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 3k1f_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 0.000 176.271 176.300 -0.048 0.000 1.140 1 M CA 0.000 55.278 55.300 -0.037 0.000 0.988 1 M CB 0.000 32.583 32.600 -0.029 0.000 1.302 2 N N 0.612 119.273 118.700 -0.066 0.000 2.036 2 N HA 0.377 5.117 4.740 0.000 0.000 0.228 2 N C -0.350 175.081 175.510 -0.132 0.000 1.368 2 N CA 0.550 53.548 53.050 -0.087 0.000 0.846 2 N CB 1.382 39.822 38.487 -0.078 0.000 1.145 2 N HN 0.356 nan 8.380 nan 0.000 0.502 3 A N 2.193 124.937 122.820 -0.128 0.000 2.409 3 A HA 0.499 4.819 4.320 0.000 0.000 0.262 3 A C -1.708 175.776 177.584 -0.167 0.000 1.113 3 A CA -0.620 51.320 52.037 -0.162 0.000 0.790 3 A CB -0.143 18.785 19.000 -0.120 0.000 1.046 3 A HN 0.091 nan 8.150 nan 0.000 0.496 4 P HA 0.257 nan 4.420 nan 0.000 0.277 4 P C -0.876 176.276 177.300 -0.245 0.000 1.271 4 P CA -0.663 62.311 63.100 -0.210 0.000 0.795 4 P CB 0.437 32.008 31.700 -0.215 0.000 1.101 5 D N 1.186 121.366 120.400 -0.366 0.000 2.425 5 D HA -0.001 4.639 4.640 0.000 0.000 0.247 5 D C 1.410 177.397 176.300 -0.523 0.000 1.147 5 D CA -0.185 53.472 54.000 -0.573 0.000 0.879 5 D CB 1.044 41.136 40.800 -1.179 0.000 1.179 5 D HN 0.240 nan 8.370 nan 0.000 0.456 6 R N 1.877 122.205 120.500 -0.286 0.000 2.117 6 R HA -0.167 4.173 4.340 0.000 0.000 0.243 6 R C 2.153 178.475 176.300 0.036 0.000 1.143 6 R CA 1.123 57.184 56.100 -0.066 0.000 0.968 6 R CB -0.584 29.744 30.300 0.046 0.000 0.863 6 R HN 0.607 nan 8.270 nan 0.000 0.444 7 F N 0.975 120.939 119.950 0.023 0.000 2.307 7 F HA -0.081 4.447 4.527 0.000 0.000 0.301 7 F C 1.247 176.850 175.800 -0.328 0.000 1.076 7 F CA 0.775 58.627 58.000 -0.248 0.000 1.383 7 F CB -0.894 37.935 39.000 -0.284 0.000 1.055 7 F HN -0.046 nan 8.300 nan 0.000 0.526 8 E N 0.561 120.673 120.200 -0.147 0.000 2.526 8 E HA -0.012 4.338 4.350 0.000 0.000 0.198 8 E C 1.691 178.326 176.600 0.058 0.000 1.091 8 E CA 0.162 56.551 56.400 -0.019 0.000 0.880 8 E CB -0.308 29.328 29.700 -0.106 0.000 0.873 8 E HN 0.528 nan 8.360 nan 0.000 0.527 9 L N -0.745 120.561 121.223 0.138 0.000 2.477 9 L HA 0.020 4.360 4.340 0.000 0.000 0.220 9 L C 1.524 178.607 176.870 0.355 0.000 1.106 9 L CA 0.611 55.599 54.840 0.248 0.000 0.851 9 L CB 0.212 42.443 42.059 0.287 0.000 0.994 9 L HN 0.247 nan 8.230 nan 0.000 0.462 10 F N -4.269 115.753 119.950 0.121 0.000 2.533 10 F HA 0.289 4.816 4.527 0.000 0.000 0.313 10 F C 0.452 176.317 175.800 0.109 0.000 0.834 10 F CA -0.625 57.440 58.000 0.109 0.000 1.061 10 F CB 0.151 39.206 39.000 0.090 0.000 0.915 10 F HN -0.382 nan 8.300 nan 0.000 0.693 11 L N 4.027 124.909 121.223 -0.569 0.000 2.515 11 L HA 0.200 4.540 4.340 0.000 0.000 0.281 11 L C -0.272 176.531 176.870 -0.111 0.000 1.131 11 L CA -0.683 53.933 54.840 -0.372 0.000 0.905 11 L CB 0.825 42.565 42.059 -0.532 0.000 1.246 11 L HN 0.311 nan 8.230 nan 0.000 0.463 12 L N 5.442 126.640 121.223 -0.043 0.000 2.638 12 L HA 0.162 4.502 4.340 0.000 0.000 0.273 12 L C 0.955 177.816 176.870 -0.016 0.000 1.147 12 L CA 0.370 55.208 54.840 -0.003 0.000 0.941 12 L CB 0.229 42.291 42.059 0.006 0.000 1.251 12 L HN 0.519 nan 8.230 nan 0.000 0.479 13 G N 4.305 113.114 108.800 0.015 0.000 2.544 13 G HA2 0.057 4.017 3.960 0.000 0.000 0.242 13 G HA3 0.057 4.017 3.960 0.000 0.000 0.242 13 G C -0.239 174.662 174.900 0.002 0.000 1.247 13 G CA -0.561 44.549 45.100 0.017 0.000 0.840 13 G HN 0.746 nan 8.290 nan 0.000 0.578 14 E N 0.445 120.640 120.200 -0.008 0.000 2.568 14 E HA 0.151 4.501 4.350 0.000 0.000 0.262 14 E C 1.218 177.815 176.600 -0.005 0.000 0.961 14 E CA 1.180 57.573 56.400 -0.012 0.000 0.945 14 E CB 0.175 29.866 29.700 -0.015 0.000 0.924 14 E HN 1.426 nan 8.360 nan 0.000 0.467 15 G N 3.627 112.420 108.800 -0.011 0.000 2.143 15 G HA2 -0.268 3.692 3.960 0.000 0.000 0.249 15 G HA3 -0.268 3.692 3.960 0.000 0.000 0.249 15 G C -0.079 174.812 