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 3hou_1_W 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 0.000 176.276 176.300 -0.040 0.000 1.140 1 M CA 0.000 55.280 55.300 -0.033 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.024 0.000 1.302 2 N N 1.400 120.069 118.700 -0.051 0.000 2.177 2 N HA 0.359 5.099 4.740 0.000 0.000 0.218 2 N C -0.124 175.335 175.510 -0.086 0.000 1.182 2 N CA 0.419 53.436 53.050 -0.056 0.000 0.882 2 N CB 1.464 39.923 38.487 -0.046 0.000 1.052 2 N HN 0.408 nan 8.380 nan 0.000 0.519 3 A N 2.804 125.567 122.820 -0.096 0.000 2.454 3 A HA 0.330 4.650 4.320 0.000 0.000 0.260 3 A C -1.717 175.789 177.584 -0.129 0.000 1.106 3 A CA -0.754 51.208 52.037 -0.124 0.000 0.780 3 A CB -0.111 18.824 19.000 -0.109 0.000 1.044 3 A HN 0.061 nan 8.150 nan 0.000 0.498 4 P HA 0.168 nan 4.420 nan 0.000 0.274 4 P C -0.748 176.404 177.300 -0.247 0.000 1.231 4 P CA -0.463 62.537 63.100 -0.166 0.000 0.790 4 P CB 0.596 32.224 31.700 -0.121 0.000 0.951 5 D N 2.165 122.328 120.400 -0.395 0.000 2.455 5 D HA -0.022 4.618 4.640 0.000 0.000 0.241 5 D C 1.621 177.545 176.300 -0.626 0.000 1.138 5 D CA -0.042 53.575 54.000 -0.637 0.000 0.877 5 D CB 0.941 40.956 40.800 -1.308 0.000 1.187 5 D HN 0.239 nan 8.370 nan 0.000 0.451 6 R N 2.041 122.306 120.500 -0.391 0.000 2.105 6 R HA -0.162 4.178 4.340 0.000 0.000 0.239 6 R C 2.074 178.227 176.300 -0.246 0.000 1.135 6 R CA 0.982 56.968 56.100 -0.189 0.000 0.967 6 R CB -0.632 29.668 30.300 -0.001 0.000 0.861 6 R HN 0.590 nan 8.270 nan 0.000 0.442 7 F N 1.097 120.899 119.950 -0.247 0.000 2.494 7 F HA 0.002 4.529 4.527 0.000 0.000 0.298 7 F C 1.221 176.497 175.800 -0.874 0.000 1.106 7 F CA 0.381 57.899 58.000 -0.803 0.000 1.452 7 F CB -0.790 37.953 39.000 -0.428 0.000 1.085 7 F HN -0.037 nan 8.300 nan 0.000 0.569 8 E N 0.868 120.817 120.200 -0.418 0.000 2.478 8 E HA -0.039 4.311 4.350 0.000 0.000 0.198 8 E C 2.003 178.511 176.600 -0.153 0.000 1.046 8 E CA 0.425 56.711 56.400 -0.190 0.000 0.870 8 E CB -0.223 29.352 29.700 -0.208 0.000 0.818 8 E HN 0.547 nan 8.360 nan 0.000 0.527 9 L N -0.283 120.820 121.223 -0.200 0.000 2.179 9 L HA -0.075 4.265 4.340 0.000 0.000 0.208 9 L C 1.870 178.826 176.870 0.144 0.000 1.096 9 L CA 1.011 55.877 54.840 0.042 0.000 0.779 9 L CB -0.142 42.042 42.059 0.208 0.000 0.922 9 L HN 0.249 nan 8.230 nan 0.000 0.443 10 F N -3.045 116.977 119.950 0.121 0.000 2.784 10 F HA 0.342 4.869 4.527 0.000 0.000 0.316 10 F C 0.642 176.496 175.800 0.090 0.000 1.026 10 F CA -0.745 57.315 58.000 0.100 0.000 1.188 10 F CB -0.223 38.830 39.000 0.088 0.000 0.999 10 F HN -0.328 nan 8.300 nan 0.000 0.605 11 L N 3.373 124.522 121.223 -0.124 0.000 2.313 11 L HA 0.252 4.592 4.340 0.000 0.000 0.282 11 L C -0.400 176.471 176.870 0.002 0.000 1.092 11 L CA -0.821 54.014 54.840 -0.008 0.000 0.831 11 L CB 1.044 43.038 42.059 -0.108 0.000 1.159 11 L HN 0.082 nan 8.230 nan 0.000 0.442 12 L N 3.781 125.016 121.223 0.020 0.000 2.562 12 L HA 0.132 4.472 4.340 0.000 0.000 0.271 12 L C 1.001 177.866 176.870 -0.009 0.000 1.167 12 L CA 0.683 55.525 54.840 0.004 0.000 0.917 12 L CB 0.557 42.615 42.059 -0.001 0.000 1.187 12 L HN 0.604 nan 8.230 nan 0.000 0.482 13 G N 3.136 111.931 108.800 -0.008 0.000 2.594 13 G HA2 0.058 4.018 3.960 0.000 0.000 0.243 13 G HA3 0.058 4.018 3.960 0.000 0.000 0.243 13 G C -0.153 174.735 174.900 -0.019 0.000 1.229 13 G CA -0.616 44.480 45.100 -0.007 0.000 0.843 13 G HN 0.741 nan 8.290 nan 0.000 0.578 14 E N 0.250 120.440 120.200 -0.018 0.000 3.490 14 E HA 0.066 4.416 4.350 0.000 0.000 0.232 14 E C 1.122 177.706 176.600 -0.026 0.000 0.943 14 E CA 0.758 57.144 56.400 -0.022 0.000 0.933 14 E CB -0.839 28.849 29.700 -0.019 0.000 0.890 14 E HN 1.312 nan 8.360 nan 0.000 0.576 15 G N 4.043 112.827 108.800 -0.027 0.000 2.392 15 G HA2 -0.270 3.690 3.960 0.000 0.000 0.290 15 G HA3 -0.270 3.690 3.960 0.000 0.000 0.290 