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 3gtl_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 0.000 176.294 176.300 -0.010 0.000 1.140 1 M CA 0.000 55.295 55.300 -0.008 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.003 0.000 1.302 2 N N 1.715 120.407 118.700 -0.013 0.000 2.409 2 N HA 0.113 4.854 4.740 0.001 0.000 0.179 2 N C 0.757 176.248 175.510 -0.032 0.000 1.032 2 N CA 0.725 53.767 53.050 -0.013 0.000 0.898 2 N CB 0.250 38.733 38.487 -0.006 0.000 0.971 2 N HN 0.420 nan 8.380 nan 0.000 0.441 3 A N 2.934 125.725 122.820 -0.048 0.000 2.584 3 A HA 0.103 4.423 4.320 0.001 0.000 0.239 3 A C -1.992 175.544 177.584 -0.079 0.000 1.043 3 A CA -0.436 51.555 52.037 -0.077 0.000 0.756 3 A CB -0.234 18.724 19.000 -0.070 0.000 0.963 3 A HN 0.096 nan 8.150 nan 0.000 0.511 4 P HA 0.414 nan 4.420 nan 0.000 0.301 4 P C -1.166 176.026 177.300 -0.179 0.000 1.348 4 P CA -0.648 62.374 63.100 -0.130 0.000 0.826 4 P CB 0.945 32.579 31.700 -0.110 0.000 0.945 5 D N 2.365 122.631 120.400 -0.223 0.000 2.515 5 D HA -0.044 4.596 4.640 0.001 0.000 0.232 5 D C 1.669 177.784 176.300 -0.307 0.000 1.157 5 D CA -0.025 53.845 54.000 -0.217 0.000 0.871 5 D CB 0.638 41.324 40.800 -0.190 0.000 1.200 5 D HN 0.175 nan 8.370 nan 0.000 0.466 6 R N 1.712 122.148 120.500 -0.107 0.000 2.096 6 R HA -0.178 4.162 4.340 0.001 0.000 0.240 6 R C 2.246 178.449 176.300 -0.162 0.000 1.139 6 R CA 1.245 57.321 56.100 -0.040 0.000 0.952 6 R CB -1.027 29.343 30.300 0.118 0.000 0.854 6 R HN 0.739 nan 8.270 nan 0.000 0.436 7 F N 1.765 121.610 119.950 -0.175 0.000 2.287 7 F HA -0.111 4.415 4.527 -0.001 0.000 0.301 7 F C 1.305 176.677 175.800 -0.713 0.000 1.069 7 F CA 0.913 58.515 58.000 -0.662 0.000 1.372 7 F CB -0.797 37.949 39.000 -0.423 0.000 1.056 7 F HN -0.015 nan 8.300 nan 0.000 0.523 8 E N 0.711 120.343 120.200 -0.946 0.000 2.533 8 E HA -0.063 4.287 4.350 0.001 0.000 0.203 8 E C 1.587 178.023 176.600 -0.274 0.000 1.101 8 E CA 0.313 56.361 56.400 -0.585 0.000 0.894 8 E CB -0.321 29.065 29.700 -0.522 0.000 0.843 8 E HN 0.602 nan 8.360 nan 0.000 0.552 9 L N -0.782 120.281 121.223 -0.267 0.000 2.616 9 L HA 0.123 4.463 4.340 0.001 0.000 0.229 9 L C 0.996 177.976 176.870 0.183 0.000 1.110 9 L CA 0.108 54.961 54.840 0.021 0.000 0.884 9 L CB 0.225 42.395 42.059 0.186 0.000 1.115 9 L HN 0.249 nan 8.230 nan 0.000 0.481 10 F N -4.056 115.944 119.950 0.083 0.000 2.828 10 F HA 0.340 4.868 4.527 0.002 0.000 0.368 10 F C 0.110 175.972 175.800 0.104 0.000 0.877 10 F CA -0.770 57.281 58.000 0.085 0.000 1.071 10 F CB 0.092 39.134 39.000 0.069 0.000 1.006 10 F HN -0.306 nan 8.300 nan 0.000 0.598 11 L N 2.808 123.944 121.223 -0.145 0.000 2.350 11 L HA 0.471 4.811 4.340 0.001 0.000 0.275 11 L C -0.468 176.421 176.870 0.033 0.000 1.099 11 L CA -0.496 54.348 54.840 0.006 0.000 0.808 11 L CB 1.162 43.237 42.059 0.026 0.000 1.149 11 L HN 0.038 nan 8.230 nan 0.000 0.442 12 L N 2.350 123.605 121.223 0.052 0.000 2.292 12 L HA 0.500 