174.900 -0.014 0.000 0.981 15 G CA 0.543 45.636 45.100 -0.012 0.000 0.665 15 G HN 0.569 nan 8.290 nan 0.000 0.528 16 E N -0.449 119.743 120.200 -0.014 0.000 2.320 16 E HA 0.756 5.106 4.350 0.000 0.000 0.264 16 E C -0.679 175.903 176.600 -0.029 0.000 0.923 16 E CA -0.641 55.748 56.400 -0.018 0.000 0.796 16 E CB 1.947 31.645 29.700 -0.002 0.000 1.262 16 E HN 0.146 nan 8.360 nan 0.000 0.428 17 S N 0.891 116.564 115.700 -0.044 0.000 2.548 17 S HA 0.196 4.666 4.470 0.000 0.000 0.276 17 S C 0.452 175.001 174.600 -0.085 0.000 1.129 17 S CA -0.908 57.255 58.200 -0.061 0.000 0.931 17 S CB 1.659 64.815 63.200 -0.073 0.000 1.068 17 S HN 0.390 nan 8.310 nan 0.000 0.480 18 K N 0.879 121.230 120.400 -0.080 0.000 2.127 18 K HA -0.030 4.291 4.320 0.000 0.000 0.208 18 K C 0.264 176.714 176.600 -0.251 0.000 1.047 18 K CA 1.293 57.520 56.287 -0.100 0.000 0.927 18 K CB -0.225 32.244 32.500 -0.051 0.000 0.716 18 K HN 0.512 nan 8.250 nan 0.000 0.450 19 L N 0.259 121.317 121.223 -0.274 0.000 2.341 19 L HA 0.374 4.714 4.340 0.000 0.000 0.267 19 L C 0.009 176.718 176.870 -0.268 0.000 1.009 19 L CA -0.752 53.843 54.840 -0.408 0.000 0.819 19 L CB 1.910 43.741 42.059 -0.380 0.000 1.323 19 L HN -0.209 nan 8.230 nan 0.000 0.425 20 K N 3.554 123.789 120.400 -0.275 0.000 2.790 20 K HA 0.369 4.689 4.320 0.000 0.000 0.253 20 K C -1.444 175.067 176.600 -0.148 0.000 1.082 20 K CA -0.393 55.793 56.287 -0.168 0.000 1.067 20 K CB 1.146 33.568 32.500 -0.130 0.000 1.284 20 K HN 0.449 nan 8.250 nan 0.000 0.529 21 I N 3.080 123.575 120.570 -0.126 0.000 2.471 21 I HA 0.090 4.260 4.170 0.000 0.000 0.286 21 I C 0.182 176.266 176.117 -0.056 0.000 1.079 21 I CA 0.460 61.708 61.300 -0.088 0.000 1.398 21 I CB 0.596 38.548 38.000 -0.080 0.000 1.403 21 I HN 0.264 nan 8.210 nan 0.000 0.530 22 D N 8.006 128.385 120.400 -0.035 0.000 2.619 22 D HA 0.438 5.078 4.640 0.000 0.000 0.241 22 D C -2.547 173.749 176.300 -0.008 0.000 1.087 22 D CA -1.314 52.673 54.000 -0.021 0.000 0.851 22 D CB 2.061 42.851 40.800 -0.016 0.000 1.474 22 D HN 0.128 nan 8.370 nan 0.000 0.478 23 P HA 0.290 nan 4.420 nan 0.000 0.279 23 P C -0.918 176.384 177.300 0.004 0.000 1.252 23 P CA -0.494 62.605 63.100 -0.001 0.000 0.811 23 P CB 1.014 32.710 31.700 -0.005 0.000 1.035 24 D N -0.657 119.748 120.400 0.009 0.000 2.303 24 D HA 0.227 4.868 4.640 0.000 0.000 0.236 24 D C 1.290 177.589 176.300 -0.002 0.000 1.068 24 D CA -0.265 53.739 54.000 0.006 0.000 0.830 24 D CB 1.069 41.878 40.800 0.015 0.000 1.109 24 D HN 0.302 nan 8.370 nan 0.000 0.496 25 T N 1.421 115.971 114.554 -0.007 0.000 2.612 25 T HA -0.161 4.189 4.350 0.000 0.000 0.259 25 T C 1.706 176.396 174.700 -0.016 0.000 1.065 25 T CA 0.645 62.738 62.100 -0.010 0.000 1.167 25 T CB -0.181 68.681 68.868 -0.011 0.000 0.863 25 T HN 0.238 nan 8.240 nan 0.000 0.407 26 K N 2.450 122.836 120.400 -0.023 0.000 2.144 26 K HA 0.025 4.345 4.320 0.000 0.000 0.209 26 K C 1.155 177.729 176.600 -0.043 0.000 1.047 26 K CA 1.343 57.609 56.287 -0.035 0.000 0.927 26 K CB -0.721 31.751 32.500 -0.046 0.000 0.716 26 K HN 0.661 nan 8.250 nan 0.000 0.454 27 A N 1.765 124.561 122.820 -0.041 0.000 2.386 27 A HA 0.506 4.827 4.320 0.000 0.000 0.311 27 A C -2.628 174.947 177.584 -0.015 0.000 1.068 27 A CA -1.589 50.424 52.037 -0.041 0.000 0.743 27 A CB 1.562 20.519 19.000 -0.072 0.000 1.258 27 A HN -0.130 nan 8.150 nan 0.000 0.429 28 P HA 0.206 nan 4.420 nan 0.000 0.285 28 P C -0.142 177.171 177.300 0.021 0.000 1.259 28 P CA -0.190 62.913 63.100 0.007 0.000 0.794 28 P CB 0.734 32.438 31.700 0.007 0.000 0.940 29 N N 0.273 118.986 118.700 0.023 0.000 2.738 29 N HA -0.181 4.559 4.740 0.000 0.000 0.249 29 N C -1.141 174.395 175.510 0.042 0.000 1.047 29 N CA 0.899 53.968 53.050 0.032 0.000 0.707 29 N CB -1.097 37.418 38.487 0.045 0.000 0.937 29 N HN 0.667 nan 8.380 nan 0.000 0.545 30 A N -0.130 122.711 122.820 0.035 0.000 2.414 30 A