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 1xbf_1_C DATA FIRST_RESID 3 DATA SEQUENCE GVIEYSLKTS NDDQFIDITN LVKKAVDESG VSDGXAVVFC PHTTAGITIN DATA SEQUENCE ENADPDVTRD ILVNLDKVFP XXXXXXXXXX NSHAHIKASL XGSSQQIIIE DATA SEQUENCE NGKLKLGTWQ GIYFTEFDGP RDRKVFVKII L 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 3 G C 0.000 174.853 174.900 -0.079 0.000 0.946 3 G CA 0.000 45.056 45.100 -0.074 0.000 0.502 4 V N 0.346 120.196 119.914 -0.106 0.000 2.789 4 V HA 0.541 4.662 4.120 0.001 0.000 0.311 4 V C -0.390 175.640 176.094 -0.106 0.000 1.073 4 V CA -0.615 61.624 62.300 -0.101 0.000 0.921 4 V CB 1.926 33.647 31.823 -0.170 0.000 1.009 4 V HN 0.661 nan 8.190 nan 0.000 0.426 5 I N 3.205 123.729 120.570 -0.077 0.000 2.304 5 I HA 0.368 4.539 4.170 0.001 0.000 0.291 5 I C 0.136 176.150 176.117 -0.172 0.000 1.018 5 I CA -0.164 61.035 61.300 -0.168 0.000 1.260 5 I CB 0.886 38.770 38.000 -0.192 0.000 1.390 5 I HN 0.654 nan 8.210 nan 0.000 0.475 6 E N 6.351 126.444 120.200 -0.179 0.000 2.156 6 E HA 0.402 4.752 4.350 0.001 0.000 0.279 6 E C -1.469 175.033 176.600 -0.163 0.000 0.965 6 E CA -0.587 55.824 56.400 0.019 0.000 0.789 6 E CB 1.627 31.410 29.700 0.138 0.000 1.098 6 E HN 0.390 nan 8.360 nan 0.000 0.397 7 Y N 0.560 120.942 120.300 0.137 0.000 2.446 7 Y HA 0.285 4.836 4.550 0.001 0.000 0.338 7 Y C 0.326 176.241 175.900 0.025 0.000 1.055 7 Y CA -0.777 57.356 58.100 0.055 0.000 1.101 7 Y CB 2.006 40.478 38.460 0.021 0.000 1.221 7 Y HN 0.345 nan 8.280 nan 0.000 0.460 8 S N 3.544 119.343 115.700 0.165 0.000 2.489 8 S HA 0.679 5.149 4.470 0.001 0.000 0.291 8 S C -0.900 173.684 174.600 -0.025 0.000 1.151 8 S CA -0.750 57.483 58.200 0.056 0.000 1.082 8 S CB 0.488 63.716 63.200 0.047 0.000 1.019 8 S HN 0.409 nan 8.310 nan 0.000 0.492 9 L N 2.751 123.892 121.223 -0.136 0.000 2.385 9 L HA 0.560 4.901 4.340 0.001 0.000 0.273 9 L C -0.777 175.973 176.870 -0.200 0.000 0.990 9 L CA -1.006 53.700 54.840 -0.223 0.000 0.821 9 L CB 1.698 43.482 42.059 -0.459 0.000 1.279 9 L HN 0.333 nan 8.230 nan 0.000 0.412 10 K N 2.120 122.437 120.400 -0.139 0.000 2.299 10 K HA 0.349 4.670 4.320 0.001 0.000 0.268 10 K C -0.014 176.523 176.600 -0.105 0.000 1.075 10 K CA -0.334 55.891 56.287 -0.103 0.000 0.936 10 K CB 1.203 33.667 32.500 -0.060 0.000 1.228 10 K HN 0.630 nan 8.250 nan 0.000 0.454 11 T N -1.175 113.310 114.554 -0.114 0.000 2.874 11 T HA 0.421 4.772 4.350 0.001 0.000 0.281 11 T C 0.904 175.580 174.700 -0.041 0.000 0.994 11 T CA -0.269 61.784 62.100 -0.079 0.000 1.015 11 T CB 1.402 70.229 68.868 -0.069 0.000 1.028 11 T HN 0.400 nan 8.240 nan 0.000 0.523 12 S N 0.619 116.307 115.700 -0.020 0.000 3.627 12 S HA 0.247 4.717 4.470 0.001 0.000 0.190 12 S C 0.723 175.326 174.600 0.006 0.000 0.880 12 S CA -0.513 57.683 58.200 -0.007 0.000 0.894 12 S CB -0.715 62.482 63.200 -0.005 0.000 1.095 12 S HN 0.842 nan 8.310 nan 0.000 0.655 13 N N 2.230 120.937 118.700 0.012 0.000 2.381 13 N HA -0.013 4.727 4.740 0.001 0.000 0.241 13 N C 0.548 176.079 175.510 0.034 0.000 1.279 13 N CA 0.721 53.785 53.050 0.023 0.000 0.896 13 N CB 1.031 39.532 38.487 0.024 0.000 1.118 13 N HN 0.397 nan 8.380 nan 0.000 0.438 14 D N 0.610 121.040 120.400 0.050 0.000 2.133 14 D HA -0.171 4.470 4.640 0.001 0.000 0.192 14 D C -0.698 175.659 176.300 0.094 0.000 1.001 14 D CA 1.740 55.788 54.000 0.080 0.000 0.844 14 D CB 0.086 40.946 40.800 0.100 0.000 0.944 14 D HN 0.521 nan 8.370 nan 0.000 0.447 15 D N -0.342 120.112 120.400 0.090 0.000 2.498 15 D HA 0.424 5.064 4.640 0.001 0.000 0.247 15 D C -0.799 175.529 176.300 0.046 0.000 1.070 15 D CA -0.396 53.657 54.000 0.088 0.000 0.842 15 D CB 1.746 42.654 40.800 0.180 0.000 1.361 15 D HN 0.221 nan 8.370 nan 0.000 0.484 16 Q N 1.287 121.096 119.800 0.015 0.000 2.468 16 Q HA 0.290 4.631 4.340 0.001 0.000 0.263 16 Q C -1.931 174.159 176.000 0.150 0.000 0.979 16 Q CA -0.620 55.228 55.803 0.075 0.000 0.932 16 Q CB 1.177 