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 2nvz_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 0.000 176.284 176.300 -0.027 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.024 0.000 0.988 1 M CB 0.000 32.592 32.600 -0.014 0.000 1.302 2 N N 0.901 119.581 118.700 -0.034 0.000 2.143 2 N HA 0.370 5.111 4.740 0.001 0.000 0.222 2 N C -0.051 175.412 175.510 -0.078 0.000 1.264 2 N CA 0.488 53.516 53.050 -0.037 0.000 0.897 2 N CB 1.242 39.723 38.487 -0.011 0.000 1.092 2 N HN 0.372 nan 8.380 nan 0.000 0.516 3 A N 2.826 125.588 122.820 -0.096 0.000 2.548 3 A HA 0.279 4.600 4.320 0.001 0.000 0.247 3 A C -1.833 175.649 177.584 -0.169 0.000 1.067 3 A CA -0.441 51.508 52.037 -0.148 0.000 0.757 3 A CB -0.347 18.578 19.000 -0.125 0.000 0.996 3 A HN 0.031 nan 8.150 nan 0.000 0.504 4 P HA 0.307 nan 4.420 nan 0.000 0.284 4 P C -0.888 176.240 177.300 -0.286 0.000 1.253 4 P CA -0.560 62.402 63.100 -0.231 0.000 0.800 4 P CB 0.672 32.221 31.700 -0.250 0.000 0.961 5 D N 2.080 122.260 120.400 -0.365 0.000 2.548 5 D HA -0.047 4.593 4.640 0.001 0.000 0.231 5 D C 1.698 177.647 176.300 -0.585 0.000 1.142 5 D CA 0.141 53.808 54.000 -0.555 0.000 0.866 5 D CB 0.509 40.739 40.800 -0.950 0.000 1.190 5 D HN 0.174 nan 8.370 nan 0.000 0.469 6 R N 2.162 122.415 120.500 -0.412 0.000 2.105 6 R HA -0.155 4.186 4.340 0.001 0.000 0.239 6 R C 1.956 178.154 176.300 -0.170 0.000 1.135 6 R CA 0.929 56.904 56.100 -0.207 0.000 0.967 6 R CB -0.731 29.536 30.300 -0.054 0.000 0.861 6 R HN 0.649 nan 8.270 nan 0.000 0.442 7 F N 0.861 120.725 119.950 -0.143 0.000 2.699 7 F HA 0.153 4.679 4.527 -0.002 0.000 0.298 7 F C 0.758 176.220 175.800 -0.564 0.000 1.154 7 F CA -0.158 57.590 58.000 -0.421 0.000 1.457 7 F CB -0.703 38.073 39.000 -0.373 0.000 1.106 7 F HN -0.139 nan 8.300 nan 0.000 0.585 8 E N 0.965 120.944 120.200 -0.369 0.000 2.441 8 E HA 0.121 4.472 4.350 0.001 0.000 0.210 8 E C 0.966 177.501 176.600 -0.107 0.000 1.306 8 E CA 0.048 56.332 56.400 -0.193 0.000 1.307 8 E CB -0.543 29.030 29.700 -0.211 0.000 1.297 8 E HN 0.594 nan 8.360 nan 0.000 0.440 9 L N -0.977 120.165 121.223 -0.134 0.000 2.920 9 L HA 0.202 4.543 4.340 0.001 0.000 0.257 9 L C 0.685 177.714 176.870 0.266 0.000 1.150 9 L CA 0.028 54.926 54.840 0.097 0.000 0.959 9 L CB 0.299 42.498 42.059 0.233 0.000 1.321 9 L HN 0.308 nan 8.230 nan 0.000 0.555 10 F N -3.997 116.016 119.950 0.104 0.000 2.801 10 F HA 0.300 4.829 4.527 0.003 0.000 0.381 10 F C 0.211 176.063 175.800 0.086 0.000 0.861 10 F CA -0.689 57.364 58.000 0.088 0.000 1.039 10 F CB 0.139 39.181 39.000 0.071 0.000 1.041 10 F HN -0.296 nan 8.300 nan 0.000 0.596 11 L N 4.447 125.460 121.223 -0.350 0.000 2.600 11 L HA 0.246 4.587 4.340 0.001 0.000 0.278 11 L C -0.356 176.499 176.870 -0.026 0.000 1.139 11 L CA 0.039 54.792 54.840 -0.144 0.000 0.933 11 L CB 0.220 42.154 42.059 -0.208 0.000 1.266 11 L HN 0.141 nan 8.230 nan 0.000 0.471 12 L N 3.618 124.848 121.223 0.012 0.000 2.416 12 L HA 0.446 4.786 4.340 0.001 0.000 0.272 12 L C 1.169 178.044 176.870 0.008 0.000 1.161 12 L CA 0.071 54.922 54.840 0.018 0.000 0.845 12 L CB -0.116 41.956 42.059 0.022 0.000 1.119 12 L HN 0.543 nan 8.230 nan 0.000 0.464 13 G N 1.515 110.323 108.800 0.013 0.000 2.510 13 G HA2 0.322 4.282 3.960 0.001 0.000 0.280 13 G HA3 0.322 4.282 3.960 0.001 0.000 0.280 13 G C -0.556 174.344 174.900 0.000 0.000 1.386 13 G CA -0.689 44.419 45.100 0.012 0.000 1.047 13 G HN 0.669 nan 8.290 nan 0.000 0.527 14 E N -0.282 119.917 120.200 -0.001 0.000 2.194 14 E HA 0.413 4.764 4.350 0.001 0.000 0.284 14 E C 0.689 177.282 176.600 -0.010 0.000 1.035 14 E CA 0.545 56.941 56.400 -0.007 0.000 0.836 14 E CB 1.018 30.714 29.700 -0.006 0.000 1.070 14 E HN 0.909 nan 8.360 nan 0.000 0.401 15 G N 3.546 112.338 108.800 -0.013 0.000 2.160 15 G HA2 -0.291 3.670 3.960 0.001 0.000 0.244 15 G HA3 -0.291 3.670 3.960 0.001 0.000 0.244 15 G C -0.222 