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 3hov_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 0.000 176.283 176.300 -0.029 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.024 0.000 0.988 1 M CB 0.000 32.591 32.600 -0.016 0.000 1.302 2 N N 1.723 120.403 118.700 -0.035 0.000 2.230 2 N HA 0.301 5.041 4.740 0.000 0.000 0.202 2 N C 0.080 175.554 175.510 -0.060 0.000 1.119 2 N CA 0.484 53.512 53.050 -0.036 0.000 0.851 2 N CB 0.960 39.434 38.487 -0.023 0.000 0.990 2 N HN 0.395 nan 8.380 nan 0.000 0.497 3 A N 2.820 125.595 122.820 -0.074 0.000 2.488 3 A HA 0.291 4.611 4.320 0.000 0.000 0.249 3 A C -1.594 175.924 177.584 -0.109 0.000 1.083 3 A CA -0.748 51.227 52.037 -0.103 0.000 0.768 3 A CB -0.096 18.848 19.000 -0.094 0.000 1.017 3 A HN 0.071 nan 8.150 nan 0.000 0.496 4 P HA 0.231 nan 4.420 nan 0.000 0.276 4 P C -0.904 176.248 177.300 -0.247 0.000 1.244 4 P CA -0.537 62.464 63.100 -0.165 0.000 0.801 4 P CB 0.654 32.275 31.700 -0.133 0.000 1.006 5 D N 1.692 121.852 120.400 -0.400 0.000 2.390 5 D HA 0.027 4.667 4.640 0.000 0.000 0.249 5 D C 1.623 177.520 176.300 -0.672 0.000 1.144 5 D CA -0.133 53.500 54.000 -0.612 0.000 0.880 5 D CB 0.856 40.962 40.800 -1.157 0.000 1.182 5 D HN 0.201 nan 8.370 nan 0.000 0.451 6 R N 2.257 122.522 120.500 -0.392 0.000 2.139 6 R HA -0.170 4.170 4.340 0.000 0.000 0.243 6 R C 1.965 178.049 176.300 -0.359 0.000 1.145 6 R CA 0.927 56.882 56.100 -0.242 0.000 0.976 6 R CB -0.511 29.765 30.300 -0.040 0.000 0.866 6 R HN 0.573 nan 8.270 nan 0.000 0.449 7 F N 0.530 120.277 119.950 -0.339 0.000 2.546 7 F HA 0.055 4.582 4.527 0.000 0.000 0.298 7 F C 1.316 176.578 175.800 -0.898 0.000 1.120 7 F CA 0.327 57.800 58.000 -0.879 0.000 1.456 7 F CB -0.653 38.069 39.000 -0.463 0.000 1.088 7 F HN -0.071 nan 8.300 nan 0.000 0.572 8 E N 0.977 120.771 120.200 -0.676 0.000 2.418 8 E HA -0.061 4.290 4.350 0.000 0.000 0.197 8 E C 2.054 178.508 176.600 -0.242 0.000 1.026 8 E CA 0.434 56.623 56.400 -0.352 0.000 0.862 8 E CB -0.242 29.248 29.700 -0.349 0.000 0.799 8 E HN 0.540 nan 8.360 nan 0.000 0.518 9 L N -0.058 120.991 121.223 -0.290 0.000 2.201 9 L HA -0.137 4.203 4.340 0.000 0.000 0.212 9 L C 1.864 178.790 176.870 0.093 0.000 1.105 9 L CA 1.128 55.945 54.840 -0.038 0.000 0.775 9 L CB -0.134 41.975 42.059 0.084 0.000 0.913 9 L HN 0.280 nan 8.230 nan 0.000 0.440 10 F N -3.031 116.979 119.950 0.101 0.000 2.729 10 F HA 0.309 4.836 4.527 0.000 0.000 0.304 10 F C 0.657 176.515 175.800 0.097 0.000 1.008 10 F CA -0.790 57.268 58.000 0.096 0.000 1.188 10 F CB -0.365 38.687 39.000 0.088 0.000 0.980 10 F HN -0.356 nan 8.300 nan 0.000 0.627 11 L N 3.547 124.812 121.223 0.070 0.000 2.418 11 L HA 0.214 4.554 4.340 0.000 0.000 0.274 11 L C -0.361 176.558 176.870 0.081 0.000 1.135 11 L CA -0.608 54.316 54.840 0.140 0.000 0.870 11 L CB 0.756 42.873 42.059 0.097 0.000 1.154 11 L HN 0.106 nan 8.230 nan 0.000 0.462 12 L N 3.465 124.733 121.223 0.075 0.000 2.477 12 L HA 0.166 4.506 4.340 0.000 0.000 0.272 12 L C 1.030 177.915 176.870 0.026 0.000 1.157 12 L CA 0.709 55.572 54.840 0.038 0.000 0.889 12 L CB 0.759 42.834 42.059 0.026 0.000 1.158 12 L HN 0.645 nan 8.230 nan 0.000 0.473 13 G N 2.877 111.685 108.800 0.012 0.000 2.636 13 G HA2 0.064 4.024 3.960 0.000 0.000 0.246 13 G HA3 0.064 4.024 3.960 0.000 0.000 0.246 13 G C -0.189 174.709 174.900 -0.002 0.000 1.216 13 G CA -0.609 44.497 45.100 0.010 0.000 0.854 13 G HN 0.747 nan 8.290 nan 0.000 0.572 14 E N 0.135 120.335 120.200 -0.001 0.000 3.288 14 E HA 0.106 4.456 4.350 0.000 0.000 0.237 14 E C 1.114 177.704 176.600 -0.016 0.000 0.958 14 E CA 0.687 57.082 56.400 -0.008 0.000 0.947 14 E CB -0.805 28.890 29.700 -0.009 0.000 0.896 14 E HN 1.300 nan 8.360 nan 0.000 0.566 15 G N 4.096 112.887 108.800 -0.015 0.000 2.381 15 G HA2 -0.273 3.687 3.960 0.000 0.000 0.281 15 G HA3 -0.273 3.687 3.960 0.000 0.000 0.281 15 G C -0.524 