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 2nvx_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 0.000 176.274 176.300 -0.043 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.030 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.023 0.000 1.302 2 N N 1.359 120.026 118.700 -0.056 0.000 2.424 2 N HA 0.197 4.938 4.740 0.001 0.000 0.178 2 N C 0.529 175.976 175.510 -0.103 0.000 1.060 2 N CA 0.469 53.474 53.050 -0.077 0.000 0.901 2 N CB 0.593 39.029 38.487 -0.085 0.000 0.979 2 N HN 0.344 nan 8.380 nan 0.000 0.451 3 A N 3.026 125.790 122.820 -0.093 0.000 2.511 3 A HA 0.225 4.546 4.320 0.001 0.000 0.242 3 A C -1.857 175.656 177.584 -0.118 0.000 1.069 3 A CA -0.732 51.240 52.037 -0.109 0.000 0.763 3 A CB -0.096 18.860 19.000 -0.073 0.000 1.001 3 A HN 0.095 nan 8.150 nan 0.000 0.498 4 P HA 0.376 nan 4.420 nan 0.000 0.284 4 P C -0.903 176.276 177.300 -0.201 0.000 1.258 4 P CA -0.560 62.438 63.100 -0.170 0.000 0.824 4 P CB 0.723 32.313 31.700 -0.183 0.000 1.038 5 D N 0.986 121.202 120.400 -0.308 0.000 2.406 5 D HA -0.003 4.638 4.640 0.001 0.000 0.234 5 D C 1.699 177.755 176.300 -0.408 0.000 1.196 5 D CA 0.097 53.832 54.000 -0.441 0.000 0.881 5 D CB 0.583 40.840 40.800 -0.904 0.000 1.205 5 D HN 0.190 nan 8.370 nan 0.000 0.453 6 R N 1.256 121.613 120.500 -0.238 0.000 2.153 6 R HA -0.053 4.288 4.340 0.001 0.000 0.218 6 R C 2.021 178.346 176.300 0.041 0.000 1.072 6 R CA 0.551 56.626 56.100 -0.042 0.000 0.990 6 R CB -0.541 29.808 30.300 0.082 0.000 0.889 6 R HN 0.631 nan 8.270 nan 0.000 0.452 7 F N 1.227 121.210 119.950 0.056 0.000 2.546 7 F HA 0.086 4.611 4.527 -0.002 0.000 0.298 7 F C 1.199 176.797 175.800 -0.336 0.000 1.120 7 F CA 0.311 58.201 58.000 -0.184 0.000 1.456 7 F CB -0.629 38.201 39.000 -0.284 0.000 1.088 7 F HN -0.110 nan 8.300 nan 0.000 0.572 8 E N 0.868 120.860 120.200 -0.347 0.000 2.515 8 E HA -0.044 4.306 4.350 0.001 0.000 0.201 8 E C 1.883 178.493 176.600 0.017 0.000 1.071 8 E CA 0.106 56.421 56.400 -0.142 0.000 0.880 8 E CB -0.144 29.445 29.700 -0.186 0.000 0.828 8 E HN 0.455 nan 8.360 nan 0.000 0.540 9 L N -0.211 121.080 121.223 0.114 0.000 2.492 9 L HA 0.010 4.351 4.340 0.001 0.000 0.223 9 L C 1.046 178.159 176.870 0.405 0.000 1.132 9 L CA 1.161 56.168 54.840 0.277 0.000 0.850 9 L CB -0.173 42.095 42.059 0.349 0.000 0.966 9 L HN 0.320 nan 8.230 nan 0.000 0.454 10 F N -3.531 116.497 119.950 0.131 0.000 3.110 10 F HA 0.375 4.904 4.527 0.003 0.000 0.342 10 F C -0.559 175.317 175.800 0.127 0.000 1.251 10 F CA -0.759 57.313 58.000 0.121 0.000 0.987 10 F CB -0.166 38.895 39.000 0.101 0.000 1.472 10 F HN -0.276 nan 8.300 nan 0.000 0.501 11 L N 3.010 124.095 121.223 -0.231 0.000 2.349 11 L HA 0.560 4.901 4.340 0.001 0.000 0.278 11 L C -0.576 176.288 176.870 -0.010 0.000 0.996 11 L CA -0.803 53.949 54.840 -0.148 0.000 0.825 11 L CB 1.752 43.681 42.059 -0.217 0.000 1.243 11 L HN 0.116 nan 8.230 nan 0.000 0.412 12 L N 3.586 124.815 121.223 0.009 0.000 2.462 12 L HA 0.416 4.757 4.340 0.001 0.000 0.272 12 L C 1.235 178.118 176.870 0.021 0.000 1.166 12 L CA 0.459 55.313 54.840 0.024 0.000 0.880 12 L CB -0.025 42.045 42.059 0.019 0.000 1.142 12 L HN 0.688 nan 8.230 nan 0.000 0.473 13 G N 2.448 111.267 108.800 0.032 0.000 2.580 13 G HA2 0.221 4.182 3.960 0.001 0.000 0.225 13 G HA3 0.221 4.182 3.960 0.001 0.000 0.225 13 G C -0.405 174.505 174.900 0.017 0.000 1.521 13 G CA -0.560 44.561 45.100 0.034 0.000 1.068 13 G HN 0.637 nan 8.290 nan 0.000 0.564 14 E N -0.442 119.767 120.200 0.016 0.000 2.200 14 E HA 0.431 4.781 4.350 0.001 0.000 0.283 14 E C 0.851 177.452 176.600 0.001 0.000 1.015 14 E CA 0.529 56.933 56.400 0.006 0.000 0.819 14 E CB 1.135 30.839 29.700 0.006 0.000 1.081 14 E HN 0.820 nan 8.360 nan 0.000 0.397 15 G N 3.468 112.264 108.800 -0.005 0.000 2.347 15 G HA2 -0.351 3.609 3.960 0.001 0.000 0.247 15 G HA3 -0.351 3.609 3.960 0.001 0.000 0.247 15 G C 