HA 0.791 5.111 4.320 0.000 0.000 0.306 30 A C -0.474 177.136 177.584 0.043 0.000 1.054 30 A CA -0.424 51.644 52.037 0.052 0.000 0.724 30 A CB 2.462 21.488 19.000 0.043 0.000 1.267 30 A HN 0.108 nan 8.150 nan 0.000 0.418 31 V N 1.953 121.903 119.914 0.061 0.000 2.760 31 V HA 0.511 4.631 4.120 0.000 0.000 0.309 31 V C -0.716 175.425 176.094 0.078 0.000 1.077 31 V CA -0.510 61.820 62.300 0.049 0.000 0.910 31 V CB 2.318 34.156 31.823 0.025 0.000 1.008 31 V HN 0.980 nan 8.190 nan 0.000 0.424 32 V N 4.287 124.239 119.914 0.063 0.000 2.328 32 V HA 0.614 4.734 4.120 0.000 0.000 0.278 32 V C -0.308 175.819 176.094 0.055 0.000 1.021 32 V CA -0.509 61.839 62.300 0.080 0.000 0.838 32 V CB 0.815 32.678 31.823 0.066 0.000 0.999 32 V HN 0.628 nan 8.190 nan 0.000 0.447 33 I N 3.616 124.241 120.570 0.092 0.000 2.312 33 I HA 0.356 4.526 4.170 0.000 0.000 0.290 33 I C 0.546 176.682 176.117 0.032 0.000 1.008 33 I CA -0.102 61.209 61.300 0.019 0.000 1.226 33 I CB 1.567 39.573 38.000 0.009 0.000 1.371 33 I HN 0.536 nan 8.210 nan 0.000 0.468 34 T N 6.452 120.948 114.554 -0.096 0.000 2.737 34 T HA 0.335 4.685 4.350 0.000 0.000 0.296 34 T C -0.330 174.226 174.700 -0.240 0.000 0.922 34 T CA -0.011 62.033 62.100 -0.093 0.000 1.079 34 T CB -0.179 68.641 68.868 -0.081 0.000 0.892 34 T HN 0.129 nan 8.240 nan 0.000 0.514 35 F N 3.117 122.817 119.950 -0.416 0.000 2.350 35 F HA 0.290 4.817 4.527 0.000 0.000 0.365 35 F C 1.002 176.606 175.800 -0.327 0.000 1.122 35 F CA -0.875 56.790 58.000 -0.559 0.000 1.139 35 F CB 0.710 38.870 39.000 -1.401 0.000 1.220 35 F HN 0.372 nan 8.300 nan 0.000 0.499 36 E N 3.829 123.992 120.200 -0.061 0.000 2.301 36 E HA 0.175 4.525 4.350 0.000 0.000 0.275 36 E C 0.313 176.964 176.600 0.085 0.000 1.030 36 E CA -0.235 56.176 56.400 0.018 0.000 0.852 36 E CB 0.926 30.621 29.700 -0.009 0.000 1.060 36 E HN 0.362 nan 8.360 nan 0.000 0.401 37 K N 1.170 121.648 120.400 0.131 0.000 3.129 37 K HA -0.165 4.155 4.320 0.000 0.000 0.273 37 K C -0.291 176.441 176.600 0.220 0.000 1.123 37 K CA 0.839 57.228 56.287 0.170 0.000 0.800 37 K CB -0.904 31.678 32.500 0.136 0.000 1.238 37 K HN 0.469 nan 8.250 nan 0.000 0.492 38 E N 0.369 120.728 120.200 0.266 0.000 2.429 38 E HA 0.354 4.704 4.350 0.000 0.000 0.276 38 E C 0.203 177.008 176.600 0.342 0.000 0.953 38 E CA -0.541 56.052 56.400 0.323 0.000 0.787 38 E CB 1.766 31.724 29.700 0.429 0.000 1.307 38 E HN 0.188 nan 8.360 nan 0.000 0.458 39 D N -0.821 119.682 120.400 0.171 0.000 2.707 39 D HA 0.175 4.815 4.640 0.000 0.000 0.223 39 D C 0.939 177.061 176.300 -0.297 0.000 1.208 39 D CA -0.277 53.727 54.000 0.006 0.000 1.081 39 D CB 0.071 40.917 40.800 0.078 0.000 1.216 39 D HN 0.388 nan 8.370 nan 0.000 0.633 40 H N -0.541 118.452 119.070 -0.129 0.000 2.546 40 H HA 0.005 4.561 4.556 0.000 0.000 0.277 40 H C 1.470 176.631 175.328 -0.278 0.000 1.004 40 H CA 1.102 57.015 56.048 -0.226 0.000 1.231 40 H CB -0.036 29.692 29.762 -0.056 0.000 1.382 40 H HN 0.366 nan 8.280 nan 0.000 0.580 41 T N 1.034 115.539 114.554 -0.081 0.000 2.665 41 T HA -0.142 4.209 4.350 0.000 0.000 0.268 41 T C 2.106 176.711 174.700 -0.158 0.000 1.035 41 T CA 1.228 63.278 62.100 -0.083 0.000 1.151 41 T CB -0.075 68.776 68.868 -0.028 0.000 0.862 41 T HN 0.102 nan 8.240 nan 0.000 0.438 42 L N -0.289 120.790 121.223 -0.241 0.000 2.269 42 L HA 0.356 4.696 4.340 0.000 0.000 0.200 42 L C 2.671 179.146 176.870 -0.659 0.000 1.069 42 L CA 1.073 55.745 54.840 -0.280 0.000 0.804 42 L CB -1.158 40.895 42.059 -0.010 0.000 0.987 42 L HN 0.292 nan 8.230 nan 0.000 0.468 43 G N 0.067 108.062 108.800 -1.341 0.000 2.721 43 G HA2 -0.466 3.494 3.960 0.000 0.000 0.218 43 G HA3 -0.466 3.494 3.960 0.000 0.000 0.218 43 G C 1.458 175.388 174.900 -1.617 0.000 1.265 43 G CA 1.414 45.245 45.100 -2.115 0.000 0.796 43 G HN 0.421 nan 8.290 nan 0.000 0.620 44 N N 0.188 118.168 118.700 -1.201 0.000 2.060 44 N HA -0.138 4.602 4.740 0.000 0.000 0.195 44 N C 2.125 177.412 175.510 -0.371 0.000 1.028 44 N CA 1.724 54.430 53.050 -0.574 0.000 0.861 44 N CB -0.462 37.902 38.487 -0.206 0.000 1.029 44 N HN 0.253 nan 8.380 nan 0.000 0.428 45 L N 0.442 121.468 121.223 -0.328 0.000 2.017 45 L HA 0.054 4.394 4.340 0.000 0.000 0.208 45 L C 2.072 178.832 176.870 -0.183 0.000 1.073 45 L CA 1.436 56.153 54.840 -0.205 0.000 0.745 45 L CB -0.718 41.242 42.059 -0.164 0.000 0.894 45 L HN 0.295 nan 8.230 nan 0.000 0.432 46 I N -1.110 119.319 120.570 -0.235 0.000 2.179 46 I HA -0.247 3.923 4.170 0.000 0.000 0.242 46 I C 2.688 178.723 176.117 -0.137 0.000 1.088 46 I CA 0.928 62.133 61.300 -0.158 0.000 1.357 46 I CB -0.528 37.372 38.000 -0.167 0.000 1.051 46 I HN 0.250 nan 8.210 nan 0.000 0.409 47 R N 1.463 121.837 120.500 -0.209 0.000 2.082 47 R HA -0.194 4.146 4.340 0.000 0.000 0.234 47 R C 2.302 178.556 176.300 -0.077 0.000 1.136 47 R CA 2.218 58.249 56.100 -0.115 0.000 0.935 47 R CB -0.702 29.556 30.300 -0.070 0.000 0.842 47 R HN 0.398 nan 8.270 nan 0.000 0.430 48 A N 1.142 123.909 122.820 -0.088 0.000 1.933 48 A HA -0.131 4.189 4.320 0.000 0.000 0.218 48 A C 2.037 179.596 177.584 -0.043 0.000 1.175 48 A CA 1.361 53.364 52.037 -0.056 0.000 0.628 48 A CB -0.363 18.603 19.000 -0.057 0.000 0.814 48 A HN 0.331 nan 8.150 nan 0.000 0.444 49 E N -0.077 120.094 120.200 -0.048 0.000 2.110 49 E HA -0.125 4.225 4.350 0.000 0.000 0.193 49 E C 1.960 178.556 176.600 -0.006 0.000 0.988 49 E CA 0.815 57.200 56.400 -0.024 0.000 0.804 49 E CB -0.347 29.339 29.700 -0.023 0.000 0.745 49 E HN 0.671 nan 8.360 nan 0.000 0.458 50 L N 0.233 121.450 121.223 -0.009 0.000 2.191 50 L HA -0.179 4.161 4.340 0.000 0.000 0.212 50 L C 2.041 178.916 176.870 0.008 0.000 1.103 50 L CA 0.316 55.163 54.840 0.012 0.000 0.769 50 L CB -0.186 41.877 42.059 0.008 0.000 0.908 50 L HN 0.106 nan 8.230 nan 0.000 0.438 51 L N -0.402 120.813 121.223 -0.013 0.000 2.551 51 L HA -0.105 4.236 4.340 0.000 0.000 0.228 51 L C 1.985 178.855 176.870 -0.001 0.000 1.153 51 L CA 1.314 56.145 54.840 -0.014 0.000 0.851 51 L CB -1.012 41.032 42.059 -0.026 0.000 0.959 51 L HN 0.331 nan 8.230 nan 0.000 0.451 52 N N -1.385 117.318 118.700 0.005 0.000 2.402 52 N HA -0.063 4.677 4.740 0.000 0.000 0.174 52 N C 0.440 175.959 175.510 0.015 0.000 1.027 52 N CA 0.102 53.156 53.050 0.008 0.000 0.891 52 N CB 0.349 38.840 38.487 0.005 0.000 1.016 52 N HN 0.279 nan 8.380 nan 0.000 0.439 53 D N 1.917 122.335 120.400 0.031 0.000 2.363 53 D HA -0.007 4.633 4.640 0.000 0.000 0.263 53 D C 0.945 177.263 176.300 0.031 0.000 1.258 53 D CA 0.089 54.114 54.000 0.042 0.000 0.907 53 D CB 0.753 41.610 40.800 0.095 0.000 1.107 53 D HN -0.022 nan 8.370 nan 0.000 0.495 54 R N 3.076 123.576 120.500 -0.000 0.000 2.189 54 R HA -0.040 4.300 4.340 0.000 0.000 0.218 54 R C 1.394 177.682 176.300 -0.021 0.000 1.074 54 R CA 0.445 56.541 56.100 -0.008 0.000 0.991 54 R CB 0.213 30.503 30.300 -0.017 0.000 0.883 54 R HN 0.435 nan 8.270 nan 0.000 0.457 55 K N 0.571 120.927 120.400 -0.073 0.000 2.525 55 K HA 0.059 4.380 4.320 0.000 0.000 0.192 55 K C -0.112 176.533 176.600 0.075 0.000 1.029 55 K CA 0.233 56.435 56.287 -0.142 0.000 1.029 55 K CB 0.437 32.579 32.500 -0.597 0.000 0.814 55 K HN -0.096 nan 8.250 nan 0.000 0.503 56 V N 2.070 122.064 119.914 0.132 0.000 2.398 56 V HA 0.114 4.234 4.120 0.000 0.000 0.286 56 V C 1.070 177.238 176.094 0.123 0.000 1.026 56 V CA -0.307 62.098 62.300 0.175 0.000 0.868 56 V CB 1.555 33.477 31.823 0.165 0.000 0.982 56 V HN 0.100 nan 8.190 nan 0.000 0.443 57 L N 3.977 125.287 121.223 0.146 0.000 2.130 57 L HA 0.309 4.649 4.340 0.000 0.000 0.200 57 L C 0.492 177.488 176.870 0.210 0.000 1.075 57 L CA 1.236 56.165 54.840 0.149 0.000 0.768 57 L CB -0.018 42.127 42.059 0.143 0.000 0.933 57 L HN 0.514 nan 8.230 nan 0.000 0.451 58 F N 0.337 120.322 119.950 0.058 0.000 2.551 58 