174.361 174.900 -0.026 0.000 0.984 15 G CA 0.629 45.717 45.100 -0.020 0.000 1.339 15 G HN 0.611 nan 8.290 nan 0.000 0.485 16 E N -0.371 119.814 120.200 -0.026 0.000 2.408 16 E HA 0.699 5.049 4.350 0.000 0.000 0.275 16 E C -0.686 175.892 176.600 -0.037 0.000 0.935 16 E CA -0.948 55.431 56.400 -0.035 0.000 0.775 16 E CB 2.054 31.733 29.700 -0.034 0.000 1.277 16 E HN 0.231 nan 8.360 nan 0.000 0.455 17 S N 0.910 116.579 115.700 -0.052 0.000 2.542 17 S HA 0.239 4.709 4.470 0.000 0.000 0.293 17 S C 0.649 175.198 174.600 -0.085 0.000 1.089 17 S CA -0.918 57.245 58.200 -0.062 0.000 0.961 17 S CB 1.893 65.050 63.200 -0.071 0.000 1.062 17 S HN 0.376 nan 8.310 nan 0.000 0.483 18 K N 0.962 121.312 120.400 -0.083 0.000 2.020 18 K HA -0.026 4.294 4.320 0.000 0.000 0.212 18 K C 0.503 176.962 176.600 -0.236 0.000 1.050 18 K CA 1.438 57.660 56.287 -0.108 0.000 0.929 18 K CB -0.366 32.090 32.500 -0.074 0.000 0.714 18 K HN 0.544 nan 8.250 nan 0.000 0.443 19 L N 0.854 121.914 121.223 -0.272 0.000 2.334 19 L HA 0.357 4.697 4.340 0.000 0.000 0.275 19 L C 0.185 176.910 176.870 -0.242 0.000 1.036 19 L CA -0.637 53.968 54.840 -0.392 0.000 0.807 19 L CB 1.419 43.222 42.059 -0.426 0.000 1.231 19 L HN -0.031 nan 8.230 nan 0.000 0.438 20 K N 3.751 124.010 120.400 -0.235 0.000 2.615 20 K HA 0.484 4.804 4.320 0.000 0.000 0.249 20 K C -1.712 174.814 176.600 -0.124 0.000 0.977 20 K CA -0.396 55.809 56.287 -0.138 0.000 0.833 20 K CB 1.687 34.126 32.500 -0.102 0.000 1.208 20 K HN 0.565 nan 8.250 nan 0.000 0.443 21 I N 3.754 124.268 120.570 -0.093 0.000 2.355 21 I HA 0.263 4.433 4.170 0.000 0.000 0.288 21 I C -0.576 175.522 176.117 -0.032 0.000 0.999 21 I CA -0.601 60.662 61.300 -0.062 0.000 1.163 21 I CB 1.473 39.435 38.000 -0.063 0.000 1.316 21 I HN 0.371 nan 8.210 nan 0.000 0.454 22 D N 8.507 128.900 120.400 -0.012 0.000 2.502 22 D HA 0.288 4.928 4.640 0.000 0.000 0.249 22 D C -2.480 173.827 176.300 0.010 0.000 1.092 22 D CA -1.170 52.829 54.000 -0.002 0.000 0.839 22 D CB 2.620 43.421 40.800 0.002 0.000 1.264 22 D HN 0.228 nan 8.370 nan 0.000 0.511 23 P HA -0.002 nan 4.420 nan 0.000 0.269 23 P C -0.118 177.190 177.300 0.013 0.000 1.252 23 P CA -0.194 62.912 63.100 0.010 0.000 0.780 23 P CB 0.808 32.511 31.700 0.004 0.000 0.829 24 D N 3.598 124.010 120.400 0.021 0.000 2.434 24 D HA -0.013 4.627 4.640 0.000 0.000 0.252 24 D C 1.061 177.363 176.300 0.003 0.000 1.185 24 D CA 0.362 54.371 54.000 0.016 0.000 0.886 24 D CB 0.879 41.692 40.800 0.022 0.000 1.148 24 D HN 0.303 nan 8.370 nan 0.000 0.483 25 T N 1.999 116.553 114.554 -0.001 0.000 3.043 25 T HA -0.059 4.291 4.350 0.000 0.000 0.263 25 T C 1.646 176.339 174.700 -0.012 0.000 1.094 25 T CA 0.162 62.259 62.100 -0.005 0.000 1.127 25 T CB 0.292 69.157 68.868 -0.004 0.000 0.905 25 T HN 0.232 nan 8.240 nan 0.000 0.490 26 K N 2.503 122.891 120.400 -0.019 0.000 2.020 26 K HA 0.174 4.494 4.320 0.000 0.000 0.212 26 K C 1.242 177.820 176.600 -0.037 0.000 1.050 26 K CA 1.289 57.557 56.287 -0.031 0.000 0.929 26 K CB -0.776 31.697 32.500 -0.045 0.000 0.714 26 K HN 0.589 nan 8.250 nan 0.000 0.443 27 A N 1.798 124.592 122.820 -0.043 0.000 2.354 27 A HA 0.539 4.859 4.320 0.000 0.000 0.321 27 A C -2.528 175.045 177.584 -0.019 0.000 1.125 27 A CA -1.611 50.402 52.037 -0.041 0.000 0.799 27 A CB 1.190 20.147 19.000 -0.072 0.000 1.293 27 A HN -0.032 nan 8.150 nan 0.000 0.452 28 P HA 0.112 nan 4.420 nan 0.000 0.279 28 P C -0.391 176.915 177.300 0.010 0.000 1.239 28 P CA -0.119 62.983 63.100 0.002 0.000 0.789 28 P CB 0.628 32.331 31.700 0.005 0.000 0.933 29 N N 0.485 119.193 118.700 0.012 0.000 2.641 29 N HA -0.179 4.561 4.740 0.000 0.000 0.267 29 N C -1.229 174.293 175.510 0.020 0.000 1.087 29 N CA 1.196 54.255 53.050 0.015 0.000 0.731 29 N CB -1.252 37.248 38.487 0.022 0.000 0.886 29 N HN 0.743 nan 8.380 nan 0.000 0.547 30 A N -0.099 122.734 122.820 0.023 0.000 2.589 30 A HA 