174.666 174.900 -0.020 0.000 1.022 15 G CA -0.032 45.059 45.100 -0.016 0.000 0.741 15 G HN 0.545 nan 8.290 nan 0.000 0.508 16 E N 0.189 120.378 120.200 -0.018 0.000 2.210 16 E HA 0.592 4.942 4.350 0.001 0.000 0.266 16 E C -0.222 176.364 176.600 -0.023 0.000 0.883 16 E CA -0.570 55.817 56.400 -0.021 0.000 0.761 16 E CB 1.662 31.353 29.700 -0.015 0.000 1.156 16 E HN 0.181 nan 8.360 nan 0.000 0.412 17 S N 1.804 117.484 115.700 -0.033 0.000 2.687 17 S HA 0.220 4.691 4.470 0.001 0.000 0.283 17 S C 0.705 175.276 174.600 -0.049 0.000 1.170 17 S CA -0.854 57.321 58.200 -0.043 0.000 1.008 17 S CB 1.426 64.593 63.200 -0.055 0.000 1.026 17 S HN 0.418 nan 8.310 nan 0.000 0.541 18 K N 0.375 120.739 120.400 -0.060 0.000 2.393 18 K HA 0.331 4.652 4.320 0.001 0.000 0.193 18 K C -0.583 175.921 176.600 -0.160 0.000 1.026 18 K CA 0.339 56.584 56.287 -0.070 0.000 1.064 18 K CB -0.058 32.418 32.500 -0.041 0.000 0.833 18 K HN 0.519 nan 8.250 nan 0.000 0.521 19 L N 0.807 121.923 121.223 -0.178 0.000 2.472 19 L HA 0.378 4.719 4.340 0.001 0.000 0.260 19 L C -0.936 175.833 176.870 -0.168 0.000 0.963 19 L CA -0.738 53.943 54.840 -0.266 0.000 0.829 19 L CB 2.592 44.444 42.059 -0.344 0.000 1.348 19 L HN -0.233 nan 8.230 nan 0.000 0.408 20 K N 2.846 123.155 120.400 -0.153 0.000 2.316 20 K HA 0.722 5.043 4.320 0.001 0.000 0.251 20 K C -1.507 175.049 176.600 -0.073 0.000 0.934 20 K CA -0.578 55.656 56.287 -0.088 0.000 0.802 20 K CB 2.156 34.621 32.500 -0.059 0.000 1.171 20 K HN 0.490 nan 8.250 nan 0.000 0.426 21 I N 3.173 123.713 120.570 -0.051 0.000 2.468 21 I HA 0.257 4.428 4.170 0.001 0.000 0.284 21 I C -1.146 174.960 176.117 -0.018 0.000 1.038 21 I CA -0.501 60.779 61.300 -0.034 0.000 1.083 21 I CB 1.714 39.688 38.000 -0.043 0.000 1.223 21 I HN 0.485 nan 8.210 nan 0.000 0.443 22 D N 7.761 128.159 120.400 -0.003 0.000 2.780 22 D HA 0.412 5.053 4.640 0.001 0.000 0.242 22 D C -2.641 173.666 176.300 0.012 0.000 1.135 22 D CA -1.220 52.781 54.000 0.002 0.000 0.859 22 D CB 3.388 44.190 40.800 0.004 0.000 1.530 22 D HN 0.083 nan 8.370 nan 0.000 0.493 23 P HA 0.148 nan 4.420 nan 0.000 0.274 23 P C -0.662 176.647 177.300 0.016 0.000 1.237 23 P CA -0.388 62.720 63.100 0.015 0.000 0.793 23 P CB 0.776 32.480 31.700 0.008 0.000 0.977 24 D N -0.482 119.928 120.400 0.018 0.000 2.383 24 D HA 0.053 4.693 4.640 0.001 0.000 0.252 24 D C 1.130 177.429 176.300 -0.001 0.000 1.166 24 D CA 0.107 54.112 54.000 0.008 0.000 0.879 24 D CB 0.430 41.230 40.800 -0.001 0.000 1.164 24 D HN 0.319 nan 8.370 nan 0.000 0.462 25 T N 1.167 115.719 114.554 -0.003 0.000 3.051 25 T HA -0.090 4.261 4.350 0.001 0.000 0.269 25 T C 1.223 175.917 174.700 -0.010 0.000 1.127 25 T CA 0.783 62.880 62.100 -0.005 0.000 1.107 25 T CB 0.102 68.967 68.868 -0.004 0.000 0.898 25 T HN 0.243 nan 8.240 nan 0.000 0.517 26 K N 1.355 121.745 120.400 -0.016 0.000 2.324 26 K HA 0.510 4.831 4.320 0.001 0.000 0.222 26 K C 1.083 177.669 176.600 -0.024 0.000 1.107 26 K CA 0.553 56.826 56.287 -0.022 0.000 0.873 26 K CB -0.328 32.154 32.500 -0.031 0.000 1.270 26 K HN 0.342 nan 8.250 nan 0.000 0.456 27 A N 4.375 127.173 122.820 -0.036 0.000 2.354 27 A HA 0.418 4.739 4.320 0.001 0.000 0.281 27 A C -2.381 175.196 177.584 -0.012 0.000 1.174 27 A CA -1.148 50.869 52.037 -0.033 0.000 0.828 27 A CB -0.079 18.883 19.000 -0.062 0.000 1.099 27 A HN -0.002 nan 8.150 nan 0.000 0.516 28 P HA 0.114 nan 4.420 nan 0.000 0.272 28 P C 0.377 177.690 177.300 0.022 0.000 1.230 28 P CA -0.251 62.854 63.100 0.009 0.000 0.788 28 P CB 0.324 32.030 31.700 0.010 0.000 0.949 29 N N -1.022 117.694 118.700 0.027 0.000 2.721 29 N HA -0.206 4.535 4.740 0.001 0.000 0.249 29 N C -1.080 174.461 175.510 0.052 0.000 1.072 29 N CA 1.136 54.210 53.050 0.039 0.000 0.710 29 N CB -1.109 37.409 38.487 0.051 0.000 0.993 29 N HN 0.572 nan 8.380 nan 0.000 0.547 30 A N -0.683 122.163 122.820 0.043 0.000 2.449 30 