29.944 28.738 0.048 0.000 1.462 16 Q HN 0.216 nan 8.270 nan 0.000 0.403 17 F N 3.830 123.708 119.950 -0.120 0.000 2.361 17 F HA 0.500 5.027 4.527 0.001 0.000 0.364 17 F C -0.110 175.753 175.800 0.105 0.000 1.120 17 F CA -0.654 57.276 58.000 -0.117 0.000 1.102 17 F CB 0.983 39.730 39.000 -0.422 0.000 1.183 17 F HN 0.387 nan 8.300 nan 0.000 0.476 18 I N 3.682 124.431 120.570 0.298 0.000 2.312 18 I HA 0.148 4.319 4.170 0.001 0.000 0.290 18 I C 0.022 176.302 176.117 0.272 0.000 1.008 18 I CA -0.692 60.753 61.300 0.242 0.000 1.226 18 I CB 0.959 39.015 38.000 0.093 0.000 1.371 18 I HN 0.352 nan 8.210 nan 0.000 0.468 19 D N 7.996 128.517 120.400 0.202 0.000 2.346 19 D HA 0.130 4.770 4.640 0.001 0.000 0.260 19 D C 0.608 176.837 176.300 -0.118 0.000 1.252 19 D CA 0.050 53.991 54.000 -0.098 0.000 0.895 19 D CB 0.895 41.622 40.800 -0.121 0.000 1.097 19 D HN 0.556 nan 8.370 nan 0.000 0.489 20 I N 0.746 121.225 120.570 -0.152 0.000 3.877 20 I HA 0.128 4.298 4.170 0.001 0.000 0.332 20 I C 1.104 177.121 176.117 -0.166 0.000 1.525 20 I CA -0.550 60.658 61.300 -0.153 0.000 1.146 20 I CB 0.335 38.267 38.000 -0.113 0.000 1.137 20 I HN -0.012 nan 8.210 nan 0.000 0.424 21 T N 1.245 115.692 114.554 -0.180 0.000 2.720 21 T HA -0.169 4.182 4.350 0.001 0.000 0.268 21 T C 1.602 176.231 174.700 -0.118 0.000 1.037 21 T CA 2.425 64.438 62.100 -0.145 0.000 1.144 21 T CB -0.512 68.264 68.868 -0.153 0.000 0.864 21 T HN 0.585 nan 8.240 nan 0.000 0.444 22 N N 0.459 119.082 118.700 -0.127 0.000 2.188 22 N HA -0.030 4.711 4.740 0.001 0.000 0.184 22 N C 1.556 176.979 175.510 -0.146 0.000 1.018 22 N CA 0.535 53.518 53.050 -0.111 0.000 0.858 22 N CB -0.180 38.247 38.487 -0.099 0.000 0.989 22 N HN 0.115 nan 8.380 nan 0.000 0.426 23 L N 0.694 121.764 121.223 -0.255 0.000 2.042 23 L HA -0.137 4.204 4.340 0.001 0.000 0.210 23 L C 2.154 178.880 176.870 -0.240 0.000 1.076 23 L CA 1.208 55.752 54.840 -0.494 0.000 0.749 23 L CB -0.702 40.820 42.059 -0.895 0.000 0.893 23 L HN 0.041 nan 8.230 nan 0.000 0.432 24 V N -0.827 119.016 119.914 -0.118 0.000 2.307 24 V HA -0.281 3.840 4.120 0.001 0.000 0.245 24 V C 2.440 178.551 176.094 0.029 0.000 1.045 24 V CA 1.576 63.883 62.300 0.013 0.000 1.024 24 V CB -0.611 31.213 31.823 0.003 0.000 0.651 24 V HN 0.419 nan 8.190 nan 0.000 0.449 25 K N 0.227 120.621 120.400 -0.011 0.000 2.097 25 K HA -0.235 4.085 4.320 0.001 0.000 0.206 25 K C 2.260 178.873 176.600 0.022 0.000 1.049 25 K CA 1.587 57.873 56.287 -0.001 0.000 0.933 25 K CB -0.216 32.270 32.500 -0.023 0.000 0.717 25 K HN 0.416 nan 8.250 nan 0.000 0.442 26 K N 1.038 121.455 120.400 0.027 0.000 2.026 26 K HA -0.153 4.168 4.320 0.001 0.000 0.208 26 K C 2.098 178.768 176.600 0.117 0.000 1.048 26 K CA 1.417 57.745 56.287 0.069 0.000 0.929 26 K CB -0.130 32.419 32.500 0.082 0.000 0.713 26 K HN 0.111 nan 8.250 nan 0.000 0.439 27 A N 0.669 123.592 122.820 0.172 0.000 1.969 27 A HA -0.072 4.249 4.320 0.001 0.000 0.218 27 A C 2.204 179.838 177.584 0.084 0.000 1.169 27 A CA 1.470 53.601 52.037 0.156 0.000 0.635 27 A CB -0.469 18.659 19.000 0.213 0.000 0.810 27 A HN 0.190 nan 8.150 nan 0.000 0.445 28 V N 0.667 120.622 119.914 0.067 0.000 2.270 28 V HA -0.229 3.892 4.120 0.001 0.000 0.245 28 V C 2.149 178.261 176.094 0.031 0.000 1.043 28 V CA 2.224 64.549 62.300 0.042 0.000 1.014 28 V CB -0.807 31.034 31.823 0.030 0.000 0.645 28 V HN 0.493 nan 8.190 nan 0.000 0.447 29 D N -0.273 120.145 120.400 0.030 0.000 2.149 29 D HA -0.201 4.440 4.640 0.001 0.000 0.198 29 D C 2.154 178.467 176.300 0.022 0.000 0.990 29 D CA 1.433 55.446 54.000 0.021 0.000 0.839 29 D CB -0.170 40.642 40.800 0.019 0.000 0.948 29 D HN 0.591 nan 8.370 nan 0.000 0.460 30 E N 0.587 120.806 120.200 0.031 0.000 2.208 30 E HA -0.126 4.224 4.350 0.001 0.000 0.193 30 E C 1.922 178.531 176.600 0.016 0.000 0.988 30 E CA 0.930 57.345 56.400 0.025 0.000 0.828 30 E CB 0.188 29.908 29.700 0.033 0.000 0.763 30 