0.766 5.086 4.320 0.000 0.000 0.296 30 A C -0.838 176.772 177.584 0.043 0.000 1.062 30 A CA -0.360 51.705 52.037 0.047 0.000 0.686 30 A CB 2.030 21.063 19.000 0.054 0.000 1.282 30 A HN 0.197 nan 8.150 nan 0.000 0.404 31 V N 0.134 120.087 119.914 0.065 0.000 3.159 31 V HA 0.680 4.800 4.120 0.000 0.000 0.308 31 V C -0.854 175.296 176.094 0.092 0.000 1.190 31 V CA -0.687 61.648 62.300 0.057 0.000 1.037 31 V CB 2.242 34.084 31.823 0.033 0.000 1.060 31 V HN 0.865 nan 8.190 nan 0.000 0.437 32 V N 3.145 123.106 119.914 0.078 0.000 2.407 32 V HA 0.521 4.641 4.120 0.000 0.000 0.291 32 V C -0.508 175.636 176.094 0.083 0.000 1.018 32 V CA -0.255 62.109 62.300 0.108 0.000 0.842 32 V CB 1.463 33.345 31.823 0.098 0.000 0.996 32 V HN 0.621 nan 8.190 nan 0.000 0.426 33 I N 3.763 124.411 120.570 0.129 0.000 2.339 33 I HA 0.347 4.517 4.170 0.000 0.000 0.290 33 I C 0.331 176.499 176.117 0.085 0.000 0.994 33 I CA -0.128 61.197 61.300 0.042 0.000 1.191 33 I CB 1.803 39.818 38.000 0.025 0.000 1.343 33 I HN 0.448 nan 8.210 nan 0.000 0.458 34 T N 6.708 121.229 114.554 -0.056 0.000 2.733 34 T HA 0.398 4.748 4.350 0.000 0.000 0.294 34 T C -0.397 174.177 174.700 -0.211 0.000 0.956 34 T CA -0.150 61.928 62.100 -0.036 0.000 0.987 34 T CB -0.014 68.833 68.868 -0.034 0.000 0.920 34 T HN 0.101 nan 8.240 nan 0.000 0.470 35 F N 3.302 122.995 119.950 -0.428 0.000 2.390 35 F HA 0.310 4.837 4.527 0.000 0.000 0.361 35 F C 1.055 176.626 175.800 -0.382 0.000 1.124 35 F CA -0.953 56.728 58.000 -0.532 0.000 1.149 35 F CB 0.662 38.974 39.000 -1.147 0.000 1.160 35 F HN 0.336 nan 8.300 nan 0.000 0.501 36 E N 3.895 124.037 120.200 -0.097 0.000 2.301 36 E HA 0.153 4.503 4.350 0.000 0.000 0.275 36 E C 0.011 176.619 176.600 0.013 0.000 1.030 36 E CA -0.395 55.982 56.400 -0.040 0.000 0.852 36 E CB 0.812 30.486 29.700 -0.044 0.000 1.060 36 E HN 0.300 nan 8.360 nan 0.000 0.401 37 K N 1.969 122.398 120.400 0.047 0.000 3.974 37 K HA -0.191 4.130 4.320 0.000 0.000 0.280 37 K C -0.233 176.449 176.600 0.136 0.000 0.949 37 K CA 0.824 57.169 56.287 0.097 0.000 0.817 37 K CB -0.978 31.581 32.500 0.100 0.000 1.535 37 K HN 0.502 nan 8.250 nan 0.000 0.444 38 E N 0.025 120.319 120.200 0.156 0.000 2.439 38 E HA 0.395 4.745 4.350 0.000 0.000 0.279 38 E C -0.177 176.611 176.600 0.314 0.000 1.077 38 E CA -0.381 56.156 56.400 0.227 0.000 0.849 38 E CB 1.669 31.505 29.700 0.226 0.000 1.408 38 E HN 0.354 nan 8.360 nan 0.000 0.457 39 D N -1.456 119.142 120.400 0.330 0.000 3.561 39 D HA 0.164 4.804 4.640 0.000 0.000 0.302 39 D C 0.954 177.233 176.300 -0.034 0.000 1.417 39 D CA -0.215 53.891 54.000 0.176 0.000 0.994 39 D CB 0.034 40.882 40.800 0.079 0.000 1.358 39 D HN 0.364 nan 8.370 nan 0.000 0.626 40 H N 0.159 119.252 119.070 0.038 0.000 2.321 40 H HA -0.039 4.517 4.556 0.000 0.000 0.300 40 H C 1.761 176.976 175.328 -0.187 0.000 1.087 40 H CA 2.232 58.234 56.048 -0.076 0.000 1.319 40 H CB -0.571 29.201 29.762 0.017 0.000 1.379 40 H HN 0.440 nan 8.280 nan 0.000 0.501 41 T N 1.491 116.069 114.554 0.040 0.000 2.653 41 T HA -0.222 4.128 4.350 0.000 0.000 0.267 41 T C 2.248 176.892 174.700 -0.094 0.000 1.037 41 T CA 1.858 63.948 62.100 -0.017 0.000 1.159 41 T CB -0.496 68.383 68.868 0.018 0.000 0.859 41 T HN 0.116 nan 8.240 nan 0.000 0.449 42 L N -0.070 121.095 121.223 -0.097 0.000 2.249 42 L HA 0.300 4.640 4.340 0.000 0.000 0.207 42 L C 2.580 179.199 176.870 -0.418 0.000 1.090 42 L CA 1.154 55.918 54.840 -0.127 0.000 0.802 42 L CB -0.599 41.504 42.059 0.072 0.000 0.947 42 L HN 0.323 nan 8.230 nan 0.000 0.453 43 G N -0.669 107.585 108.800 -0.909 0.000 2.404 43 G HA2 -0.324 3.636 3.960 0.000 0.000 0.214 43 G HA3 -0.324 3.636 3.960 0.000 0.000 0.214 43 G C 1.394 175.348 174.900 -1.577 0.000 1.189 43 G CA 0.794 44.818 45.100 -1.794 0.000 0.789 43 G HN 0.419 nan 8.290 nan 0.000 0.533 44 N N 0.089 118.054 118.700 -1.224 0.000 2.166 44 N HA -0.079 4.661 