A HA 0.757 5.078 4.320 0.001 0.000 0.302 30 A C -0.508 177.108 177.584 0.053 0.000 1.048 30 A CA -0.441 51.631 52.037 0.060 0.000 0.708 30 A CB 2.255 21.281 19.000 0.043 0.000 1.274 30 A HN 0.050 nan 8.150 nan 0.000 0.410 31 V N 1.680 121.641 119.914 0.078 0.000 2.789 31 V HA 0.478 4.599 4.120 0.001 0.000 0.311 31 V C -0.597 175.558 176.094 0.101 0.000 1.073 31 V CA -0.629 61.712 62.300 0.068 0.000 0.921 31 V CB 2.056 33.910 31.823 0.051 0.000 1.009 31 V HN 0.703 nan 8.190 nan 0.000 0.426 32 V N 5.646 125.611 119.914 0.085 0.000 2.333 32 V HA 0.469 4.590 4.120 0.001 0.000 0.274 32 V C -0.169 175.980 176.094 0.092 0.000 1.028 32 V CA -0.209 62.156 62.300 0.109 0.000 0.851 32 V CB 1.214 33.091 31.823 0.091 0.000 1.000 32 V HN 0.643 nan 8.190 nan 0.000 0.456 33 I N 4.244 124.892 120.570 0.130 0.000 2.339 33 I HA 0.295 4.466 4.170 0.001 0.000 0.290 33 I C 0.349 176.549 176.117 0.138 0.000 0.994 33 I CA -0.020 61.334 61.300 0.090 0.000 1.191 33 I CB 1.759 39.801 38.000 0.071 0.000 1.343 33 I HN 0.501 nan 8.210 nan 0.000 0.458 34 T N 6.786 121.361 114.554 0.035 0.000 2.811 34 T HA 0.366 4.717 4.350 0.001 0.000 0.309 34 T C -0.073 174.594 174.700 -0.054 0.000 1.005 34 T CA -0.362 61.759 62.100 0.035 0.000 0.955 34 T CB -0.362 68.511 68.868 0.009 0.000 0.970 34 T HN 0.061 nan 8.240 nan 0.000 0.496 35 F N 2.409 122.151 119.950 -0.347 0.000 2.506 35 F HA 0.283 4.810 4.527 0.001 0.000 0.351 35 F C 1.291 176.918 175.800 -0.290 0.000 1.136 35 F CA -0.221 57.526 58.000 -0.422 0.000 1.298 35 F CB 0.498 38.909 39.000 -0.982 0.000 1.145 35 F HN 0.374 nan 8.300 nan 0.000 0.593 36 E N 1.254 121.451 120.200 -0.005 0.000 2.312 36 E HA 0.224 4.574 4.350 0.001 0.000 0.267 36 E C -0.777 175.871 176.600 0.080 0.000 0.894 36 E CA -1.021 55.394 56.400 0.026 0.000 0.773 36 E CB 1.870 31.570 29.700 0.001 0.000 1.241 36 E HN 0.317 nan 8.360 nan 0.000 0.432 37 K N 1.791 122.253 120.400 0.102 0.000 4.007 37 K HA -0.195 4.126 4.320 0.001 0.000 0.279 37 K C -0.434 176.279 176.600 0.189 0.000 0.919 37 K CA 0.981 57.351 56.287 0.139 0.000 0.800 37 K CB -1.011 31.563 32.500 0.124 0.000 1.572 37 K HN 0.510 nan 8.250 nan 0.000 0.443 38 E N 0.519 120.851 120.200 0.219 0.000 2.388 38 E HA 0.231 4.582 4.350 0.001 0.000 0.281 38 E C -0.874 175.920 176.600 0.323 0.000 1.046 38 E CA -0.614 55.963 56.400 0.296 0.000 0.825 38 E CB 1.663 31.621 29.700 0.430 0.000 1.243 38 E HN 0.320 nan 8.360 nan 0.000 0.438 39 D N -1.237 119.268 120.400 0.175 0.000 2.525 39 D HA 0.186 4.826 4.640 0.001 0.000 0.249 39 D C 0.571 176.728 176.300 -0.238 0.000 1.072 39 D CA -0.435 53.529 54.000 -0.060 0.000 1.067 39 D CB 0.088 40.818 40.800 -0.117 0.000 1.282 39 D HN 0.514 nan 8.370 nan 0.000 0.587 40 H N -1.522 117.463 119.070 -0.142 0.000 3.383 40 H HA 0.171 4.729 4.556 0.002 0.000 0.283 40 H C -0.173 175.007 175.328 -0.247 0.000 1.218 40 H CA 0.011 55.872 56.048 -0.311 0.000 1.223 40 H CB -0.924 28.812 29.762 -0.044 0.000 1.352 40 H HN 0.273 nan 8.280 nan 0.000 0.654 41 T N -0.215 114.276 114.554 -0.105 0.000 3.037 41 T HA 0.012 4.362 4.350 0.001 0.000 0.252 41 T C 1.679 176.288 174.700 -0.151 0.000 1.073 41 T CA -0.111 61.940 62.100 -0.082 0.000 1.091 41 T CB 0.296 69.146 68.868 -0.029 0.000 0.935 41 T HN 0.230 nan 8.240 nan 0.000 0.488 42 L N 0.841 121.927 121.223 -0.228 0.000 2.575 42 L HA 0.501 4.842 4.340 0.001 0.000 0.228 42 L C 2.321 178.770 176.870 -0.702 0.000 1.075 42 L CA 0.525 55.230 54.840 -0.224 0.000 0.867 42 L CB -0.157 41.955 42.059 0.088 0.000 1.097 42 L HN 0.309 nan 8.230 nan 0.000 0.485 43 G N -0.881 107.104 108.800 -1.360 0.000 2.464 43 G HA2 -0.222 3.739 3.960 0.001 0.000 0.217 43 G HA3 -0.222 3.739 3.960 0.001 0.000 0.217 43 G C 1.364 175.214 174.900 -1.749 0.000 1.138 43 G CA 0.658 44.442 45.100 -2.193 0.000 0.793 43 G HN 0.349 nan 8.290 nan 0.000 0.539 44 N N -0.439 117.701 118.700 -0.933 0.000 2.420 44 N HA 