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 3gtp_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 0.000 176.279 176.300 -0.036 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.029 0.000 0.988 1 M CB 0.000 32.588 32.600 -0.019 0.000 1.302 2 N N 1.526 120.199 118.700 -0.044 0.000 2.392 2 N HA 0.197 4.937 4.740 0.000 0.000 0.177 2 N C 0.642 176.100 175.510 -0.087 0.000 1.066 2 N CA 0.587 53.605 53.050 -0.052 0.000 0.895 2 N CB 0.511 38.973 38.487 -0.042 0.000 0.988 2 N HN 0.400 nan 8.380 nan 0.000 0.457 3 A N 2.849 125.608 122.820 -0.102 0.000 2.624 3 A HA 0.031 4.351 4.320 0.000 0.000 0.231 3 A C -2.039 175.453 177.584 -0.152 0.000 1.034 3 A CA -0.115 51.838 52.037 -0.141 0.000 0.754 3 A CB -0.293 18.637 19.000 -0.115 0.000 0.953 3 A HN 0.098 nan 8.150 nan 0.000 0.509 4 P HA 0.280 nan 4.420 nan 0.000 0.295 4 P C -1.039 176.101 177.300 -0.267 0.000 1.397 4 P CA -0.686 62.284 63.100 -0.216 0.000 0.903 4 P CB 0.831 32.393 31.700 -0.230 0.000 1.028 5 D N 3.757 123.956 120.400 -0.335 0.000 2.730 5 D HA -0.122 4.519 4.640 0.000 0.000 0.225 5 D C 1.552 177.568 176.300 -0.473 0.000 1.107 5 D CA 0.372 54.111 54.000 -0.436 0.000 0.837 5 D CB 0.931 41.288 40.800 -0.737 0.000 1.171 5 D HN 0.221 nan 8.370 nan 0.000 0.498 6 R N 2.769 123.132 120.500 -0.229 0.000 2.168 6 R HA -0.240 4.100 4.340 0.000 0.000 0.242 6 R C 2.256 178.478 176.300 -0.130 0.000 1.123 6 R CA 1.579 57.629 56.100 -0.085 0.000 0.928 6 R CB -1.448 28.901 30.300 0.082 0.000 0.873 6 R HN 0.704 nan 8.270 nan 0.000 0.434 7 F N 1.816 121.736 119.950 -0.051 0.000 2.380 7 F HA -0.131 4.395 4.527 -0.003 0.000 0.299 7 F C 0.923 176.401 175.800 -0.536 0.000 1.064 7 F CA 0.926 58.663 58.000 -0.439 0.000 1.432 7 F CB -0.979 37.786 39.000 -0.390 0.000 1.089 7 F HN 0.116 nan 8.300 nan 0.000 0.562 8 E N 0.630 120.566 120.200 -0.439 0.000 2.416 8 E HA 0.082 4.432 4.350 0.000 0.000 0.189 8 E C 1.681 178.247 176.600 -0.057 0.000 1.091 8 E CA -0.061 56.215 56.400 -0.207 0.000 0.889 8 E CB -0.233 29.301 29.700 -0.277 0.000 1.015 8 E HN 0.569 nan 8.360 nan 0.000 0.479 9 L N -0.574 120.651 121.223 0.002 0.000 2.463 9 L HA 0.096 4.436 4.340 0.000 0.000 0.219 9 L C 1.334 178.400 176.870 0.326 0.000 1.088 9 L CA 0.581 55.545 54.840 0.206 0.000 0.849 9 L CB 0.202 42.454 42.059 0.323 0.000 1.012 9 L HN 0.309 nan 8.230 nan 0.000 0.468 10 F N -3.885 116.131 119.950 0.110 0.000 2.912 10 F HA 0.356 4.884 4.527 0.002 0.000 0.357 10 F C 0.058 175.921 175.800 0.104 0.000 1.003 10 F CA -0.731 57.328 58.000 0.098 0.000 1.132 10 F CB 0.207 39.254 39.000 0.079 0.000 1.055 10 F HN -0.300 nan 8.300 nan 0.000 0.572 11 L N 2.979 124.053 121.223 -0.248 0.000 2.289 11 L HA 0.447 4.788 4.340 0.000 0.000 0.285 11 L C -0.285 176.577 176.870 -0.013 0.000 1.049 11 L CA -0.779 53.986 54.840 -0.124 0.000 0.804 11 L CB 1.168 43.092 42.059 -0.224 0.000 1.195 11 L HN 0.053 nan 8.230 nan 0.000 0.428 12 L N 2.540 123.770 121.223 0.011 0.000 2.456 12 L HA 0.367 4.707 4.340 0.000 0.000 0.272 12 L C 1.214 178.094 176.870 0.017 0.000 1.189 12 L CA 0.672 55.523 54.840 0.020 0.000 0.846 12 L CB 0.474 42.542 42.059 0.015 0.000 1.111 12 L HN 0.750 nan 8.230 nan 0.000 0.475 13 G N 1.751 110.565 108.800 0.024 0.000 2.935 13 G HA2 0.205 4.165 3.960 0.000 0.000 0.157 13 G HA3 0.205 4.165 3.960 0.000 0.000 0.157 13 G C -0.431 174.474 174.900 0.008 0.000 1.712 13 G CA -0.269 44.848 45.100 0.027 0.000 1.071 13 G HN 0.592 nan 8.290 nan 0.000 0.539 14 E N -1.205 118.997 120.200 0.004 0.000 2.212 14 E HA 0.464 4.815 4.350 0.000 0.000 0.268 14 E C 0.422 177.015 176.600 -0.012 0.000 0.902 14 E CA -0.110 56.287 56.400 -0.005 0.000 0.779 14 E CB 1.610 31.308 29.700 -0.004 0.000 1.172 14 E HN 0.818 nan 8.360 nan 0.000 0.409 15 G N 2.343 111.134 108.800 -0.015 0.000 2.203 15 G HA2 -0.328 3.632 3.960 0.000 0.000 0.263 15 G HA3 -0.328 3.632 3.960 0.000 0.000 0.263 15 G C -0.241 