4.740 0.000 0.000 0.186 44 N C 2.050 177.312 175.510 -0.414 0.000 1.019 44 N CA 0.969 53.607 53.050 -0.687 0.000 0.856 44 N CB -0.288 38.053 38.487 -0.243 0.000 0.993 44 N HN 0.227 nan 8.380 nan 0.000 0.426 45 L N 0.491 121.503 121.223 -0.351 0.000 2.027 45 L HA 0.118 4.458 4.340 0.000 0.000 0.206 45 L C 1.957 178.706 176.870 -0.202 0.000 1.074 45 L CA 1.424 56.134 54.840 -0.216 0.000 0.745 45 L CB -0.503 41.460 42.059 -0.160 0.000 0.898 45 L HN 0.246 nan 8.230 nan 0.000 0.433 46 I N -1.004 119.414 120.570 -0.254 0.000 2.614 46 I HA -0.176 3.994 4.170 0.000 0.000 0.258 46 I C 2.458 178.470 176.117 -0.176 0.000 1.189 46 I CA 0.440 61.634 61.300 -0.176 0.000 1.462 46 I CB -0.398 37.502 38.000 -0.167 0.000 1.092 46 I HN 0.273 nan 8.210 nan 0.000 0.442 47 R N 1.452 121.787 120.500 -0.275 0.000 2.093 47 R HA 0.003 4.343 4.340 0.000 0.000 0.224 47 R C 2.179 178.395 176.300 -0.141 0.000 1.101 47 R CA 1.420 57.397 56.100 -0.205 0.000 0.979 47 R CB -0.314 29.840 30.300 -0.245 0.000 0.877 47 R HN 0.315 nan 8.270 nan 0.000 0.441 48 A N 1.481 124.215 122.820 -0.144 0.000 1.828 48 A HA -0.140 4.180 4.320 0.000 0.000 0.215 48 A C 1.993 179.536 177.584 -0.068 0.000 1.203 48 A CA 1.317 53.297 52.037 -0.095 0.000 0.614 48 A CB -0.643 18.301 19.000 -0.092 0.000 0.844 48 A HN 0.241 nan 8.150 nan 0.000 0.445 49 E N -0.080 120.082 120.200 -0.064 0.000 2.086 49 E HA -0.207 4.143 4.350 0.000 0.000 0.200 49 E C 1.978 178.565 176.600 -0.021 0.000 1.012 49 E CA 1.081 57.461 56.400 -0.034 0.000 0.812 49 E CB -0.551 29.133 29.700 -0.027 0.000 0.743 49 E HN 0.607 nan 8.360 nan 0.000 0.453 50 L N 0.085 121.289 121.223 -0.031 0.000 2.261 50 L HA -0.181 4.159 4.340 0.000 0.000 0.216 50 L C 1.778 178.636 176.870 -0.020 0.000 1.114 50 L CA 0.308 55.137 54.840 -0.017 0.000 0.777 50 L CB -0.067 41.972 42.059 -0.033 0.000 0.910 50 L HN 0.095 nan 8.230 nan 0.000 0.440 51 L N -0.127 121.074 121.223 -0.037 0.000 2.715 51 L HA 0.049 4.389 4.340 0.000 0.000 0.238 51 L C 1.192 178.056 176.870 -0.011 0.000 1.212 51 L CA 0.667 55.486 54.840 -0.035 0.000 1.017 51 L CB -0.756 41.271 42.059 -0.053 0.000 1.269 51 L HN 0.206 nan 8.230 nan 0.000 0.452 52 N N -1.619 117.084 118.700 0.004 0.000 2.594 52 N HA 0.001 4.741 4.740 0.000 0.000 0.237 52 N C 0.182 175.712 175.510 0.033 0.000 1.057 52 N CA -0.015 53.043 53.050 0.014 0.000 0.883 52 N CB 0.153 38.646 38.487 0.009 0.000 1.538 52 N HN 0.182 nan 8.380 nan 0.000 0.451 53 D N 2.915 123.347 120.400 0.053 0.000 2.503 53 D HA -0.100 4.540 4.640 0.000 0.000 0.280 53 D C 0.781 177.139 176.300 0.097 0.000 1.405 53 D CA 0.123 54.179 54.000 0.093 0.000 1.049 53 D CB 0.378 41.270 40.800 0.153 0.000 1.127 53 D HN -0.067 nan 8.370 nan 0.000 0.551 54 R N 2.893 123.433 120.500 0.067 0.000 2.397 54 R HA -0.113 4.227 4.340 0.000 0.000 0.213 54 R C 1.062 177.415 176.300 0.088 0.000 1.102 54 R CA 0.556 56.692 56.100 0.061 0.000 1.040 54 R CB -0.024 30.297 30.300 0.035 0.000 0.844 54 R HN 0.471 nan 8.270 nan 0.000 0.478 55 K N -0.253 120.235 120.400 0.147 0.000 2.387 55 K HA 0.144 4.464 4.320 0.000 0.000 0.198 55 K C -0.164 176.597 176.600 0.268 0.000 1.022 55 K CA 0.012 56.439 56.287 0.234 0.000 1.128 55 K CB 0.954 33.635 32.500 0.301 0.000 0.853 55 K HN -0.176 nan 8.250 nan 0.000 0.523 56 V N 2.551 122.567 119.914 0.169 0.000 2.294 56 V HA 0.120 4.240 4.120 0.000 0.000 0.272 56 V C 1.001 177.151 176.094 0.094 0.000 1.027 56 V CA -0.215 62.147 62.300 0.104 0.000 0.823 56 V CB 0.932 32.794 31.823 0.064 0.000 1.030 56 V HN 0.275 nan 8.190 nan 0.000 0.457 57 L N 4.218 125.510 121.223 0.115 0.000 2.275 57 L HA 0.143 4.483 4.340 0.000 0.000 0.215 57 L C 0.399 177.402 176.870 0.223 0.000 1.119 57 L CA 1.469 56.393 54.840 0.139 0.000 0.790 57 L CB -0.094 42.042 42.059 0.128 0.000 0.919 57 L HN 0.548 nan 8.230 nan 0.000 0.443 58 F N -0.433 119.534 119.950 0.029 0.000 2.672 58 F HA 0.642 5.169 4.527 