4.840 4.340 0.001 0.000 0.284 12 L C 1.030 177.925 176.870 0.041 0.000 1.065 12 L CA 0.343 55.208 54.840 0.040 0.000 0.806 12 L CB 0.937 43.019 42.059 0.038 0.000 1.175 12 L HN 0.710 nan 8.230 nan 0.000 0.431 13 G N 2.154 110.971 108.800 0.028 0.000 2.597 13 G HA2 0.106 4.066 3.960 0.001 0.000 0.194 13 G HA3 0.106 4.066 3.960 0.001 0.000 0.194 13 G C -0.201 174.709 174.900 0.017 0.000 1.625 13 G CA -0.243 44.875 45.100 0.031 0.000 1.050 13 G HN 0.581 nan 8.290 nan 0.000 0.531 14 E N -1.347 118.856 120.200 0.005 0.000 2.222 14 E HA 0.448 4.798 4.350 0.001 0.000 0.267 14 E C 0.882 177.475 176.600 -0.010 0.000 0.963 14 E CA -0.028 56.371 56.400 -0.001 0.000 0.837 14 E CB 1.404 31.103 29.700 -0.001 0.000 1.183 14 E HN 0.728 nan 8.360 nan 0.000 0.403 15 G N 1.873 110.667 108.800 -0.011 0.000 2.230 15 G HA2 -0.365 3.596 3.960 0.001 0.000 0.270 15 G HA3 -0.365 3.596 3.960 0.001 0.000 0.270 15 G C -0.003 174.886 174.900 -0.019 0.000 0.987 15 G CA 0.957 46.047 45.100 -0.016 0.000 0.664 15 G HN 0.528 nan 8.290 nan 0.000 0.539 16 E N 0.910 121.100 120.200 -0.016 0.000 2.167 16 E HA 0.508 4.858 4.350 0.001 0.000 0.284 16 E C 0.288 176.880 176.600 -0.013 0.000 1.016 16 E CA -0.256 56.133 56.400 -0.018 0.000 0.817 16 E CB 0.923 30.613 29.700 -0.016 0.000 1.080 16 E HN 0.244 nan 8.360 nan 0.000 0.397 17 S N 2.565 118.251 115.700 -0.023 0.000 2.645 17 S HA 0.097 4.567 4.470 0.001 0.000 0.266 17 S C 1.046 175.634 174.600 -0.020 0.000 1.258 17 S CA -0.760 57.424 58.200 -0.027 0.000 0.990 17 S CB 1.224 64.396 63.200 -0.047 0.000 0.967 17 S HN 0.459 nan 8.310 nan 0.000 0.556 18 K N 0.316 120.703 120.400 -0.022 0.000 1.980 18 K HA 0.149 4.470 4.320 0.001 0.000 0.208 18 K C 0.188 176.740 176.600 -0.079 0.000 1.043 18 K CA 1.083 57.364 56.287 -0.011 0.000 0.938 18 K CB -0.247 32.256 32.500 0.004 0.000 0.724 18 K HN 0.510 nan 8.250 nan 0.000 0.438 19 L N 2.265 123.404 121.223 -0.140 0.000 2.296 19 L HA 0.335 4.675 4.340 0.001 0.000 0.286 19 L C 0.057 176.820 176.870 -0.179 0.000 1.023 19 L CA -0.488 54.199 54.840 -0.256 0.000 0.812 19 L CB 1.736 43.594 42.059 -0.335 0.000 1.223 19 L HN 0.029 nan 8.230 nan 0.000 0.421 20 K N 3.898 124.189 120.400 -0.182 0.000 2.221 20 K HA 0.568 4.888 4.320 0.001 0.000 0.258 20 K C -1.423 175.088 176.600 -0.148 0.000 0.944 20 K CA -0.647 55.562 56.287 -0.130 0.000 0.823 20 K CB 2.396 34.842 32.500 -0.089 0.000 1.113 20 K HN 0.529 nan 8.250 nan 0.000 0.431 21 I N 3.263 123.764 120.570 -0.114 0.000 2.465 21 I HA 0.304 4.474 4.170 0.001 0.000 0.291 21 I C -1.381 174.697 176.117 -0.065 0.000 1.014 21 I CA -0.397 60.842 61.300 -0.102 0.000 1.093 21 I CB 1.383 39.319 38.000 -0.105 0.000 1.267 21 I HN 0.579 nan 8.210 nan 0.000 0.431 22 D N 8.417 128.786 120.400 -0.052 0.000 2.738 22 D HA 0.410 5.050 4.640 0.001 0.000 0.237 22 D C -2.694 173.592 176.300 -0.024 0.000 1.123 22 D CA -1.104 52.875 54.000 -0.034 0.000 0.856 22 D CB 2.424 43.206 40.800 -0.029 0.000 1.552 22 D HN 0.190 