15 G C -0.509 174.371 174.900 -0.033 0.000 1.032 15 G CA 0.549 45.632 45.100 -0.029 0.000 1.269 15 G HN 0.599 nan 8.290 nan 0.000 0.511 16 E N -0.425 119.754 120.200 -0.035 0.000 2.383 16 E HA 0.668 5.018 4.350 0.000 0.000 0.275 16 E C -0.616 175.956 176.600 -0.046 0.000 0.918 16 E CA -0.867 55.508 56.400 -0.042 0.000 0.764 16 E CB 2.054 31.730 29.700 -0.041 0.000 1.252 16 E HN 0.168 nan 8.360 nan 0.000 0.449 17 S N 0.792 116.456 115.700 -0.059 0.000 2.568 17 S HA 0.223 4.693 4.470 0.000 0.000 0.302 17 S C 0.727 175.271 174.600 -0.093 0.000 1.082 17 S CA -0.721 57.436 58.200 -0.071 0.000 1.009 17 S CB 1.420 64.573 63.200 -0.079 0.000 1.069 17 S HN 0.370 nan 8.310 nan 0.000 0.500 18 K N 0.934 121.273 120.400 -0.102 0.000 2.009 18 K HA 0.027 4.347 4.320 0.000 0.000 0.210 18 K C 0.415 176.864 176.600 -0.252 0.000 1.049 18 K CA 1.375 57.581 56.287 -0.135 0.000 0.929 18 K CB -0.348 32.079 32.500 -0.122 0.000 0.714 18 K HN 0.510 nan 8.250 nan 0.000 0.440 19 L N 0.413 121.470 121.223 -0.276 0.000 2.334 19 L HA 0.405 4.745 4.340 0.000 0.000 0.272 19 L C 0.055 176.798 176.870 -0.212 0.000 1.020 19 L CA -0.725 53.897 54.840 -0.362 0.000 0.812 19 L CB 1.533 43.334 42.059 -0.430 0.000 1.264 19 L HN -0.120 nan 8.230 nan 0.000 0.439 20 K N 3.109 123.395 120.400 -0.189 0.000 2.652 20 K HA 0.488 4.808 4.320 0.000 0.000 0.249 20 K C -1.762 174.786 176.600 -0.086 0.000 0.986 20 K CA -0.369 55.854 56.287 -0.108 0.000 0.867 20 K CB 1.558 34.011 32.500 -0.078 0.000 1.201 20 K HN 0.545 nan 8.250 nan 0.000 0.450 21 I N 3.429 123.959 120.570 -0.067 0.000 2.339 21 I HA 0.299 4.469 4.170 0.000 0.000 0.290 21 I C -0.522 175.585 176.117 -0.016 0.000 0.994 21 I CA -0.604 60.674 61.300 -0.036 0.000 1.191 21 I CB 1.458 39.434 38.000 -0.041 0.000 1.343 21 I HN 0.338 nan 8.210 nan 0.000 0.458 22 D N 7.999 128.401 120.400 0.003 0.000 2.629 22 D HA 0.278 4.918 4.640 0.000 0.000 0.250 22 D C -2.533 173.776 176.300 0.016 0.000 1.126 22 D CA -1.206 52.798 54.000 0.007 0.000 0.852 22 D CB 2.533 43.338 40.800 0.008 0.000 1.335 22 D HN 0.242 nan 8.370 nan 0.000 0.518 23 P HA -0.026 nan 4.420 nan 0.000 0.264 23 P C -0.091 177.216 177.300 0.011 0.000 1.229 23 P CA -0.071 63.036 63.100 0.011 0.000 0.780 23 P CB 0.791 32.494 31.700 0.005 0.000 0.808 24 D N 3.542 123.951 120.400 0.015 0.000 2.401 24 D HA 0.001 4.641 4.640 0.000 0.000 0.254 24 D C 0.807 177.105 176.300 -0.004 0.000 1.192 24 D CA 0.272 54.276 54.000 0.007 0.000 0.885 24 D CB 0.880 41.684 40.800 0.006 0.000 1.147 24 D HN 0.282 nan 8.370 nan 0.000 0.478 25 T N 2.939 117.489 114.554 -0.007 0.000 3.014 25 T HA -0.075 4.275 4.350 0.000 0.000 0.263 25 T C 1.744 176.434 174.700 -0.017 0.000 1.078 25 T CA 0.141 62.235 62.100 -0.009 0.000 1.135 25 T CB 0.278 69.142 68.868 -0.007 0.000 0.895 25 T HN 0.293 nan 8.240 nan 0.000 0.480 26 K N 2.574 122.959 120.400 -0.025 0.000 2.015 26 K HA 0.077 4.397 4.320 0.000 0.000 0.216 26 K C 1.211 177.787 176.600 -0.041 0.000 1.052 26 K CA 1.413 57.677 56.287 -0.037 0.000 0.937 26 K CB -0.860 31.607 32.500 -0.054 0.000 0.719 26 K HN 0.548 nan 8.250 nan 0.000 0.446 27 A N 1.816 124.607 122.820 -0.049 0.000 2.354 27 A HA 0.533 4.853 4.320 0.000 0.000 0.321 27 A C -2.495 175.076 177.584 -0.022 0.000 1.125 27 A CA -1.637 50.374 52.037 -0.043 0.000 0.799 27 A CB 1.167 20.124 19.000 -0.071 0.000 1.293 27 A HN 0.001 nan 8.150 nan 0.000 0.452 28 P HA 0.090 nan 4.420 nan 0.000 0.278 28 P C -0.347 176.959 177.300 0.010 0.000 1.238 28 P CA -0.139 62.961 63.100 0.001 0.000 0.794 28 P CB 0.571 32.274 31.700 0.005 0.000 0.955 29 N N 0.448 119.156 118.700 0.013 0.000 2.642 29 N HA -0.184 4.556 4.740 0.000 0.000 0.269 29 N C -1.288 174.234 175.510 0.021 0.000 1.073 29 N CA 1.194 54.254 53.050 0.017 0.000 0.748 29 N CB -1.273 37.230 38.487 0.026 0.000 0.894 29 N HN 0.741 nan 8.380 nan 0.000 0.548 30 A N 0.080 122.911 122.820 0.020 0.000 2.594 