0.000 0.000 0.311 58 F C -1.502 174.319 175.800 0.036 0.000 1.113 58 F CA -0.900 57.119 58.000 0.031 0.000 0.996 58 F CB 1.381 40.398 39.000 0.029 0.000 1.286 58 F HN -0.318 nan 8.300 nan 0.000 0.441 59 A N 3.723 125.894 122.820 -1.080 0.000 2.518 59 A HA 0.905 5.225 4.320 0.000 0.000 0.295 59 A C -1.857 175.287 177.584 -0.734 0.000 1.052 59 A CA 0.153 51.783 52.037 -0.678 0.000 0.824 59 A CB 0.706 19.545 19.000 -0.269 0.000 1.325 59 A HN 1.979 nan 8.150 nan 0.000 0.394 60 A N 1.295 123.840 122.820 -0.458 0.000 2.588 60 A HA 1.017 5.337 4.320 0.000 0.000 0.290 60 A C -1.221 176.447 177.584 0.140 0.000 1.136 60 A CA -0.144 51.807 52.037 -0.142 0.000 0.681 60 A CB 1.126 20.062 19.000 -0.107 0.000 1.282 60 A HN 2.285 nan 8.150 nan 0.000 0.421 61 Y N -0.538 119.742 120.300 -0.034 0.000 2.592 61 Y HA 0.742 5.292 4.550 0.000 0.000 0.334 61 Y C -1.178 174.734 175.900 0.020 0.000 1.136 61 Y CA -0.869 57.240 58.100 0.014 0.000 1.042 61 Y CB 1.492 39.884 38.460 -0.114 0.000 1.325 61 Y HN 0.913 nan 8.280 nan 0.000 0.457 62 K N 2.006 122.223 120.400 -0.305 0.000 2.523 62 K HA 0.642 4.962 4.320 0.000 0.000 0.257 62 K C -1.732 174.812 176.600 -0.093 0.000 0.932 62 K CA -1.040 55.033 56.287 -0.357 0.000 0.812 62 K CB 2.784 35.208 32.500 -0.127 0.000 1.326 62 K HN 0.913 nan 8.250 nan 0.000 0.433 63 V N 0.463 120.310 119.914 -0.112 0.000 2.320 63 V HA 0.203 4.323 4.120 0.000 0.000 0.265 63 V C 1.124 177.243 176.094 0.041 0.000 1.048 63 V CA -0.437 61.878 62.300 0.025 0.000 0.865 63 V CB 0.787 32.568 31.823 -0.071 0.000 1.043 63 V HN 0.877 nan 8.190 nan 0.000 0.474 64 E N 2.582 122.842 120.200 0.100 0.000 2.149 64 E HA -0.261 4.089 4.350 0.000 0.000 0.215 64 E C 0.583 177.239 176.600 0.094 0.000 1.055 64 E CA 2.697 59.158 56.400 0.102 0.000 0.870 64 E CB -0.107 29.685 29.700 0.154 0.000 0.764 64 E HN 1.069 nan 8.360 nan 0.000 0.463 65 H N -2.363 116.677 119.070 -0.051 0.000 3.112 65 H HA 0.112 4.668 4.556 0.000 0.000 0.347 65 H C -2.141 173.094 175.328 -0.155 0.000 1.188 65 H CA -0.910 55.026 56.048 -0.187 0.000 1.240 65 H CB 2.029 31.572 29.762 -0.365 0.000 1.920 65 H HN -0.249 nan 8.280 nan 0.000 0.535 66 P HA -0.194 nan 4.420 nan 0.000 0.216 66 P C 1.320 178.734 177.300 0.190 0.000 1.153 66 P CA 1.439 64.465 63.100 -0.123 0.000 0.858 66 P CB -0.007 31.588 31.700 -0.176 0.000 0.789 67 F N -1.115 118.846 119.950 0.018 0.000 2.346 67 F HA -0.092 4.435 4.527 0.000 0.000 0.301 67 F C 1.070 176.977 175.800 0.177 0.000 1.070 67 F CA 0.136 58.121 58.000 -0.024 0.000 1.407 67 F CB -0.402 38.396 39.000 -0.336 0.000 1.072 67 F HN -0.163 nan 8.300 nan 0.000 0.543 68 F N -0.126 120.033 119.950 0.348 0.000 2.460 68 F HA 0.496 5.023 4.527 0.000 0.000 0.341 68 F C 0.264 176.143 175.800 0.131 0.000 1.130 68 F CA -1.452 56.656 58.000 0.181 0.000 0.962 68 F CB 1.117 40.202 39.000 0.142 0.000 1.171 68 F HN -0.352 nan 8.300 nan 0.000 0.436 69 A N 6.003 128.993 122.820 0.284 0.000 2.785 69 A HA 0.488 4.808 4.320 0.000 0.000 0.294 69 A C 0.096 177.782 177.584 0.170 0.000 1.597 69 A CA -0.042 52.111 52.037 0.194 0.000 1.283 69 A CB -0.641 18.448 19.000 0.149 0.000 1.088 69 A HN 0.949 nan 8.150 nan 0.000 0.568 70 R N 0.501 121.119 120.500 0.197 0.000 2.825 70 R HA 0.611 4.951 4.340 0.000 0.000 0.274 70 R C -1.296 175.145 176.300 0.235 0.000 1.026 70 R CA -0.832 55.350 56.100 0.136 0.000 0.867 70 R CB 0.536 30.884 30.300 0.081 0.000 1.268 70 R HN 0.826 nan 8.270 nan 0.000 0.491 71 F N -1.073 118.981 119.950 0.172 0.000 2.645 71 F HA 0.666 5.193 4.527 0.000 0.000 0.310 71 F C -1.427 174.517 175.800 0.241 0.000 1.102 71 F CA -1.251 56.850 58.000 0.168 0.000 0.952 71 F CB 1.934 41.039 39.000 0.175 0.000 1.326 71 F HN 0.417 nan 8.300 nan 0.000 0.456 72 K N 2.161 122.845 120.400 0.472 0.000 2.159 72 K HA 0.657 4.977 4.320 0.000 0.000 0.266 72 K C -1.731 175.176 176.600 0.510 0.000 0.975 72 K CA -0.953 55.564 56.287 