nan 8.370 nan 0.000 0.480 23 P HA 0.137 nan 4.420 nan 0.000 0.280 23 P C -0.327 176.965 177.300 -0.013 0.000 1.244 23 P CA -0.332 62.758 63.100 -0.017 0.000 0.784 23 P CB 1.078 32.767 31.700 -0.017 0.000 0.913 24 D N 1.259 121.653 120.400 -0.011 0.000 2.345 24 D HA 0.061 4.701 4.640 0.001 0.000 0.247 24 D C 0.843 177.130 176.300 -0.021 0.000 1.108 24 D CA 0.297 54.288 54.000 -0.015 0.000 0.894 24 D CB 1.154 41.943 40.800 -0.019 0.000 1.203 24 D HN 0.343 nan 8.370 nan 0.000 0.430 25 T N 0.553 115.093 114.554 -0.023 0.000 3.037 25 T HA 0.031 4.382 4.350 0.001 0.000 0.252 25 T C 1.522 176.205 174.700 -0.029 0.000 1.073 25 T CA 0.032 62.118 62.100 -0.023 0.000 1.091 25 T CB 0.402 69.259 68.868 -0.019 0.000 0.935 25 T HN 0.223 nan 8.240 nan 0.000 0.488 26 K N 2.181 122.557 120.400 -0.039 0.000 2.031 26 K HA 0.337 4.657 4.320 0.001 0.000 0.205 26 K C 1.275 177.841 176.600 -0.057 0.000 1.049 26 K CA 0.883 57.140 56.287 -0.050 0.000 0.939 26 K CB -0.421 32.040 32.500 -0.066 0.000 0.717 26 K HN 0.535 nan 8.250 nan 0.000 0.438 27 A N 2.169 124.951 122.820 -0.065 0.000 2.322 27 A HA 0.574 4.895 4.320 0.001 0.000 0.327 27 A C -2.561 175.002 177.584 -0.036 0.000 1.134 27 A CA -1.495 50.505 52.037 -0.062 0.000 0.831 27 A CB 0.807 19.750 19.000 -0.096 0.000 1.288 27 A HN -0.065 nan 8.150 nan 0.000 0.472 28 P HA 0.306 nan 4.420 nan 0.000 0.288 28 P C -0.114 177.184 177.300 -0.004 0.000 1.267 28 P CA -0.384 62.708 63.100 -0.012 0.000 0.815 28 P CB 0.766 32.462 31.700 -0.006 0.000 0.989 29 N N -0.058 118.641 118.700 -0.002 0.000 2.776 29 N HA -0.179 4.561 4.740 0.001 0.000 0.250 29 N C -1.065 174.447 175.510 0.003 0.000 1.112 29 N CA 0.765 53.816 53.050 0.003 0.000 0.733 29 N CB -1.074 37.422 38.487 0.016 0.000 1.097 29 N HN 0.610 nan 8.380 nan 0.000 0.558 30 A N -0.181 122.638 122.820 -0.000 0.000 2.380 30 A HA 0.807 5.128 4.320 0.001 0.000 0.315 30 A C -0.331 177.258 177.584 0.009 0.000 1.101 30 A CA -0.369 51.675 52.037 0.012 0.000 0.771 30 A CB 2.444 21.444 19.000 0.001 0.000 1.287 30 A HN 0.118 nan 8.150 nan 0.000 0.436 31 V N 0.999 120.929 119.914 0.028 0.000 2.888 31 V HA 0.548 4.668 4.120 0.001 0.000 0.309 31 V C -0.988 175.131 176.094 0.042 0.000 1.114 31 V CA -0.554 61.755 62.300 0.016 0.000 0.940 31 V CB 2.015 33.833 31.823 -0.008 0.000 1.021 31 V HN 0.974 nan 8.190 nan 0.000 0.426 32 V N 6.765 126.694 119.914 0.024 0.000 2.304 32 V HA 0.588 4.708 4.120 0.001 0.000 0.278 32 V C -0.473 175.616 176.094 -0.008 0.000 1.018 32 V CA -0.207 62.113 62.300 0.033 0.000 0.814 32 V CB 0.999 32.844 31.823 0.037 0.000 1.021 32 V HN 0.700 nan 8.190 nan 0.000 0.440 33 I N 5.639 126.200 120.570 -0.015 0.000 2.365 33 I HA 0.418 4.588 4.170 0.001 0.000 0.291 33 I C 0.752 176.801 176.117 -0.113 0.000 1.004 33 I CA 0.019 61.250 61.300 -0.116 0.000 1.311 33 I CB 1.605 39.481 38.000 -0.208 0.000 1.401 33 I HN 0.402 nan 8.210 nan 0.000 0.491 34 T N 5.488 119.937 114.554 -0.175 0.000 2.909 34 T HA 0.498 4.848 