30 A HA 0.714 5.034 4.320 0.000 0.000 0.296 30 A C -0.789 176.817 177.584 0.036 0.000 1.061 30 A CA -0.254 51.806 52.037 0.037 0.000 0.689 30 A CB 1.820 20.839 19.000 0.032 0.000 1.280 30 A HN 0.318 nan 8.150 nan 0.000 0.406 31 V N -0.232 119.717 119.914 0.058 0.000 3.160 31 V HA 0.797 4.917 4.120 0.000 0.000 0.310 31 V C -0.723 175.427 176.094 0.092 0.000 1.181 31 V CA -0.862 61.472 62.300 0.056 0.000 1.047 31 V CB 1.997 33.844 31.823 0.040 0.000 1.068 31 V HN 0.895 nan 8.190 nan 0.000 0.441 32 V N 2.512 122.477 119.914 0.085 0.000 2.407 32 V HA 0.529 4.649 4.120 0.000 0.000 0.291 32 V C -0.563 175.599 176.094 0.112 0.000 1.018 32 V CA -0.208 62.164 62.300 0.120 0.000 0.842 32 V CB 1.475 33.359 31.823 0.103 0.000 0.996 32 V HN 0.664 nan 8.190 nan 0.000 0.426 33 I N 3.442 124.117 120.570 0.174 0.000 2.354 33 I HA 0.379 4.549 4.170 0.000 0.000 0.292 33 I C 0.343 176.578 176.117 0.197 0.000 0.989 33 I CA -0.185 61.192 61.300 0.128 0.000 1.188 33 I CB 1.892 39.977 38.000 0.142 0.000 1.342 33 I HN 0.437 nan 8.210 nan 0.000 0.457 34 T N 6.552 121.131 114.554 0.043 0.000 2.733 34 T HA 0.403 4.753 4.350 0.000 0.000 0.294 34 T C -0.429 174.214 174.700 -0.095 0.000 0.956 34 T CA -0.162 61.965 62.100 0.045 0.000 0.987 34 T CB -0.029 68.840 68.868 0.003 0.000 0.920 34 T HN 0.103 nan 8.240 nan 0.000 0.470 35 F N 3.451 123.153 119.950 -0.413 0.000 2.375 35 F HA 0.312 4.840 4.527 0.000 0.000 0.362 35 F C 1.045 176.607 175.800 -0.396 0.000 1.129 35 F CA -1.011 56.669 58.000 -0.533 0.000 1.154 35 F CB 0.595 38.909 39.000 -1.143 0.000 1.205 35 F HN 0.332 nan 8.300 nan 0.000 0.513 36 E N 3.911 124.048 120.200 -0.106 0.000 2.331 36 E HA 0.141 4.491 4.350 0.000 0.000 0.272 36 E C 0.079 176.678 176.600 -0.002 0.000 1.036 36 E CA -0.352 56.018 56.400 -0.051 0.000 0.864 36 E CB 0.759 30.427 29.700 -0.052 0.000 1.035 36 E HN 0.285 nan 8.360 nan 0.000 0.408 37 K N 2.071 122.492 120.400 0.035 0.000 3.974 37 K HA -0.192 4.128 4.320 0.000 0.000 0.280 37 K C -0.323 176.349 176.600 0.120 0.000 0.949 37 K CA 0.833 57.172 56.287 0.086 0.000 0.817 37 K CB -0.983 31.565 32.500 0.081 0.000 1.535 37 K HN 0.501 nan 8.250 nan 0.000 0.444 38 E N 0.255 120.533 120.200 0.129 0.000 2.416 38 E HA 0.348 4.698 4.350 0.000 0.000 0.280 38 E C -0.338 176.433 176.600 0.285 0.000 1.055 38 E CA -0.494 56.020 56.400 0.191 0.000 0.825 38 E CB 1.896 31.690 29.700 0.157 0.000 1.312 38 E HN 0.322 nan 8.360 nan 0.000 0.452 39 D N -1.241 119.352 120.400 0.322 0.000 2.989 39 D HA 0.217 4.857 4.640 0.000 0.000 0.284 39 D C 1.036 177.390 176.300 0.091 0.000 1.212 39 D CA -0.277 53.859 54.000 0.226 0.000 1.055 39 D CB -0.085 40.792 40.800 0.129 0.000 1.351 39 D HN 0.344 nan 8.370 nan 0.000 0.611 40 H N -0.136 118.985 119.070 0.086 0.000 2.353 40 H HA -0.095 4.461 4.556 0.000 0.000 0.298 40 H C 1.624 176.857 175.328 -0.159 0.000 1.103 40 H CA 2.310 58.324 56.048 -0.057 0.000 1.293 40 H CB -0.631 29.148 29.762 0.029 0.000 1.372 40 H HN 0.454 nan 8.280 nan 0.000 0.501 41 T N 1.344 115.940 114.554 0.071 0.000 2.635 41 T HA -0.224 4.126 4.350 0.000 0.000 0.265 41 T C 2.291 176.955 174.700 -0.059 0.000 1.058 41 T CA 1.905 64.011 62.100 0.010 0.000 1.162 41 T CB -0.502 68.391 68.868 0.042 0.000 0.859 41 T HN 0.098 nan 8.240 nan 0.000 0.449 42 L N 0.027 121.225 121.223 -0.043 0.000 2.102 42 L HA 0.264 4.604 4.340 0.000 0.000 0.202 42 L C 2.665 179.312 176.870 -0.372 0.000 1.076 42 L CA 1.460 56.258 54.840 -0.070 0.000 0.761 42 L CB -1.028 41.117 42.059 0.144 0.000 0.921 42 L HN 0.333 nan 8.230 nan 0.000 0.444 43 G N -0.405 107.894 108.800 -0.835 0.000 2.587 43 G HA2 -0.432 3.528 3.960 0.000 0.000 0.217 43 G HA3 -0.432 3.528 3.960 0.000 0.000 0.217 43 G C 1.421 175.396 174.900 -1.541 0.000 1.240 43 G CA 1.148 45.124 45.100 -1.873 0.000 0.794 43 G HN 0.442 nan 8.290 nan 0.000 0.580 44 N N 0.054 117.999 118.700 -1.258 0.000 2.137 44 N HA -0.111 4.629 4.740 0.000 0.000 0.190 44 N C 2.098 177.369 175.510 -0.397 0.000 1.017 44 N CA 1.297 53.953 53.050 -0.656 0.000 0.859 44 N CB -0.356 37.986 38.487 -0.242 0.000 1.002 44 N HN 0.236 nan 8.380 nan 0.000 0.428 45 L N 0.497 121.523 121.223 -0.329 0.000 2.056 45 L HA 0.081 4.421 4.340 0.000 0.000 0.207 45 L C 1.898 178.659 176.870 -0.182 0.000 1.078 45 L CA 1.413 56.134 54.840 -0.198 0.000 0.749 45 L CB -0.457 41.519 42.059 -0.138 0.000 0.901 45 L HN 0.281 nan 8.230 nan 0.000 0.433 46 I N -1.270 119.161 120.570 -0.231 0.000 2.676 46 I HA -0.159 4.011 4.170 0.000 0.000 0.259 46 I C 2.464 178.485 176.117 -0.161 0.000 1.194 46 I CA 0.341 61.550 61.300 -0.152 0.000 1.473 46 I CB -0.424 37.495 38.000 -0.134 0.000 1.096 46 I HN 0.242 nan 8.210 nan 0.000 0.443 47 R N 1.603 121.948 120.500 -0.259 0.000 2.075 47 R HA -0.017 4.323 4.340 0.000 0.000 0.226 47 R C 2.237 178.458 176.300 -0.131 0.000 1.114 47 R CA 1.580 57.562 56.100 -0.195 0.000 0.972 47 R CB -0.369 29.793 30.300 -0.230 0.000 0.869 47 R HN 0.324 nan 8.270 nan 0.000 0.437 48 A N 1.458 124.199 122.820 -0.131 0.000 1.835 48 A HA -0.136 4.184 4.320 0.000 0.000 0.215 48 A C 2.024 179.570 177.584 -0.063 0.000 1.199 48 A CA 1.340 53.324 52.037 -0.088 0.000 0.615 48 A CB -0.561 18.389 19.000 -0.084 0.000 0.838 48 A HN 0.255 nan 8.150 nan 0.000 0.444 49 E N -0.102 120.064 120.200 -0.057 0.000 2.097 49 E HA -0.189 4.161 4.350 0.000 0.000 0.196 49 E C 1.972 178.561 176.600 -0.017 0.000 1.000 49 E CA 0.950 57.333 56.400 -0.029 0.000 0.804 49 E CB -0.541 29.148 29.700 -0.020 0.000 0.740 49 E HN 0.612 nan 8.360 nan 0.000 0.454 50 L N 0.162 121.369 121.223 -0.028 0.000 2.349 50 L HA -0.176 4.164 4.340 0.000 0.000 0.220 50 L C 1.510 178.367 176.870 -0.022 0.000 1.130 50 L CA 0.326 55.156 54.840 -0.016 0.000 0.791 50 L CB 0.015 42.056 42.059 -0.030 0.000 0.918 50 L HN 0.079 nan 8.230 nan 0.000 0.444 51 L N -0.176 121.023 121.223 -0.039 0.000 2.737 51 L HA 0.093 4.433 4.340 0.000 0.000 0.236 51 L C 1.081 177.942 176.870 -0.016 0.000 1.219 51 L CA 0.603 55.418 54.840 -0.041 0.000 1.021 51 L CB -0.647 41.374 42.059 -0.064 0.000 1.291 51 L HN 0.191 nan 8.230 nan 0.000 0.470 52 N N -1.649 117.052 118.700 0.002 0.000 2.529 52 N HA 0.009 4.749 4.740 0.000 0.000 0.231 52 N C 0.238 175.768 175.510 0.033 0.000 1.072 52 N CA -0.024 53.034 53.050 0.012 0.000 0.854 52 N CB 0.291 38.783 38.487 0.009 0.000 1.465 52 N HN 0.164 nan 8.380 nan 0.000 0.452 53 D N 2.791 123.224 120.400 0.055 0.000 2.419 53 D HA -0.077 4.563 4.640 0.000 0.000 0.281 53 D C 0.937 177.296 176.300 0.099 0.000 1.398 53 D CA 0.112 54.173 54.000 0.101 0.000 1.047 53 D CB 0.407 41.306 40.800 0.164 0.000 1.115 53 D HN -0.088 nan 8.370 nan 0.000 0.540 54 R N 2.847 123.387 120.500 0.068 0.000 2.355 54 R HA -0.129 4.211 4.340 0.000 0.000 0.219 54 R C 0.970 177.322 176.300 0.087 0.000 1.107 54 R CA 0.694 56.829 56.100 0.058 0.000 1.021 54 R CB 0.002 30.322 30.300 0.032 0.000 0.852 54 R HN 0.450 nan 8.270 nan 0.000 0.475 55 K N -0.413 120.075 120.400 0.147 0.000 2.410 55 K HA 0.144 4.464 4.320 0.000 0.000 0.200 55 K C -0.080 176.680 176.600 0.268 0.000 1.023 55 K CA 0.008 56.433 56.287 0.230 0.000 1.149 55 K CB 0.945 33.615 32.500 0.283 0.000 0.859 55 K HN -0.191 nan 8.250 nan 0.000 0.514 56 V N 2.481 122.496 119.914 0.169 0.000 2.304 56 V HA 0.122 4.242 4.120 0.000 0.000 0.269 56 V C 0.969 177.116 176.094 0.088 0.000 1.036 56 V CA -0.231 62.130 62.300 0.101 0.000 0.840 56 V CB 0.816 32.674 31.823 0.059 0.000 1.036 56 V HN 0.305 nan 8.190 nan 0.000 0.466 57 L N 4.440 125.730 121.223 0.112 0.000 2.275 57 L HA 0.136 4.476 4.340 0.000 0.000 0.215 57 L C 0.418 177.408 176.870 0.200 0.000 1.119 57 L CA 1.462 56.382 54.840 0.133 0.000 0.790 57 L CB -0.078 42.059 42.059 0.130 0.000 0.919 57 L HN 0.540 nan 8.230 nan 0.000 0.443 58 F N -0.549 119.418 119.950 0.028 0.000 2.665 58 F HA 0.656 