F HA 0.725 5.252 4.527 0.000 0.000 0.316 58 F C -0.882 174.957 175.800 0.064 0.000 1.089 58 F CA -1.009 57.024 58.000 0.054 0.000 0.915 58 F CB 1.697 40.725 39.000 0.047 0.000 1.186 58 F HN -0.182 nan 8.300 nan 0.000 0.456 59 A N 4.312 126.746 122.820 -0.644 0.000 2.485 59 A HA 0.859 5.179 4.320 0.000 0.000 0.285 59 A C -1.795 175.468 177.584 -0.535 0.000 1.045 59 A CA 0.071 51.861 52.037 -0.412 0.000 0.792 59 A CB 0.645 19.559 19.000 -0.144 0.000 1.307 59 A HN 1.655 nan 8.150 nan 0.000 0.406 60 A N 1.654 124.256 122.820 -0.364 0.000 2.547 60 A HA 0.816 5.136 4.320 0.000 0.000 0.297 60 A C -1.161 176.482 177.584 0.097 0.000 1.056 60 A CA -0.468 51.472 52.037 -0.161 0.000 0.688 60 A CB 0.894 19.739 19.000 -0.258 0.000 1.282 60 A HN 2.017 nan 8.150 nan 0.000 0.400 61 Y N 0.401 120.690 120.300 -0.019 0.000 2.485 61 Y HA 0.845 5.395 4.550 0.000 0.000 0.345 61 Y C -0.535 175.400 175.900 0.058 0.000 0.998 61 Y CA -0.910 57.222 58.100 0.054 0.000 1.059 61 Y CB 1.781 40.239 38.460 -0.004 0.000 1.234 61 Y HN 0.741 nan 8.280 nan 0.000 0.461 62 K N 3.558 123.928 120.400 -0.049 0.000 2.507 62 K HA 0.522 4.842 4.320 0.000 0.000 0.251 62 K C -1.605 175.014 176.600 0.032 0.000 0.943 62 K CA -1.061 55.146 56.287 -0.133 0.000 0.794 62 K CB 2.093 34.577 32.500 -0.026 0.000 1.188 62 K HN 0.831 nan 8.250 nan 0.000 0.428 63 V N 2.529 122.426 119.914 -0.028 0.000 2.276 63 V HA 0.157 4.277 4.120 0.000 0.000 0.249 63 V C 1.201 177.360 176.094 0.108 0.000 1.160 63 V CA -0.341 61.999 62.300 0.067 0.000 1.042 63 V CB 0.269 32.087 31.823 -0.010 0.000 1.224 63 V HN 0.918 nan 8.190 nan 0.000 0.496 64 E N 2.144 122.429 120.200 0.141 0.000 2.240 64 E HA -0.307 4.043 4.350 0.000 0.000 0.236 64 E C 0.572 177.311 176.600 0.231 0.000 1.085 64 E CA 2.840 59.328 56.400 0.147 0.000 0.979 64 E CB -0.144 29.624 29.700 0.113 0.000 0.845 64 E HN 1.035 nan 8.360 nan 0.000 0.483 65 H N -1.713 117.478 119.070 0.201 0.000 3.086 65 H HA 0.131 4.687 4.556 0.000 0.000 0.353 65 H C -2.194 173.247 175.328 0.189 0.000 1.134 65 H CA -1.149 55.018 56.048 0.199 0.000 1.248 65 H CB 2.031 31.983 29.762 0.317 0.000 1.878 65 H HN -0.230 nan 8.280 nan 0.000 0.527 66 P HA -0.171 nan 4.420 nan 0.000 0.220 66 P C 1.098 178.319 177.300 -0.133 0.000 1.144 66 P CA 1.349 64.271 63.100 -0.297 0.000 0.800 66 P CB -0.003 31.435 31.700 -0.436 0.000 0.772 67 F N -1.856 117.937 119.950 -0.261 0.000 2.699 67 F HA 0.015 4.542 4.527 0.000 0.000 0.298 67 F C 0.882 176.317 175.800 -0.607 0.000 1.154 67 F CA -0.219 57.544 58.000 -0.395 0.000 1.457 67 F CB -0.161 38.567 39.000 -0.453 0.000 1.106 67 F HN -0.190 nan 8.300 nan 0.000 0.585 68 F N -1.101 119.014 119.950 0.276 0.000 2.522 68 F HA 0.498 5.025 4.527 0.000 0.000 0.324 68 F C 0.598 176.494 175.800 0.159 0.000 1.077 68 F CA -1.126 56.992 58.000 0.197 0.000 0.944 68 F CB 1.251 40.365 39.000 0.190 0.000 1.175 68 F HN -0.351 nan 8.300 nan 0.000 0.468 69 A N 2.268 125.284 122.820 0.326 0.000 2.476 69 A HA 0.209 4.529 4.320 0.000 0.000 0.263 69 A C 0.303 178.042 177.584 0.259 0.000 1.342 69 A CA -0.386 51.803 52.037 0.255 0.000 0.926 69 A CB -0.786 18.345 19.000 0.217 0.000 1.019 69 A HN 0.662 nan 8.150 nan 0.000 0.515 70 R N -0.239 120.427 120.500 0.276 0.000 2.387 70 R HA 0.648 4.988 4.340 0.000 0.000 0.314 70 R C -1.179 175.277 176.300 0.261 0.000 0.958 70 R CA -0.565 55.659 56.100 0.205 0.000 0.846 70 R CB 0.832 31.202 30.300 0.117 0.000 1.147 70 R HN 0.262 nan 8.270 nan 0.000 0.447 71 F N -0.041 119.997 119.950 0.148 0.000 2.507 71 F HA 0.576 5.103 4.527 0.000 0.000 0.325 71 F C -0.905 175.007 175.800 0.188 0.000 1.116 71 F CA -1.301 56.779 58.000 0.133 0.000 0.930 71 F CB 1.986 41.043 39.000 0.096 0.000 1.146 71 F HN 0.409 nan 8.300 nan 0.000 0.447 72 K N 4.370 124.946 120.400 0.292 0.000 2.213 72 K HA 0.590 4.910 4.320 0.000 0.000 0.270 72 K C -1.626 175.163 176.600 0.314 0.000 1.002 72 K