174.645 174.900 -0.024 0.000 1.012 15 G CA 0.549 45.638 45.100 -0.019 0.000 0.749 15 G HN 0.499 nan 8.290 nan 0.000 0.512 16 E N 0.151 120.338 120.200 -0.022 0.000 2.187 16 E HA 0.558 4.908 4.350 0.000 0.000 0.268 16 E C -0.334 176.250 176.600 -0.027 0.000 0.896 16 E CA -0.489 55.895 56.400 -0.026 0.000 0.766 16 E CB 1.558 31.246 29.700 -0.019 0.000 1.142 16 E HN 0.209 nan 8.360 nan 0.000 0.408 17 S N 2.067 117.744 115.700 -0.039 0.000 2.651 17 S HA 0.214 4.685 4.470 0.000 0.000 0.291 17 S C 0.824 175.390 174.600 -0.056 0.000 1.141 17 S CA -0.952 57.220 58.200 -0.046 0.000 1.027 17 S CB 1.712 64.877 63.200 -0.059 0.000 1.043 17 S HN 0.422 nan 8.310 nan 0.000 0.530 18 K N 0.341 120.709 120.400 -0.053 0.000 2.365 18 K HA 0.159 4.479 4.320 0.000 0.000 0.199 18 K C -0.288 176.217 176.600 -0.158 0.000 1.045 18 K CA 0.752 57.004 56.287 -0.057 0.000 0.962 18 K CB -0.270 32.219 32.500 -0.019 0.000 0.759 18 K HN 0.532 nan 8.250 nan 0.000 0.469 19 L N 0.752 121.867 121.223 -0.181 0.000 2.445 19 L HA 0.367 4.707 4.340 0.000 0.000 0.262 19 L C -0.703 176.055 176.870 -0.187 0.000 0.974 19 L CA -0.858 53.815 54.840 -0.277 0.000 0.822 19 L CB 2.334 44.188 42.059 -0.341 0.000 1.339 19 L HN -0.241 nan 8.230 nan 0.000 0.409 20 K N 3.161 123.445 120.400 -0.193 0.000 2.376 20 K HA 0.638 4.958 4.320 0.000 0.000 0.257 20 K C -1.678 174.839 176.600 -0.139 0.000 0.939 20 K CA -0.491 55.716 56.287 -0.133 0.000 0.809 20 K CB 2.311 34.752 32.500 -0.098 0.000 1.121 20 K HN 0.603 nan 8.250 nan 0.000 0.425 21 I N 3.564 124.071 120.570 -0.105 0.000 2.378 21 I HA 0.332 4.502 4.170 0.000 0.000 0.291 21 I C -1.297 174.789 176.117 -0.051 0.000 0.992 21 I CA -0.353 60.897 61.300 -0.084 0.000 1.154 21 I CB 1.270 39.223 38.000 -0.079 0.000 1.315 21 I HN 0.712 nan 8.210 nan 0.000 0.448 22 D N 8.354 128.732 120.400 -0.035 0.000 2.819 22 D HA 0.414 5.054 4.640 0.000 0.000 0.232 22 D C -2.709 173.586 176.300 -0.009 0.000 1.160 22 D CA -1.032 52.955 54.000 -0.022 0.000 0.858 22 D CB 2.513 43.301 40.800 -0.021 0.000 1.610 22 D HN 0.173 nan 8.370 nan 0.000 0.481 23 P HA 0.146 nan 4.420 nan 0.000 0.287 23 P C -0.295 177.003 177.300 -0.003 0.000 1.281 23 P CA -0.421 62.677 63.100 -0.004 0.000 0.781 23 P CB 0.955 32.651 31.700 -0.006 0.000 0.903 24 D N 2.247 122.647 120.400 -0.000 0.000 2.458 24 D HA -0.011 4.629 4.640 0.000 0.000 0.243 24 D C 1.086 177.378 176.300 -0.015 0.000 1.146 24 D CA 0.543 54.539 54.000 -0.006 0.000 0.877 24 D CB 0.965 41.759 40.800 -0.011 0.000 1.176 24 D HN 0.341 nan 8.370 nan 0.000 0.461 25 T N 1.333 115.877 114.554 -0.016 0.000 3.067 25 T HA -0.029 4.321 4.350 0.000 0.000 0.261 25 T C 1.497 176.183 174.700 -0.023 0.000 1.110 25 T CA 0.330 62.420 62.100 -0.017 0.000 1.113 25 T CB 0.358 69.218 68.868 -0.014 0.000 0.917 25 T HN 0.244 nan 8.240 nan 0.000 0.499 26 K N 2.319 122.699 120.400 -0.033 0.000 1.975 26 K HA 0.349 4.669 4.320 0.000 0.000 0.210 26 K C 1.647 178.219 176.600 -0.047 0.000 1.041 26 K CA 1.038 57.300 56.287 -0.043 0.000 0.942 26 K CB -0.908 31.555 32.500 -0.061 0.000 0.729 26 K HN 0.505 nan 8.250 nan 0.000 0.439 27 A N 2.776 125.561 122.820 -0.059 0.000 2.249 27 A HA 0.423 4.743 4.320 0.000 0.000 0.281 27 A C -2.236 175.329 177.584 -0.032 0.000 1.127 27 A CA -0.949 51.055 52.037 -0.054 0.000 0.833 27 A CB -0.340 18.612 19.000 -0.079 0.000 1.140 27 A HN 0.128 nan 8.150 nan 0.000 0.502 28 P HA 0.336 nan 4.420 nan 0.000 0.287 28 P C -0.557 176.739 177.300 -0.007 0.000 1.290 28 P CA -0.700 62.393 63.100 -0.011 0.000 0.889 28 P CB 0.699 32.395 31.700 -0.006 0.000 1.190 29 N N -1.203 117.497 118.700 -0.000 0.000 2.727 29 N HA -0.180 4.560 4.740 0.000 0.000 0.249 29 N C -1.249 174.263 175.510 0.002 0.000 1.048 29 N CA 1.058 54.110 53.050 0.003 0.000 0.714 29 N CB -1.417 37.075 38.487 0.009 0.000 0.959 29 N HN 0.697 nan 8.380 nan 0.000 0.544 30 A N -0.728 122.093 122.820 0.002 