5.184 4.527 0.000 0.000 0.308 58 F C -1.459 174.359 175.800 0.031 0.000 1.112 58 F CA -0.832 57.185 58.000 0.028 0.000 0.972 58 F CB 1.553 40.568 39.000 0.026 0.000 1.295 58 F HN -0.329 nan 8.300 nan 0.000 0.440 59 A N 3.615 125.757 122.820 -1.131 0.000 2.508 59 A HA 0.827 5.147 4.320 0.000 0.000 0.297 59 A C -1.856 175.341 177.584 -0.645 0.000 1.036 59 A CA 0.178 51.850 52.037 -0.609 0.000 0.957 59 A CB 0.347 19.200 19.000 -0.245 0.000 1.428 59 A HN 1.911 nan 8.150 nan 0.000 0.393 60 A N 1.385 123.988 122.820 -0.361 0.000 2.567 60 A HA 1.055 5.375 4.320 0.000 0.000 0.289 60 A C -1.183 176.491 177.584 0.151 0.000 1.177 60 A CA -0.187 51.792 52.037 -0.097 0.000 0.694 60 A CB 1.239 20.213 19.000 -0.044 0.000 1.292 60 A HN 2.262 nan 8.150 nan 0.000 0.425 61 Y N -0.530 119.747 120.300 -0.039 0.000 2.565 61 Y HA 0.677 5.227 4.550 0.000 0.000 0.330 61 Y C -1.168 174.722 175.900 -0.017 0.000 1.150 61 Y CA -0.827 57.257 58.100 -0.026 0.000 1.055 61 Y CB 1.274 39.613 38.460 -0.201 0.000 1.337 61 Y HN 0.914 nan 8.280 nan 0.000 0.457 62 K N 2.591 122.777 120.400 -0.358 0.000 2.477 62 K HA 0.731 5.051 4.320 0.000 0.000 0.255 62 K C -1.578 174.936 176.600 -0.143 0.000 0.952 62 K CA -1.048 54.997 56.287 -0.403 0.000 0.826 62 K CB 2.934 35.346 32.500 -0.146 0.000 1.331 62 K HN 0.912 nan 8.250 nan 0.000 0.437 63 V N 0.293 120.123 119.914 -0.139 0.000 2.259 63 V HA 0.206 4.326 4.120 0.000 0.000 0.267 63 V C 1.060 177.178 176.094 0.039 0.000 1.051 63 V CA -0.545 61.764 62.300 0.014 0.000 0.830 63 V CB 0.634 32.409 31.823 -0.080 0.000 1.080 63 V HN 0.875 nan 8.190 nan 0.000 0.467 64 E N 2.463 122.723 120.200 0.100 0.000 2.246 64 E HA -0.291 4.059 4.350 0.000 0.000 0.232 64 E C 0.598 177.268 176.600 0.117 0.000 1.087 64 E CA 2.843 59.312 56.400 0.115 0.000 0.964 64 E CB -0.147 29.657 29.700 0.173 0.000 0.827 64 E HN 1.071 nan 8.360 nan 0.000 0.476 65 H N -1.883 117.186 119.070 -0.003 0.000 3.087 65 H HA 0.109 4.665 4.556 0.000 0.000 0.348 65 H C -2.074 173.157 175.328 -0.162 0.000 1.092 65 H CA -0.946 55.018 56.048 -0.141 0.000 1.285 65 H CB 2.104 31.720 29.762 -0.243 0.000 1.875 65 H HN -0.222 nan 8.280 nan 0.000 0.512 66 P HA -0.249 nan 4.420 nan 0.000 0.216 66 P C 1.337 178.763 177.300 0.211 0.000 1.154 66 P CA 1.498 64.582 63.100 -0.027 0.000 0.865 66 P CB -0.038 31.584 31.700 -0.131 0.000 0.789 67 F N -1.246 118.756 119.950 0.086 0.000 2.271 67 F HA -0.110 4.417 4.527 0.000 0.000 0.302 67 F C 1.006 176.634 175.800 -0.287 0.000 1.063 67 F CA 0.151 57.960 58.000 -0.318 0.000 1.362 67 F CB -0.403 38.044 39.000 -0.921 0.000 1.060 67 F HN -0.153 nan 8.300 nan 0.000 0.521 68 F N -0.311 119.830 119.950 0.319 0.000 2.477 68 F HA 0.511 5.038 4.527 0.000 0.000 0.335 68 F C 0.220 176.100 175.800 0.134 0.000 1.130 68 F CA -1.406 56.695 58.000 0.168 0.000 0.948 68 F CB 1.099 40.170 39.000 0.119 0.000 1.154 68 F HN -0.353 nan 8.300 nan 0.000 0.439 69 A N 5.345 128.341 122.820 0.293 0.000 2.655 69 A HA 0.575 4.895 4.320 0.000 0.000 0.297 69 A C -0.017 177.672 177.584 0.175 0.000 1.461 69 A CA -0.138 52.022 52.037 0.205 0.000 1.146 69 A CB -0.641 18.462 19.000 0.172 0.000 1.108 69 A HN 0.924 nan 8.150 nan 0.000 0.550 70 R N 0.753 121.365 120.500 0.187 0.000 3.329 70 R HA 0.570 4.910 4.340 0.000 0.000 0.251 70 R C -1.149 175.266 176.300 0.191 0.000 1.023 70 R CA -0.766 55.399 56.100 0.107 0.000 1.009 70 R CB 0.198 30.551 30.300 0.089 0.000 1.250 70 R HN 0.849 nan 8.270 nan 0.000 0.518 71 F N -0.825 119.223 119.950 0.163 0.000 2.643 71 F HA 0.720 5.247 4.527 0.000 0.000 0.314 71 F C -1.237 174.688 175.800 0.208 0.000 1.096 71 F CA -1.335 56.755 58.000 0.149 0.000 0.953 71 F CB 1.950 41.043 39.000 0.155 0.000 1.345 71 F HN 0.436 nan 8.300 nan 0.000 0.468 72 K N 1.771 122.471 120.400 0.500 0.000 2.182 72 K HA 0.667 4.987 4.320 0.000 0.000 0.262 72 K C -1.823 175.083 176.600 0.510 0.000 0.957 72 K CA -0.985 