4.350 0.001 0.000 0.289 34 T C -0.640 173.905 174.700 -0.259 0.000 1.005 34 T CA 0.034 62.063 62.100 -0.118 0.000 1.084 34 T CB 0.424 69.250 68.868 -0.070 0.000 0.975 34 T HN 0.164 nan 8.240 nan 0.000 0.509 35 F N 1.982 121.799 119.950 -0.221 0.000 2.553 35 F HA 0.329 4.856 4.527 0.000 0.000 0.335 35 F C 0.643 176.501 175.800 0.097 0.000 1.148 35 F CA -1.127 56.841 58.000 -0.053 0.000 0.963 35 F CB 1.185 40.198 39.000 0.022 0.000 1.217 35 F HN 0.393 nan 8.300 nan 0.000 0.441 36 E N 2.899 123.220 120.200 0.202 0.000 2.410 36 E HA 0.090 4.440 4.350 0.001 0.000 0.255 36 E C 0.168 176.906 176.600 0.231 0.000 1.194 36 E CA -0.254 56.254 56.400 0.179 0.000 0.955 36 E CB 0.409 30.162 29.700 0.087 0.000 0.988 36 E HN 0.339 nan 8.360 nan 0.000 0.461 37 K N 1.313 121.820 120.400 0.179 0.000 3.679 37 K HA -0.219 4.102 4.320 0.001 0.000 0.274 37 K C -0.019 176.698 176.600 0.194 0.000 0.839 37 K CA 1.043 57.430 56.287 0.167 0.000 0.663 37 K CB -1.073 31.508 32.500 0.134 0.000 1.638 37 K HN 0.385 nan 8.250 nan 0.000 0.443 38 E N 0.276 120.605 120.200 0.214 0.000 2.433 38 E HA 0.543 4.894 4.350 0.001 0.000 0.264 38 E C -0.092 176.456 176.600 -0.088 0.000 0.960 38 E CA -0.378 56.086 56.400 0.106 0.000 0.866 38 E CB 1.468 31.328 29.700 0.267 0.000 1.615 38 E HN 0.311 nan 8.360 nan 0.000 0.442 39 D N -2.154 117.942 120.400 -0.506 0.000 3.235 39 D HA 0.078 4.718 4.640 0.001 0.000 0.360 39 D C 0.824 176.621 176.300 -0.838 0.000 1.465 39 D CA -0.345 53.267 54.000 -0.647 0.000 0.874 39 D CB -0.280 40.285 40.800 -0.392 0.000 1.465 39 D HN 0.298 nan 8.370 nan 0.000 0.533 40 H N -0.089 118.761 119.070 -0.366 0.000 2.319 40 H HA -0.072 4.485 4.556 0.001 0.000 0.297 40 H C 1.582 176.704 175.328 -0.343 0.000 1.097 40 H CA 2.401 58.271 56.048 -0.295 0.000 1.285 40 H CB -1.058 28.672 29.762 -0.054 0.000 1.368 40 H HN 0.506 nan 8.280 nan 0.000 0.495 41 T N 1.078 115.552 114.554 -0.134 0.000 2.760 41 T HA -0.157 4.194 4.350 0.001 0.000 0.269 41 T C 2.261 176.837 174.700 -0.207 0.000 1.047 41 T CA 1.534 63.551 62.100 -0.139 0.000 1.139 41 T CB -0.217 68.585 68.868 -0.109 0.000 0.855 41 T HN 0.194 nan 8.240 nan 0.000 0.471 42 L N -0.753 120.267 121.223 -0.338 0.000 2.488 42 L HA 0.379 4.719 4.340 0.001 0.000 0.186 42 L C 2.605 179.184 176.870 -0.486 0.000 1.124 42 L CA 0.896 55.530 54.840 -0.344 0.000 0.838 42 L CB -0.853 41.033 42.059 -0.289 0.000 1.107 42 L HN 0.255 nan 8.230 nan 0.000 0.494 43 G N 0.343 108.591 108.800 -0.920 0.000 2.777 43 G HA2 -0.490 3.471 3.960 0.001 0.000 0.217 43 G HA3 -0.490 3.471 3.960 0.001 0.000 0.217 43 G C 1.218 175.567 174.900 -0.918 0.000 1.295 43 G CA 1.378 45.898 45.100 -0.967 0.000 0.800 43 G HN 0.529 nan 8.290 nan 0.000 0.637 44 N N 0.097 118.004 118.700 -1.321 0.000 2.182 44 N HA -0.214 4.526 4.740 0.001 0.000 0.200 44 N C 2.012 177.359 175.510 -0.270 0.000 0.989 44 N CA 2.087 54.776 53.050 -0.602 0.000 0.907 44 N CB -0.464 37.895 38.487 -0.212 0.000 1.048 44 N HN 0.279 nan 