0.038 4.779 4.740 0.001 0.000 0.185 44 N C 1.887 177.186 175.510 -0.351 0.000 1.033 44 N CA 0.034 52.734 53.050 -0.583 0.000 0.879 44 N CB -0.188 38.147 38.487 -0.253 0.000 1.071 44 N HN 0.068 nan 8.380 nan 0.000 0.437 45 L N 0.503 121.569 121.223 -0.262 0.000 2.191 45 L HA 0.071 4.412 4.340 0.001 0.000 0.212 45 L C 1.476 178.265 176.870 -0.135 0.000 1.103 45 L CA 1.186 55.935 54.840 -0.152 0.000 0.769 45 L CB -0.613 41.384 42.059 -0.103 0.000 0.908 45 L HN 0.218 nan 8.230 nan 0.000 0.438 46 I N -0.960 119.494 120.570 -0.193 0.000 2.333 46 I HA -0.149 4.022 4.170 0.001 0.000 0.246 46 I C 2.711 178.766 176.117 -0.104 0.000 1.106 46 I CA 1.037 62.270 61.300 -0.113 0.000 1.411 46 I CB -0.478 37.475 38.000 -0.079 0.000 1.082 46 I HN 0.240 nan 8.210 nan 0.000 0.420 47 R N 0.529 120.917 120.500 -0.187 0.000 2.062 47 R HA -0.041 4.300 4.340 0.001 0.000 0.229 47 R C 2.007 178.262 176.300 -0.074 0.000 1.128 47 R CA 1.376 57.411 56.100 -0.109 0.000 0.960 47 R CB -0.258 29.991 30.300 -0.086 0.000 0.855 47 R HN 0.310 nan 8.270 nan 0.000 0.432 48 A N 0.404 123.175 122.820 -0.083 0.000 2.239 48 A HA -0.024 4.297 4.320 0.001 0.000 0.209 48 A C 1.245 178.806 177.584 -0.038 0.000 1.171 48 A CA 0.747 52.752 52.037 -0.053 0.000 0.768 48 A CB 0.029 18.998 19.000 -0.052 0.000 0.790 48 A HN 0.310 nan 8.150 nan 0.000 0.478 49 E N -1.083 119.095 120.200 -0.036 0.000 2.526 49 E HA 0.212 4.563 4.350 0.001 0.000 0.208 49 E C 1.035 177.636 176.600 0.002 0.000 0.997 49 E CA -0.018 56.373 56.400 -0.014 0.000 0.961 49 E CB 0.344 30.038 29.700 -0.011 0.000 1.030 49 E HN 0.603 nan 8.360 nan 0.000 0.483 50 L N 0.327 121.547 121.223 -0.004 0.000 2.558 50 L HA 0.031 4.372 4.340 0.001 0.000 0.225 50 L C 1.704 178.576 176.870 0.003 0.000 1.128 50 L CA 0.146 54.994 54.840 0.013 0.000 0.868 50 L CB 0.244 42.309 42.059 0.011 0.000 1.006 50 L HN 0.061 nan 8.230 nan 0.000 0.454 51 L N -0.639 120.577 121.223 -0.012 0.000 2.307 51 L HA 0.004 4.345 4.340 0.001 0.000 0.211 51 L C 1.960 178.827 176.870 -0.005 0.000 1.099 51 L CA 0.878 55.708 54.840 -0.016 0.000 0.816 51 L CB -0.393 41.650 42.059 -0.027 0.000 0.952 51 L HN 0.220 nan 8.230 nan 0.000 0.455 52 N N -0.387 118.312 118.700 -0.001 0.000 2.289 52 N HA -0.138 4.603 4.740 0.001 0.000 0.184 52 N C 0.302 175.814 175.510 0.003 0.000 1.016 52 N CA 0.681 53.732 53.050 0.001 0.000 0.872 52 N CB -0.457 38.032 38.487 0.003 0.000 0.973 52 N HN 0.267 nan 8.380 nan 0.000 0.433 53 D N 0.024 120.431 120.400 0.011 0.000 2.338 53 D HA 0.144 4.785 4.640 0.001 0.000 0.255 53 D C 0.688 176.987 176.300 -0.003 0.000 1.237 53 D CA -0.115 53.891 54.000 0.010 0.000 0.883 53 D CB 0.611 41.437 40.800 0.042 0.000 1.087 53 D HN 0.070 nan 8.370 nan 0.000 0.485 54 R N 2.533 123.020 120.500 -0.022 0.000 2.235 54 R HA -0.009 4.332 4.340 0.001 0.000 0.213 54 R C 1.247 177.521 176.300 -0.043 0.000 1.059 54 R CA 0.547 56.632 56.100 -0.025 0.000 0.997 54 R CB 0.179 30.461 30.300 -0.029 0.000 0.884 54 R HN 0.269 nan 8.270 nan 0.000 0.462 55 K N 0.795 121.140 120.400 -0.092 0.000 2.555 55 K HA 0.057 4.378 4.320 0.001 0.000 0.193 55 K C -0.034 176.539 176.600 -0.046 0.000 1.032 55 K CA 0.440 56.624 56.287 -0.173 0.000 1.004 55 K CB 0.451 32.663 32.500 -0.479 0.000 0.804 55 K HN 0.002 nan 8.250 nan 0.000 0.496 56 V N 2.658 122.593 119.914 0.034 0.000 2.334 56 V HA 0.127 4.247 4.120 0.001 0.000 0.281 56 V C 1.509 177.660 176.094 0.095 0.000 1.016 56 V CA -0.298 62.066 62.300 0.107 0.000 0.832 56 V CB 1.318 33.211 31.823 0.116 0.000 0.999 56 V HN 0.075 nan 8.190 nan 0.000 0.439 57 L N 3.854 125.154 121.223 0.128 0.000 2.005 57 L HA 0.071 4.412 4.340 0.001 0.000 0.207 57 L C 0.669 177.662 176.870 0.205 0.000 1.072 57 L CA 1.945 56.870 54.840 0.142 0.000 0.744 57 L CB -0.132 42.013 42.059 0.143 0.000 0.895 57 L HN 0.526 nan 8.230 nan 0.000 0.433 58 F N -0.411 119.576 119.950 0.062 0.000 2.588 58 F HA 0.685 