0.079 174.971 174.900 -0.014 0.000 1.037 15 G CA -0.038 45.056 45.100 -0.011 0.000 0.622 15 G HN 0.571 nan 8.290 nan 0.000 0.521 16 E N 2.016 122.210 120.200 -0.009 0.000 2.265 16 E HA 0.444 4.795 4.350 0.001 0.000 0.272 16 E C 0.531 177.121 176.600 -0.016 0.000 1.067 16 E CA 0.416 56.810 56.400 -0.011 0.000 0.900 16 E CB 0.684 30.386 29.700 0.004 0.000 1.017 16 E HN 0.556 nan 8.360 nan 0.000 0.431 17 S N 2.861 118.543 115.700 -0.031 0.000 2.608 17 S HA 0.261 4.731 4.470 0.001 0.000 0.291 17 S C 0.825 175.391 174.600 -0.057 0.000 1.146 17 S CA -1.020 57.155 58.200 -0.040 0.000 1.043 17 S CB 2.163 65.333 63.200 -0.050 0.000 1.037 17 S HN 0.386 nan 8.310 nan 0.000 0.520 18 K N 0.253 120.619 120.400 -0.058 0.000 2.288 18 K HA 0.240 4.561 4.320 0.001 0.000 0.201 18 K C -0.221 176.273 176.600 -0.176 0.000 1.048 18 K CA 0.633 56.880 56.287 -0.066 0.000 0.956 18 K CB -0.364 32.119 32.500 -0.028 0.000 0.746 18 K HN 0.670 nan 8.250 nan 0.000 0.461 19 L N 1.052 122.153 121.223 -0.203 0.000 2.436 19 L HA 0.360 4.700 4.340 0.001 0.000 0.268 19 L C -0.624 176.117 176.870 -0.214 0.000 0.974 19 L CA -0.657 53.993 54.840 -0.317 0.000 0.826 19 L CB 2.401 44.247 42.059 -0.354 0.000 1.291 19 L HN -0.211 nan 8.230 nan 0.000 0.406 20 K N 3.038 123.305 120.400 -0.223 0.000 2.318 20 K HA 0.685 5.006 4.320 0.001 0.000 0.249 20 K C -1.668 174.847 176.600 -0.141 0.000 0.942 20 K CA -0.656 55.544 56.287 -0.144 0.000 0.808 20 K CB 2.757 35.192 32.500 -0.108 0.000 1.189 20 K HN 0.517 nan 8.250 nan 0.000 0.428 21 I N 2.281 122.794 120.570 -0.094 0.000 2.533 21 I HA 0.338 4.509 4.170 0.001 0.000 0.290 21 I C -1.622 174.471 176.117 -0.039 0.000 1.056 21 I CA -0.365 60.894 61.300 -0.069 0.000 1.057 21 I CB 1.670 39.632 38.000 -0.063 0.000 1.240 21 I HN 0.593 nan 8.210 nan 0.000 0.423 22 D N 8.146 128.532 120.400 -0.022 0.000 2.964 22 D HA 0.358 4.999 4.640 0.001 0.000 0.234 22 D C -2.668 173.636 176.300 0.007 0.000 1.223 22 D CA -0.982 53.013 54.000 -0.009 0.000 0.889 22 D CB 2.717 43.511 40.800 -0.009 0.000 1.609 22 D HN 0.145 nan 8.370 nan 0.000 0.523 23 P HA 0.083 nan 4.420 nan 0.000 0.271 23 P C -0.359 176.954 177.300 0.022 0.000 1.216 23 P CA -0.225 62.886 63.100 0.018 0.000 0.776 23 P CB 0.903 32.611 31.700 0.014 0.000 0.881 24 D N 1.670 122.089 120.400 0.032 0.000 2.325 24 D HA 0.025 4.666 4.640 0.001 0.000 0.251 24 D C 1.037 177.351 176.300 0.023 0.000 1.196 24 D CA 0.184 54.204 54.000 0.033 0.000 0.866 24 D CB 0.924 41.754 40.800 0.050 0.000 1.101 24 D HN 0.343 nan 8.370 nan 0.000 0.476 25 T N 1.605 116.169 114.554 0.016 0.000 2.995 25 T HA -0.067 4.284 4.350 0.001 0.000 0.269 25 T C 1.389 176.093 174.700 0.006 0.000 1.091 25 T CA 0.576 62.682 62.100 0.010 0.000 1.128 25 T CB 0.245 69.117 68.868 0.007 0.000 0.891 25 T HN 0.223 nan 8.240 nan 0.000 0.492 26 K N 1.692 122.095 120.400 0.006 0.000 2.137 26 K HA 0.438 4.759 4.320 0.001 0.000 0.202 26 K C 1.051 177.646 176.600 -0.008 0.000 1.052 26 K CA 0.643 56.928 56.287 -0.003 0.000 0.961 26 K CB -0.065 32.430 32.500 -0.007 0.000 0.741 26 K HN 0.532 nan 8.250 nan 0.000 0.452 27 A N 2.878 125.698 122.820 -0.001 0.000 2.365 27 A HA 0.539 4.859 4.320 0.001 0.000 0.318 27 A C -2.626 174.966 177.584 0.013 0.000 1.091 27 A CA -1.577 50.458 52.037 -0.003 0.000 0.763 27 A CB 1.272 20.265 19.000 -0.013 0.000 1.248 27 A HN -0.114 nan 8.150 nan 0.000 0.442 28 P HA 0.205 nan 4.420 nan 0.000 0.285 28 P C -0.214 177.106 177.300 0.032 0.000 1.259 28 P CA -0.022 63.090 63.100 0.020 0.000 0.794 28 P CB 0.813 32.522 31.700 0.015 0.000 0.940 29 N N 0.180 118.904 118.700 0.040 0.000 2.783 29 N HA -0.166 4.575 4.740 0.001 0.000 0.247 29 N C -1.288 174.263 175.510 0.067 0.000 1.089 29 N CA 1.087 54.170 53.050 0.054 0.000 0.690 29 N CB -1.490 37.032 38.487 0.059 0.000 0.991 29 N HN 0.701 nan 8.380 nan 0.000 0.552 30 A N -0.832 122.027 122.820 0.065 0.000 2.475 30 A HA 0.815 