0.000 2.449 30 A HA 0.822 5.142 4.320 0.000 0.000 0.302 30 A C -0.702 176.893 177.584 0.017 0.000 1.048 30 A CA -0.358 51.686 52.037 0.012 0.000 0.708 30 A CB 2.458 21.453 19.000 -0.009 0.000 1.274 30 A HN 0.242 nan 8.150 nan 0.000 0.410 31 V N 1.247 121.185 119.914 0.041 0.000 2.891 31 V HA 0.512 4.633 4.120 0.000 0.000 0.304 31 V C -1.160 174.975 176.094 0.068 0.000 1.171 31 V CA -0.506 61.816 62.300 0.037 0.000 0.943 31 V CB 2.041 33.877 31.823 0.021 0.000 1.037 31 V HN 1.225 nan 8.190 nan 0.000 0.427 32 V N 7.011 126.958 119.914 0.054 0.000 2.325 32 V HA 0.604 4.724 4.120 0.000 0.000 0.280 32 V C -0.345 175.769 176.094 0.033 0.000 1.016 32 V CA -0.200 62.143 62.300 0.072 0.000 0.818 32 V CB 0.962 32.828 31.823 0.072 0.000 1.019 32 V HN 0.686 nan 8.190 nan 0.000 0.434 33 I N 5.213 125.806 120.570 0.039 0.000 2.472 33 I HA 0.413 4.584 4.170 0.000 0.000 0.290 33 I C 0.785 176.861 176.117 -0.067 0.000 1.016 33 I CA -0.024 61.240 61.300 -0.060 0.000 1.348 33 I CB 1.429 39.349 38.000 -0.133 0.000 1.417 33 I HN 0.383 nan 8.210 nan 0.000 0.521 34 T N 4.947 119.396 114.554 -0.175 0.000 2.922 34 T HA 0.478 4.828 4.350 0.000 0.000 0.285 34 T C -0.678 173.774 174.700 -0.412 0.000 1.005 34 T CA 0.042 62.035 62.100 -0.178 0.000 1.061 34 T CB 0.449 69.248 68.868 -0.116 0.000 1.007 34 T HN 0.229 nan 8.240 nan 0.000 0.502 35 F N 2.311 122.013 119.950 -0.414 0.000 2.646 35 F HA 0.287 4.814 4.527 -0.000 0.000 0.364 35 F C 0.623 176.299 175.800 -0.207 0.000 1.137 35 F CA -0.940 56.805 58.000 -0.426 0.000 1.085 35 F CB 1.080 39.441 39.000 -1.065 0.000 1.331 35 F HN 0.397 nan 8.300 nan 0.000 0.472 36 E N 3.306 123.510 120.200 0.007 0.000 2.408 36 E HA 0.092 4.442 4.350 0.000 0.000 0.259 36 E C 0.169 176.850 176.600 0.134 0.000 1.110 36 E CA -0.156 56.278 56.400 0.057 0.000 0.929 36 E CB 0.480 30.187 29.700 0.013 0.000 0.971 36 E HN 0.288 nan 8.360 nan 0.000 0.438 37 K N 1.826 122.312 120.400 0.143 0.000 3.777 37 K HA -0.213 4.107 4.320 0.000 0.000 0.276 37 K C -0.058 176.674 176.600 0.220 0.000 0.877 37 K CA 1.040 57.431 56.287 0.173 0.000 0.724 37 K CB -1.107 31.481 32.500 0.147 0.000 1.589 37 K HN 0.474 nan 8.250 nan 0.000 0.444 38 E N -0.106 120.251 120.200 0.263 0.000 2.343 38 E HA 0.481 4.831 4.350 0.000 0.000 0.257 38 E C -0.262 176.501 176.600 0.272 0.000 1.079 38 E CA -0.345 56.237 56.400 0.303 0.000 0.891 38 E CB 1.508 31.499 29.700 0.484 0.000 1.732 38 E HN 0.322 nan 8.360 nan 0.000 0.465 39 D N -1.757 118.694 120.400 0.084 0.000 3.235 39 D HA 0.062 4.702 4.640 0.000 0.000 0.360 39 D C 0.718 176.703 176.300 -0.525 0.000 1.465 39 D CA -0.300 53.576 54.000 -0.207 0.000 0.874 39 D CB -0.290 40.411 40.800 -0.165 0.000 1.465 39 D HN 0.316 nan 8.370 nan 0.000 0.533 40 H N 0.044 118.931 119.070 -0.305 0.000 2.290 40 H HA -0.026 4.531 4.556 0.001 0.000 0.298 40 H C 1.617 176.712 175.328 -0.387 0.000 1.087 40 H CA 2.529 58.364 56.048 -0.354 0.000 1.291 40 H CB -0.983 28.723 29.762 -0.093 0.000 1.369 40 H HN 0.516 nan 8.280 nan 0.000 0.492 41 T N 1.010 115.491 114.554 -0.122 0.000 2.848 41 T HA -0.144 4.206 4.350 0.000 0.000 0.269 41 T C 2.086 176.656 174.700 -0.217 0.000 1.081 41 T CA 1.345 63.364 62.100 -0.135 0.000 1.125 41 T CB -0.194 68.621 68.868 -0.089 0.000 0.848 41 T HN 0.118 nan 8.240 nan 0.000 0.503 42 L N -0.403 120.608 121.223 -0.352 0.000 2.547 42 L HA 0.468 4.808 4.340 0.000 0.000 0.218 42 L C 2.357 178.790 176.870 -0.728 0.000 1.048 42 L CA 0.771 55.370 54.840 -0.402 0.000 0.859 42 L CB -0.505 41.418 42.059 -0.228 0.000 1.128 42 L HN 0.184 nan 8.230 nan 0.000 0.483 43 G N -0.246 107.715 108.800 -1.399 0.000 2.464 43 G HA2 -0.325 3.635 3.960 0.000 0.000 0.214 43 G HA3 -0.325 3.635 3.960 0.000 0.000 0.214 43 G C 1.325 175.447 174.900 -1.297 0.000 1.218 43 G CA 0.828 44.744 45.100 -1.974 0.000 0.794 43 G HN 0.420 nan 8.290 nan 0.000 0.542 44 N N 0.073 117.966 118.700 -1.345 