5.213 4.527 0.001 0.000 0.314 58 F C -0.892 174.953 175.800 0.075 0.000 1.069 58 F CA -0.918 57.118 58.000 0.061 0.000 0.931 58 F CB 1.750 40.784 39.000 0.056 0.000 1.260 58 F HN -0.190 nan 8.300 nan 0.000 0.465 59 A N 3.717 125.929 122.820 -1.013 0.000 2.500 59 A HA 0.858 5.179 4.320 0.001 0.000 0.288 59 A C -1.784 175.352 177.584 -0.747 0.000 1.045 59 A CA 0.142 51.806 52.037 -0.622 0.000 0.830 59 A CB 0.599 19.460 19.000 -0.231 0.000 1.337 59 A HN 1.804 nan 8.150 nan 0.000 0.400 60 A N 1.429 124.008 122.820 -0.402 0.000 2.601 60 A HA 0.938 5.259 4.320 0.001 0.000 0.291 60 A C -1.240 176.476 177.584 0.221 0.000 1.075 60 A CA -0.212 51.780 52.037 -0.076 0.000 0.671 60 A CB 0.937 19.907 19.000 -0.050 0.000 1.277 60 A HN 2.201 nan 8.150 nan 0.000 0.417 61 Y N -0.487 119.835 120.300 0.037 0.000 2.597 61 Y HA 0.812 5.362 4.550 0.001 0.000 0.340 61 Y C -0.886 175.078 175.900 0.106 0.000 1.097 61 Y CA -0.980 57.183 58.100 0.106 0.000 1.037 61 Y CB 1.755 40.261 38.460 0.077 0.000 1.305 61 Y HN 0.826 nan 8.280 nan 0.000 0.463 62 K N 1.486 121.887 120.400 0.003 0.000 2.535 62 K HA 0.586 4.906 4.320 0.001 0.000 0.250 62 K C -1.548 175.119 176.600 0.113 0.000 0.948 62 K CA -1.041 55.179 56.287 -0.110 0.000 0.796 62 K CB 2.375 34.859 32.500 -0.027 0.000 1.216 62 K HN 0.777 nan 8.250 nan 0.000 0.432 63 V N 0.784 120.758 119.914 0.099 0.000 2.409 63 V HA 0.036 4.157 4.120 0.001 0.000 0.270 63 V C 1.197 177.387 176.094 0.160 0.000 1.019 63 V CA -0.035 62.388 62.300 0.205 0.000 1.066 63 V CB 0.460 32.423 31.823 0.233 0.000 1.021 63 V HN 1.107 nan 8.190 nan 0.000 0.476 64 E N 2.953 123.270 120.200 0.196 0.000 2.150 64 E HA -0.067 4.284 4.350 0.001 0.000 0.193 64 E C 0.520 177.251 176.600 0.218 0.000 0.985 64 E CA 1.148 57.653 56.400 0.175 0.000 0.814 64 E CB 0.159 29.967 29.700 0.181 0.000 0.752 64 E HN 0.964 nan 8.360 nan 0.000 0.466 65 H N -2.280 116.889 119.070 0.164 0.000 3.222 65 H HA 0.109 4.667 4.556 0.002 0.000 0.315 65 H C -2.316 173.121 175.328 0.182 0.000 1.116 65 H CA -1.512 54.631 56.048 0.157 0.000 1.511 65 H CB 1.568 31.448 29.762 0.197 0.000 2.059 65 H HN -0.116 nan 8.280 nan 0.000 0.420 66 P HA -0.214 nan 4.420 nan 0.000 0.220 66 P C 0.850 178.308 177.300 0.263 0.000 1.144 66 P CA 1.378 64.665 63.100 0.312 0.000 0.808 66 P CB -0.031 31.850 31.700 0.301 0.000 0.763 67 F N -2.521 117.368 119.950 -0.103 0.000 2.187 67 F HA 0.029 4.557 4.527 0.002 0.000 0.295 67 F C 0.879 176.251 175.800 -0.713 0.000 1.091 67 F CA 0.301 57.947 58.000 -0.590 0.000 1.308 67 F CB 0.087 38.373 39.000 -1.190 0.000 1.030 67 F HN -0.247 nan 8.300 nan 0.000 0.487 68 F N -0.157 119.856 119.950 0.104 0.000 2.403 68 F HA 0.452 4.979 4.527 -0.000 0.000 0.355 68 F C 0.280 176.128 175.800 0.080 0.000 1.119 68 F CA -1.250 56.781 58.000 0.053 0.000 1.007 68 F CB 0.887 39.916 39.000 0.048 0.000 1.194 68 F HN -0.280 nan 8.300 nan 0.000 0.443 69 A N 5.288 128.222 122.820 0.191 0.000 2.993 69 A HA 0.452 4.773 4.320 0.001 0.000 0.281 69 A C 0.157 177.857 177.584 0.194 0.000 1.847 69 A CA -0.274 51.856 52.037 0.156 0.000 1.470 69 A CB -0.886 18.180 19.000 0.110 0.000 1.028 69 A HN 0.828 nan 8.150 nan 0.000 0.604 70 R N 0.775 121.409 120.500 0.224 0.000 2.508 70 R HA 0.584 4.925 4.340 0.001 0.000 0.283 70 R C -0.958 175.487 176.300 0.242 0.000 1.120 70 R CA -0.688 55.530 56.100 0.198 0.000 0.958 70 R CB 0.620 30.997 30.300 0.127 0.000 1.215 70 R HN 0.422 nan 8.270 nan 0.000 0.427 71 F N 0.082 120.114 119.950 0.136 0.000 2.458 71 F HA 0.668 5.196 4.527 0.001 0.000 0.330 71 F C -0.534 175.368 175.800 0.170 0.000 1.082 71 F CA -1.136 56.950 58.000 0.144 0.000 0.995 71 F CB 1.695 40.787 39.000 0.152 0.000 1.170 71 F HN 0.259 nan 8.300 nan 0.000 0.478 72 K N 3.217 123.767 120.400 0.250 0.000 2.182 72 K HA 0.580 4.901 4.320 0.001 0.000 0.262 72 K C -1.646 175.146 176.600 0.320 0.000 0.957 72 K CA -1.011 55.398 56.287 