5.135 4.320 0.001 0.000 0.301 30 A C -0.669 176.959 177.584 0.074 0.000 1.059 30 A CA -0.353 51.735 52.037 0.084 0.000 0.710 30 A CB 2.332 21.389 19.000 0.096 0.000 1.288 30 A HN 0.204 nan 8.150 nan 0.000 0.408 31 V N 1.386 121.351 119.914 0.085 0.000 2.841 31 V HA 0.502 4.623 4.120 0.001 0.000 0.310 31 V C -0.882 175.259 176.094 0.077 0.000 1.090 31 V CA -0.539 61.800 62.300 0.066 0.000 0.930 31 V CB 2.153 34.010 31.823 0.057 0.000 1.014 31 V HN 0.743 nan 8.190 nan 0.000 0.425 32 V N 5.896 125.846 119.914 0.060 0.000 2.334 32 V HA 0.508 4.629 4.120 0.001 0.000 0.281 32 V C -0.366 175.747 176.094 0.031 0.000 1.016 32 V CA -0.266 62.073 62.300 0.064 0.000 0.832 32 V CB 1.429 33.289 31.823 0.062 0.000 0.999 32 V HN 0.667 nan 8.190 nan 0.000 0.439 33 I N 4.223 124.818 120.570 0.043 0.000 2.321 33 I HA 0.335 4.505 4.170 0.001 0.000 0.291 33 I C 0.486 176.580 176.117 -0.039 0.000 0.998 33 I CA -0.011 61.267 61.300 -0.036 0.000 1.227 33 I CB 1.666 39.632 38.000 -0.057 0.000 1.368 33 I HN 0.429 nan 8.210 nan 0.000 0.466 34 T N 6.503 120.981 114.554 -0.126 0.000 2.743 34 T HA 0.404 4.755 4.350 0.001 0.000 0.293 34 T C -0.389 174.156 174.700 -0.257 0.000 0.945 34 T CA -0.078 61.951 62.100 -0.118 0.000 1.030 34 T CB 0.025 68.843 68.868 -0.083 0.000 0.912 34 T HN 0.091 nan 8.240 nan 0.000 0.483 35 F N 2.892 122.561 119.950 -0.468 0.000 2.410 35 F HA 0.327 4.855 4.527 0.001 0.000 0.349 35 F C 1.056 176.715 175.800 -0.235 0.000 1.117 35 F CA -0.882 56.839 58.000 -0.465 0.000 1.104 35 F CB 0.983 39.364 39.000 -1.031 0.000 1.122 35 F HN 0.393 nan 8.300 nan 0.000 0.483 36 E N 3.417 123.633 120.200 0.027 0.000 2.283 36 E HA 0.185 4.536 4.350 0.001 0.000 0.271 36 E C -0.115 176.575 176.600 0.151 0.000 1.031 36 E CA -0.642 55.803 56.400 0.076 0.000 0.868 36 E CB 1.006 30.723 29.700 0.029 0.000 1.094 36 E HN 0.362 nan 8.360 nan 0.000 0.401 37 K N 1.544 122.048 120.400 0.173 0.000 3.311 37 K HA -0.205 4.115 4.320 0.001 0.000 0.270 37 K C -0.093 176.654 176.600 0.245 0.000 0.927 37 K CA 1.006 57.414 56.287 0.203 0.000 0.706 37 K CB -1.177 31.424 32.500 0.169 0.000 1.418 37 K HN 0.512 nan 8.250 nan 0.000 0.459 38 E N 0.030 120.408 120.200 0.297 0.000 2.456 38 E HA 0.524 4.875 4.350 0.001 0.000 0.278 38 E C -0.412 176.379 176.600 0.318 0.000 1.034 38 E CA -0.393 56.206 56.400 0.330 0.000 0.846 38 E CB 1.937 31.928 29.700 0.484 0.000 1.460 38 E HN 0.275 nan 8.360 nan 0.000 0.463 39 D N -2.460 117.968 120.400 0.046 0.000 3.010 39 D HA 0.077 4.718 4.640 0.001 0.000 0.353 39 D C 0.789 176.737 176.300 -0.586 0.000 1.415 39 D CA -0.416 53.421 54.000 -0.272 0.000 0.864 39 D CB -0.206 40.568 40.800 -0.043 0.000 1.445 39 D HN 0.402 nan 8.370 nan 0.000 0.516 40 H N -0.436 118.440 119.070 -0.323 0.000 2.437 40 H HA -0.134 4.422 4.556 0.001 0.000 0.296 40 H C 1.239 176.367 175.328 -0.334 0.000 1.121 40 H CA 2.220 58.074 56.048 -0.324 0.000 1.255 40 H CB -0.703 29.004 29.762 -0.091 0.000 1.366 40 H HN 0.508 nan 8.280 nan 0.000 0.512 41 T N 0.680 115.160 114.554 -0.125 0.000 2.803 41 T HA -0.120 4.231 4.350 0.001 0.000 0.269 41 T C 2.242 176.823 174.700 -0.197 0.000 1.052 41 T CA 1.311 63.337 62.100 -0.123 0.000 1.136 41 T CB -0.089 68.735 68.868 -0.073 0.000 0.864 41 T HN 0.203 nan 8.240 nan 0.000 0.467 42 L N -0.366 120.665 121.223 -0.319 0.000 2.526 42 L HA 0.454 4.795 4.340 0.001 0.000 0.210 42 L C 2.546 179.060 176.870 -0.592 0.000 1.048 42 L CA 0.638 55.278 54.840 -0.333 0.000 0.852 42 L CB -0.448 41.499 42.059 -0.187 0.000 1.128 42 L HN 0.241 nan 8.230 nan 0.000 0.482 43 G N -0.096 108.000 108.800 -1.175 0.000 2.459 43 G HA2 -0.379 3.582 3.960 0.001 0.000 0.217 43 G HA3 -0.379 3.582 3.960 0.001 0.000 0.217 43 G C 1.301 175.341 174.900 -1.434 0.000 1.183 43 G CA 1.104 45.172 45.100 -1.719 0.000 0.776 43 G HN 0.427 nan 8.290 nan 0.000 0.552 44 N N -0.206 117.792 118.700 -1.169 0.000 2.205 44 N HA -0.086 