CA -0.924 55.492 56.287 0.216 0.000 0.868 72 K CB 1.626 34.208 32.500 0.137 0.000 1.093 72 K HN 0.860 nan 8.250 nan 0.000 0.454 73 L N 4.300 125.712 121.223 0.314 0.000 2.319 73 L HA 0.431 4.771 4.340 0.000 0.000 0.281 73 L C -0.840 176.176 176.870 0.244 0.000 1.005 73 L CA -0.326 54.698 54.840 0.307 0.000 0.828 73 L CB 1.137 43.372 42.059 0.292 0.000 1.227 73 L HN 0.526 nan 8.230 nan 0.000 0.415 74 R N 5.475 126.107 120.500 0.220 0.000 2.393 74 R HA 0.707 5.048 4.340 0.000 0.000 0.310 74 R C -1.407 175.030 176.300 0.228 0.000 0.968 74 R CA -0.571 55.672 56.100 0.238 0.000 0.867 74 R CB 1.023 31.514 30.300 0.318 0.000 1.124 74 R HN 0.734 nan 8.270 nan 0.000 0.450 75 I N 3.356 124.049 120.570 0.206 0.000 2.466 75 I HA 0.257 4.427 4.170 0.000 0.000 0.289 75 I C -0.613 175.619 176.117 0.192 0.000 1.026 75 I CA -0.636 60.769 61.300 0.176 0.000 1.078 75 I CB 2.086 40.151 38.000 0.108 0.000 1.249 75 I HN 0.480 nan 8.210 nan 0.000 0.429 76 Q N 5.515 125.461 119.800 0.243 0.000 2.333 76 Q HA 0.553 4.893 4.340 0.000 0.000 0.268 76 Q C -0.950 175.155 176.000 0.175 0.000 1.007 76 Q CA -0.554 55.364 55.803 0.191 0.000 0.810 76 Q CB 2.053 30.913 28.738 0.204 0.000 1.264 76 Q HN 0.817 nan 8.270 nan 0.000 0.452 77 T N -0.324 114.318 114.554 0.146 0.000 2.940 77 T HA 0.532 4.882 4.350 0.000 0.000 0.288 77 T C 0.265 175.071 174.700 0.177 0.000 1.045 77 T CA -0.660 61.560 62.100 0.200 0.000 1.018 77 T CB 1.334 70.341 68.868 0.231 0.000 1.151 77 T HN 0.609 nan 8.240 nan 0.000 0.529 78 T N -0.278 114.394 114.554 0.198 0.000 2.932 78 T HA 0.251 4.601 4.350 0.000 0.000 0.312 78 T C 0.201 174.980 174.700 0.131 0.000 1.071 78 T CA -0.644 61.529 62.100 0.121 0.000 1.128 78 T CB 0.205 69.108 68.868 0.059 0.000 0.984 78 T HN 0.743 nan 8.240 nan 0.000 0.549 79 E N 1.099 121.348 120.200 0.083 0.000 2.493 79 E HA 0.362 4.712 4.350 0.000 0.000 0.255 79 E C 1.292 177.942 176.600 0.083 0.000 0.999 79 E CA 1.085 57.529 56.400 0.073 0.000 0.934 79 E CB -0.608 29.120 29.700 0.047 0.000 0.940 79 E HN 1.121 nan 8.360 nan 0.000 0.473 80 G N 3.783 112.641 108.800 0.096 0.000 2.131 80 G HA2 -0.281 3.679 3.960 0.000 0.000 0.201 80 G HA3 -0.281 3.679 3.960 0.000 0.000 0.201 80 G C -0.480 174.525 174.900 0.176 0.000 1.000 80 G CA 0.085 45.245 45.100 0.100 0.000 0.680 80 G HN 0.545 nan 8.290 nan 0.000 0.514 81 Y N 0.703 121.015 120.300 0.020 0.000 2.373 81 Y HA 0.550 5.100 4.550 0.000 0.000 0.336 81 Y C -0.806 175.110 175.900 0.025 0.000 0.979 81 Y CA -1.258 56.855 58.100 0.022 0.000 1.080 81 Y CB 1.871 40.346 38.460 0.025 0.000 1.190 81 Y HN 0.081 nan 8.280 nan 0.000 0.446 82 D N 8.213 128.424 120.400 -0.315 0.000 2.317 82 D HA 0.194 4.834 4.640 0.000 0.000 0.252 82 D C -1.664 174.375 176.300 -0.436 0.000 1.174 82 D CA -2.401 51.430 54.000 -0.282 0.000 0.866 82 D CB 1.774 42.474 40.800 -0.166 0.000 1.127 82 D HN 0.332 nan 8.370 nan 0.000 0.467 83 P HA -0.151 nan 4.420 nan 0.000 0.222 83 P C 0.895 178.116 177.300 -0.132 0.000 1.147 83 P CA 0.965 63.964 63.100 -0.168 0.000 0.790 83 P CB 0.521 32.196 31.700 -0.042 0.000 0.780 84 K N 0.251 120.578 120.400 -0.121 0.000 2.002 84 K HA -0.148 4.172 4.320 0.000 0.000 0.209 84 K C 1.767 178.313 176.600 -0.090 0.000 1.048 84 K CA 2.022 58.262 56.287 -0.079 0.000 0.930 84 K CB -0.481 31.978 32.500 -0.069 0.000 0.714 84 K HN 0.089 nan 8.250 nan 0.000 0.438 85 D N 0.209 120.520 120.400 -0.149 0.000 2.219 85 D HA -0.108 4.532 4.640 0.000 0.000 0.205 85 D C 1.656 177.886 176.300 -0.116 0.000 0.970 85 D CA 1.046 54.972 54.000 -0.122 0.000 0.851 85 D CB 0.064 40.790 40.800 -0.123 0.000 0.943 85 D HN 0.260 nan 8.370 nan 0.000 0.488 86 A N 0.311 122.986 122.820 -0.241 0.000 1.897 86 A HA -0.080 4.240 4.320 0.000 0.000 0.215 86 A C 1.996 179.591 177.584 0.018 0.000 1.181 86 A CA 0.715 52.704 52.037 -0.079 0.000 0.620 86 A CB -0.651 18.268 19.000 -0.135 0.000 0.821 86 A HN 0.253 