E HN 0.221 nan 8.360 nan 0.000 0.478 31 S N -1.012 114.699 115.700 0.019 0.000 2.406 31 S HA 0.017 4.488 4.470 0.001 0.000 0.228 31 S C 1.800 176.404 174.600 0.008 0.000 1.020 31 S CA 1.158 59.365 58.200 0.012 0.000 0.965 31 S CB -0.028 63.182 63.200 0.017 0.000 0.798 31 S HN 0.488 nan 8.310 nan 0.000 0.488 32 G N 0.642 109.448 108.800 0.009 0.000 2.241 32 G HA2 -0.302 3.659 3.960 0.001 0.000 0.244 32 G HA3 -0.302 3.659 3.960 0.001 0.000 0.244 32 G C 0.394 175.297 174.900 0.005 0.000 0.998 32 G CA 0.401 45.505 45.100 0.006 0.000 0.621 32 G HN 1.694 nan 8.290 nan 0.000 0.519 33 V N -0.577 119.342 119.914 0.007 0.000 3.178 33 V HA 0.682 4.803 4.120 0.001 0.000 0.306 33 V C 1.246 177.343 176.094 0.006 0.000 1.107 33 V CA 1.551 63.855 62.300 0.007 0.000 1.195 33 V CB 1.453 33.281 31.823 0.009 0.000 0.993 33 V HN 0.848 nan 8.190 nan 0.000 0.493 34 S N 0.739 116.442 115.700 0.005 0.000 2.599 34 S HA 0.262 4.732 4.470 0.001 0.000 0.236 34 S C 0.093 174.696 174.600 0.005 0.000 1.077 34 S CA 0.401 58.603 58.200 0.004 0.000 0.906 34 S CB -0.077 63.125 63.200 0.002 0.000 0.804 34 S HN 1.003 nan 8.310 nan 0.000 0.497 35 D N -0.257 120.147 120.400 0.005 0.000 2.788 35 D HA 0.680 5.321 4.640 0.001 0.000 0.247 35 D C -0.265 176.039 176.300 0.008 0.000 1.236 35 D CA 0.036 54.040 54.000 0.006 0.000 0.898 35 D CB 1.717 42.520 40.800 0.005 0.000 1.401 35 D HN 0.428 nan 8.370 nan 0.000 0.549 39 V N 2.796 122.762 119.914 0.086 0.000 2.370 39 V HA 0.517 4.637 4.120 0.001 0.000 0.279 39 V C -0.033 176.155 176.094 0.156 0.000 1.029 39 V CA -0.542 61.825 62.300 0.112 0.000 0.870 39 V CB 1.546 33.436 31.823 0.112 0.000 0.984 39 V HN 0.725 nan 8.190 nan 0.000 0.451 40 V N 6.141 126.149 119.914 0.156 0.000 2.347 40 V HA 0.465 4.585 4.120 0.001 0.000 0.280 40 V C -0.601 175.622 176.094 0.216 0.000 1.021 40 V CA -0.451 61.955 62.300 0.177 0.000 0.847 40 V CB 1.282 33.172 31.823 0.111 0.000 0.990 40 V HN 0.701 nan 8.190 nan 0.000 0.444 41 F N 5.222 125.225 119.950 0.088 0.000 2.507 41 F HA 0.631 5.159 4.527 0.001 0.000 0.325 41 F C -0.105 175.639 175.800 -0.092 0.000 1.116 41 F CA -0.687 57.335 58.000 0.037 0.000 0.930 41 F CB 1.389 40.467 39.000 0.129 0.000 1.146 41 F HN 0.563 nan 8.300 nan 0.000 0.447 42 C N 9.352 128.290 119.300 -0.602 0.000 2.264 42 C HA 0.545 5.005 4.460 0.001 0.000 0.324 42 C C -1.789 172.829 174.990 -0.620 0.000 1.267 42 C CA -1.975 56.789 59.018 -0.423 0.000 1.618 42 C CB 0.455 27.969 27.740 -0.377 0.000 2.278 42 C HN 0.704 nan 8.230 nan 0.000 0.499 43 P HA 0.177 nan 4.420 nan 0.000 0.244 43 P C -0.662 176.339 177.300 -0.499 0.000 1.632 43 P CA 0.362 63.280 63.100 -0.303 0.000 0.944 43 P CB -0.390 31.136 31.700 -0.290 0.000 1.569 44 H N -1.280 117.728 119.070 -0.102 0.000 2.572 44 H HA 0.289 4.846 4.556 0.001 0.000 0.359 44 H C 1.435 176.706 175.328 -0.096 0.000 1.134 44 H CA -0.394 55.620 56.048 -0.057 0.000 1.187 44 H CB 1.584 31.330 29.762 -0.027 0.000 1.597 44 H HN -0.202 nan 8.280 nan 0.000 0.524 45 T N -2.327 112.265 114.554 0.062 0.000 3.100 45 T HA -0.060 4.290 4.350 0.001 0.000 0.253 45 T C 1.110 175.735 174.700 -0.125 0.000 1.118 45 T CA 0.781 62.897 62.100 0.027 0.000 1.058 45 T CB -0.217 68.757 68.868 0.176 0.000 0.953 45 T HN 0.706 nan 8.240 nan 0.000 0.515 46 T N -1.206 113.246 114.554 -0.171 0.000 3.228 46 T HA 0.767 5.118 4.350 0.001 0.000 0.278 46 T C 0.175 174.829 174.700 -0.076 0.000 1.014 46 T CA -0.153 61.788 62.100 -0.265 0.000 0.904 46 T CB 0.171 68.831 68.868 -0.347 0.000 1.110 46 T HN 0.576 nan 8.240 nan 0.000 0.541 47 A N -0.456 122.302 122.820 -0.103 0.000 2.593 47 A HA 1.015 5.336 4.320 0.001 0.000 0.290 47 A C -0.154 177.215 177.584 -0.358 0.000 1.126 47 A CA -0.476 51.387 52.037 -0.289 0.000 0.695 47 A CB 1.305 20.014 19.000 -0.484 0.000 1.290 47 A HN 0.760 nan 8.150 nan 0.000 0.414 48 G N -0.926 107.517 108.800 -0.595 0.000 2.706 48 G HA2 0.600 4.561 3.960 0.001 0.000 0.307 