0.205 0.000 0.842 72 K CB 2.122 34.721 32.500 0.166 0.000 1.099 72 K HN 0.683 nan 8.250 nan 0.000 0.438 73 L N 3.145 124.556 121.223 0.313 0.000 2.305 73 L HA 0.379 4.720 4.340 0.001 0.000 0.284 73 L C -0.698 176.343 176.870 0.286 0.000 1.013 73 L CA -0.270 54.772 54.840 0.336 0.000 0.819 73 L CB 1.274 43.563 42.059 0.383 0.000 1.227 73 L HN 0.497 nan 8.230 nan 0.000 0.417 74 R N 5.687 126.371 120.500 0.307 0.000 2.294 74 R HA 0.728 5.069 4.340 0.001 0.000 0.319 74 R C -1.408 175.131 176.300 0.399 0.000 0.984 74 R CA -0.482 55.828 56.100 0.350 0.000 0.861 74 R CB 0.783 31.343 30.300 0.432 0.000 1.104 74 R HN 0.718 nan 8.270 nan 0.000 0.451 75 I N 2.835 123.600 120.570 0.325 0.000 2.582 75 I HA 0.313 4.484 4.170 0.001 0.000 0.292 75 I C -0.795 175.485 176.117 0.271 0.000 1.066 75 I CA -0.860 60.618 61.300 0.295 0.000 1.053 75 I CB 2.331 40.440 38.000 0.181 0.000 1.241 75 I HN 0.515 nan 8.210 nan 0.000 0.421 76 Q N 4.218 124.198 119.800 0.301 0.000 2.323 76 Q HA 0.662 5.003 4.340 0.001 0.000 0.271 76 Q C -1.260 174.857 176.000 0.195 0.000 1.048 76 Q CA -0.523 55.407 55.803 0.211 0.000 0.792 76 Q CB 2.611 31.465 28.738 0.195 0.000 1.280 76 Q HN 0.851 nan 8.270 nan 0.000 0.441 77 T N -0.644 114.012 114.554 0.169 0.000 2.888 77 T HA 0.500 4.851 4.350 0.001 0.000 0.288 77 T C -0.120 174.687 174.700 0.179 0.000 1.063 77 T CA -0.728 61.500 62.100 0.213 0.000 1.010 77 T CB 1.357 70.417 68.868 0.321 0.000 1.214 77 T HN 0.460 nan 8.240 nan 0.000 0.533 78 T N 2.019 116.686 114.554 0.189 0.000 2.928 78 T HA 0.138 4.489 4.350 0.001 0.000 0.305 78 T C 0.434 175.218 174.700 0.140 0.000 1.035 78 T CA -0.242 61.929 62.100 0.117 0.000 1.145 78 T CB 0.224 69.113 68.868 0.034 0.000 0.963 78 T HN 0.757 nan 8.240 nan 0.000 0.545 79 E N 1.377 121.630 120.200 0.089 0.000 2.820 79 E HA 0.008 4.359 4.350 0.001 0.000 0.251 79 E C 1.384 178.040 176.600 0.093 0.000 0.944 79 E CA 0.936 57.383 56.400 0.077 0.000 0.955 79 E CB -0.499 29.231 29.700 0.051 0.000 0.904 79 E HN 0.957 nan 8.360 nan 0.000 0.513 80 G N 3.964 112.817 108.800 0.089 0.000 2.299 80 G HA2 -0.365 3.595 3.960 0.001 0.000 0.237 80 G HA3 -0.365 3.595 3.960 0.001 0.000 0.237 80 G C -0.113 174.859 174.900 0.120 0.000 1.027 80 G CA 0.338 45.489 45.100 0.086 0.000 0.619 80 G HN 0.707 nan 8.290 nan 0.000 0.513 81 Y N 3.201 123.514 120.300 0.020 0.000 2.539 81 Y HA 0.555 5.106 4.550 0.002 0.000 0.352 81 Y C 0.471 176.387 175.900 0.026 0.000 1.004 81 Y CA -0.731 57.382 58.100 0.022 0.000 1.278 81 Y CB 0.396 38.870 38.460 0.023 0.000 1.136 81 Y HN 0.231 nan 8.280 nan 0.000 0.528 82 D N 7.488 127.695 120.400 -0.321 0.000 2.478 82 D HA 0.007 4.648 4.640 0.001 0.000 0.234 82 D C -1.748 174.327 176.300 -0.375 0.000 1.154 82 D CA -1.427 52.410 54.000 -0.271 0.000 0.874 82 D CB 1.404 42.080 40.800 -0.206 0.000 1.198 82 D HN 0.380 nan 8.370 nan 0.000 0.455 83 P HA -0.043 nan 4.420 nan 0.000 0.218 83 P C 0.727 177.973 177.300 -0.089 0.000 1.152 83 P CA 1.269 64.318 63.100 -0.086 0.000 0.826 83 P CB 0.218 31.921 31.700 0.004 0.000 0.790 84 K N -0.250 120.095 120.400 -0.092 0.000 2.097 84 K HA -0.156 4.165 4.320 0.001 0.000 0.206 84 K C 1.669 178.215 176.600 -0.090 0.000 1.049 84 K CA 1.692 57.936 56.287 -0.071 0.000 0.933 84 K CB -0.616 31.845 32.500 -0.066 0.000 0.717 84 K HN 0.082 nan 8.250 nan 0.000 0.442 85 D N 0.399 120.699 120.400 -0.166 0.000 2.178 85 D HA -0.076 4.565 4.640 0.001 0.000 0.202 85 D C 1.792 178.001 176.300 -0.150 0.000 0.974 85 D CA 1.125 55.016 54.000 -0.181 0.000 0.841 85 D CB -0.059 40.570 40.800 -0.286 0.000 0.953 85 D HN 0.241 nan 8.370 nan 0.000 0.478 86 A N 0.271 122.969 122.820 -0.204 0.000 1.883 86 A HA -0.147 4.173 4.320 0.001 0.000 0.217 86 A C 2.036 179.657 177.584 0.063 0.000 1.186 86 A CA 1.095 53.139 52.037 0.011 0.000 0.624 86 A CB -0.753 18.292 19.000 0.076 0.000 0.822 86 A HN 0.279 nan 8.150 nan 0.000 0.444 87 L