0.000 2.096 44 N HA -0.162 4.578 4.740 0.000 0.000 0.195 44 N C 2.028 177.406 175.510 -0.220 0.000 1.017 44 N CA 1.366 54.170 53.050 -0.411 0.000 0.870 44 N CB -0.361 38.022 38.487 -0.174 0.000 1.024 44 N HN 0.221 nan 8.380 nan 0.000 0.434 45 L N 0.713 121.781 121.223 -0.258 0.000 1.973 45 L HA 0.031 4.371 4.340 0.000 0.000 0.208 45 L C 2.166 178.961 176.870 -0.125 0.000 1.073 45 L CA 1.362 56.110 54.840 -0.155 0.000 0.746 45 L CB -1.217 40.758 42.059 -0.141 0.000 0.891 45 L HN 0.292 nan 8.230 nan 0.000 0.433 46 I N -0.509 119.965 120.570 -0.159 0.000 2.103 46 I HA -0.471 3.699 4.170 0.000 0.000 0.241 46 I C 2.783 178.875 176.117 -0.041 0.000 1.036 46 I CA 2.037 63.287 61.300 -0.084 0.000 1.300 46 I CB -0.385 37.558 38.000 -0.096 0.000 1.010 46 I HN 0.378 nan 8.210 nan 0.000 0.406 47 R N 0.815 121.286 120.500 -0.047 0.000 2.096 47 R HA -0.232 4.108 4.340 0.000 0.000 0.229 47 R C 2.353 178.646 176.300 -0.011 0.000 1.134 47 R CA 2.097 58.202 56.100 0.008 0.000 0.917 47 R CB -0.501 29.854 30.300 0.092 0.000 0.832 47 R HN 0.396 nan 8.270 nan 0.000 0.430 48 A N 1.018 123.829 122.820 -0.015 0.000 2.024 48 A HA -0.166 4.154 4.320 0.000 0.000 0.220 48 A C 1.916 179.491 177.584 -0.014 0.000 1.164 48 A CA 1.655 53.682 52.037 -0.017 0.000 0.643 48 A CB -0.386 18.604 19.000 -0.018 0.000 0.806 48 A HN 0.508 nan 8.150 nan 0.000 0.451 49 E N -0.417 119.775 120.200 -0.013 0.000 2.112 49 E HA -0.047 4.303 4.350 0.000 0.000 0.190 49 E C 1.777 178.383 176.600 0.010 0.000 0.979 49 E CA 0.405 56.804 56.400 -0.001 0.000 0.814 49 E CB -0.338 29.361 29.700 -0.001 0.000 0.762 49 E HN 0.651 nan 8.360 nan 0.000 0.460 50 L N 0.841 122.068 121.223 0.006 0.000 2.642 50 L HA -0.129 4.212 4.340 0.000 0.000 0.236 50 L C 1.337 178.208 176.870 0.001 0.000 1.169 50 L CA 0.186 55.032 54.840 0.010 0.000 0.851 50 L CB 0.141 42.205 42.059 0.007 0.000 0.968 50 L HN 0.058 nan 8.230 nan 0.000 0.453 51 L N -1.512 119.709 121.223 -0.003 0.000 2.701 51 L HA 0.119 4.459 4.340 0.000 0.000 0.238 51 L C 1.797 178.672 176.870 0.009 0.000 1.106 51 L CA 0.625 55.462 54.840 -0.006 0.000 0.898 51 L CB -0.439 41.606 42.059 -0.023 0.000 1.188 51 L HN 0.138 nan 8.230 nan 0.000 0.508 52 N N -0.219 118.489 118.700 0.014 0.000 2.188 52 N HA -0.120 4.620 4.740 0.000 0.000 0.184 52 N C 0.728 176.260 175.510 0.037 0.000 1.018 52 N CA 0.568 53.631 53.050 0.022 0.000 0.858 52 N CB -0.206 38.292 38.487 0.019 0.000 0.989 52 N HN 0.273 nan 8.380 nan 0.000 0.426 53 D N 1.220 121.650 120.400 0.050 0.000 2.412 53 D HA -0.032 4.608 4.640 0.000 0.000 0.257 53 D C 0.490 176.839 176.300 0.082 0.000 1.217 53 D CA 0.108 54.157 54.000 0.081 0.000 0.897 53 D CB 0.543 41.409 40.800 0.110 0.000 1.132 53 D HN 0.148 nan 8.370 nan 0.000 0.493 54 R N 2.710 123.260 120.500 0.083 0.000 2.323 54 R HA 0.009 4.349 4.340 0.000 0.000 0.198 54 R C 0.955 177.314 176.300 0.099 0.000 0.988 54 R CA 0.491 56.635 56.100 0.074 0.000 1.041 54 R CB 0.439 30.773 30.300 0.056 0.000 0.926 54 R HN 0.266 nan 8.270 nan 0.000 0.476 55 K N 0.695 121.190 120.400 0.159 0.000 2.498 55 K HA 0.181 4.501 4.320 0.000 0.000 0.207 55 K C -0.511 176.180 176.600 0.150 0.000 1.033 55 K CA 0.107 56.524 56.287 0.218 0.000 1.138 55 K CB 1.271 34.023 32.500 0.420 0.000 0.860 55 K HN -0.076 nan 8.250 nan 0.000 0.490 56 V N 1.956 121.919 119.914 0.082 0.000 2.409 56 V HA 0.219 4.340 4.120 0.000 0.000 0.291 56 V C 1.458 177.584 176.094 0.054 0.000 1.020 56 V CA -0.575 61.741 62.300 0.027 0.000 0.848 56 V CB 1.536 33.358 31.823 -0.003 0.000 0.990 56 V HN 0.080 nan 8.190 nan 0.000 0.430 57 L N 3.326 124.593 121.223 0.073 0.000 2.023 57 L HA 0.204 4.545 4.340 0.000 0.000 0.205 57 L C 0.570 177.541 176.870 0.168 0.000 1.073 57 L CA 1.753 56.657 54.840 0.107 0.000 0.745 57 L CB -0.077 42.045 42.059 0.105 0.000 0.900 57 L HN 0.538 nan 8.230 nan 0.000 0.435 58 F N 0.021 119.973 119.950 0.003 0.000 2.565 