0.384 0.000 0.865 72 K CB 2.335 34.975 32.500 0.232 0.000 1.087 72 K HN 0.723 nan 8.250 nan 0.000 0.446 73 L N 3.071 124.596 121.223 0.504 0.000 2.325 73 L HA 0.397 4.737 4.340 0.000 0.000 0.281 73 L C -0.809 176.248 176.870 0.312 0.000 1.004 73 L CA -0.339 54.768 54.840 0.445 0.000 0.823 73 L CB 1.337 43.714 42.059 0.530 0.000 1.236 73 L HN 0.522 nan 8.230 nan 0.000 0.415 74 R N 5.643 126.304 120.500 0.269 0.000 2.338 74 R HA 0.695 5.036 4.340 0.000 0.000 0.317 74 R C -1.434 175.011 176.300 0.242 0.000 0.968 74 R CA -0.482 55.789 56.100 0.285 0.000 0.849 74 R CB 0.819 31.371 30.300 0.419 0.000 1.128 74 R HN 0.754 nan 8.270 nan 0.000 0.448 75 I N 3.939 124.634 120.570 0.208 0.000 2.466 75 I HA 0.240 4.410 4.170 0.000 0.000 0.289 75 I C -0.726 175.486 176.117 0.160 0.000 1.026 75 I CA -0.757 60.628 61.300 0.142 0.000 1.078 75 I CB 2.137 40.178 38.000 0.069 0.000 1.249 75 I HN 0.563 nan 8.210 nan 0.000 0.429 76 Q N 5.718 125.636 119.800 0.197 0.000 2.330 76 Q HA 0.654 4.994 4.340 0.000 0.000 0.269 76 Q C -1.177 174.876 176.000 0.088 0.000 1.022 76 Q CA -0.496 55.400 55.803 0.154 0.000 0.796 76 Q CB 2.053 30.928 28.738 0.227 0.000 1.271 76 Q HN 0.755 nan 8.270 nan 0.000 0.450 77 T N -0.020 114.551 114.554 0.027 0.000 2.916 77 T HA 0.580 4.931 4.350 0.000 0.000 0.292 77 T C 0.148 174.892 174.700 0.073 0.000 1.055 77 T CA -0.484 61.626 62.100 0.017 0.000 1.009 77 T CB 1.274 70.033 68.868 -0.181 0.000 1.118 77 T HN 0.698 nan 8.240 nan 0.000 0.497 78 T N -0.065 114.572 114.554 0.139 0.000 2.788 78 T HA 0.219 4.569 4.350 0.000 0.000 0.333 78 T C 0.375 175.153 174.700 0.130 0.000 1.090 78 T CA -0.533 61.645 62.100 0.131 0.000 1.094 78 T CB 0.062 69.016 68.868 0.142 0.000 0.999 78 T HN 0.822 nan 8.240 nan 0.000 0.549 79 E N 0.106 120.363 120.200 0.094 0.000 2.422 79 E HA 0.373 4.723 4.350 0.000 0.000 0.260 79 E C 1.594 178.257 176.600 0.106 0.000 1.108 79 E CA 1.329 57.777 56.400 0.081 0.000 0.943 79 E CB -0.386 29.347 29.700 0.055 0.000 0.961 79 E HN 1.016 nan 8.360 nan 0.000 0.443 80 G N 2.296 111.151 108.800 0.093 0.000 2.435 80 G HA2 -0.364 3.596 3.960 0.000 0.000 0.245 80 G HA3 -0.364 3.596 3.960 0.000 0.000 0.245 80 G C 0.143 175.144 174.900 0.169 0.000 1.073 80 G CA 0.681 45.840 45.100 0.099 0.000 0.638 80 G HN 0.625 nan 8.290 nan 0.000 0.521 81 Y N 2.377 122.690 120.300 0.021 0.000 2.327 81 Y HA 0.490 5.041 4.550 0.000 0.000 0.336 81 Y C -0.158 175.758 175.900 0.027 0.000 1.035 81 Y CA -0.817 57.297 58.100 0.023 0.000 1.165 81 Y CB 0.898 39.374 38.460 0.026 0.000 1.181 81 Y HN 0.217 nan 8.280 nan 0.000 0.494 82 D N 8.612 129.062 120.400 0.083 0.000 2.210 82 D HA 0.134 4.774 4.640 0.000 0.000 0.249 82 D C -1.870 174.218 176.300 -0.354 0.000 1.078 82 D CA -2.279 51.663 54.000 -0.096 0.000 0.875 82 D CB 2.222 43.023 40.800 0.001 0.000 1.175 82 D HN 0.347 nan 8.370 nan 0.000 0.440 83 P HA -0.155 nan 4.420 nan 0.000 0.216 83 P C 0.938 178.142 177.300 -0.160 0.000 1.153 83 P CA 1.153 64.096 63.100 -0.261 0.000 0.848 83 P CB 0.463 32.093 31.700 -0.116 0.000 0.787 84 K N -0.179 120.169 120.400 -0.086 0.000 2.127 84 K HA -0.175 4.146 4.320 0.000 0.000 0.208 84 K C 1.883 178.471 176.600 -0.021 0.000 1.047 84 K CA 1.700 57.966 56.287 -0.036 0.000 0.927 84 K CB -0.572 31.915 32.500 -0.022 0.000 0.716 84 K HN 0.194 nan 8.250 nan 0.000 0.450 85 D N 0.771 121.155 120.400 -0.027 0.000 2.084 85 D HA -0.116 4.524 4.640 0.000 0.000 0.196 85 D C 2.037 178.376 176.300 0.066 0.000 0.985 85 D CA 1.369 55.405 54.000 0.059 0.000 0.826 85 D CB -0.264 40.648 40.800 0.187 0.000 0.978 85 D HN 0.203 nan 8.370 nan 0.000 0.456 86 A N 1.321 124.095 122.820 -0.077 0.000 1.927 86 A HA -0.209 4.111 4.320 0.000 0.000 0.220 86 A C 2.180 179.785 177.584 0.035 0.000 1.185 86 A CA 1.351 53.381 52.037 -0.011 0.000 0.639 86 A CB -0.796 18.059 19.000 -0.242 0.000 0.820 86 A HN 0.255 nan 8.150 nan 0.000 0.451 87 L N -0.199 