4.654 4.740 0.001 0.000 0.186 44 N C 1.988 177.330 175.510 -0.281 0.000 1.015 44 N CA 0.857 53.611 53.050 -0.492 0.000 0.862 44 N CB -0.212 38.199 38.487 -0.126 0.000 0.986 44 N HN 0.239 nan 8.380 nan 0.000 0.429 45 L N -0.281 120.765 121.223 -0.294 0.000 2.131 45 L HA 0.174 4.515 4.340 0.001 0.000 0.206 45 L C 1.718 178.500 176.870 -0.147 0.000 1.087 45 L CA 1.135 55.871 54.840 -0.175 0.000 0.767 45 L CB -0.542 41.425 42.059 -0.154 0.000 0.917 45 L HN 0.162 nan 8.230 nan 0.000 0.441 46 I N -0.729 119.723 120.570 -0.196 0.000 2.233 46 I HA -0.191 3.980 4.170 0.001 0.000 0.243 46 I C 2.743 178.805 176.117 -0.092 0.000 1.093 46 I CA 1.085 62.312 61.300 -0.120 0.000 1.380 46 I CB -0.407 37.527 38.000 -0.109 0.000 1.067 46 I HN 0.213 nan 8.210 nan 0.000 0.413 47 R N 0.533 120.958 120.500 -0.124 0.000 2.081 47 R HA -0.150 4.191 4.340 0.001 0.000 0.235 47 R C 2.172 178.449 176.300 -0.038 0.000 1.131 47 R CA 1.616 57.688 56.100 -0.046 0.000 0.960 47 R CB -0.296 30.042 30.300 0.063 0.000 0.856 47 R HN 0.377 nan 8.270 nan 0.000 0.436 48 A N 0.599 123.394 122.820 -0.042 0.000 2.066 48 A HA -0.067 4.254 4.320 0.001 0.000 0.218 48 A C 1.649 179.215 177.584 -0.030 0.000 1.157 48 A CA 0.950 52.970 52.037 -0.028 0.000 0.670 48 A CB -0.072 18.913 19.000 -0.024 0.000 0.804 48 A HN 0.298 nan 8.150 nan 0.000 0.453 49 E N -0.558 119.621 120.200 -0.036 0.000 2.442 49 E HA 0.096 4.446 4.350 0.001 0.000 0.195 49 E C 1.508 178.096 176.600 -0.020 0.000 1.030 49 E CA 0.161 56.547 56.400 -0.024 0.000 0.869 49 E CB 0.033 29.720 29.700 -0.022 0.000 0.857 49 E HN 0.628 nan 8.360 nan 0.000 0.505 50 L N 0.196 121.402 121.223 -0.029 0.000 2.492 50 L HA -0.066 4.275 4.340 0.001 0.000 0.223 50 L C 1.906 178.749 176.870 -0.046 0.000 1.132 50 L CA 0.153 54.972 54.840 -0.036 0.000 0.850 50 L CB 0.095 42.129 42.059 -0.042 0.000 0.966 50 L HN 0.077 nan 8.230 nan 0.000 0.454 51 L N -0.594 120.606 121.223 -0.038 0.000 2.209 51 L HA -0.042 4.299 4.340 0.001 0.000 0.207 51 L C 2.029 178.885 176.870 -0.024 0.000 1.094 51 L CA 1.019 55.839 54.840 -0.032 0.000 0.790 51 L CB -0.508 41.536 42.059 -0.024 0.000 0.932 51 L HN 0.231 nan 8.230 nan 0.000 0.447 52 N N -0.465 118.224 118.700 -0.018 0.000 2.364 52 N HA -0.130 4.611 4.740 0.001 0.000 0.183 52 N C 0.385 175.888 175.510 -0.011 0.000 1.022 52 N CA 0.552 53.596 53.050 -0.011 0.000 0.883 52 N CB -0.471 38.013 38.487 -0.006 0.000 0.965 52 N HN 0.259 nan 8.380 nan 0.000 0.438 53 D N 0.570 120.956 120.400 -0.023 0.000 2.336 53 D HA 0.114 4.755 4.640 0.001 0.000 0.249 53 D C 0.650 176.918 176.300 -0.054 0.000 1.213 53 D CA -0.138 53.842 54.000 -0.033 0.000 0.870 53 D CB 0.525 41.295 40.800 -0.051 0.000 1.076 53 D HN -0.001 nan 8.370 nan 0.000 0.483 54 R N 2.658 123.138 120.500 -0.032 0.000 2.328 54 R HA 0.013 4.353 4.340 0.001 0.000 0.207 54 R C 1.018 177.288 176.300 -0.051 0.000 1.056 54 R CA 0.632 56.716 56.100 -0.028 0.000 1.016 54 R CB 0.332 30.629 30.300 -0.005 0.000 0.872 54 R HN 0.296 nan 8.270 nan 0.000 0.471 55 K N 0.473 120.808 120.400 -0.108 0.000 2.387 55 K HA 0.145 4.466 4.320 0.001 0.000 0.198 55 K C -0.219 176.206 176.600 -0.291 0.000 1.022 55 K CA 0.204 56.384 56.287 -0.177 0.000 1.128 55 K CB 1.082 33.464 32.500 -0.197 0.000 0.853 55 K HN -0.051 nan 8.250 nan 0.000 0.523 56 V N 2.177 121.966 119.914 -0.208 0.000 2.384 56 V HA 0.187 4.308 4.120 0.001 0.000 0.287 56 V C 1.425 177.485 176.094 -0.055 0.000 1.020 56 V CA -0.418 61.780 62.300 -0.171 0.000 0.850 56 V CB 1.552 33.280 31.823 -0.158 0.000 0.987 56 V HN 0.073 nan 8.190 nan 0.000 0.436 57 L N 3.738 124.957 121.223 -0.006 0.000 2.131 57 L HA 0.226 4.566 4.340 0.001 0.000 0.206 57 L C 0.388 177.361 176.870 0.172 0.000 1.087 57 L CA 1.586 56.465 54.840 0.064 0.000 0.767 57 L CB 0.034 42.134 42.059 0.069 0.000 0.917 57 L HN 0.570 nan 8.230 nan 0.000 0.441 58 F N -0.226 119.712 119.950 -0.020 0.000 2.628 