N -0.051 121.194 121.223 0.037 0.000 1.973 87 L HA -0.116 4.225 4.340 0.001 0.000 0.208 87 L C 2.319 179.219 176.870 0.051 0.000 1.073 87 L CA 2.772 57.651 54.840 0.065 0.000 0.746 87 L CB -0.789 41.313 42.059 0.073 0.000 0.891 87 L HN 0.462 nan 8.230 nan 0.000 0.433 88 K N -0.406 120.006 120.400 0.021 0.000 2.071 88 K HA -0.297 4.024 4.320 0.001 0.000 0.217 88 K C 2.001 178.620 176.600 0.032 0.000 1.054 88 K CA 2.424 58.721 56.287 0.016 0.000 0.937 88 K CB -0.411 32.085 32.500 -0.006 0.000 0.719 88 K HN 0.567 nan 8.250 nan 0.000 0.454 89 N N -0.668 118.058 118.700 0.043 0.000 2.396 89 N HA -0.091 4.649 4.740 0.001 0.000 0.180 89 N C 1.504 177.053 175.510 0.064 0.000 1.028 89 N CA 0.681 53.769 53.050 0.063 0.000 0.893 89 N CB 0.071 38.618 38.487 0.100 0.000 0.967 89 N HN 0.313 nan 8.380 nan 0.000 0.440 90 A N 0.156 123.017 122.820 0.067 0.000 1.935 90 A HA -0.035 4.286 4.320 0.001 0.000 0.214 90 A C 2.494 180.108 177.584 0.049 0.000 1.178 90 A CA 0.383 52.456 52.037 0.060 0.000 0.640 90 A CB -0.689 18.351 19.000 0.066 0.000 0.825 90 A HN 0.366 nan 8.150 nan 0.000 0.447 91 C N 0.309 119.641 119.300 0.053 0.000 2.413 91 C HA -0.118 4.343 4.460 0.001 0.000 0.276 91 C C 2.618 177.630 174.990 0.037 0.000 1.248 91 C CA 1.441 60.489 59.018 0.050 0.000 1.742 91 C CB -1.331 26.443 27.740 0.057 0.000 2.017 91 C HN 0.659 nan 8.230 nan 0.000 0.481 92 N N 0.479 119.199 118.700 0.033 0.000 2.244 92 N HA -0.098 4.643 4.740 0.001 0.000 0.183 92 N C 1.901 177.426 175.510 0.024 0.000 1.016 92 N CA 1.467 54.533 53.050 0.027 0.000 0.866 92 N CB -0.765 37.738 38.487 0.026 0.000 0.980 92 N HN 0.572 nan 8.380 nan 0.000 0.430 93 S N 0.709 116.425 115.700 0.027 0.000 2.370 93 S HA -0.086 4.385 4.470 0.001 0.000 0.226 93 S C 1.905 176.516 174.600 0.017 0.000 1.033 93 S CA 0.740 58.954 58.200 0.022 0.000 1.011 93 S CB -0.245 62.970 63.200 0.024 0.000 0.852 93 S HN 0.170 nan 8.310 nan 0.000 0.457 94 I N 1.397 121.978 120.570 0.018 0.000 2.090 94 I HA -0.144 4.026 4.170 0.001 0.000 0.236 94 I C 2.326 178.451 176.117 0.012 0.000 1.064 94 I CA 1.514 62.821 61.300 0.012 0.000 1.324 94 I CB -0.511 37.497 38.000 0.012 0.000 1.044 94 I HN 0.311 nan 8.210 nan 0.000 0.399 95 I N 0.753 121.331 120.570 0.015 0.000 2.091 95 I HA -0.439 3.732 4.170 0.001 0.000 0.240 95 I C 2.304 178.428 176.117 0.011 0.000 1.046 95 I CA 1.722 63.030 61.300 0.012 0.000 1.306 95 I CB -0.774 37.234 38.000 0.014 0.000 1.018 95 I HN 0.361 nan 8.210 nan 0.000 0.404 96 N N 0.936 119.644 118.700 0.014 0.000 2.061 96 N HA -0.212 4.529 4.740 0.001 0.000 0.193 96 N C 1.780 177.299 175.510 0.014 0.000 1.030 96 N CA 1.574 54.632 53.050 0.014 0.000 0.856 96 N CB -0.324 38.172 38.487 0.015 0.000 1.023 96 N HN 0.466 nan 8.380 nan 0.000 0.424 97 K N 0.525 120.933 120.400 0.014 0.000 2.217 97 K HA 0.054 4.375 4.320 0.001 0.000 0.202 97 K C 2.126 178.735 176.600 0.016 0.000 1.051 97 K CA 0.351 56.647 56.287 0.015 0.000 0.952 97 K CB 0.043 32.550 32.500 0.012 0.000 0.736 97 K HN 0.143 nan 8.250 nan 0.000 0.453 98 L N -0.215 121.014 121.223 0.011 0.000 2.023 98 L HA -0.068 4.273 4.340 0.001 0.000 0.205 98 L C 2.374 179.248 176.870 0.007 0.000 1.073 98 L CA 1.327 56.171 54.840 0.006 0.000 0.745 98 L CB -0.648 41.410 42.059 -0.001 0.000 0.900 98 L HN 0.304 nan 8.230 nan 0.000 0.435 99 G N -0.981 107.823 108.800 0.007 0.000 2.586 99 G HA2 -0.114 3.847 3.960 0.001 0.000 0.215 99 G HA3 -0.114 3.847 3.960 0.001 0.000 0.215 99 G C 1.554 176.466 174.900 0.019 0.000 1.128 99 G CA 0.753 45.859 45.100 0.009 0.000 0.774 99 G HN 0.477 nan 8.290 nan 0.000 0.543 100 A N 0.160 122.994 122.820 0.024 0.000 1.935 100 A HA 0.279 4.600 4.320 0.001 0.000 0.214 100 A C 2.238 179.851 177.584 0.049 0.000 1.178 100 A CA 0.723 52.779 52.037 0.032 0.000 0.640 100 A CB -0.262 18.755 19.000 0.028 0.000 0.825 100 A HN 0.341 nan 8.150 nan 0.000 0.447 101 L N -0.206 121.047 121.223 