121.032 121.223 0.014 0.000 2.046 87 L HA -0.160 4.180 4.340 0.000 0.000 0.208 87 L C 2.175 179.086 176.870 0.068 0.000 1.077 87 L CA 2.319 57.194 54.840 0.058 0.000 0.747 87 L CB -0.735 41.369 42.059 0.076 0.000 0.896 87 L HN 0.387 nan 8.230 nan 0.000 0.432 88 K N -0.278 120.158 120.400 0.060 0.000 1.978 88 K HA -0.185 4.135 4.320 0.000 0.000 0.214 88 K C 1.931 178.569 176.600 0.064 0.000 1.049 88 K CA 1.779 58.102 56.287 0.061 0.000 0.939 88 K CB -0.486 32.048 32.500 0.057 0.000 0.721 88 K HN 0.465 nan 8.250 nan 0.000 0.441 89 N N 1.092 119.839 118.700 0.079 0.000 2.018 89 N HA -0.220 4.520 4.740 0.000 0.000 0.196 89 N C 1.940 177.485 175.510 0.058 0.000 1.043 89 N CA 1.672 54.767 53.050 0.074 0.000 0.856 89 N CB -0.533 38.017 38.487 0.104 0.000 1.042 89 N HN 0.231 nan 8.380 nan 0.000 0.423 90 A N 1.047 123.903 122.820 0.060 0.000 1.986 90 A HA -0.189 4.131 4.320 0.000 0.000 0.220 90 A C 2.751 180.353 177.584 0.031 0.000 1.171 90 A CA 1.432 53.493 52.037 0.039 0.000 0.640 90 A CB -1.034 17.986 19.000 0.033 0.000 0.811 90 A HN 0.471 nan 8.150 nan 0.000 0.451 91 C N -0.463 118.863 119.300 0.044 0.000 2.496 91 C HA -0.089 4.371 4.460 0.000 0.000 0.281 91 C C 2.731 177.740 174.990 0.031 0.000 1.250 91 C CA 1.044 60.088 59.018 0.043 0.000 1.717 91 C CB -1.382 26.394 27.740 0.060 0.000 2.082 91 C HN 0.692 nan 8.230 nan 0.000 0.472 92 N N 0.923 119.643 118.700 0.034 0.000 2.036 92 N HA -0.169 4.571 4.740 0.000 0.000 0.195 92 N C 1.899 177.422 175.510 0.020 0.000 1.037 92 N CA 1.828 54.894 53.050 0.026 0.000 0.855 92 N CB -0.948 37.556 38.487 0.028 0.000 1.033 92 N HN 0.532 nan 8.380 nan 0.000 0.423 93 S N 1.144 116.857 115.700 0.022 0.000 2.372 93 S HA -0.137 4.333 4.470 0.000 0.000 0.227 93 S C 2.085 176.690 174.600 0.009 0.000 1.044 93 S CA 0.971 59.181 58.200 0.016 0.000 1.050 93 S CB -0.347 62.863 63.200 0.017 0.000 0.901 93 S HN 0.259 nan 8.310 nan 0.000 0.447 94 I N 1.016 121.590 120.570 0.006 0.000 2.163 94 I HA -0.218 3.952 4.170 0.000 0.000 0.243 94 I C 2.277 178.394 176.117 -0.001 0.000 1.085 94 I CA 1.660 62.958 61.300 -0.003 0.000 1.347 94 I CB -0.438 37.557 38.000 -0.008 0.000 1.044 94 I HN 0.389 nan 8.210 nan 0.000 0.408 95 I N 0.683 121.256 120.570 0.006 0.000 2.099 95 I HA -0.337 3.833 4.170 0.000 0.000 0.239 95 I C 2.280 178.401 176.117 0.006 0.000 1.066 95 I CA 1.441 62.745 61.300 0.006 0.000 1.324 95 I CB -0.739 37.267 38.000 0.011 0.000 1.037 95 I HN 0.317 nan 8.210 nan 0.000 0.401 96 N N 1.437 120.143 118.700 0.009 0.000 2.060 96 N HA -0.217 4.524 4.740 0.000 0.000 0.195 96 N C 1.726 177.242 175.510 0.009 0.000 1.028 96 N CA 1.539 54.595 53.050 0.010 0.000 0.861 96 N CB -0.385 38.109 38.487 0.011 0.000 1.029 96 N HN 0.441 nan 8.380 nan 0.000 0.428 97 K N 0.656 121.060 120.400 0.007 0.000 2.057 97 K HA -0.011 4.309 4.320 0.000 0.000 0.207 97 K C 2.185 178.788 176.600 0.005 0.000 1.049 97 K CA 0.754 57.044 56.287 0.006 0.000 0.931 97 K CB -0.217 32.284 32.500 0.001 0.000 0.714 97 K HN 0.157 nan 8.250 nan 0.000 0.440 98 L N 0.253 121.476 121.223 -0.000 0.000 2.141 98 L HA -0.098 4.242 4.340 0.000 0.000 0.209 98 L C 2.552 179.424 176.870 0.003 0.000 1.094 98 L CA 1.168 56.005 54.840 -0.005 0.000 0.763 98 L CB -0.853 41.198 42.059 -0.013 0.000 0.908 98 L HN 0.349 nan 8.230 nan 0.000 0.437 99 G N -0.102 108.702 108.800 0.007 0.000 2.433 99 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 99 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 99 G C 1.802 176.716 174.900 0.023 0.000 1.186 99 G CA 0.860 45.968 45.100 0.013 0.000 0.779 99 G HN 0.441 nan 8.290 nan 0.000 0.543 100 A N 0.598 123.431 122.820 0.023 0.000 1.873 100 A HA -0.050 4.271 4.320 0.000 0.000 0.218 100 A C 2.448 180.058 177.584 0.043 0.000 1.193 100 A CA 1.709 53.764 52.037 0.030 0.000 0.629 100 A CB -0.717 18.298 19.000 0.024 0.000 0.826 100 A HN 0.400 nan 8.150 nan 0.000 0.447 101 L N -0.401 120.846 121.223 0.039 0.000 2.127 101 L HA -0.238 4.102 4.340 0.000 0.000 0.211 101 L C 2.574 179.495 176.870 0.085 0.000 1.089 101 L CA 2.295 57.168 54.840 0.056 0.000 0.757 101 L CB -0.246 41.830 42.059 0.028 0.000 0.899 101 L HN 0.607 nan 8.230 nan 0.000 0.434 102 K N -1.079 119.356 120.400 0.058 0.000 1.984 102 K HA -0.173 4.147 4.320 0.000 0.000 0.209 102 K C 1.863 178.538 176.600 0.125 0.000 1.046 102 K CA 2.011 58.341 56.287 0.073 0.000 0.934 102 K CB -0.341 32.177 32.500 0.030 0.000 0.717 102 K HN 0.221 nan 8.250 nan 0.000 0.438 103 T N 1.679 116.284 114.554 0.084 0.000 2.570 103 T HA -0.187 4.163 4.350 0.000 0.000 0.266 103 T C 1.611 176.368 174.700 0.095 0.000 1.071 103 T CA 2.121 64.268 62.100 0.077 0.000 1.172 103 T CB -0.754 68.145 68.868 0.052 0.000 0.864 103 T HN 0.370 nan 8.240 nan 0.000 0.421 104 N N 0.725 119.481 118.700 0.093 0.000 2.137 104 N HA -0.086 4.654 4.740 0.000 0.000 0.190 104 N C 1.430 177.013 175.510 0.121 0.000 1.017 104 N CA 1.001 54.105 53.050 0.090 0.000 0.859 104 N CB -0.608 37.929 38.487 0.084 0.000 1.002 104 N HN 0.440 nan 8.380 nan 0.000 0.428 105 F N 1.613 121.588 119.950 0.041 0.000 2.163 105 F HA -0.032 4.495 4.527 0.000 0.000 0.297 105 F C 1.988 177.850 175.800 0.104 0.000 1.094 105 F CA 1.179 59.217 58.000 0.062 0.000 1.290 105 F CB -0.135 38.880 39.000 0.026 0.000 1.017 105 F HN 0.031 nan 8.300 nan 0.000 0.483 106 E N -0.357 119.947 120.200 0.173 0.000 2.058 106 E HA -0.206 4.144 4.350 0.000 0.000 0.194 106 E C 2.106 178.736 176.600 0.050 0.000 0.997 106 E CA 1.853 58.317 56.400 0.107 0.000 0.801 106 E CB -0.528 29.248 29.700 0.127 0.000 0.746 106 E HN 0.366 nan 8.360 nan 0.000 0.450 107 T N 1.384 115.957 114.554 0.031 0.000 2.516 107 T HA -0.207 4.143 4.350 0.000 0.000 0.261 107 T C 1.630 176.312 174.700 -0.031 0.000 1.130 107 T CA 1.476 63.582 62.100 0.009 0.000 1.193 107 T CB -0.338 68.536 68.868 0.010 0.000 0.864 107 T HN 0.154 nan 8.240 nan 0.000 0.410 108 E N 0.153 120.312 120.200 -0.069 0.000 2.169 108 E HA -0.202 4.148 4.350 0.000 0.000 0.202 108 E C 1.867 178.377 176.600 -0.151 0.000 1.016 108 E CA 1.147 57.480 56.400 -0.113 0.000 0.817 108 E CB -0.388 29.230 29.700 -0.137 0.000 0.736 108 E HN 0.694 nan 8.360 nan 0.000 0.462 109 W N 1.811 122.879 121.300 -0.385 0.000 2.409 109 W HA -0.097 4.563 4.660 0.000 0.000 0.299 109 W C 1.467 177.883 176.519 -0.171 0.000 1.203 109 W CA 0.973 58.110 57.345 -0.347 0.000 1.298 109 W CB -0.197 28.986 29.460 -0.462 0.000 1.127 109 W HN 0.051 nan 8.180 nan 0.000 0.528 110 N N 1.470 120.173 118.700 0.005 0.000 2.120 110 N HA -0.150 4.590 4.740 0.000 0.000 0.188 110 N C 1.353 176.777 175.510 -0.144 0.000 1.024 110 N CA 1.550 54.577 53.050 -0.040 0.000 0.852 110 N CB -0.884 37.622 38.487 0.033 0.000 1.003 110 N HN 0.248 nan 8.380 nan 0.000 0.424 111 L N 1.230 122.374 121.223 -0.131 0.000 2.803 111 L HA 0.170 4.511 4.340 0.000 0.000 0.241 111 L C 0.128 176.880 176.870 -0.197 0.000 1.404 111 L CA 0.199 54.961 54.840 -0.131 0.000 1.211 111 L CB -0.525 41.479 42.059 -0.091 0.000 1.585 111 L HN -0.055 nan 8.230 nan 0.000 0.430 112 Q N 0.103 119.729 119.800 -0.289 0.000 2.495 112 Q HA 0.627 4.968 4.340 0.000 0.000 0.287 112 Q C -0.647 175.159 176.000 -0.323 0.000 1.078 112 Q CA -0.440 55.148 55.803 -0.360 0.000 0.793 112 Q CB 2.972 31.342 28.738 -0.614 0.000 1.459 112 Q HN 0.148 nan 8.270 nan 0.000 0.422 113 T N 0.645 115.034 114.554 -0.275 0.000 2.900 113 T HA 0.782 5.132 4.350 0.000 0.000 0.295 113 T C -0.292 174.292 174.700 -0.193 0.000 1.044 113 T CA -0.549 61.431 62.100 -0.200 0.000 0.995 113 T CB 1.309 70.099 68.868 -0.130 0.000 1.072 113 T HN 0.587 nan 8.240 nan 0.000 0.473 114 L N 0.000 121.137 121.223 -0.143 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.782 54.840 -0.096 0.000 0.813 114 L CB 0.000 42.008 42.059 -0.086 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502