58 F HA 0.665 5.193 4.527 0.001 0.000 0.309 58 F C -1.387 174.420 175.800 0.012 0.000 1.108 58 F CA -1.101 56.898 58.000 -0.001 0.000 0.971 58 F CB 1.478 40.481 39.000 0.005 0.000 1.279 58 F HN -0.270 nan 8.300 nan 0.000 0.441 59 A N 4.109 126.357 122.820 -0.954 0.000 2.466 59 A HA 0.924 5.245 4.320 0.001 0.000 0.284 59 A C -1.813 175.347 177.584 -0.708 0.000 1.049 59 A CA 0.103 51.738 52.037 -0.670 0.000 0.760 59 A CB 0.826 19.670 19.000 -0.261 0.000 1.274 59 A HN 1.866 nan 8.150 nan 0.000 0.412 60 A N 1.720 124.209 122.820 -0.552 0.000 2.547 60 A HA 0.822 5.142 4.320 0.001 0.000 0.297 60 A C -1.102 176.500 177.584 0.031 0.000 1.056 60 A CA -0.454 51.448 52.037 -0.225 0.000 0.688 60 A CB 0.852 19.726 19.000 -0.210 0.000 1.282 60 A HN 2.029 nan 8.150 nan 0.000 0.400 61 Y N 0.428 120.712 120.300 -0.026 0.000 2.598 61 Y HA 0.877 5.427 4.550 0.001 0.000 0.340 61 Y C -0.533 175.404 175.900 0.061 0.000 1.038 61 Y CA -0.933 57.206 58.100 0.065 0.000 1.100 61 Y CB 1.832 40.343 38.460 0.084 0.000 1.281 61 Y HN 0.848 nan 8.280 nan 0.000 0.488 62 K N 0.682 121.103 120.400 0.036 0.000 2.580 62 K HA 0.512 4.832 4.320 0.001 0.000 0.258 62 K C -2.019 174.651 176.600 0.117 0.000 0.936 62 K CA -0.957 55.277 56.287 -0.089 0.000 0.852 62 K CB 1.688 34.156 32.500 -0.054 0.000 1.329 62 K HN 0.801 nan 8.250 nan 0.000 0.430 63 V N 0.836 120.792 119.914 0.069 0.000 2.370 63 V HA 0.145 4.266 4.120 0.001 0.000 0.257 63 V C 1.204 177.371 176.094 0.122 0.000 1.064 63 V CA -0.235 62.138 62.300 0.122 0.000 0.975 63 V CB 0.448 32.321 31.823 0.083 0.000 1.067 63 V HN 0.964 nan 8.190 nan 0.000 0.485 64 E N 2.136 122.428 120.200 0.153 0.000 2.086 64 E HA -0.202 4.149 4.350 0.001 0.000 0.200 64 E C 0.227 176.965 176.600 0.230 0.000 1.012 64 E CA 2.061 58.556 56.400 0.157 0.000 0.812 64 E CB 0.079 29.861 29.700 0.136 0.000 0.743 64 E HN 0.925 nan 8.360 nan 0.000 0.453 65 H N -2.221 116.963 119.070 0.190 0.000 2.996 65 H HA 0.108 4.664 4.556 0.001 0.000 0.368 65 H C -2.115 173.329 175.328 0.193 0.000 1.185 65 H CA -1.514 54.658 56.048 0.208 0.000 1.160 65 H CB 2.272 32.268 29.762 0.389 0.000 1.820 65 H HN -0.222 nan 8.280 nan 0.000 0.547 66 P HA -0.038 nan 4.420 nan 0.000 0.236 66 P C 0.965 178.287 177.300 0.036 0.000 1.177 66 P CA 0.826 63.891 63.100 -0.058 0.000 0.773 66 P CB 0.194 31.752 31.700 -0.237 0.000 0.878 67 F N -0.633 119.420 119.950 0.171 0.000 2.365 67 F HA -0.014 4.515 4.527 0.003 0.000 0.300 67 F C 0.769 176.258 175.800 -0.519 0.000 1.090 67 F CA 0.313 58.174 58.000 -0.232 0.000 1.408 67 F CB -0.100 38.590 39.000 -0.516 0.000 1.060 67 F HN -0.202 nan 8.300 nan 0.000 0.534 68 F N -1.068 119.074 119.950 0.321 0.000 2.565 68 F HA 0.548 5.075 4.527 -0.000 0.000 0.313 68 F C 0.104 176.014 175.800 0.182 0.000 1.091 68 F CA -1.563 56.561 58.000 0.206 0.000 0.915 68 F CB 1.108 40.213 39.000 0.174 0.000 1.208 68 F HN -0.390 nan 8.300 nan 0.000 0.453 69 A N 3.399 126.417 122.820 0.329 0.000 3.015 69 A HA 0.595 4.916 4.320 0.001 0.000 0.293 69 A C -0.076 177.673 177.584 0.276 0.000 1.572 69 A CA -0.482 51.714 52.037 0.265 0.000 1.274 69 A CB -0.660 18.477 19.000 0.228 0.000 1.156 69 A HN 0.796 nan 8.150 nan 0.000 0.562 70 R N 0.458 121.131 120.500 0.288 0.000 2.673 70 R HA 0.782 5.122 4.340 0.001 0.000 0.281 70 R C -1.111 175.374 176.300 0.309 0.000 0.991 70 R CA -0.677 55.574 56.100 0.252 0.000 0.896 70 R CB 1.233 31.627 30.300 0.156 0.000 1.201 70 R HN 0.478 nan 8.270 nan 0.000 0.457 71 F N -0.619 119.398 119.950 0.112 0.000 2.588 71 F HA 0.640 5.168 4.527 0.001 0.000 0.314 71 F C -1.045 174.852 175.800 0.162 0.000 1.069 71 F CA -1.319 56.740 58.000 0.098 0.000 0.931 71 F CB 2.183 41.209 39.000 0.043 0.000 1.260 71 F HN 0.285 nan 8.300 nan 0.000 0.465 72 K N 3.121 123.652 120.400 0.218 0.000 2.265 72 K HA 0.538 4.859 4.320 0.001 0.000 0.267 72 K C -1.520 175.222 176.600 0.237 0.000 0.994 72 K CA -0.823 