48 G HA3 0.600 4.561 3.960 0.001 0.000 0.307 48 G C -1.856 172.706 174.900 -0.563 0.000 1.307 48 G CA -0.443 44.384 45.100 -0.455 0.000 0.790 48 G HN 0.698 nan 8.290 nan 0.000 0.503 49 I N 0.405 120.770 120.570 -0.342 0.000 2.582 49 I HA 0.680 4.851 4.170 0.001 0.000 0.292 49 I C -0.294 175.732 176.117 -0.151 0.000 1.066 49 I CA -0.430 60.724 61.300 -0.244 0.000 1.053 49 I CB 1.419 39.328 38.000 -0.151 0.000 1.241 49 I HN 0.611 nan 8.210 nan 0.000 0.421 50 T N 6.150 120.639 114.554 -0.109 0.000 2.816 50 T HA 0.758 5.109 4.350 0.001 0.000 0.299 50 T C -1.438 173.321 174.700 0.099 0.000 1.230 50 T CA -0.356 61.737 62.100 -0.010 0.000 1.007 50 T CB 1.698 70.560 68.868 -0.010 0.000 1.289 50 T HN 0.344 nan 8.240 nan 0.000 0.508 51 I N 3.526 124.179 120.570 0.140 0.000 2.418 51 I HA 0.536 4.707 4.170 0.001 0.000 0.287 51 I C -0.018 176.247 176.117 0.247 0.000 1.008 51 I CA -0.730 60.676 61.300 0.177 0.000 1.104 51 I CB 1.703 39.762 38.000 0.098 0.000 1.264 51 I HN 0.525 nan 8.210 nan 0.000 0.438 52 N N 3.120 122.045 118.700 0.376 0.000 3.364 52 N HA 0.126 4.867 4.740 0.001 0.000 0.294 52 N C -1.179 174.565 175.510 0.391 0.000 1.562 52 N CA -0.631 52.621 53.050 0.338 0.000 0.862 52 N CB 1.665 40.339 38.487 0.311 0.000 1.691 52 N HN 0.553 nan 8.380 nan 0.000 0.572 53 E N 0.720 121.092 120.200 0.286 0.000 2.820 53 E HA -0.116 4.235 4.350 0.001 0.000 0.251 53 E C 0.323 177.147 176.600 0.373 0.000 0.944 53 E CA 0.539 57.102 56.400 0.272 0.000 0.955 53 E CB -0.003 29.780 29.700 0.137 0.000 0.904 53 E HN 0.474 nan 8.360 nan 0.000 0.513 54 N N 3.719 122.623 118.700 0.339 0.000 2.214 54 N HA 0.142 4.882 4.740 0.001 0.000 0.214 54 N C 0.335 175.995 175.510 0.250 0.000 1.132 54 N CA 0.455 53.677 53.050 0.287 0.000 0.856 54 N CB 0.767 39.330 38.487 0.126 0.000 1.020 54 N HN 0.305 nan 8.380 nan 0.000 0.509 55 A N -0.346 122.640 122.820 0.276 0.000 1.969 55 A HA 0.146 4.466 4.320 0.001 0.000 0.205 55 A C 0.409 178.081 177.584 0.145 0.000 1.364 55 A CA 0.208 52.391 52.037 0.244 0.000 0.756 55 A CB -0.089 19.148 19.000 0.396 0.000 0.988 55 A HN 0.246 nan 8.150 nan 0.000 0.490 56 D N 0.175 120.633 120.400 0.096 0.000 2.347 56 D HA 0.359 4.999 4.640 0.001 0.000 0.235 56 D C -1.966 174.346 176.300 0.021 0.000 1.149 56 D CA -1.816 52.205 54.000 0.035 0.000 0.850 56 D CB 1.455 42.246 40.800 -0.015 0.000 1.061 56 D HN -0.046 nan 8.370 nan 0.000 0.487 57 P HA -0.083 nan 4.420 nan 0.000 0.219 57 P C 0.633 177.896 177.300 -0.062 0.000 1.146 57 P CA 0.703 63.798 63.100 -0.009 0.000 0.808 57 P CB 0.406 32.108 31.700 0.004 0.000 0.779 58 D N -1.147 119.219 120.400 -0.056 0.000 2.264 58 D HA -0.076 4.565 4.640 0.001 0.000 0.208 58 D C 1.882 178.116 176.300 -0.110 0.000 0.966 58 D CA 0.795 54.749 54.000 -0.076 0.000 0.864 58 D CB -0.267 40.498 40.800 -0.057 0.000 0.933 58 D HN 0.051 nan 8.370 nan 0.000 0.499 59 V N 1.428 121.276 119.914 -0.110 0.000 2.358 59 V HA -0.217 3.904 4.120 0.001 0.000 0.246 59 V C 2.791 178.730 176.094 -0.258 0.000 1.047 59 V CA 2.151 64.370 62.300 -0.135 0.000 1.035 59 V CB -0.941 30.832 31.823 -0.083 0.000 0.658 59 V HN 0.354 nan 8.190 nan 0.000 0.452 60 T N -1.208 113.131 114.554 -0.359 0.000 2.904 60 T HA -0.200 4.151 4.350 0.001 0.000 0.267 60 T C 2.032 176.376 174.700 -0.593 0.000 1.059 60 T CA 1.086 62.737 62.100 -0.747 0.000 1.137 60 T CB -0.323 68.078 68.868 -0.778 0.000 0.879 60 T HN 0.313 nan 8.240 nan 0.000 0.467 61 R N 1.805 122.114 120.500 -0.318 0.000 2.081 61 R HA -0.119 4.221 4.340 0.001 0.000 0.235 61 R C 1.481 177.675 176.300 -0.177 0.000 1.131 61 R CA 1.936 57.913 56.100 -0.206 0.000 0.960 61 R CB -0.967 29.260 30.300 -0.123 0.000 0.856 61 R HN 0.370 nan 8.270 nan 0.000 0.436 62 D N 0.523 120.823 120.400 -0.167 0.000 2.178 62 D HA -0.086 4.555 4.640 0.001 0.000 0.202 62 D C 2.052 178.282 176.300 -0.117 0.000 0.974 62 D CA 1.076 55.006 54.000 -0.117 0.000 0.841 62 D CB -0.139 40.603 