nan 8.150 nan 0.000 0.443 87 L N -0.158 121.067 121.223 0.003 0.000 2.046 87 L HA -0.134 4.206 4.340 0.000 0.000 0.208 87 L C 2.206 179.107 176.870 0.051 0.000 1.077 87 L CA 2.215 57.086 54.840 0.052 0.000 0.747 87 L CB -0.438 41.665 42.059 0.073 0.000 0.896 87 L HN 0.330 nan 8.230 nan 0.000 0.432 88 K N -0.499 119.917 120.400 0.027 0.000 2.002 88 K HA -0.144 4.176 4.320 0.000 0.000 0.209 88 K C 1.961 178.585 176.600 0.041 0.000 1.048 88 K CA 1.670 57.975 56.287 0.030 0.000 0.930 88 K CB -0.315 32.194 32.500 0.015 0.000 0.714 88 K HN 0.370 nan 8.250 nan 0.000 0.438 89 N N 0.812 119.543 118.700 0.053 0.000 2.104 89 N HA -0.165 4.575 4.740 0.000 0.000 0.190 89 N C 1.782 177.326 175.510 0.057 0.000 1.024 89 N CA 1.484 54.574 53.050 0.067 0.000 0.853 89 N CB -0.341 38.210 38.487 0.107 0.000 1.008 89 N HN 0.204 nan 8.380 nan 0.000 0.424 90 A N 0.771 123.626 122.820 0.058 0.000 1.902 90 A HA -0.136 4.184 4.320 0.000 0.000 0.217 90 A C 2.751 180.354 177.584 0.033 0.000 1.181 90 A CA 1.175 53.238 52.037 0.043 0.000 0.623 90 A CB -1.091 17.934 19.000 0.042 0.000 0.818 90 A HN 0.412 nan 8.150 nan 0.000 0.443 91 C N -0.092 119.233 119.300 0.041 0.000 2.413 91 C HA -0.140 4.320 4.460 0.000 0.000 0.277 91 C C 2.765 177.773 174.990 0.030 0.000 1.228 91 C CA 1.353 60.395 59.018 0.039 0.000 1.731 91 C CB -1.421 26.350 27.740 0.053 0.000 2.042 91 C HN 0.675 nan 8.230 nan 0.000 0.468 92 N N 0.581 119.300 118.700 0.030 0.000 2.069 92 N HA -0.132 4.608 4.740 0.000 0.000 0.191 92 N C 1.917 177.439 175.510 0.021 0.000 1.031 92 N CA 1.681 54.746 53.050 0.025 0.000 0.852 92 N CB -0.912 37.591 38.487 0.028 0.000 1.018 92 N HN 0.556 nan 8.380 nan 0.000 0.423 93 S N 1.094 116.808 115.700 0.023 0.000 2.359 93 S HA -0.095 4.375 4.470 0.000 0.000 0.223 93 S C 2.060 176.666 174.600 0.010 0.000 1.039 93 S CA 0.986 59.196 58.200 0.017 0.000 1.042 93 S CB -0.331 62.880 63.200 0.019 0.000 0.915 93 S HN 0.265 nan 8.310 nan 0.000 0.439 94 I N 1.159 121.733 120.570 0.007 0.000 2.127 94 I HA -0.190 3.981 4.170 0.000 0.000 0.241 94 I C 2.317 178.434 176.117 -0.000 0.000 1.075 94 I CA 1.520 62.819 61.300 -0.002 0.000 1.334 94 I CB -0.561 37.434 38.000 -0.008 0.000 1.040 94 I HN 0.307 nan 8.210 nan 0.000 0.405 95 I N 1.081 121.655 120.570 0.006 0.000 2.118 95 I HA -0.332 3.838 4.170 0.000 0.000 0.241 95 I C 2.349 178.470 176.117 0.006 0.000 1.070 95 I CA 1.580 62.884 61.300 0.007 0.000 1.327 95 I CB -0.634 37.373 38.000 0.012 0.000 1.034 95 I HN 0.323 nan 8.210 nan 0.000 0.405 96 N N 0.945 119.651 118.700 0.009 0.000 2.120 96 N HA -0.170 4.570 4.740 0.000 0.000 0.188 96 N C 1.806 177.321 175.510 0.009 0.000 1.024 96 N CA 1.301 54.357 53.050 0.011 0.000 0.852 96 N CB -0.308 38.187 38.487 0.013 0.000 1.003 96 N HN 0.392 nan 8.380 nan 0.000 0.424 97 K N 0.879 121.283 120.400 0.006 0.000 2.009 97 K HA -0.036 4.285 4.320 0.000 0.000 0.210 97 K C 2.194 178.796 176.600 0.002 0.000 1.049 97 K CA 0.935 57.225 56.287 0.004 0.000 0.929 97 K CB -0.253 32.247 32.500 -0.000 0.000 0.714 97 K HN 0.088 nan 8.250 nan 0.000 0.440 98 L N -0.150 121.071 121.223 -0.004 0.000 2.083 98 L HA -0.124 4.216 4.340 0.000 0.000 0.209 98 L C 2.511 179.379 176.870 -0.003 0.000 1.083 98 L CA 1.312 56.145 54.840 -0.011 0.000 0.752 98 L CB -0.745 41.302 42.059 -0.020 0.000 0.899 98 L HN 0.373 nan 8.230 nan 0.000 0.433 99 G N -0.336 108.466 108.800 0.004 0.000 2.418 99 G HA2 -0.249 3.711 3.960 0.000 0.000 0.217 99 G HA3 -0.249 3.711 3.960 0.000 0.000 0.217 99 G C 1.786 176.699 174.900 0.021 0.000 1.158 99 G CA 0.812 45.919 45.100 0.011 0.000 0.771 99 G HN 0.460 nan 8.290 nan 0.000 0.545 100 A N 0.414 123.247 122.820 0.021 0.000 1.902 100 A HA 0.076 4.396 4.320 0.000 0.000 0.217 100 A C 2.399 180.007 177.584 0.040 0.000 1.181 100 A CA 1.504 53.559 52.037 0.029 0.000 0.623 100 A CB -0.484 18.530 19.000 0.023 0.000 0.818 100 A HN 0.386 nan 8.150 nan 