58 F HA 0.713 5.240 4.527 -0.000 0.000 0.313 58 F C -0.886 174.924 175.800 0.017 0.000 1.091 58 F CA -0.942 57.065 58.000 0.010 0.000 0.915 58 F CB 1.681 40.686 39.000 0.009 0.000 1.208 58 F HN -0.162 nan 8.300 nan 0.000 0.453 59 A N 3.938 126.316 122.820 -0.738 0.000 2.513 59 A HA 0.918 5.238 4.320 0.000 0.000 0.296 59 A C -1.845 175.358 177.584 -0.635 0.000 1.052 59 A CA 0.042 51.775 52.037 -0.507 0.000 0.714 59 A CB 0.970 19.862 19.000 -0.180 0.000 1.279 59 A HN 1.799 nan 8.150 nan 0.000 0.397 60 A N 1.074 123.658 122.820 -0.393 0.000 2.612 60 A HA 0.870 5.190 4.320 0.000 0.000 0.293 60 A C -1.266 176.386 177.584 0.114 0.000 1.075 60 A CA -0.318 51.611 52.037 -0.180 0.000 0.680 60 A CB 0.882 19.720 19.000 -0.269 0.000 1.279 60 A HN 2.178 nan 8.150 nan 0.000 0.411 61 Y N -0.111 120.213 120.300 0.039 0.000 2.576 61 Y HA 0.850 5.400 4.550 0.000 0.000 0.346 61 Y C -0.620 175.376 175.900 0.159 0.000 1.018 61 Y CA -0.968 57.232 58.100 0.167 0.000 1.050 61 Y CB 1.896 40.488 38.460 0.220 0.000 1.280 61 Y HN 0.781 nan 8.280 nan 0.000 0.474 62 K N 1.772 122.361 120.400 0.315 0.000 2.619 62 K HA 0.523 4.843 4.320 0.000 0.000 0.251 62 K C -1.712 175.090 176.600 0.337 0.000 0.987 62 K CA -0.915 55.473 56.287 0.168 0.000 0.844 62 K CB 2.030 34.590 32.500 0.100 0.000 1.237 62 K HN 0.871 nan 8.250 nan 0.000 0.447 63 V N 0.826 120.941 119.914 0.336 0.000 2.381 63 V HA 0.135 4.255 4.120 0.000 0.000 0.257 63 V C 1.031 177.249 176.094 0.206 0.000 1.057 63 V CA -0.057 62.417 62.300 0.291 0.000 1.013 63 V CB 0.551 32.503 31.823 0.215 0.000 1.069 63 V HN 1.011 nan 8.190 nan 0.000 0.484 64 E N 2.469 122.801 120.200 0.220 0.000 2.106 64 E HA -0.059 4.292 4.350 0.000 0.000 0.192 64 E C 0.264 176.994 176.600 0.216 0.000 0.984 64 E CA 1.342 57.855 56.400 0.188 0.000 0.806 64 E CB 0.160 29.968 29.700 0.181 0.000 0.750 64 E HN 0.962 nan 8.360 nan 0.000 0.458 65 H N -1.906 117.265 119.070 0.170 0.000 3.099 65 H HA 0.095 4.652 4.556 0.001 0.000 0.342 65 H C -2.207 173.212 175.328 0.152 0.000 1.054 65 H CA -1.490 54.634 56.048 0.128 0.000 1.328 65 H CB 1.888 31.743 29.762 0.154 0.000 1.876 65 H HN -0.177 nan 8.280 nan 0.000 0.495 66 P HA -0.116 nan 4.420 nan 0.000 0.231 66 P C 1.069 178.572 177.300 0.338 0.000 1.158 66 P CA 0.972 64.185 63.100 0.189 0.000 0.763 66 P CB 0.013 31.764 31.700 0.083 0.000 0.805 67 F N -1.119 118.938 119.950 0.179 0.000 2.293 67 F HA -0.035 4.493 4.527 0.002 0.000 0.300 67 F C 1.192 176.666 175.800 -0.543 0.000 1.086 67 F CA 0.271 58.068 58.000 -0.338 0.000 1.375 67 F CB -0.029 38.437 39.000 -0.889 0.000 1.045 67 F HN -0.188 nan 8.300 nan 0.000 0.516 68 F N -1.108 119.022 119.950 0.300 0.000 2.575 68 F HA 0.562 5.089 4.527 -0.001 0.000 0.330 68 F C 0.212 176.096 175.800 0.139 0.000 1.056 68 F CA -1.349 56.748 58.000 0.161 0.000 0.964 68 F CB 1.091 40.171 39.000 0.134 0.000 1.258 68 F HN -0.428 nan 8.300 nan 0.000 0.484 69 A N 2.710 125.722 122.820 0.320 0.000 2.736 69 A HA 0.601 4.921 4.320 0.000 0.000 0.335 69 A C -0.062 177.663 177.584 0.236 0.000 1.446 69 A CA -0.507 51.669 52.037 0.232 0.000 1.028 69 A CB -0.417 18.696 19.000 0.188 0.000 1.154 69 A HN 0.887 nan 8.150 nan 0.000 0.507 70 R N 0.414 121.070 120.500 0.260 0.000 3.416 70 R HA 0.931 5.271 4.340 0.000 0.000 0.236 70 R C -0.824 175.691 176.300 0.359 0.000 1.576 70 R CA -0.582 55.656 56.100 0.229 0.000 1.011 70 R CB 0.845 31.236 30.300 0.153 0.000 1.670 70 R HN 1.122 nan 8.270 nan 0.000 0.519 71 F N -1.770 118.291 119.950 0.186 0.000 2.573 71 F HA 0.310 4.837 4.527 -0.000 0.000 0.292 71 F C -2.370 173.587 175.800 0.261 0.000 0.952 71 F CA -1.086 57.039 58.000 0.208 0.000 0.928 71 F CB 0.476 39.570 39.000 0.156 0.000 1.356 71 F HN 0.460 nan 8.300 nan 0.000 0.557 72 K N 4.327 124.887 120.400 0.266 0.000 2.274 72 K HA 0.736 5.056 4.320 0.000 0.000 0.262 72 K C -1.581 175.206 176.600 0.311 0.000 0.961 72 K CA -1.095 