55.542 56.287 0.401 0.000 0.842 72 K CB 2.310 34.953 32.500 0.238 0.000 1.099 72 K HN 0.693 nan 8.250 nan 0.000 0.438 73 L N 3.057 124.571 121.223 0.484 0.000 2.343 73 L HA 0.387 4.727 4.340 0.000 0.000 0.278 73 L C -0.898 176.159 176.870 0.312 0.000 0.996 73 L CA -0.356 54.731 54.840 0.412 0.000 0.831 73 L CB 1.402 43.731 42.059 0.450 0.000 1.232 73 L HN 0.527 nan 8.230 nan 0.000 0.413 74 R N 5.787 126.458 120.500 0.285 0.000 2.255 74 R HA 0.691 5.031 4.340 0.000 0.000 0.326 74 R C -1.358 175.126 176.300 0.307 0.000 0.986 74 R CA -0.432 55.849 56.100 0.301 0.000 0.847 74 R CB 0.672 31.201 30.300 0.382 0.000 1.111 74 R HN 0.755 nan 8.270 nan 0.000 0.452 75 I N 3.828 124.537 120.570 0.232 0.000 2.465 75 I HA 0.276 4.446 4.170 0.000 0.000 0.291 75 I C -0.643 175.574 176.117 0.167 0.000 1.014 75 I CA -0.809 60.595 61.300 0.173 0.000 1.093 75 I CB 2.121 40.174 38.000 0.088 0.000 1.267 75 I HN 0.565 nan 8.210 nan 0.000 0.431 76 Q N 5.328 125.246 119.800 0.197 0.000 2.337 76 Q HA 0.671 5.011 4.340 0.000 0.000 0.270 76 Q C -1.199 174.856 176.000 0.091 0.000 1.043 76 Q CA -0.521 55.370 55.803 0.146 0.000 0.794 76 Q CB 2.295 31.158 28.738 0.209 0.000 1.281 76 Q HN 0.784 nan 8.270 nan 0.000 0.446 77 T N -0.382 114.196 114.554 0.040 0.000 2.906 77 T HA 0.561 4.911 4.350 0.000 0.000 0.295 77 T C 0.070 174.825 174.700 0.093 0.000 1.075 77 T CA -0.410 61.715 62.100 0.043 0.000 1.005 77 T CB 1.254 70.049 68.868 -0.123 0.000 1.136 77 T HN 0.707 nan 8.240 nan 0.000 0.498 78 T N -0.016 114.630 114.554 0.152 0.000 2.908 78 T HA 0.222 4.572 4.350 0.000 0.000 0.325 78 T C 0.397 175.178 174.700 0.135 0.000 1.092 78 T CA -0.491 61.689 62.100 0.134 0.000 1.125 78 T CB 0.075 69.024 68.868 0.135 0.000 1.016 78 T HN 0.859 nan 8.240 nan 0.000 0.550 79 E N 0.617 120.873 120.200 0.093 0.000 2.458 79 E HA 0.317 4.667 4.350 0.000 0.000 0.264 79 E C 1.667 178.330 176.600 0.104 0.000 1.097 79 E CA 1.405 57.854 56.400 0.081 0.000 0.973 79 E CB -0.554 29.179 29.700 0.055 0.000 0.963 79 E HN 1.086 nan 8.360 nan 0.000 0.451 80 G N 2.259 111.114 108.800 0.092 0.000 2.412 80 G HA2 -0.365 3.595 3.960 0.000 0.000 0.252 80 G HA3 -0.365 3.595 3.960 0.000 0.000 0.252 80 G C 0.194 175.194 174.900 0.167 0.000 1.038 80 G CA 0.747 45.905 45.100 0.097 0.000 0.628 80 G HN 0.627 nan 8.290 nan 0.000 0.531 81 Y N 2.280 122.593 120.300 0.022 0.000 2.327 81 Y HA 0.484 5.034 4.550 0.000 0.000 0.336 81 Y C -0.082 175.835 175.900 0.028 0.000 1.035 81 Y CA -0.903 57.211 58.100 0.024 0.000 1.165 81 Y CB 0.855 39.331 38.460 0.026 0.000 1.181 81 Y HN 0.221 nan 8.280 nan 0.000 0.494 82 D N 8.553 129.019 120.400 0.110 0.000 2.256 82 D HA 0.115 4.755 4.640 0.000 0.000 0.250 82 D C -1.878 174.228 176.300 -0.324 0.000 1.093 82 D CA -2.138 51.819 54.000 -0.071 0.000 0.882 82 D CB 2.246 43.050 40.800 0.006 0.000 1.185 82 D HN 0.349 nan 8.370 nan 0.000 0.437 83 P HA -0.138 nan 4.420 nan 0.000 0.216 83 P C 0.953 178.160 177.300 -0.155 0.000 1.153 83 P CA 1.086 64.038 63.100 -0.246 0.000 0.844 83 P CB 0.455 32.092 31.700 -0.105 0.000 0.787 84 K N -0.111 120.240 120.400 -0.082 0.000 2.074 84 K HA -0.175 4.145 4.320 0.000 0.000 0.209 84 K C 1.899 178.482 176.600 -0.028 0.000 1.048 84 K CA 1.646 57.912 56.287 -0.036 0.000 0.926 84 K CB -0.627 31.861 32.500 -0.021 0.000 0.713 84 K HN 0.175 nan 8.250 nan 0.000 0.444 85 D N 0.765 121.143 120.400 -0.038 0.000 2.097 85 D HA -0.110 4.530 4.640 0.000 0.000 0.197 85 D C 2.027 178.344 176.300 0.027 0.000 0.984 85 D CA 1.328 55.348 54.000 0.035 0.000 0.826 85 D CB -0.220 40.668 40.800 0.146 0.000 0.973 85 D HN 0.199 nan 8.370 nan 0.000 0.460 86 A N 1.267 123.998 122.820 -0.148 0.000 1.927 86 A HA -0.220 4.100 4.320 0.000 0.000 0.220 86 A C 2.196 179.784 177.584 0.007 0.000 1.185 86 A CA 1.416 53.390 52.037 -0.106 0.000 0.639 86 A CB -0.854 17.946 19.000 -0.333 0.000 0.820 86 A HN 0.263 nan 8.150 nan 0.000 