8.380 nan 0.000 0.494 45 L N 0.434 121.505 121.223 -0.254 0.000 2.005 45 L HA 0.099 4.440 4.340 0.001 0.000 0.207 45 L C 2.202 179.004 176.870 -0.115 0.000 1.072 45 L CA 1.394 56.147 54.840 -0.145 0.000 0.744 45 L CB -1.053 40.931 42.059 -0.126 0.000 0.895 45 L HN 0.358 nan 8.230 nan 0.000 0.433 46 I N -0.621 119.867 120.570 -0.136 0.000 2.163 46 I HA -0.351 3.819 4.170 0.001 0.000 0.243 46 I C 2.782 178.873 176.117 -0.043 0.000 1.085 46 I CA 1.479 62.739 61.300 -0.066 0.000 1.347 46 I CB -0.379 37.592 38.000 -0.049 0.000 1.044 46 I HN 0.334 nan 8.210 nan 0.000 0.408 47 R N 1.025 121.485 120.500 -0.067 0.000 2.080 47 R HA -0.221 4.120 4.340 0.001 0.000 0.236 47 R C 2.263 178.558 176.300 -0.008 0.000 1.137 47 R CA 2.013 58.108 56.100 -0.008 0.000 0.943 47 R CB -0.338 30.011 30.300 0.081 0.000 0.846 47 R HN 0.391 nan 8.270 nan 0.000 0.431 48 A N 0.621 123.431 122.820 -0.016 0.000 2.066 48 A HA -0.079 4.241 4.320 0.001 0.000 0.218 48 A C 1.754 179.334 177.584 -0.007 0.000 1.157 48 A CA 1.019 53.051 52.037 -0.008 0.000 0.670 48 A CB -0.138 18.856 19.000 -0.010 0.000 0.804 48 A HN 0.368 nan 8.150 nan 0.000 0.453 49 E N -0.730 119.464 120.200 -0.010 0.000 2.299 49 E HA 0.048 4.399 4.350 0.001 0.000 0.193 49 E C 1.550 178.160 176.600 0.017 0.000 0.998 49 E CA 0.245 56.646 56.400 0.002 0.000 0.851 49 E CB 0.023 29.722 29.700 -0.001 0.000 0.795 49 E HN 0.629 nan 8.360 nan 0.000 0.492 50 L N 0.629 121.861 121.223 0.016 0.000 2.558 50 L HA -0.010 4.331 4.340 0.001 0.000 0.225 50 L C 1.433 178.318 176.870 0.026 0.000 1.128 50 L CA 0.048 54.905 54.840 0.029 0.000 0.868 50 L CB 0.291 42.364 42.059 0.023 0.000 1.006 50 L HN 0.056 nan 8.230 nan 0.000 0.454 51 L N -0.637 120.594 121.223 0.013 0.000 2.585 51 L HA 0.081 4.421 4.340 0.001 0.000 0.226 51 L C 1.887 178.769 176.870 0.020 0.000 1.113 51 L CA 0.765 55.612 54.840 0.011 0.000 0.876 51 L CB -0.933 41.123 42.059 -0.005 0.000 1.072 51 L HN 0.272 nan 8.230 nan 0.000 0.468 52 N N -0.236 118.478 118.700 0.023 0.000 2.171 52 N HA -0.121 4.620 4.740 0.001 0.000 0.184 52 N C 0.733 176.263 175.510 0.032 0.000 1.021 52 N CA 0.491 53.556 53.050 0.024 0.000 0.854 52 N CB 0.045 38.543 38.487 0.020 0.000 0.994 52 N HN 0.342 nan 8.380 nan 0.000 0.426 53 D N 1.418 121.847 120.400 0.048 0.000 2.472 53 D HA -0.050 4.590 4.640 0.001 0.000 0.248 53 D C 0.869 177.206 176.300 0.061 0.000 1.174 53 D CA 0.148 54.186 54.000 0.063 0.000 0.883 53 D CB 0.787 41.655 40.800 0.114 0.000 1.149 53 D HN 0.107 nan 8.370 nan 0.000 0.488 54 R N 2.744 123.266 120.500 0.037 0.000 2.148 54 R HA -0.059 4.281 4.340 0.001 0.000 0.227 54 R C 1.228 177.557 176.300 0.048 0.000 1.103 54 R CA 0.762 56.882 56.100 0.033 0.000 0.983 54 R CB 0.224 30.532 30.300 0.012 0.000 0.874 54 R HN 0.344 nan 8.270 nan 0.000 0.451 55 K N 0.988 121.421 120.400 0.055 0.000 2.627 55 K HA 0.122 4.442 4.320 0.001 0.000 0.212 55 K C -0.529 176.196 176.600 0.208 0.000 1.041 55 K CA 0.240 56.579 56.287 0.087 