0.051 0.000 2.056 101 L HA -0.177 4.164 4.340 0.001 0.000 0.207 101 L C 2.480 179.415 176.870 0.108 0.000 1.078 101 L CA 1.507 56.398 54.840 0.085 0.000 0.749 101 L CB -0.251 41.849 42.059 0.068 0.000 0.901 101 L HN 0.348 nan 8.230 nan 0.000 0.433 102 K N -1.032 119.398 120.400 0.050 0.000 2.044 102 K HA -0.197 4.124 4.320 0.001 0.000 0.210 102 K C 1.908 178.557 176.600 0.082 0.000 1.049 102 K CA 2.071 58.376 56.287 0.030 0.000 0.927 102 K CB -0.533 31.964 32.500 -0.005 0.000 0.713 102 K HN 0.364 nan 8.250 nan 0.000 0.443 103 T N 1.348 115.946 114.554 0.074 0.000 2.701 103 T HA -0.079 4.272 4.350 0.001 0.000 0.263 103 T C 1.604 176.367 174.700 0.105 0.000 1.040 103 T CA 1.556 63.703 62.100 0.077 0.000 1.147 103 T CB -0.345 68.554 68.868 0.052 0.000 0.865 103 T HN 0.204 nan 8.240 nan 0.000 0.426 104 N N 0.793 119.555 118.700 0.103 0.000 2.149 104 N HA -0.017 4.724 4.740 0.001 0.000 0.188 104 N C 1.403 176.988 175.510 0.125 0.000 1.019 104 N CA 0.824 53.930 53.050 0.094 0.000 0.857 104 N CB -0.534 37.996 38.487 0.073 0.000 0.997 104 N HN 0.349 nan 8.380 nan 0.000 0.426 105 F N 1.656 121.632 119.950 0.043 0.000 2.051 105 F HA -0.141 4.387 4.527 0.002 0.000 0.296 105 F C 2.188 178.060 175.800 0.120 0.000 1.122 105 F CA 1.473 59.512 58.000 0.065 0.000 1.201 105 F CB -0.075 38.938 39.000 0.021 0.000 0.978 105 F HN 0.045 nan 8.300 nan 0.000 0.472 106 E N -0.738 119.709 120.200 0.413 0.000 2.118 106 E HA -0.201 4.150 4.350 0.001 0.000 0.195 106 E C 1.994 178.744 176.600 0.251 0.000 0.992 106 E CA 1.794 58.400 56.400 0.344 0.000 0.804 106 E CB -0.273 29.551 29.700 0.206 0.000 0.741 106 E HN 0.436 nan 8.360 nan 0.000 0.458 107 T N 0.978 115.626 114.554 0.157 0.000 2.788 107 T HA -0.125 4.225 4.350 0.001 0.000 0.268 107 T C 1.594 176.332 174.700 0.063 0.000 1.044 107 T CA 0.935 63.091 62.100 0.093 0.000 1.139 107 T CB -0.030 68.875 68.868 0.061 0.000 0.867 107 T HN 0.105 nan 8.240 nan 0.000 0.454 108 E N -0.130 120.097 120.200 0.044 0.000 2.122 108 E HA -0.031 4.320 4.350 0.001 0.000 0.190 108 E C 1.892 178.488 176.600 -0.008 0.000 0.977 108 E CA 0.224 56.611 56.400 -0.022 0.000 0.820 108 E CB -0.206 29.438 29.700 -0.094 0.000 0.770 108 E HN 0.625 nan 8.360 nan 0.000 0.462 109 W N 2.720 123.954 121.300 -0.109 0.000 2.333 109 W HA -0.218 4.443 4.660 0.002 0.000 0.316 109 W C 1.290 177.812 176.519 0.004 0.000 1.215 109 W CA 1.364 58.687 57.345 -0.037 0.000 1.278 109 W CB -0.383 29.160 29.460 0.137 0.000 1.154 109 W HN 0.040 nan 8.180 nan 0.000 0.486 110 N N 1.153 119.901 118.700 0.079 0.000 2.258 110 N HA -0.191 4.549 4.740 0.001 0.000 0.187 110 N C 1.685 177.111 175.510 -0.140 0.000 1.012 110 N CA 1.796 54.830 53.050 -0.027 0.000 0.870 110 N CB -0.875 37.668 38.487 0.095 0.000 0.977 110 N HN 0.324 nan 8.380 nan 0.000 0.434 111 L N 0.400 121.548 121.223 -0.126 0.000 2.591 111 L HA 0.054 4.395 4.340 0.001 0.000 0.228 111 L C 0.307 177.070 176.870 -0.178 0.000 1.133 111 L CA 0.245 55.012 54.840 -0.122 0.000 0.880 111 L CB 0.040 42.054 42.059 -0.075 0.000 1.033 111 L HN -0.004 nan 8.230 nan 0.000 0.450 112 Q N 0.306 119.928 119.800 -0.296 0.000 2.230 112 Q HA 0.348 4.688 4.340 0.001 0.000 0.253 112 Q C -0.156 175.636 176.000 -0.346 0.000 0.919 112 Q CA -0.102 55.507 55.803 -0.324 0.000 0.908 112 Q CB 1.750 30.246 28.738 -0.404 0.000 1.245 112 Q HN 0.007 nan 8.270 nan 0.000 0.437 113 T N 1.384 115.797 114.554 -0.235 0.000 2.918 113 T HA 0.524 4.875 4.350 0.001 0.000 0.283 113 T C 0.282 174.872 174.700 -0.183 0.000 1.001 113 T CA -0.571 61.418 62.100 -0.185 0.000 1.041 113 T CB 0.638 69.437 68.868 -0.115 0.000 1.028 113 T HN 0.501 nan 8.240 nan 0.000 0.511 114 L N 0.000 121.142 121.223 -0.134 0.000 2.949 114 L HA 0.000 4.341 4.340 0.001 0.000 0.249 114 L CA 0.000 54.787 54.840 -0.089 0.000 0.813 114 L CB 0.000 42.026 42.059 -0.054 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502