.034 0.000 2.093 101 L HA -0.131 4.209 4.340 0.000 0.000 0.208 101 L C 2.281 179.200 176.870 0.082 0.000 1.085 101 L CA 2.537 57.406 54.840 0.048 0.000 0.755 101 L CB -0.718 41.348 42.059 0.012 0.000 0.904 101 L HN 0.565 nan 8.230 nan 0.000 0.435 102 K N -0.810 119.623 120.400 0.056 0.000 2.097 102 K HA -0.159 4.161 4.320 0.000 0.000 0.206 102 K C 1.764 178.440 176.600 0.126 0.000 1.049 102 K CA 1.944 58.279 56.287 0.079 0.000 0.933 102 K CB 0.074 32.596 32.500 0.037 0.000 0.717 102 K HN 0.336 nan 8.250 nan 0.000 0.442 103 T N 0.857 115.465 114.554 0.090 0.000 2.732 103 T HA -0.065 4.285 4.350 0.000 0.000 0.261 103 T C 1.482 176.237 174.700 0.093 0.000 1.040 103 T CA 1.560 63.708 62.100 0.081 0.000 1.145 103 T CB -0.424 68.475 68.868 0.053 0.000 0.866 103 T HN 0.321 nan 8.240 nan 0.000 0.427 104 N N 0.588 119.345 118.700 0.096 0.000 2.348 104 N HA -0.019 4.721 4.740 0.000 0.000 0.185 104 N C 1.251 176.836 175.510 0.124 0.000 1.019 104 N CA 0.647 53.753 53.050 0.093 0.000 0.880 104 N CB -0.308 38.231 38.487 0.087 0.000 0.965 104 N HN 0.338 nan 8.380 nan 0.000 0.437 105 F N 1.361 121.333 119.950 0.036 0.000 2.147 105 F HA 0.102 4.629 4.527 0.000 0.000 0.291 105 F C 1.823 177.683 175.800 0.100 0.000 1.093 105 F CA 0.962 58.992 58.000 0.049 0.000 1.263 105 F CB -0.130 38.869 39.000 -0.001 0.000 1.036 105 F HN -0.012 nan 8.300 nan 0.000 0.481 106 E N -0.531 119.728 120.200 0.097 0.000 2.401 106 E HA -0.149 4.201 4.350 0.000 0.000 0.199 106 E C 1.788 178.410 176.600 0.037 0.000 1.023 106 E CA 1.332 57.772 56.400 0.066 0.000 0.859 106 E CB -0.144 29.629 29.700 0.122 0.000 0.780 106 E HN 0.421 nan 8.360 nan 0.000 0.523 107 T N 0.550 115.107 114.554 0.006 0.000 2.818 107 T HA -0.057 4.293 4.350 0.000 0.000 0.246 107 T C 1.571 176.249 174.700 -0.038 0.000 1.036 107 T CA 0.389 62.488 62.100 -0.003 0.000 1.160 107 T CB 0.004 68.878 68.868 0.009 0.000 0.869 107 T HN 0.021 nan 8.240 nan 0.000 0.419 108 E N 0.655 120.818 120.200 -0.061 0.000 2.209 108 E HA -0.134 4.216 4.350 0.000 0.000 0.196 108 E C 1.739 178.283 176.600 -0.093 0.000 0.993 108 E CA 0.601 56.957 56.400 -0.073 0.000 0.819 108 E CB -0.205 29.462 29.700 -0.055 0.000 0.745 108 E HN 0.649 nan 8.360 nan 0.000 0.477 109 W N 1.449 122.511 121.300 -0.397 0.000 2.467 109 W HA -0.127 4.533 4.660 0.000 0.000 0.275 109 W C 1.165 177.567 176.519 -0.196 0.000 1.239 109 W CA 0.670 57.784 57.345 -0.384 0.000 1.266 109 W CB 0.146 29.290 29.460 -0.525 0.000 1.112 109 W HN 0.066 nan 8.180 nan 0.000 0.576 110 N N 1.101 119.699 118.700 -0.171 0.000 2.171 110 N HA -0.116 4.624 4.740 0.000 0.000 0.184 110 N C 1.710 177.086 175.510 -0.222 0.000 1.021 110 N CA 1.397 54.321 53.050 -0.210 0.000 0.854 110 N CB -0.989 37.445 38.487 -0.089 0.000 0.994 110 N HN 0.243 nan 8.380 nan 0.000 0.426 111 L N 0.995 122.121 121.223 -0.162 0.000 2.749 111 L HA -0.012 4.328 4.340 0.000 0.000 0.245 111 L C 0.105 176.873 176.870 -0.170 0.000 1.156 111 L CA 0.508 55.267 54.840 -0.135 0.000 0.890 111 L CB -0.493 41.514 42.059 -0.087 0.000 1.036 111 L HN 0.015 nan 8.230 nan 0.000 0.441 112 Q N 0.334 119.970 119.800 -0.274 0.000 2.222 112 Q HA 0.316 4.656 4.340 0.000 0.000 0.252 112 Q C 0.104 175.928 176.000 -0.293 0.000 0.926 112 Q CA -0.074 55.550 55.803 -0.299 0.000 0.899 112 Q CB 1.710 30.178 28.738 -0.449 0.000 1.250 112 Q HN -0.049 nan 8.270 nan 0.000 0.441 113 T N 2.490 116.920 114.554 -0.207 0.000 3.375 113 T HA 0.643 4.993 4.350 0.000 0.000 0.363 113 T C 0.095 174.707 174.700 -0.147 0.000 1.837 113 T CA -0.220 61.782 62.100 -0.164 0.000 1.445 113 T CB -0.267 68.536 68.868 -0.107 0.000 1.089 113 T HN 0.379 nan 8.240 nan 0.000 0.722 114 L N 0.000 121.107 121.223 -0.194 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.762 54.840 -0.129 0.000 0.813 114 L CB 0.000 42.012 42.059 -0.078 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502