0.000 1.205 55 K CB 0.595 33.068 32.500 -0.045 0.000 0.936 55 K HN -0.029 nan 8.250 nan 0.000 0.489 56 V N 1.960 121.970 119.914 0.159 0.000 2.407 56 V HA 0.168 4.289 4.120 0.001 0.000 0.291 56 V C 1.353 177.519 176.094 0.119 0.000 1.018 56 V CA -0.512 61.880 62.300 0.153 0.000 0.842 56 V CB 1.501 33.406 31.823 0.136 0.000 0.996 56 V HN 0.123 nan 8.190 nan 0.000 0.426 57 L N 3.442 124.747 121.223 0.135 0.000 2.007 57 L HA 0.171 4.511 4.340 0.001 0.000 0.205 57 L C 0.598 177.593 176.870 0.208 0.000 1.073 57 L CA 1.845 56.774 54.840 0.147 0.000 0.744 57 L CB -0.071 42.073 42.059 0.140 0.000 0.898 57 L HN 0.521 nan 8.230 nan 0.000 0.435 58 F N -0.047 119.927 119.950 0.040 0.000 2.551 58 F HA 0.690 5.217 4.527 0.000 0.000 0.316 58 F C -0.771 175.057 175.800 0.046 0.000 1.089 58 F CA -1.018 57.005 58.000 0.038 0.000 0.915 58 F CB 1.653 40.671 39.000 0.030 0.000 1.186 58 F HN -0.165 nan 8.300 nan 0.000 0.456 59 A N 4.201 126.578 122.820 -0.738 0.000 2.466 59 A HA 0.875 5.196 4.320 0.001 0.000 0.284 59 A C -1.800 175.436 177.584 -0.579 0.000 1.049 59 A CA 0.045 51.791 52.037 -0.485 0.000 0.760 59 A CB 0.723 19.620 19.000 -0.171 0.000 1.274 59 A HN 1.643 nan 8.150 nan 0.000 0.412 60 A N 1.683 124.272 122.820 -0.384 0.000 2.547 60 A HA 0.846 5.166 4.320 0.001 0.000 0.297 60 A C -1.192 176.463 177.584 0.118 0.000 1.056 60 A CA -0.447 51.492 52.037 -0.163 0.000 0.688 60 A CB 0.964 19.815 19.000 -0.248 0.000 1.282 60 A HN 2.059 nan 8.150 nan 0.000 0.400 61 Y N 0.625 120.948 120.300 0.037 0.000 2.545 61 Y HA 0.836 5.386 4.550 0.000 0.000 0.348 61 Y C -0.640 175.365 175.900 0.174 0.000 1.002 61 Y CA -0.955 57.230 58.100 0.143 0.000 1.039 61 Y CB 1.875 40.499 38.460 0.275 0.000 1.271 61 Y HN 0.753 nan 8.280 nan 0.000 0.467 62 K N 2.441 122.928 120.400 0.145 0.000 2.501 62 K HA 0.619 4.939 4.320 0.001 0.000 0.252 62 K C -1.674 175.079 176.600 0.254 0.000 0.934 62 K CA -1.021 55.289 56.287 0.039 0.000 0.797 62 K CB 2.655 35.184 32.500 0.049 0.000 1.270 62 K HN 0.842 nan 8.250 nan 0.000 0.431 63 V N 0.144 120.197 119.914 0.233 0.000 2.320 63 V HA 0.240 4.361 4.120 0.001 0.000 0.265 63 V C 0.871 177.064 176.094 0.165 0.000 1.048 63 V CA -0.395 62.042 62.300 0.228 0.000 0.865 63 V CB 0.620 32.520 31.823 0.128 0.000 1.043 63 V HN 0.967 nan 8.190 nan 0.000 0.474 64 E N 2.099 122.410 120.200 0.186 0.000 2.265 64 E HA -0.099 4.252 4.350 0.001 0.000 0.196 64 E C 0.087 176.801 176.600 0.189 0.000 0.996 64 E CA 1.360 57.857 56.400 0.163 0.000 0.832 64 E CB 0.079 29.879 29.700 0.166 0.000 0.756 64 E HN 0.966 nan 8.360 nan 0.000 0.491 65 H N -2.068 117.039 119.070 0.062 0.000 3.159 65 H HA 0.041 4.597 4.556 0.000 0.000 0.313 65 H C -2.254 173.059 175.328 -0.025 0.000 1.071 65 H CA -1.059 54.961 56.048 -0.047 0.000 1.451 65 H CB 1.358 31.056 29.762 -0.107 0.000 2.075 65 H HN -0.214 nan 8.280 nan 0.000 0.443 66 P HA -0.183 nan 4.420 nan 0.000 0.221 66 P C 1.054 178.470 177.300 0.194 0.000 1.141 66 P CA 1.344 