0.000 0.443 101 L N -0.431 120.812 121.223 0.033 0.000 2.042 101 L HA -0.203 4.138 4.340 0.000 0.000 0.210 101 L C 2.541 179.455 176.870 0.074 0.000 1.076 101 L CA 2.217 57.084 54.840 0.045 0.000 0.749 101 L CB -0.253 41.814 42.059 0.012 0.000 0.893 101 L HN 0.425 nan 8.230 nan 0.000 0.432 102 K N -1.010 119.418 120.400 0.047 0.000 1.985 102 K HA -0.188 4.132 4.320 0.000 0.000 0.210 102 K C 1.906 178.576 176.600 0.118 0.000 1.047 102 K CA 2.203 58.526 56.287 0.061 0.000 0.932 102 K CB -0.295 32.218 32.500 0.022 0.000 0.716 102 K HN 0.364 nan 8.250 nan 0.000 0.439 103 T N 1.013 115.617 114.554 0.084 0.000 2.720 103 T HA -0.129 4.221 4.350 0.000 0.000 0.268 103 T C 1.605 176.363 174.700 0.097 0.000 1.037 103 T CA 1.922 64.071 62.100 0.082 0.000 1.144 103 T CB -0.435 68.465 68.868 0.054 0.000 0.864 103 T HN 0.390 nan 8.240 nan 0.000 0.444 104 N N 0.399 119.160 118.700 0.101 0.000 2.084 104 N HA -0.010 4.730 4.740 0.000 0.000 0.190 104 N C 1.527 177.117 175.510 0.134 0.000 1.030 104 N CA 1.016 54.124 53.050 0.098 0.000 0.849 104 N CB -0.337 38.202 38.487 0.086 0.000 1.012 104 N HN 0.334 nan 8.380 nan 0.000 0.423 105 F N 1.919 121.894 119.950 0.042 0.000 2.134 105 F HA -0.122 4.405 4.527 0.000 0.000 0.299 105 F C 2.059 177.925 175.800 0.111 0.000 1.097 105 F CA 1.376 59.412 58.000 0.060 0.000 1.264 105 F CB -0.068 38.943 39.000 0.018 0.000 1.001 105 F HN 0.057 nan 8.300 nan 0.000 0.479 106 E N -0.412 119.918 120.200 0.216 0.000 2.051 106 E HA -0.193 4.157 4.350 0.000 0.000 0.192 106 E C 2.102 178.760 176.600 0.097 0.000 0.991 106 E CA 2.014 58.513 56.400 0.164 0.000 0.799 106 E CB -0.317 29.481 29.700 0.162 0.000 0.748 106 E HN 0.418 nan 8.360 nan 0.000 0.449 107 T N 1.301 115.892 114.554 0.061 0.000 2.652 107 T HA -0.163 4.187 4.350 0.000 0.000 0.267 107 T C 1.563 176.255 174.700 -0.013 0.000 1.039 107 T CA 1.132 63.248 62.100 0.027 0.000 1.153 107 T CB -0.212 68.672 68.868 0.027 0.000 0.863 107 T HN 0.142 nan 8.240 nan 0.000 0.428 108 E N -0.169 120.008 120.200 -0.038 0.000 2.338 108 E HA -0.086 4.265 4.350 0.000 0.000 0.197 108 E C 1.768 178.295 176.600 -0.122 0.000 1.007 108 E CA 0.377 56.729 56.400 -0.080 0.000 0.849 108 E CB -0.083 29.577 29.700 -0.068 0.000 0.774 108 E HN 0.697 nan 8.360 nan 0.000 0.506 109 W N 1.675 122.766 121.300 -0.348 0.000 2.525 109 W HA -0.032 4.628 4.660 0.000 0.000 0.288 109 W C 1.316 177.734 176.519 -0.168 0.000 1.200 109 W CA 0.418 57.559 57.345 -0.340 0.000 1.349 109 W CB 0.024 29.213 29.460 -0.450 0.000 1.102 109 W HN 0.001 nan 8.180 nan 0.000 0.558 110 N N 1.523 120.149 118.700 -0.124 0.000 2.084 110 N HA -0.177 4.563 4.740 0.000 0.000 0.190 110 N C 1.876 177.265 175.510 -0.201 0.000 1.030 110 N CA 1.672 54.627 53.050 -0.158 0.000 0.849 110 N CB -1.001 37.466 38.487 -0.033 0.000 1.012 110 N HN 0.245 nan 8.380 nan 0.000 0.423 111 L N 0.755 121.887 121.223 -0.151 0.000 2.349 111 L HA -0.112 4.228 4.340 0.000 0.000 0.220 111 L C 0.701 177.461 176.870 -0.184 0.000 1.130 111 L CA 0.870 55.630 54.840 -0.134 0.000 0.791 111 L CB -0.130 41.874 42.059 -0.092 0.000 0.918 111 L HN 0.073 nan 8.230 nan 0.000 0.444 112 Q N 0.391 120.015 119.800 -0.293 0.000 2.360 112 Q HA 0.202 4.542 4.340 0.000 0.000 0.254 112 Q C -0.440 175.314 176.000 -0.411 0.000 0.975 112 Q CA 0.143 55.737 55.803 -0.349 0.000 0.912 112 Q CB 1.309 29.800 28.738 -0.413 0.000 1.212 112 Q HN 0.014 nan 8.270 nan 0.000 0.452 113 T N 4.190 118.586 114.554 -0.265 0.000 3.378 113 T HA 0.439 4.790 4.350 0.000 0.000 0.359 113 T C 0.079 174.677 174.700 -0.169 0.000 1.815 113 T CA -0.119 61.850 62.100 -0.218 0.000 1.509 113 T CB 0.079 68.855 68.868 -0.154 0.000 1.049 113 T HN 0.324 nan 8.240 nan 0.000 0.705 114 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 54.766 54.840 -0.123 0.000 0.813 114 L CB 0.000 41.994 42.059 -0.108 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502