0.451 87 L N -0.247 120.976 121.223 0.000 0.000 2.017 87 L HA -0.165 4.175 4.340 0.000 0.000 0.208 87 L C 2.225 179.133 176.870 0.063 0.000 1.073 87 L CA 2.359 57.231 54.840 0.053 0.000 0.745 87 L CB -0.680 41.424 42.059 0.075 0.000 0.894 87 L HN 0.391 nan 8.230 nan 0.000 0.432 88 K N -0.326 120.105 120.400 0.052 0.000 1.987 88 K HA -0.200 4.120 4.320 0.000 0.000 0.216 88 K C 1.920 178.556 176.600 0.060 0.000 1.051 88 K CA 1.826 58.145 56.287 0.054 0.000 0.942 88 K CB -0.477 32.053 32.500 0.051 0.000 0.722 88 K HN 0.467 nan 8.250 nan 0.000 0.444 89 N N 1.050 119.795 118.700 0.075 0.000 2.011 89 N HA -0.234 4.506 4.740 0.000 0.000 0.199 89 N C 1.951 177.497 175.510 0.059 0.000 1.047 89 N CA 1.690 54.785 53.050 0.075 0.000 0.863 89 N CB -0.686 37.865 38.487 0.108 0.000 1.056 89 N HN 0.234 nan 8.380 nan 0.000 0.427 90 A N 1.157 124.014 122.820 0.061 0.000 1.971 90 A HA -0.246 4.074 4.320 0.000 0.000 0.222 90 A C 2.782 180.388 177.584 0.037 0.000 1.182 90 A CA 1.850 53.913 52.037 0.043 0.000 0.649 90 A CB -1.177 17.845 19.000 0.037 0.000 0.818 90 A HN 0.521 nan 8.150 nan 0.000 0.458 91 C N -0.813 118.516 119.300 0.048 0.000 2.541 91 C HA -0.068 4.392 4.460 0.000 0.000 0.282 91 C C 2.707 177.719 174.990 0.036 0.000 1.263 91 C CA 0.933 59.980 59.018 0.048 0.000 1.709 91 C CB -1.458 26.319 27.740 0.062 0.000 2.097 91 C HN 0.689 nan 8.230 nan 0.000 0.480 92 N N 1.058 119.780 118.700 0.037 0.000 2.036 92 N HA -0.171 4.569 4.740 0.000 0.000 0.195 92 N C 1.929 177.453 175.510 0.024 0.000 1.037 92 N CA 1.876 54.944 53.050 0.030 0.000 0.855 92 N CB -0.916 37.590 38.487 0.031 0.000 1.033 92 N HN 0.541 nan 8.380 nan 0.000 0.423 93 S N 1.104 116.819 115.700 0.026 0.000 2.378 93 S HA -0.159 4.311 4.470 0.000 0.000 0.229 93 S C 2.081 176.689 174.600 0.013 0.000 1.052 93 S CA 1.111 59.323 58.200 0.020 0.000 1.084 93 S CB -0.366 62.848 63.200 0.023 0.000 0.950 93 S HN 0.274 nan 8.310 nan 0.000 0.440 94 I N 1.097 121.674 120.570 0.012 0.000 2.142 94 I HA -0.195 3.975 4.170 0.000 0.000 0.240 94 I C 2.303 178.424 176.117 0.006 0.000 1.078 94 I CA 1.675 62.977 61.300 0.004 0.000 1.343 94 I CB -0.484 37.517 38.000 0.001 0.000 1.046 94 I HN 0.389 nan 8.210 nan 0.000 0.405 95 I N 0.786 121.363 120.570 0.012 0.000 2.118 95 I HA -0.353 3.817 4.170 0.000 0.000 0.241 95 I C 2.293 178.416 176.117 0.010 0.000 1.070 95 I CA 1.447 62.753 61.300 0.011 0.000 1.327 95 I CB -0.843 37.166 38.000 0.015 0.000 1.034 95 I HN 0.328 nan 8.210 nan 0.000 0.405 96 N N 1.588 120.296 118.700 0.012 0.000 2.036 96 N HA -0.210 4.530 4.740 0.000 0.000 0.195 96 N C 1.746 177.263 175.510 0.012 0.000 1.037 96 N CA 1.594 54.652 53.050 0.013 0.000 0.855 96 N CB -0.433 38.063 38.487 0.014 0.000 1.033 96 N HN 0.449 nan 8.380 nan 0.000 0.423 97 K N 0.851 121.257 120.400 0.009 0.000 2.032 97 K HA -0.075 4.245 4.320 0.000 0.000 0.209 97 K C 2.244 178.849 176.600 0.008 0.000 1.048 97 K CA 0.902 57.194 56.287 0.008 0.000 0.927 97 K CB -0.354 32.148 32.500 0.003 0.000 0.712 97 K HN 0.171 nan 8.250 nan 0.000 0.441 98 L N 0.366 121.590 121.223 0.002 0.000 2.083 98 L HA -0.135 4.205 4.340 0.000 0.000 0.209 98 L C 2.590 179.463 176.870 0.005 0.000 1.083 98 L CA 1.274 56.112 54.840 -0.003 0.000 0.752 98 L CB -0.952 41.101 42.059 -0.010 0.000 0.899 98 L HN 0.372 nan 8.230 nan 0.000 0.433 99 G N -0.184 108.622 108.800 0.010 0.000 2.453 99 G HA2 -0.263 3.697 3.960 0.000 0.000 0.215 99 G HA3 -0.263 3.697 3.960 0.000 0.000 0.215 99 G C 1.798 176.714 174.900 0.026 0.000 1.201 99 G CA 0.885 45.995 45.100 0.016 0.000 0.784 99 G HN 0.446 nan 8.290 nan 0.000 0.545 100 A N 0.626 123.462 122.820 0.025 0.000 1.884 100 A HA -0.096 4.224 4.320 0.000 0.000 0.219 100 A C 2.452 180.064 177.584 0.046 0.000 1.197 100 A CA 1.780 53.837 52.037 0.032 0.000 0.637 100 A CB -0.751 18.265 19.000 0.027 0.000 0.827 100 A HN 0.419 nan 8.150 nan 0.000 0.450 101 L N -0.647 