64.432 63.100 -0.020 0.000 0.794 66 P CB 0.043 31.691 31.700 -0.087 0.000 0.764 67 F N -1.823 118.044 119.950 -0.138 0.000 2.512 67 F HA 0.093 4.621 4.527 0.001 0.000 0.296 67 F C 1.404 177.090 175.800 -0.190 0.000 1.110 67 F CA -0.178 57.677 58.000 -0.242 0.000 1.446 67 F CB 0.015 38.709 39.000 -0.510 0.000 1.092 67 F HN -0.215 nan 8.300 nan 0.000 0.554 68 F N -0.742 119.426 119.950 0.363 0.000 2.483 68 F HA 0.547 5.074 4.527 -0.000 0.000 0.329 68 F C 0.413 176.295 175.800 0.137 0.000 1.064 68 F CA -1.350 56.765 58.000 0.192 0.000 0.986 68 F CB 1.231 40.330 39.000 0.165 0.000 1.218 68 F HN -0.399 nan 8.300 nan 0.000 0.484 69 A N 2.852 125.854 122.820 0.304 0.000 3.293 69 A HA 0.357 4.678 4.320 0.001 0.000 0.282 69 A C 0.305 178.024 177.584 0.226 0.000 1.394 69 A CA -0.603 51.552 52.037 0.197 0.000 1.118 69 A CB -0.563 18.523 19.000 0.144 0.000 1.133 69 A HN 0.873 nan 8.150 nan 0.000 0.627 70 R N -0.510 120.154 120.500 0.273 0.000 2.942 70 R HA 0.921 5.262 4.340 0.001 0.000 0.212 70 R C -0.308 176.282 176.300 0.485 0.000 1.562 70 R CA -0.213 56.077 56.100 0.316 0.000 0.941 70 R CB 0.455 30.896 30.300 0.235 0.000 2.365 70 R HN 0.925 nan 8.270 nan 0.000 0.524 71 F N -2.534 117.517 119.950 0.168 0.000 2.680 71 F HA 0.268 4.795 4.527 -0.000 0.000 0.323 71 F C -2.398 173.548 175.800 0.243 0.000 1.093 71 F CA -1.245 56.863 58.000 0.180 0.000 0.857 71 F CB 0.595 39.682 39.000 0.145 0.000 1.839 71 F HN 0.443 nan 8.300 nan 0.000 0.476 72 K N 3.776 124.172 120.400 -0.007 0.000 2.324 72 K HA 0.751 5.072 4.320 0.001 0.000 0.253 72 K C -1.813 174.773 176.600 -0.023 0.000 0.932 72 K CA -1.191 55.058 56.287 -0.063 0.000 0.799 72 K CB 2.684 35.212 32.500 0.046 0.000 1.154 72 K HN 0.638 nan 8.250 nan 0.000 0.425 73 L N 2.703 123.925 121.223 -0.002 0.000 2.313 73 L HA 0.404 4.744 4.340 0.001 0.000 0.283 73 L C -0.702 176.244 176.870 0.127 0.000 1.013 73 L CA -0.258 54.643 54.840 0.102 0.000 0.816 73 L CB 1.192 43.339 42.059 0.147 0.000 1.236 73 L HN 0.539 nan 8.230 nan 0.000 0.419 74 R N 5.717 126.313 120.500 0.159 0.000 2.393 74 R HA 0.695 5.035 4.340 0.001 0.000 0.315 74 R C -1.614 174.839 176.300 0.256 0.000 0.952 74 R CA -0.529 55.702 56.100 0.218 0.000 0.842 74 R CB 0.961 31.448 30.300 0.311 0.000 1.163 74 R HN 0.706 nan 8.270 nan 0.000 0.450 75 I N 3.302 123.995 120.570 0.205 0.000 2.498 75 I HA 0.286 4.456 4.170 0.001 0.000 0.290 75 I C -0.592 175.630 176.117 0.176 0.000 1.032 75 I CA -0.718 60.684 61.300 0.171 0.000 1.073 75 I CB 2.277 40.317 38.000 0.067 0.000 1.251 75 I HN 0.518 nan 8.210 nan 0.000 0.426 76 Q N 4.611 124.550 119.800 0.232 0.000 2.337 76 Q HA 0.708 5.048 4.340 0.001 0.000 0.266 76 Q C -1.163 174.907 176.000 0.117 0.000 1.023 76 Q CA -0.545 55.349 55.803 0.152 0.000 0.829 76 Q CB 2.249 31.083 28.738 0.161 0.000 1.306 76 Q HN 0.797 nan 8.270 nan 0.000 0.449 77 T N -0.628 113.970 114.554 0.073 0.000 2.865 77 T HA 0.436 4.786 4.350 0.001 0.000 0.294 77 T C -0.091 174.682 174.700 