55.545 56.287 0.136 0.000 0.860 72 K CB 2.315 34.879 32.500 0.106 0.000 1.099 72 K HN 0.700 nan 8.250 nan 0.000 0.448 73 L N 3.049 124.404 121.223 0.219 0.000 2.309 73 L HA 0.418 4.759 4.340 0.001 0.000 0.282 73 L C -0.559 176.409 176.870 0.162 0.000 1.036 73 L CA -0.214 54.772 54.840 0.244 0.000 0.806 73 L CB 1.004 43.232 42.059 0.282 0.000 1.220 73 L HN 0.550 nan 8.230 nan 0.000 0.429 74 R N 5.840 126.409 120.500 0.115 0.000 2.513 74 R HA 0.660 5.001 4.340 0.001 0.000 0.301 74 R C -1.790 174.537 176.300 0.045 0.000 0.968 74 R CA -0.560 55.608 56.100 0.114 0.000 0.872 74 R CB 1.088 31.508 30.300 0.200 0.000 1.177 74 R HN 0.742 nan 8.270 nan 0.000 0.444 75 I N 3.284 123.907 120.570 0.089 0.000 2.498 75 I HA 0.321 4.492 4.170 0.001 0.000 0.290 75 I C -0.780 175.414 176.117 0.128 0.000 1.032 75 I CA -0.846 60.492 61.300 0.063 0.000 1.073 75 I CB 2.270 40.299 38.000 0.049 0.000 1.251 75 I HN 0.553 nan 8.210 nan 0.000 0.426 76 Q N 5.142 125.034 119.800 0.155 0.000 2.292 76 Q HA 0.581 4.921 4.340 0.001 0.000 0.270 76 Q C -1.272 174.775 176.000 0.078 0.000 1.024 76 Q CA -0.529 55.362 55.803 0.148 0.000 0.768 76 Q CB 2.097 30.963 28.738 0.213 0.000 1.250 76 Q HN 0.822 nan 8.270 nan 0.000 0.447 77 T N -0.046 114.536 114.554 0.046 0.000 2.930 77 T HA 0.555 4.906 4.350 0.001 0.000 0.290 77 T C 0.066 174.783 174.700 0.028 0.000 1.052 77 T CA -0.732 61.356 62.100 -0.020 0.000 1.017 77 T CB 1.455 70.302 68.868 -0.034 0.000 1.137 77 T HN 0.531 nan 8.240 nan 0.000 0.511 78 T N 1.118 115.675 114.554 0.006 0.000 2.903 78 T HA 0.119 4.470 4.350 0.001 0.000 0.314 78 T C 0.400 175.155 174.700 0.091 0.000 1.078 78 T CA -0.586 61.542 62.100 0.047 0.000 1.114 78 T CB 0.168 69.063 68.868 0.046 0.000 0.987 78 T HN 0.797 nan 8.240 nan 0.000 0.548 79 E N 0.762 121.003 120.200 0.067 0.000 2.614 79 E HA 0.158 4.509 4.350 0.001 0.000 0.245 79 E C 1.260 177.907 176.600 0.079 0.000 1.039 79 E CA 0.784 57.223 56.400 0.065 0.000 0.948 79 E CB -0.778 28.948 29.700 0.044 0.000 0.937 79 E HN 0.978 nan 8.360 nan 0.000 0.498 80 G N 3.824 112.675 108.800 0.085 0.000 2.352 80 G HA2 -0.300 3.661 3.960 0.001 0.000 0.204 80 G HA3 -0.300 3.661 3.960 0.001 0.000 0.204 80 G C -0.203 174.751 174.900 0.091 0.000 1.004 80 G CA -0.042 45.102 45.100 0.074 0.000 0.648 80 G HN 0.595 nan 8.290 nan 0.000 0.491 81 Y N 1.794 122.105 120.300 0.018 0.000 2.300 81 Y HA 0.535 5.086 4.550 0.001 0.000 0.328 81 Y C 0.008 175.921 175.900 0.021 0.000 1.270 81 Y CA 0.422 58.534 58.100 0.020 0.000 1.352 81 Y CB 1.284 39.758 38.460 0.024 0.000 1.286 81 Y HN 0.161 nan 8.280 nan 0.000 0.536 82 D N 4.785 125.283 120.400 0.163 0.000 2.391 82 D HA 0.303 4.944 4.640 0.001 0.000 0.245 82 D C -1.877 174.581 176.300 0.263 0.000 1.069 82 D CA -2.323 51.770 54.000 0.156 0.000 0.831 82 D CB 1.847 42.666 40.800 0.032 0.000 1.204 82 D HN 0.169 nan 8.370 nan 0.000 0.503 83 P HA -0.238 nan 4.420 nan 0.000 0.217 83 P C 0.745 178.133 177.300 0.146 0.000 1.151 83 P CA 1.390 64.590 63.100 0.166 0.000 0.849 83 P CB 0.327 32.091 31.700 0.107 0.000 0.787 84 K N -0.402 120.060 120.400 0.102 0.000 2.063 84 K HA -0.140 4.181 4.320 0.001 0.000 0.208 84 K C 1.846 178.497 176.600 0.084 0.000 1.048 84 K CA 1.536 57.865 56.287 0.070 0.000 0.928 84 K CB -0.477 32.042 32.500 0.033 0.000 0.713 84 K HN 0.162 nan 8.250 nan 0.000 0.442 85 D N 0.645 121.101 120.400 0.093 0.000 2.178 85 D HA -0.108 4.533 4.640 0.001 0.000 0.202 85 D C 1.851 178.282 176.300 0.219 0.000 0.974 85 D CA 1.111 55.156 54.000 0.074 0.000 0.841 85 D CB -0.060 40.675 40.800 -0.108 0.000 0.953 85 D HN 0.224 nan 8.370 nan 0.000 0.478 86 A N 0.911 123.957 122.820 0.378 0.000 1.898 86 A HA -0.128 4.192 4.320 0.001 0.000 0.216 86 A C 2.171 179.845 177.584 0.150 0.000 1.181 86 A CA 0.819 53.038 52.037 0.304 0.000 0.620 86 A CB -0.663 18.425 19.000 0.147 0.000 0.819 86 A HN 0.189 nan 8.150 nan 0.000 0.442 87 L