55.299 56.287 0.179 0.000 0.833 72 K CB 2.242 34.829 32.500 0.145 0.000 1.102 72 K HN 0.705 nan 8.250 nan 0.000 0.436 73 L N 3.648 125.050 121.223 0.297 0.000 2.294 73 L HA 0.376 4.716 4.340 0.000 0.000 0.283 73 L C -0.646 176.370 176.870 0.242 0.000 1.015 73 L CA -0.285 54.754 54.840 0.332 0.000 0.831 73 L CB 0.860 43.157 42.059 0.396 0.000 1.217 73 L HN 0.497 nan 8.230 nan 0.000 0.420 74 R N 6.116 126.756 120.500 0.234 0.000 2.265 74 R HA 0.664 5.004 4.340 0.000 0.000 0.319 74 R C -1.317 175.143 176.300 0.267 0.000 1.006 74 R CA -0.505 55.751 56.100 0.260 0.000 0.880 74 R CB 0.706 31.227 30.300 0.368 0.000 1.077 74 R HN 0.734 nan 8.270 nan 0.000 0.454 75 I N 3.060 123.759 120.570 0.215 0.000 2.478 75 I HA 0.305 4.475 4.170 0.000 0.000 0.287 75 I C -0.800 175.405 176.117 0.148 0.000 1.042 75 I CA -0.896 60.503 61.300 0.165 0.000 1.067 75 I CB 1.951 39.993 38.000 0.070 0.000 1.233 75 I HN 0.530 nan 8.210 nan 0.000 0.431 76 Q N 5.430 125.349 119.800 0.198 0.000 2.331 76 Q HA 0.678 5.018 4.340 0.000 0.000 0.267 76 Q C -0.918 175.115 176.000 0.056 0.000 1.006 76 Q CA -0.415 55.459 55.803 0.118 0.000 0.818 76 Q CB 2.169 30.995 28.738 0.147 0.000 1.276 76 Q HN 0.852 nan 8.270 nan 0.000 0.450 77 T N -0.209 114.341 114.554 -0.008 0.000 2.907 77 T HA 0.509 4.859 4.350 0.000 0.000 0.290 77 T C 0.024 174.730 174.700 0.010 0.000 1.066 77 T CA -0.723 61.345 62.100 -0.052 0.000 1.012 77 T CB 1.321 70.043 68.868 -0.243 0.000 1.184 77 T HN 0.542 nan 8.240 nan 0.000 0.522 78 T N 1.294 115.883 114.554 0.058 0.000 2.788 78 T HA 0.100 4.450 4.350 0.000 0.000 0.333 78 T C 0.437 175.193 174.700 0.095 0.000 1.090 78 T CA -0.252 61.906 62.100 0.097 0.000 1.094 78 T CB -0.075 68.885 68.868 0.153 0.000 0.999 78 T HN 0.714 nan 8.240 nan 0.000 0.549 79 E N 0.399 120.645 120.200 0.078 0.000 2.465 79 E HA 0.262 4.612 4.350 0.000 0.000 0.260 79 E C 1.303 177.957 176.600 0.090 0.000 0.980 79 E CA 1.051 57.491 56.400 0.066 0.000 0.927 79 E CB -0.118 29.611 29.700 0.048 0.000 0.934 79 E HN 0.861 nan 8.360 nan 0.000 0.459 80 G N 4.002 112.851 108.800 0.083 0.000 5.259 80 G HA2 -0.379 3.581 3.960 0.000 0.000 0.288 80 G HA3 -0.379 3.581 3.960 0.000 0.000 0.288 80 G C 0.073 175.063 174.900 0.150 0.000 1.534 80 G CA 0.074 45.232 45.100 0.096 0.000 1.031 80 G HN 0.744 nan 8.290 nan 0.000 0.724 81 Y N 3.900 124.211 120.300 0.020 0.000 2.597 81 Y HA 0.090 4.640 4.550 0.000 0.000 0.425 81 Y C 0.817 176.733 175.900 0.026 0.000 1.388 81 Y CA 0.275 58.388 58.100 0.023 0.000 1.889 81 Y CB -0.389 38.086 38.460 0.025 0.000 1.289 81 Y HN 0.532 nan 8.280 nan 0.000 0.431 82 D N 9.078 129.585 120.400 0.178 0.000 2.401 82 D HA 0.015 4.655 4.640 0.000 0.000 0.254 82 D C -1.412 174.865 176.300 -0.037 0.000 1.192 82 D CA -1.775 52.254 54.000 0.048 0.000 0.885 82 D CB 1.193 42.028 40.800 0.058 0.000 1.147 82 D HN 0.260 nan 8.370 nan 0.000 0.478 83 P HA -0.269 nan 4.420 nan 0.000 0.218 83 P C 0.776 178.032 177.300 -0.074 0.000 1.150 83 P CA 1.502 64.505 63.100 -0.162 0.000 0.841 83 P CB 0.102 31.756 31.700 -0.076 0.000 0.784 84 K N -0.393 119.998 120.400 -0.015 0.000 2.127 84 K HA -0.181 4.139 4.320 0.000 0.000 0.208 84 K C 1.849 178.478 176.600 0.048 0.000 1.047 84 K CA 1.472 57.769 56.287 0.017 0.000 0.927 84 K CB -0.535 31.976 32.500 0.019 0.000 0.716 84 K HN 0.267 nan 8.250 nan 0.000 0.450 85 D N 0.681 121.131 120.400 0.085 0.000 2.097 85 D HA -0.102 4.539 4.640 0.000 0.000 0.197 85 D C 2.029 178.447 176.300 0.196 0.000 0.984 85 D CA 1.258 55.372 54.000 0.189 0.000 0.826 85 D CB -0.073 40.956 40.800 0.382 0.000 0.973 85 D HN 0.187 nan 8.370 nan 0.000 0.460 86 A N 1.364 124.217 122.820 0.055 0.000 1.892 86 A HA -0.206 4.114 4.320 0.000 0.000 0.218 86 A C 2.208 179.823 177.584 0.052 0.000 1.188 86 A CA 1.280 53.318 52.037 0.001 0.000 0.631 86 A CB -0.864 17.969 19.000 -0.279 0.000 0.822 86 A HN 0.244 nan 8.150 nan 0.000 