120.601 121.223 0.042 0.000 2.081 101 L HA -0.249 4.091 4.340 0.000 0.000 0.212 101 L C 2.631 179.554 176.870 0.089 0.000 1.080 101 L CA 2.333 57.208 54.840 0.058 0.000 0.754 101 L CB -0.280 41.796 42.059 0.028 0.000 0.893 101 L HN 0.559 nan 8.230 nan 0.000 0.433 102 K N -0.982 119.454 120.400 0.060 0.000 2.002 102 K HA -0.187 4.133 4.320 0.000 0.000 0.209 102 K C 1.878 178.556 176.600 0.129 0.000 1.048 102 K CA 2.089 58.423 56.287 0.078 0.000 0.930 102 K CB -0.227 32.295 32.500 0.036 0.000 0.714 102 K HN 0.307 nan 8.250 nan 0.000 0.438 103 T N 1.854 116.461 114.554 0.088 0.000 2.544 103 T HA -0.177 4.173 4.350 0.000 0.000 0.264 103 T C 1.601 176.360 174.700 0.098 0.000 1.096 103 T CA 1.932 64.080 62.100 0.080 0.000 1.181 103 T CB -0.652 68.248 68.868 0.054 0.000 0.864 103 T HN 0.337 nan 8.240 nan 0.000 0.415 104 N N 0.881 119.637 118.700 0.093 0.000 2.096 104 N HA -0.129 4.611 4.740 0.000 0.000 0.195 104 N C 1.513 177.095 175.510 0.121 0.000 1.017 104 N CA 1.229 54.333 53.050 0.090 0.000 0.870 104 N CB -0.762 37.775 38.487 0.084 0.000 1.024 104 N HN 0.436 nan 8.380 nan 0.000 0.434 105 F N 1.852 121.827 119.950 0.043 0.000 2.146 105 F HA -0.085 4.442 4.527 0.000 0.000 0.298 105 F C 2.110 177.974 175.800 0.106 0.000 1.096 105 F CA 1.300 59.337 58.000 0.062 0.000 1.275 105 F CB -0.175 38.841 39.000 0.027 0.000 1.008 105 F HN 0.046 nan 8.300 nan 0.000 0.480 106 E N -0.349 119.940 120.200 0.147 0.000 2.085 106 E HA -0.193 4.158 4.350 0.000 0.000 0.194 106 E C 2.087 178.711 176.600 0.039 0.000 0.994 106 E CA 1.825 58.277 56.400 0.087 0.000 0.801 106 E CB -0.449 29.329 29.700 0.129 0.000 0.743 106 E HN 0.399 nan 8.360 nan 0.000 0.453 107 T N 1.474 116.044 114.554 0.026 0.000 2.529 107 T HA -0.207 4.143 4.350 0.000 0.000 0.261 107 T C 1.642 176.321 174.700 -0.035 0.000 1.110 107 T CA 1.325 63.428 62.100 0.006 0.000 1.192 107 T CB -0.363 68.511 68.868 0.010 0.000 0.864 107 T HN 0.139 nan 8.240 nan 0.000 0.407 108 E N 0.134 120.294 120.200 -0.066 0.000 2.169 108 E HA -0.201 4.149 4.350 0.000 0.000 0.202 108 E C 1.856 178.367 176.600 -0.148 0.000 1.016 108 E CA 1.163 57.500 56.400 -0.105 0.000 0.817 108 E CB -0.359 29.274 29.700 -0.112 0.000 0.736 108 E HN 0.690 nan 8.360 nan 0.000 0.462 109 W N 1.723 122.788 121.300 -0.391 0.000 2.418 109 W HA -0.106 4.554 4.660 0.000 0.000 0.292 109 W C 1.395 177.805 176.519 -0.181 0.000 1.213 109 W CA 0.966 58.093 57.345 -0.363 0.000 1.283 109 W CB -0.181 28.967 29.460 -0.520 0.000 1.119 109 W HN 0.048 nan 8.180 nan 0.000 0.542 110 N N 1.319 119.984 118.700 -0.058 0.000 2.188 110 N HA -0.120 4.620 4.740 0.000 0.000 0.184 110 N C 1.383 176.795 175.510 -0.164 0.000 1.018 110 N CA 1.364 54.361 53.050 -0.088 0.000 0.858 110 N CB -0.820 37.671 38.487 0.008 0.000 0.989 110 N HN 0.235 nan 8.380 nan 0.000 0.426 111 L N 1.393 122.531 121.223 -0.140 0.000 2.912 111 L HA 0.147 4.487 4.340 0.000 0.000 0.246 111 L C 0.178 176.937 176.870 -0.186 0.000 1.371 111 L CA 0.243 55.005 54.840 -0.130 0.000 1.196 111 L CB -0.503 41.502 42.059 -0.089 0.000 1.596 111 L HN -0.018 nan 8.230 nan 0.000 0.429 112 Q N 0.105 119.739 119.800 -0.278 0.000 2.544 112 Q HA 0.641 4.981 4.340 0.000 0.000 0.291 112 Q C -0.591 175.222 176.000 -0.312 0.000 1.068 112 Q CA -0.437 55.164 55.803 -0.336 0.000 0.785 112 Q CB 2.936 31.341 28.738 -0.554 0.000 1.481 112 Q HN 0.092 nan 8.270 nan 0.000 0.430 113 T N 0.447 114.840 114.554 -0.269 0.000 2.909 113 T HA 0.784 5.134 4.350 0.000 0.000 0.299 113 T C -0.330 174.252 174.700 -0.197 0.000 1.073 113 T CA -0.585 61.392 62.100 -0.203 0.000 0.999 113 T CB 1.507 70.297 68.868 -0.130 0.000 1.098 113 T HN 0.622 nan 8.240 nan 0.000 0.477 114 L N 0.000 121.130 121.223 -0.155 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.777 54.840 -0.105 0.000 0.813 114 L CB 0.000 42.005 42.059 -0.091 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502