N -0.072 121.228 121.223 0.128 0.000 1.976 87 L HA -0.156 4.185 4.340 0.001 0.000 0.209 87 L C 2.319 179.246 176.870 0.095 0.000 1.071 87 L CA 2.267 57.172 54.840 0.107 0.000 0.746 87 L CB -0.587 41.540 42.059 0.113 0.000 0.890 87 L HN 0.338 nan 8.230 nan 0.000 0.432 88 K N -0.442 120.009 120.400 0.086 0.000 2.000 88 K HA -0.256 4.064 4.320 0.001 0.000 0.218 88 K C 2.023 178.663 176.600 0.066 0.000 1.053 88 K CA 2.288 58.613 56.287 0.065 0.000 0.946 88 K CB -0.501 32.027 32.500 0.047 0.000 0.723 88 K HN 0.506 nan 8.250 nan 0.000 0.446 89 N N -0.021 118.729 118.700 0.083 0.000 2.223 89 N HA -0.142 4.598 4.740 0.001 0.000 0.185 89 N C 1.753 177.303 175.510 0.066 0.000 1.016 89 N CA 0.819 53.917 53.050 0.079 0.000 0.863 89 N CB -0.029 38.527 38.487 0.114 0.000 0.983 89 N HN 0.227 nan 8.380 nan 0.000 0.429 90 A N 0.408 123.268 122.820 0.067 0.000 1.968 90 A HA -0.086 4.234 4.320 0.001 0.000 0.217 90 A C 2.514 180.119 177.584 0.035 0.000 1.169 90 A CA 0.694 52.757 52.037 0.044 0.000 0.638 90 A CB -0.649 18.373 19.000 0.036 0.000 0.812 90 A HN 0.406 nan 8.150 nan 0.000 0.446 91 C N -0.221 119.107 119.300 0.046 0.000 2.446 91 C HA -0.075 4.386 4.460 0.001 0.000 0.277 91 C C 2.660 177.668 174.990 0.030 0.000 1.275 91 C CA 1.124 60.167 59.018 0.042 0.000 1.727 91 C CB -1.303 26.471 27.740 0.057 0.000 2.010 91 C HN 0.630 nan 8.230 nan 0.000 0.486 92 N N 0.456 119.175 118.700 0.031 0.000 2.188 92 N HA -0.108 4.633 4.740 0.001 0.000 0.184 92 N C 1.952 177.474 175.510 0.020 0.000 1.018 92 N CA 1.314 54.379 53.050 0.025 0.000 0.858 92 N CB -0.539 37.964 38.487 0.026 0.000 0.989 92 N HN 0.458 nan 8.380 nan 0.000 0.426 93 S N 0.657 116.370 115.700 0.021 0.000 2.399 93 S HA 0.016 4.487 4.470 0.001 0.000 0.231 93 S C 1.994 176.599 174.600 0.008 0.000 1.022 93 S CA 0.541 58.750 58.200 0.015 0.000 0.983 93 S CB -0.093 63.116 63.200 0.016 0.000 0.803 93 S HN 0.208 nan 8.310 nan 0.000 0.480 94 I N 0.911 121.484 120.570 0.005 0.000 2.202 94 I HA -0.148 4.023 4.170 0.001 0.000 0.242 94 I C 2.098 178.213 176.117 -0.002 0.000 1.091 94 I CA 1.218 62.516 61.300 -0.004 0.000 1.368 94 I CB -0.358 37.637 38.000 -0.009 0.000 1.058 94 I HN 0.304 nan 8.210 nan 0.000 0.410 95 I N 0.826 121.399 120.570 0.005 0.000 2.179 95 I HA -0.289 3.881 4.170 0.001 0.000 0.242 95 I C 2.111 178.231 176.117 0.005 0.000 1.088 95 I CA 1.340 62.642 61.300 0.005 0.000 1.357 95 I CB -0.604 37.402 38.000 0.010 0.000 1.051 95 I HN 0.273 nan 8.210 nan 0.000 0.409 96 N N 0.899 119.604 118.700 0.008 0.000 2.309 96 N HA -0.139 4.602 4.740 0.001 0.000 0.182 96 N C 1.756 177.272 175.510 0.010 0.000 1.018 96 N CA 1.123 54.180 53.050 0.010 0.000 0.876 96 N CB -0.147 38.347 38.487 0.013 0.000 0.972 96 N HN 0.394 nan 8.380 nan 0.000 0.434 97 K N 0.352 120.756 120.400 0.007 0.000 2.116 97 K HA 0.119 4.440 4.320 0.001 0.000 0.203 97 K C 1.998 178.601 176.600 0.004 0.000 1.052 97 K CA 0.470 56.761 56.287 0.006 0.000 0.952 97 K CB 0.061 32.562 32.500 0.002 0.000 0.729 97 K HN 0.072 nan 8.250 nan 0.000 0.446 98 L N -0.394 120.827 121.223 -0.003 0.000 2.044 98 L HA -0.062 4.278 4.340 0.001 0.000 0.205 98 L C 2.435 179.303 176.870 -0.003 0.000 1.075 98 L CA 1.286 56.119 54.840 -0.011 0.000 0.747 98 L CB -0.666 41.380 42.059 -0.021 0.000 0.903 98 L HN 0.322 nan 8.230 nan 0.000 0.435 99 G N -0.539 108.262 108.800 0.002 0.000 2.501 99 G HA2 -0.183 3.777 3.960 0.001 0.000 0.220 99 G HA3 -0.183 3.777 3.960 0.001 0.000 0.220 99 G C 1.582 176.492 174.900 0.017 0.000 1.114 99 G CA 0.899 46.003 45.100 0.008 0.000 0.757 99 G HN 0.483 nan 8.290 nan 0.000 0.559 100 A N -0.168 122.664 122.820 0.019 0.000 2.014 100 A HA 0.392 4.712 4.320 0.001 0.000 0.210 100 A C 2.186 179.795 177.584 0.043 0.000 1.188 100 A CA 0.428 52.482 52.037 0.029 0.000 0.731 100 A CB -0.208 18.807 19.000 0.025 0.000 0.858 100 A HN 0.303 nan 8.150 nan 0.000 0.464 101 L N -0.180 121.064 