0.447 87 L N -0.165 121.081 121.223 0.038 0.000 1.989 87 L HA -0.198 4.142 4.340 0.000 0.000 0.211 87 L C 2.277 179.197 176.870 0.084 0.000 1.071 87 L CA 2.480 57.365 54.840 0.074 0.000 0.749 87 L CB -0.671 41.438 42.059 0.084 0.000 0.890 87 L HN 0.377 nan 8.230 nan 0.000 0.431 88 K N -0.486 119.964 120.400 0.083 0.000 1.977 88 K HA -0.218 4.102 4.320 0.000 0.000 0.218 88 K C 2.029 178.678 176.600 0.082 0.000 1.051 88 K CA 1.851 58.186 56.287 0.080 0.000 0.953 88 K CB -0.518 32.030 32.500 0.080 0.000 0.727 88 K HN 0.411 nan 8.250 nan 0.000 0.445 89 N N 0.617 119.380 118.700 0.104 0.000 2.061 89 N HA -0.205 4.535 4.740 0.000 0.000 0.193 89 N C 1.796 177.351 175.510 0.076 0.000 1.030 89 N CA 1.651 54.758 53.050 0.094 0.000 0.856 89 N CB -0.401 38.162 38.487 0.126 0.000 1.023 89 N HN 0.261 nan 8.380 nan 0.000 0.424 90 A N 0.876 123.744 122.820 0.080 0.000 1.877 90 A HA -0.163 4.157 4.320 0.000 0.000 0.216 90 A C 2.785 180.399 177.584 0.050 0.000 1.186 90 A CA 1.482 53.554 52.037 0.059 0.000 0.620 90 A CB -1.175 17.857 19.000 0.054 0.000 0.822 90 A HN 0.469 nan 8.150 nan 0.000 0.443 91 C N -0.347 118.989 119.300 0.060 0.000 2.391 91 C HA -0.168 4.293 4.460 0.000 0.000 0.276 91 C C 2.761 177.776 174.990 0.043 0.000 1.217 91 C CA 1.409 60.461 59.018 0.057 0.000 1.766 91 C CB -1.555 26.228 27.740 0.072 0.000 2.046 91 C HN 0.647 nan 8.230 nan 0.000 0.475 92 N N 0.040 118.766 118.700 0.043 0.000 2.135 92 N HA -0.115 4.625 4.740 0.000 0.000 0.186 92 N C 1.988 177.515 175.510 0.028 0.000 1.027 92 N CA 1.510 54.581 53.050 0.035 0.000 0.849 92 N CB -0.523 37.986 38.487 0.036 0.000 1.002 92 N HN 0.528 nan 8.380 nan 0.000 0.425 93 S N 1.019 116.738 115.700 0.031 0.000 2.407 93 S HA -0.116 4.354 4.470 0.000 0.000 0.235 93 S C 1.956 176.567 174.600 0.018 0.000 1.036 93 S CA 0.901 59.116 58.200 0.025 0.000 1.013 93 S CB -0.239 62.979 63.200 0.030 0.000 0.820 93 S HN 0.257 nan 8.310 nan 0.000 0.476 94 I N 0.584 121.164 120.570 0.015 0.000 2.400 94 I HA -0.039 4.131 4.170 0.000 0.000 0.248 94 I C 2.150 178.270 176.117 0.006 0.000 1.109 94 I CA 0.839 62.142 61.300 0.006 0.000 1.425 94 I CB -0.316 37.684 38.000 -0.001 0.000 1.094 94 I HN 0.294 nan 8.210 nan 0.000 0.425 95 I N 1.156 121.732 120.570 0.011 0.000 2.151 95 I HA -0.333 3.837 4.170 0.000 0.000 0.243 95 I C 2.232 178.355 176.117 0.009 0.000 1.080 95 I CA 1.347 62.653 61.300 0.009 0.000 1.339 95 I CB -0.768 37.241 38.000 0.015 0.000 1.039 95 I HN 0.313 nan 8.210 nan 0.000 0.409 96 N N 1.675 120.383 118.700 0.012 0.000 2.018 96 N HA -0.208 4.533 4.740 0.000 0.000 0.196 96 N C 1.758 177.276 175.510 0.012 0.000 1.043 96 N CA 1.570 54.628 53.050 0.013 0.000 0.856 96 N CB -0.527 37.969 38.487 0.015 0.000 1.042 96 N HN 0.415 nan 8.380 nan 0.000 0.423 97 K N 0.733 121.139 120.400 0.011 0.000 2.218 97 K HA -0.054 4.266 4.320 0.000 0.000 0.205 97 K C 2.107 178.711 176.600 0.007 0.000 1.046 97 K CA 0.699 56.992 56.287 0.010 0.000 0.933 97 K CB -0.150 32.354 32.500 0.006 0.000 0.728 97 K HN 0.186 nan 8.250 nan 0.000 0.454 98 L N -0.491 120.733 121.223 0.002 0.000 2.131 98 L HA -0.037 4.304 4.340 0.000 0.000 0.206 98 L C 2.514 179.385 176.870 0.001 0.000 1.087 98 L CA 0.963 55.800 54.840 -0.006 0.000 0.767 98 L CB -0.566 41.484 42.059 -0.014 0.000 0.917 98 L HN 0.308 nan 8.230 nan 0.000 0.441 99 G N -0.273 108.531 108.800 0.008 0.000 2.422 99 G HA2 -0.225 3.735 3.960 0.000 0.000 0.218 99 G HA3 -0.225 3.735 3.960 0.000 0.000 0.218 99 G C 1.746 176.660 174.900 0.023 0.000 1.146 99 G CA 0.828 45.936 45.100 0.013 0.000 0.769 99 G HN 0.443 nan 8.290 nan 0.000 0.547 100 A N 0.542 123.377 122.820 0.025 0.000 1.872 100 A HA 0.152 4.472 4.320 0.000 0.000 0.214 100 A C 2.340 179.954 177.584 0.050 0.000 1.187 100 A CA 1.198 53.255 52.037 0.035 0.000 0.614 100 A CB -0.589 18.428 19.000 0.030 0.000 0.826 100 A HN 0.331 nan 8.150 nan 0.000 0.442 101 L N -0.358 