40.800 -0.096 0.000 0.953 62 D HN 0.329 nan 8.370 nan 0.000 0.478 63 I N 0.340 120.791 120.570 -0.197 0.000 2.202 63 I HA -0.210 3.961 4.170 0.001 0.000 0.242 63 I C 2.404 178.492 176.117 -0.049 0.000 1.091 63 I CA 0.630 61.849 61.300 -0.135 0.000 1.368 63 I CB -0.154 37.708 38.000 -0.231 0.000 1.058 63 I HN -0.041 nan 8.210 nan 0.000 0.410 64 L N 0.015 121.159 121.223 -0.132 0.000 1.994 64 L HA -0.205 4.136 4.340 0.001 0.000 0.208 64 L C 2.599 179.514 176.870 0.075 0.000 1.071 64 L CA 1.206 56.080 54.840 0.057 0.000 0.745 64 L CB -0.554 41.499 42.059 -0.009 0.000 0.892 64 L HN 0.074 nan 8.230 nan 0.000 0.431 65 V N -0.123 119.794 119.914 0.005 0.000 2.358 65 V HA -0.255 3.866 4.120 0.001 0.000 0.246 65 V C 2.140 178.243 176.094 0.014 0.000 1.047 65 V CA 1.761 64.067 62.300 0.011 0.000 1.035 65 V CB -0.642 31.171 31.823 -0.017 0.000 0.658 65 V HN 0.494 nan 8.190 nan 0.000 0.452 66 N N -0.209 118.492 118.700 0.003 0.000 2.331 66 N HA -0.073 4.667 4.740 0.001 0.000 0.180 66 N C 1.675 177.198 175.510 0.021 0.000 1.019 66 N CA 0.877 53.925 53.050 -0.002 0.000 0.881 66 N CB -0.051 38.427 38.487 -0.015 0.000 0.972 66 N HN 0.273 nan 8.380 nan 0.000 0.435 67 L N 1.690 122.958 121.223 0.075 0.000 2.093 67 L HA -0.122 4.218 4.340 0.001 0.000 0.208 67 L C 1.984 178.940 176.870 0.143 0.000 1.085 67 L CA 1.572 56.496 54.840 0.140 0.000 0.755 67 L CB -0.854 41.309 42.059 0.172 0.000 0.904 67 L HN 0.093 nan 8.230 nan 0.000 0.435 68 D N -1.103 119.364 120.400 0.112 0.000 2.144 68 D HA -0.224 4.417 4.640 0.001 0.000 0.199 68 D C 2.208 178.529 176.300 0.036 0.000 0.984 68 D CA 0.984 55.044 54.000 0.099 0.000 0.834 68 D CB 0.063 40.916 40.800 0.089 0.000 0.955 68 D HN -0.076 nan 8.370 nan 0.000 0.465 69 K N 0.287 120.685 120.400 -0.004 0.000 2.057 69 K HA -0.068 4.253 4.320 0.001 0.000 0.207 69 K C 2.015 178.547 176.600 -0.114 0.000 1.049 69 K CA 0.835 57.092 56.287 -0.048 0.000 0.931 69 K CB -0.486 31.984 32.500 -0.050 0.000 0.714 69 K HN 0.172 nan 8.250 nan 0.000 0.440 70 V N 0.231 120.033 119.914 -0.186 0.000 2.488 70 V HA -0.104 4.017 4.120 0.001 0.000 0.246 70 V C 0.678 176.375 176.094 -0.660 0.000 1.046 70 V CA 1.069 63.096 62.300 -0.454 0.000 1.053 70 V CB -0.300 31.162 31.823 -0.602 0.000 0.679 70 V HN 0.054 nan 8.190 nan 0.000 0.458 71 F N 1.658 121.597 119.950 -0.019 0.000 2.550 71 F HA 0.452 4.980 4.527 0.001 0.000 0.348 71 F C -1.957 173.843 175.800 -0.001 0.000 1.219 71 F CA -3.027 54.966 58.000 -0.011 0.000 1.203 71 F CB 0.309 39.292 39.000 -0.027 0.000 1.436 71 F HN 0.064 nan 8.300 nan 0.000 0.541 84 S N 0.000 115.847 115.700 0.245 0.000 2.481 84 S HA -0.174 4.297 4.470 0.001 0.000 0.231 84 S C 1.702 176.357 174.600 0.091 0.000 0.996 84 S CA 1.073 59.400 58.200 0.211 0.000 0.942 84 S CB -0.971 62.285 63.200 0.093 0.000 0.768 84 S HN 0.593 nan 8.310 nan 0.000 0.520 85 H N 1.329 120.422 119.070 0.040 0.000 2.389 85 H HA 0.222 4.778 4.556 0.001 0.000 0.299 85 H C 2.173 177.421 175.328 -0.133 0.000 1.081 85 H CA 1.233 57.265 56.048 -0.026 0.000 1.345 85 H CB -1.088 28.688 29.762 0.023 0.000 1.393 85 H HN 0.517 nan 8.280 nan 0.000 0.520 86 A N 1.531 123.851 122.820 -0.833 0.000 1.930 86 A HA -0.159 4.162 4.320 0.001 0.000 0.217 86 A C 2.076 179.399 177.584 -0.435 0.000 1.175 86 A CA 1.353 53.032 52.037 -0.595 0.000 0.627 86 A CB -0.918 17.750 19.000 -0.552 0.000 0.815 86 A HN 0.550 nan 8.150 nan 0.000 0.443 87 H N -0.854 118.053 119.070 -0.272 0.000 2.353 87 H HA -0.040 4.517 4.556 0.001 0.000 0.300 87 H C 1.948 177.125 175.328 -0.251 0.000 1.090 87 H CA 1.768 57.697 56.048 -0.197 0.000 1.327 87 H CB -0.115 29.565 29.762 -0.137 0.000 1.383 87 H HN 0.513 nan 8.280 nan 0.000 0.508 88 I N 0.649 121.099 120.570 -0.199 0.000 2.252 88 I HA -0.231 3.940 4.170 0.001 0.000 0.245 88 I C 1.687 177.514 176.117 -0.483 0.000 1.102 88 I CA 1.405 62.490 61.300 -0.359 0.000 1.385 88 I CB -0.023 37.659 38.000 -0.530 0.000 1.064 