121.223 0.036 0.000 2.012 101 L HA -0.212 4.129 4.340 0.001 0.000 0.210 101 L C 2.544 179.463 176.870 0.081 0.000 1.073 101 L CA 2.251 57.123 54.840 0.054 0.000 0.748 101 L CB -0.300 41.769 42.059 0.017 0.000 0.891 101 L HN 0.468 nan 8.230 nan 0.000 0.431 102 K N -0.973 119.451 120.400 0.040 0.000 2.074 102 K HA -0.198 4.123 4.320 0.001 0.000 0.209 102 K C 1.716 178.375 176.600 0.099 0.000 1.048 102 K CA 2.175 58.489 56.287 0.045 0.000 0.926 102 K CB -0.021 32.483 32.500 0.007 0.000 0.713 102 K HN 0.398 nan 8.250 nan 0.000 0.444 103 T N 0.412 115.013 114.554 0.079 0.000 3.014 103 T HA 0.006 4.357 4.350 0.001 0.000 0.263 103 T C 1.466 176.222 174.700 0.093 0.000 1.078 103 T CA 0.699 62.846 62.100 0.079 0.000 1.135 103 T CB -0.134 68.766 68.868 0.052 0.000 0.895 103 T HN 0.203 nan 8.240 nan 0.000 0.480 104 N N 0.783 119.545 118.700 0.103 0.000 2.250 104 N HA 0.105 4.846 4.740 0.001 0.000 0.181 104 N C 1.359 176.949 175.510 0.134 0.000 1.017 104 N CA 0.499 53.608 53.050 0.099 0.000 0.866 104 N CB -0.381 38.157 38.487 0.085 0.000 0.985 104 N HN 0.372 nan 8.380 nan 0.000 0.429 105 F N 1.785 121.758 119.950 0.038 0.000 2.186 105 F HA -0.065 4.463 4.527 0.001 0.000 0.299 105 F C 2.318 178.179 175.800 0.102 0.000 1.090 105 F CA 1.201 59.234 58.000 0.056 0.000 1.307 105 F CB 0.047 39.060 39.000 0.020 0.000 1.019 105 F HN 0.005 nan 8.300 nan 0.000 0.489 106 E N -0.497 119.859 120.200 0.261 0.000 2.110 106 E HA -0.165 4.186 4.350 0.001 0.000 0.193 106 E C 2.014 178.701 176.600 0.146 0.000 0.988 106 E CA 1.934 58.461 56.400 0.212 0.000 0.804 106 E CB -0.083 29.721 29.700 0.173 0.000 0.745 106 E HN 0.469 nan 8.360 nan 0.000 0.458 107 T N 0.251 114.854 114.554 0.083 0.000 2.812 107 T HA -0.064 4.287 4.350 0.001 0.000 0.264 107 T C 1.512 176.212 174.700 0.000 0.000 1.042 107 T CA 0.760 62.886 62.100 0.044 0.000 1.140 107 T CB -0.152 68.734 68.868 0.030 0.000 0.870 107 T HN 0.053 nan 8.240 nan 0.000 0.445 108 E N 0.034 120.211 120.200 -0.039 0.000 2.409 108 E HA -0.061 4.290 4.350 0.001 0.000 0.198 108 E C 1.534 178.053 176.600 -0.135 0.000 1.024 108 E CA 0.272 56.612 56.400 -0.099 0.000 0.861 108 E CB -0.110 29.519 29.700 -0.118 0.000 0.788 108 E HN 0.712 nan 8.360 nan 0.000 0.521 109 W N 1.161 122.273 121.300 -0.313 0.000 2.539 109 W HA 0.000 4.661 4.660 0.002 0.000 0.281 109 W C 0.928 177.367 176.519 -0.132 0.000 1.220 109 W CA 0.319 57.495 57.345 -0.281 0.000 1.332 109 W CB 0.053 29.339 29.460 -0.289 0.000 1.095 109 W HN -0.031 nan 8.180 nan 0.000 0.571 110 N N 1.474 120.109 118.700 -0.107 0.000 2.512 110 N HA -0.065 4.675 4.740 0.001 0.000 0.183 110 N C 1.700 177.088 175.510 -0.204 0.000 1.073 110 N CA 1.006 53.963 53.050 -0.156 0.000 0.911 110 N CB -0.395 38.097 38.487 0.009 0.000 0.964 110 N HN 0.311 nan 8.380 nan 0.000 0.447 111 L N 0.064 121.168 121.223 -0.199 0.000 2.375 111 L HA 0.054 4.394 4.340 0.001 0.000 0.215 111 L C 0.839 177.582 176.870 -0.212 0.000 1.108 111 L CA 0.447 55.189 54.840 -0.164 0.000 0.830 111 L CB -0.003 41.988 42.059 -0.114 0.000 0.959 111 L HN 0.012 nan 8.230 nan 0.000 0.457 112 Q N 0.489 120.095 119.800 -0.324 0.000 2.317 112 Q HA 0.274 4.615 4.340 0.001 0.000 0.229 112 Q C -0.126 175.672 176.000 -0.337 0.000 0.984 112 Q CA 0.150 55.758 55.803 -0.325 0.000 0.911 112 Q CB 1.322 29.828 28.738 -0.385 0.000 1.217 112 Q HN 0.100 nan 8.270 nan 0.000 0.501 113 T N -0.067 114.342 114.554 -0.242 0.000 2.948 113 T HA 0.609 4.960 4.350 0.001 0.000 0.285 113 T C 0.091 174.680 174.700 -0.185 0.000 1.019 113 T CA -0.783 61.200 62.100 -0.196 0.000 1.013 113 T CB 0.998 69.793 68.868 -0.122 0.000 1.117 113 T HN 0.487 nan 8.240 nan 0.000 0.533 114 L N 0.000 121.144 121.223 -0.131 0.000 2.949 114 L HA 0.000 4.341 4.340 0.001 0.000 0.249 114 L CA 0.000 54.792 54.840 -0.080 0.000 0.813 114 L CB 0.000 42.030 42.059 -0.049 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502