120.890 121.223 0.042 0.000 1.976 101 L HA -0.351 3.989 4.340 0.000 0.000 0.223 101 L C 2.621 179.543 176.870 0.086 0.000 1.081 101 L CA 2.739 57.612 54.840 0.055 0.000 0.784 101 L CB -0.468 41.602 42.059 0.017 0.000 0.896 101 L HN 0.560 nan 8.230 nan 0.000 0.438 102 K N -1.047 119.381 120.400 0.047 0.000 2.000 102 K HA -0.242 4.078 4.320 0.000 0.000 0.218 102 K C 1.814 178.496 176.600 0.136 0.000 1.053 102 K CA 2.827 59.148 56.287 0.058 0.000 0.946 102 K CB -0.286 32.226 32.500 0.019 0.000 0.723 102 K HN 0.438 nan 8.250 nan 0.000 0.446 103 T N 0.978 115.590 114.554 0.097 0.000 2.674 103 T HA -0.120 4.230 4.350 0.000 0.000 0.265 103 T C 1.686 176.452 174.700 0.111 0.000 1.039 103 T CA 1.460 63.617 62.100 0.095 0.000 1.150 103 T CB -0.526 68.378 68.868 0.060 0.000 0.864 103 T HN 0.262 nan 8.240 nan 0.000 0.427 104 N N 0.733 119.496 118.700 0.105 0.000 2.069 104 N HA -0.063 4.677 4.740 0.000 0.000 0.191 104 N C 1.513 177.095 175.510 0.120 0.000 1.031 104 N CA 1.005 54.111 53.050 0.094 0.000 0.852 104 N CB -0.659 37.877 38.487 0.082 0.000 1.018 104 N HN 0.382 nan 8.380 nan 0.000 0.423 105 F N 2.573 122.549 119.950 0.042 0.000 2.025 105 F HA -0.222 4.306 4.527 0.001 0.000 0.297 105 F C 2.239 178.102 175.800 0.105 0.000 1.132 105 F CA 1.622 59.660 58.000 0.064 0.000 1.191 105 F CB -0.299 38.719 39.000 0.030 0.000 0.963 105 F HN -0.004 nan 8.300 nan 0.000 0.481 106 E N 0.031 120.408 120.200 0.294 0.000 2.136 106 E HA -0.282 4.068 4.350 0.000 0.000 0.208 106 E C 2.088 178.739 176.600 0.084 0.000 1.035 106 E CA 2.425 58.949 56.400 0.207 0.000 0.838 106 E CB -1.139 28.664 29.700 0.171 0.000 0.748 106 E HN 0.535 nan 8.360 nan 0.000 0.459 107 T N 1.517 116.095 114.554 0.041 0.000 2.652 107 T HA -0.150 4.200 4.350 0.000 0.000 0.267 107 T C 1.758 176.429 174.700 -0.049 0.000 1.039 107 T CA 1.181 63.284 62.100 0.006 0.000 1.153 107 T CB -0.155 68.717 68.868 0.008 0.000 0.863 107 T HN 0.090 nan 8.240 nan 0.000 0.428 108 E N 0.179 120.315 120.200 -0.106 0.000 2.072 108 E HA -0.107 4.244 4.350 0.000 0.000 0.191 108 E C 1.885 178.363 176.600 -0.204 0.000 0.985 108 E CA 0.687 56.995 56.400 -0.154 0.000 0.801 108 E CB -0.382 29.221 29.700 -0.162 0.000 0.750 108 E HN 0.675 nan 8.360 nan 0.000 0.452 109 W N 2.327 123.305 121.300 -0.537 0.000 2.318 109 W HA -0.235 4.425 4.660 0.001 0.000 0.313 109 W C 1.305 177.699 176.519 -0.209 0.000 1.221 109 W CA 1.385 58.451 57.345 -0.465 0.000 1.266 109 W CB -0.339 28.788 29.460 -0.556 0.000 1.150 109 W HN 0.058 nan 8.180 nan 0.000 0.496 110 N N 1.084 119.699 118.700 -0.141 0.000 2.348 110 N HA -0.167 4.573 4.740 0.000 0.000 0.185 110 N C 1.784 177.154 175.510 -0.233 0.000 1.019 110 N CA 1.791 54.736 53.050 -0.174 0.000 0.880 110 N CB -0.727 37.756 38.487 -0.007 0.000 0.965 110 N HN 0.359 nan 8.380 nan 0.000 0.437 111 L N 0.151 121.245 121.223 -0.215 0.000 2.270 111 L HA 0.017 4.357 4.340 0.000 0.000 0.210 111 L C 1.148 177.889 176.870 -0.214 0.000 1.104 111 L CA 0.439 55.174 54.840 -0.174 0.000 0.804 111 L CB -0.192 41.794 42.059 -0.121 0.000 0.937 111 L HN 0.048 nan 8.230 nan 0.000 0.450 112 Q N 1.018 120.631 119.800 -0.311 0.000 2.500 112 Q HA 0.192 4.533 4.340 0.000 0.000 0.215 112 Q C -0.139 175.682 176.000 -0.298 0.000 1.062 112 Q CA 0.438 56.063 55.803 -0.296 0.000 0.996 112 Q CB 0.798 29.336 28.738 -0.334 0.000 1.239 112 Q HN 0.130 nan 8.270 nan 0.000 0.578 113 T N -0.150 114.268 114.554 -0.227 0.000 2.965 113 T HA 0.747 5.097 4.350 0.000 0.000 0.306 113 T C 0.084 174.695 174.700 -0.147 0.000 0.991 113 T CA -0.665 61.327 62.100 -0.179 0.000 1.001 113 T CB 0.696 69.492 68.868 -0.120 0.000 0.984 113 T HN 0.570 nan 8.240 nan 0.000 0.446 114 L N 0.000 121.133 121.223 -0.150 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.786 54.840 -0.091 0.000 0.813 114 L CB 0.000 42.020 42.059 -0.066 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502