88 I HN 0.139 nan 8.210 nan 0.000 0.414 89 K N 0.763 120.801 120.400 -0.603 0.000 2.147 89 K HA -0.121 4.200 4.320 0.001 0.000 0.205 89 K C 2.132 178.397 176.600 -0.559 0.000 1.049 89 K CA 1.271 57.087 56.287 -0.785 0.000 0.936 89 K CB -0.241 31.388 32.500 -1.451 0.000 0.722 89 K HN 0.449 nan 8.250 nan 0.000 0.446 90 A N 0.919 123.520 122.820 -0.365 0.000 1.902 90 A HA -0.148 4.173 4.320 0.001 0.000 0.217 90 A C 2.204 179.719 177.584 -0.115 0.000 1.181 90 A CA 1.782 53.763 52.037 -0.092 0.000 0.623 90 A CB -0.457 18.491 19.000 -0.086 0.000 0.818 90 A HN 0.149 nan 8.150 nan 0.000 0.443 91 S N -0.587 115.025 115.700 -0.146 0.000 2.406 91 S HA 0.115 4.585 4.470 0.001 0.000 0.228 91 S C 0.965 175.500 174.600 -0.108 0.000 1.020 91 S CA 0.194 58.325 58.200 -0.115 0.000 0.965 91 S CB -0.428 62.706 63.200 -0.110 0.000 0.798 91 S HN 0.447 nan 8.310 nan 0.000 0.488 95 S N -1.055 114.530 115.700 -0.192 0.000 2.527 95 S HA 0.411 4.882 4.470 0.001 0.000 0.222 95 S C 1.102 175.428 174.600 -0.457 0.000 0.985 95 S CA 1.053 59.026 58.200 -0.378 0.000 0.921 95 S CB -0.181 62.782 63.200 -0.396 0.000 0.772 95 S HN 2.090 nan 8.310 nan 0.000 0.529 96 S N -0.460 115.123 115.700 -0.195 0.000 2.587 96 S HA 0.661 5.131 4.470 0.001 0.000 0.269 96 S C -2.091 172.508 174.600 -0.002 0.000 1.154 96 S CA -0.956 57.203 58.200 -0.067 0.000 0.824 96 S CB 1.537 64.818 63.200 0.136 0.000 1.118 96 S HN 0.096 nan 8.310 nan 0.000 0.462 97 Q N 0.575 120.395 119.800 0.032 0.000 2.456 97 Q HA 0.537 4.878 4.340 0.001 0.000 0.283 97 Q C -1.451 174.584 176.000 0.058 0.000 1.084 97 Q CA -0.537 55.288 55.803 0.037 0.000 0.801 97 Q CB 2.296 31.047 28.738 0.021 0.000 1.434 97 Q HN 0.844 nan 8.270 nan 0.000 0.419 98 Q N 0.921 120.752 119.800 0.051 0.000 2.337 98 Q HA 0.674 5.014 4.340 0.001 0.000 0.266 98 Q C -1.180 174.845 176.000 0.041 0.000 1.023 98 Q CA -0.649 55.185 55.803 0.052 0.000 0.829 98 Q CB 1.707 30.475 28.738 0.050 0.000 1.306 98 Q HN 0.466 nan 8.270 nan 0.000 0.449 99 I N 2.886 123.479 120.570 0.039 0.000 2.533 99 I HA 0.350 4.521 4.170 0.001 0.000 0.290 99 I C -0.483 175.650 176.117 0.026 0.000 1.056 99 I CA -0.350 60.968 61.300 0.030 0.000 1.057 99 I CB 1.770 39.784 38.000 0.024 0.000 1.240 99 I HN 0.536 nan 8.210 nan 0.000 0.423 100 I N 5.963 126.546 120.570 0.022 0.000 2.556 100 I HA 0.181 4.351 4.170 0.001 0.000 0.284 100 I C -0.175 175.951 176.117 0.014 0.000 1.114 100 I CA 0.151 61.461 61.300 0.018 0.000 1.418 100 I CB 0.353 38.362 38.000 0.016 0.000 1.394 100 I HN 0.364 nan 8.210 nan 0.000 0.552 101 I N 6.762 127.340 120.570 0.014 0.000 2.321 101 I HA 0.296 4.467 4.170 0.001 0.000 0.291 101 I C 0.029 176.151 176.117 0.008 0.000 0.998 101 I CA -0.200 61.107 61.300 0.011 0.000 1.227 101 I CB 1.103 39.111 38.000 0.014 0.000 1.368 101 I HN 0.626 nan 8.210 nan 0.000 0.466 102 E N 7.392 127.595 120.200 0.004 0.000 2.263 102 E HA 0.255 4.606 4.350 0.001 0.000 0.268 102 E C -0.853 175.747 176.600 -0.000 0.000 0.884 102 E CA -0.567 55.834 56.400 0.002 0.000 0.766 102 E CB 1.002 30.703 29.700 0.002 0.000 1.196 102 E HN 0.622 nan 8.360 nan 0.000 0.416 103 N N 3.119 121.819 118.700 0.000 0.000 2.738 103 N HA -0.189 4.552 4.740 0.001 0.000 0.249 103 N C 0.424 175.933 175.510 -0.002 0.000 1.047 103 N CA 1.251 54.300 53.050 -0.002 0.000 0.707 103 N CB -1.495 36.989 38.487 -0.004 0.000 0.937 103 N HN 1.005 nan 8.380 nan 0.000 0.545 104 G N -0.800 108.001 108.800 0.001 0.000 2.341 104 G HA2 -0.329 3.632 3.960 0.001 0.000 0.292 104 G HA3 -0.329 3.632 3.960 0.001 0.000 0.292 104 G C 0.017 174.917 174.900 -0.000 0.000 1.021 104 G CA 1.361 46.463 45.100 0.002 0.000 0.905 104 G HN 0.743 nan 8.290 nan 0.000 0.508 105 K N -0.778 119.621 120.400 -0.001 0.000 2.523 105 K HA 0.614 4.935 4.320 0.001 0.000 0.257 105 K C 0.127 176.724 176.600 -0.005 0.000 0.932 105 K CA -1.001 55.283 56.287 -0.006 0.000 0.812 105 K CB 0.962 33.455 32.500 -0.012 0.000 1.326 105 K HN 0.092 nan 8.250 nan 0.000 0.433 106 L N 3.872 125.091 121.223 -0.007 0.000 2.477 106 L HA 0.184 4.525 4.340 0.001 0.000 0.272 106 L C 0.524 177.389 176.870 -0.010 0.000 1.157 106 L CA 0.119 54.956 54.840 -0.005 0.000 0.889 106 L CB 0.437 42.490 42.059 -0.010 0.000 1.158 106 L HN 0.553 nan 8.230 nan 0.000 0.473 107 K N 5.172 125.570 120.400 -0.003 0.000 2.278 107 K HA 0.297 4.617 4.320 0.001 0.000 0.237 107 K C -0.560 176.039 176.600 -0.002 0.000 1.229 107 K CA -0.159 56.126 56.287 -0.004 0.000 1.155 107 K CB -0.123 32.378 32.500 0.003 0.000 1.590 107 K HN 0.504 nan 8.250 nan 0.000 0.290 108 L N 0.823 122.039 121.223 -0.011 0.000 2.352 108 L HA 0.432 4.773 4.340 0.001 0.000 0.269 108 L C 1.063 177.925 176.870 -0.014 0.000 1.034 108 L CA -0.942 53.894 54.840 -0.008 0.000 0.806 108 L CB 1.444 43.492 42.059 -0.018 0.000 1.244 108 L HN 0.438 nan 8.230 nan 0.000 0.447 109 G N -0.231 108.575 108.800 0.009 0.000 2.606 109 G HA2 0.184 4.144 3.960 0.001 0.000 0.252 109 G HA3 0.184 4.144 3.960 0.001 0.000 0.252 109 G C 0.793 175.659 174.900 -0.057 0.000 1.206 109 G CA -0.219 44.889 45.100 0.013 0.000 0.861 109 G HN 0.715 nan 8.290 nan 0.000 0.561 110 T N 0.223 114.692 114.554 -0.141 0.000 2.699 110 T HA -0.168 4.182 4.350 0.001 0.000 0.268 110 T C 1.266 175.602 174.700 -0.607 0.000 1.036 110 T CA 1.886 63.710 62.100 -0.460 0.000 1.147 110 T CB -0.178 68.257 68.868 -0.721 0.000 0.862 110 T HN 0.641 nan 8.240 nan 0.000 0.446 111 W N 1.658 122.973 121.300 0.025 0.000 3.102 111 W HA 0.397 5.058 4.660 0.000 0.000 0.401 111 W C 0.381 176.929 176.519 0.048 0.000 1.070 111 W CA -0.851 56.515 57.345 0.035 0.000 1.921 111 W CB -0.226 29.258 29.460 0.040 0.000 1.118 111 W HN 0.095 nan 8.180 nan 0.000 0.647 112 Q N 1.027 120.916 119.800 0.148 0.000 2.296 112 Q HA 0.511 4.852 4.340 0.001 0.000 0.257 112 Q C 0.430 176.451 176.000 0.036 0.000 0.942 112 Q CA -0.231 55.643 55.803 0.118 0.000 0.939 112 Q CB 1.535 30.323 28.738 0.084 0.000 1.198 112 Q HN 0.148 nan 8.270 nan 0.000 0.429 113 G N 2.451 111.261 108.800 0.017 0.000 2.481 113 G HA2 0.619 4.580 3.960 0.001 0.000 0.315 113 G HA3 0.619 4.580 3.960 0.001 0.000 0.315 113 G C -0.655 174.081 174.900 -0.274 0.000 1.231 113 G CA -0.689 44.290 45.100 -0.201 0.000 0.968 113 G HN 0.551 nan 8.290 nan 0.000 0.482 114 I N 1.015 121.401 120.570 -0.308 0.000 2.331 114 I HA 0.298 4.469 4.170 0.001 0.000 0.292 114 I C -0.907 175.021 176.117 -0.314 0.000 0.998 114 I CA -0.505 60.679 61.300 -0.192 0.000 1.267 114 I CB 0.998 38.938 38.000 -0.099 0.000 1.386 114 I HN 0.319 nan 8.210 nan 0.000 0.476 115 Y N 5.395 125.674 120.300 -0.035 0.000 2.446 115 Y HA 0.392 4.943 4.550 0.001 0.000 0.345 115 Y C -0.371 175.433 175.900 -0.161 0.000 0.984 115 Y CA -0.808 57.237 58.100 -0.091 0.000 1.058 115 Y CB 1.865 40.216 38.460 -0.181 0.000 1.220 115 Y HN 0.383 nan 8.280 nan 0.000 0.455 116 F N 3.163 123.062 119.950 -0.084 0.000 2.405 116 F HA 0.429 4.956 4.527 0.001 0.000 0.355 116 F C 0.193 175.783 175.800 -0.351 0.000 1.121 116 F CA -0.798 57.090 58.000 -0.187 0.000 1.112 116 F CB 0.871 39.789 39.000 -0.136 0.000 1.126 116 F HN 0.466 nan 8.300 nan 0.000 0.481 117 T N 2.629 116.700 114.554 -0.806 0.000 2.832 117 T HA 0.294 4.644 4.350 0.001 0.000 0.313 117 T C -0.447 173.630 174.700 -1.038 0.000 1.035 117 T CA -0.760 60.744 62.100 -0.994 0.000 0.950 117 T CB 0.605 68.789 68.868 -1.140 0.000 0.984 117 T HN 0.630 nan 8.240 nan 0.000 0.486 118 E N 2.508 122.364 120.200 -0.574 0.000 2.259 118 E HA 0.371 4.722 4.350 0.001 0.000 0.281 118 E C -0.805 175.479 176.600 -0.528 0.000 1.037 118 E CA -0.846 55.347 56.400 -0.344 0.000 0.854 118 E CB 0.245 29.948 29.700 0.003 0.000 1.051 118 E HN 0.645 nan 8.360 nan 0.000 0.409 119 F N 2.235 122.144 119.950 -0.069 0.000 2.746 119 F HA 0.287 4.814 4.527 0.001 0.000 0.320 119 F C 0.402 176.156 175.800 -0.077 0.000 1.097 119 F CA -0.378 57.583 58.000 -0.064 0.000 1.195 119 F CB 0.819 39.738 39.000 -0.134 0.000 1.056 119 F HN 0.445 nan 8.300 nan 0.000 0.562 120 D N -0.096 120.338 120.400 0.056 0.000 3.216 120 D HA 0.245 4.886 4.640 0.001 0.000 0.348 120 D C 0.542 176.849 176.300 0.012 0.000 1.407 120 D CA 0.095 54.109 54.000 0.023 0.000 0.744 120 D CB -0.123 40.644 40.800 -0.056 0.000 1.264 120 D HN 0.119 nan 8.370 nan 0.000 0.543 121 G N 0.764 109.575 108.800 0.019 0.000 2.563 121 G HA2 0.475 4.436 3.960 0.001 0.000 0.283 121 G HA3 0.475 4.436 3.960 0.001 0.000 0.283 121 G C -2.299 172.610 174.900 0.015 0.000 1.309 121 G CA -0.977 44.125 45.100 0.004 0.000 1.022 121 G HN 0.138 nan 8.290 nan 0.000 0.501 122 P HA 0.404 nan 4.420 nan 0.000 0.285 122 P C -0.833 176.455 177.300 -0.019 0.000 1.259 122 P CA -0.175 62.919 63.100 -0.009 0.000 0.794 122 P CB 1.579 33.276 31.700 -0.005 0.000 0.940 123 R N 1.060 121.535 120.500 -0.042 0.000 2.752 123 R HA 0.415 4.756 4.340 0.001 0.000 0.271 123 R C -1.222 175.033 176.300 -0.075 0.000 1.026 123 R CA -0.908 55.162 56.100 -0.050 0.000 0.901 123 R CB 0.906 31.165 30.300 -0.067 0.000 1.243 123 R HN 0.311 nan 8.270 nan 0.000 0.463 124 D N 1.914 122.280 120.400 -0.056 0.000 2.428 124 D HA 0.227 4.868 4.640 0.001 0.000 0.221 124 D C -0.225 176.031 176.300 -0.072 0.000 1.123 124 D CA -0.199 53.771 54.000 -0.051 0.000 0.869 124 D CB 0.722 41.519 40.800 -0.004 0.000 1.032 124 D HN 0.032 nan 8.370 nan 0.000 0.506 125 R N 1.758 122.159 120.500 -0.165 0.000 2.691 125 R HA 0.632 4.972 4.340 0.001 0.000 0.259 125 R C 0.247 176.525 176.300 -0.038 0.000 1.048 125 R CA -0.651 55.307 56.100 -0.238 0.000 1.086 125 R CB 1.375 31.366 30.300 -0.514 0.000 1.166 125 R HN 0.244 nan 8.270 nan 0.000 0.526 126 K N 0.167 120.710 120.400 0.239 0.000 2.469 126 K HA 0.544 4.865 4.320 0.001 0.000 0.254 126 K C -1.116 175.527 176.600 0.072 0.000 0.939 126 K CA -0.913 55.465 56.287 0.151 0.000 0.812 126 K CB 2.668 35.276 32.500 0.179 0.000 1.301 126 K HN 0.387 nan 8.250 nan 0.000 0.433 127 V N -0.761 119.176 119.914 0.039 0.000 2.686 127 V HA 0.616 4.737 4.120 0.001 0.000 0.306 127 V C -1.118 175.090 176.094 0.190 0.000 1.065 127 V CA -1.052 61.280 62.300 0.053 0.000 0.894 127 V CB 0.936 32.876 31.823 0.196 0.000 1.004 127 V HN 0.486 nan 8.190 nan 0.000 0.424 128 F N 2.467 122.569 119.950 0.253 0.000 2.450 128 F HA 0.825 5.352 4.527 0.001 0.000 0.332 128 F C 0.138 176.050 175.800 0.185 0.000 1.093 128 F CA -1.645 56.460 58.000 0.175 0.000 1.003 128 F CB 1.995 41.081 39.000 0.143 0.000 1.151 128 F HN 0.323 nan 8.300 nan 0.000 0.474 129 V N 3.691 123.800 119.914 0.326 0.000 2.443 129 V HA 0.387 4.508 4.120 0.001 0.000 0.293 129 V C -0.369 175.811 176.094 0.144 0.000 1.021 129 V CA -0.894 61.548 62.300 0.236 0.000 0.848 129 V CB 1.659 33.643 31.823 0.269 0.000 0.998 129 V HN 0.531 nan 8.190 nan 0.000 0.424 130 K N 5.216 125.688 120.400 0.120 0.000 2.307 130 K HA 0.534 4.855 4.320 0.001 0.000 0.263 130 K C -1.058 175.574 176.600 0.053 0.000 0.973 130 K CA -0.639 55.684 56.287 0.060 0.000 0.846 130 K CB 1.598 34.120 32.500 0.037 0.000 1.100 130 K HN 0.456 nan 8.250 nan 0.000 0.438 131 I N 6.442 127.034 120.570 0.036 0.000 2.331 131 I HA 0.351 4.521 4.170 0.001 0.000 0.292 131 I C 0.615 176.743 176.117 0.018 0.000 0.998 131 I CA -0.668 60.651 61.300 0.031 0.000 1.267 131 I CB 0.707 38.724 38.000 0.027 0.000 1.386 131 I HN 0.435 nan 8.210 nan 0.000 0.476 132 I N 5.898 126.480 120.570 0.019 0.000 2.648 132 I HA 0.408 4.579 4.170 0.001 0.000 0.304 132 I C 0.147 176.270 176.117 0.010 0.000 1.009 132 I CA -1.053 60.254 61.300 0.012 0.000 1.114 132 I CB 1.908 39.916 38.000 0.014 0.000 1.293 132 I HN 0.363 nan 8.210 nan 0.000 0.449 133 L N 0.000 121.226 121.223 0.005 0.000 2.949 133 L HA 0.000 4.341 4.340 0.001 0.000 0.249 133 L CA 0.000 54.842 54.840 0.004 0.000 0.813 133 L CB 0.000 42.062 42.059 0.006 0.000 0.961 133 L HN 0.000 nan 8.230 nan 0.000 0.502