0.122 0.000 1.119 77 T CA -0.781 61.378 62.100 0.098 0.000 1.007 77 T CB 1.441 70.307 68.868 -0.003 0.000 1.225 77 T HN 0.454 nan 8.240 nan 0.000 0.515 78 T N 1.729 116.395 114.554 0.186 0.000 2.906 78 T HA 0.105 4.455 4.350 0.001 0.000 0.320 78 T C 0.484 175.261 174.700 0.129 0.000 1.088 78 T CA 0.035 62.221 62.100 0.143 0.000 1.120 78 T CB 0.068 69.018 68.868 0.136 0.000 1.000 78 T HN 0.712 nan 8.240 nan 0.000 0.550 79 E N 0.461 120.711 120.200 0.084 0.000 2.765 79 E HA 0.100 4.450 4.350 0.001 0.000 0.256 79 E C 1.351 178.002 176.600 0.087 0.000 0.935 79 E CA 1.133 57.574 56.400 0.068 0.000 0.954 79 E CB -0.300 29.428 29.700 0.046 0.000 0.908 79 E HN 0.891 nan 8.360 nan 0.000 0.500 80 G N 3.914 112.764 108.800 0.084 0.000 2.383 80 G HA2 -0.364 3.596 3.960 0.001 0.000 0.229 80 G HA3 -0.364 3.596 3.960 0.001 0.000 0.229 80 G C -0.011 174.979 174.900 0.150 0.000 1.089 80 G CA 0.207 45.362 45.100 0.092 0.000 0.640 80 G HN 0.689 nan 8.290 nan 0.000 0.510 81 Y N 3.074 123.384 120.300 0.017 0.000 2.674 81 Y HA 0.422 4.972 4.550 0.001 0.000 0.354 81 Y C 0.625 176.537 175.900 0.021 0.000 1.089 81 Y CA -0.367 57.744 58.100 0.019 0.000 1.444 81 Y CB 0.172 38.646 38.460 0.022 0.000 1.187 81 Y HN 0.347 nan 8.280 nan 0.000 0.523 82 D N 9.136 129.528 120.400 -0.012 0.000 2.450 82 D HA 0.015 4.655 4.640 0.001 0.000 0.247 82 D C -1.435 174.668 176.300 -0.328 0.000 1.162 82 D CA -1.451 52.477 54.000 -0.120 0.000 0.879 82 D CB 1.240 42.012 40.800 -0.047 0.000 1.163 82 D HN 0.318 nan 8.370 nan 0.000 0.472 83 P HA -0.276 nan 4.420 nan 0.000 0.220 83 P C 0.802 177.985 177.300 -0.196 0.000 1.155 83 P CA 1.762 64.723 63.100 -0.233 0.000 0.880 83 P CB 0.143 31.780 31.700 -0.105 0.000 0.790 84 K N -0.626 119.695 120.400 -0.132 0.000 2.032 84 K HA -0.153 4.167 4.320 0.001 0.000 0.209 84 K C 1.952 178.509 176.600 -0.073 0.000 1.048 84 K CA 1.667 57.905 56.287 -0.081 0.000 0.927 84 K CB -0.521 31.947 32.500 -0.054 0.000 0.712 84 K HN 0.171 nan 8.250 nan 0.000 0.441 85 D N 0.738 121.081 120.400 -0.096 0.000 2.092 85 D HA -0.182 4.458 4.640 0.001 0.000 0.193 85 D C 1.936 178.230 176.300 -0.009 0.000 0.994 85 D CA 1.544 55.542 54.000 -0.004 0.000 0.828 85 D CB -0.306 40.569 40.800 0.124 0.000 0.963 85 D HN 0.227 nan 8.370 nan 0.000 0.450 86 A N 0.746 123.390 122.820 -0.294 0.000 1.986 86 A HA -0.194 4.126 4.320 0.001 0.000 0.220 86 A C 2.173 179.757 177.584 0.001 0.000 1.171 86 A CA 1.191 53.138 52.037 -0.150 0.000 0.640 86 A CB -0.595 18.162 19.000 -0.406 0.000 0.811 86 A HN 0.233 nan 8.150 nan 0.000 0.451 87 L N -0.688 120.522 121.223 -0.020 0.000 2.049 87 L HA -0.017 4.323 4.340 0.001 0.000 0.203 87 L C 2.238 179.139 176.870 0.052 0.000 1.074 87 L CA 2.003 56.864 54.840 0.034 0.000 0.749 87 L CB -0.520 41.561 42.059 0.037 0.000 0.907 87 L HN 0.288 nan 8.230 nan 0.000 0.439 88 K N -0.152 120.273 120.400 0.042 0.000 1.971 88 K HA -0.202 4.119 4.320 0.001 0.000 0.221 88 K C 1.836 178.475 176.600 0.066 0.000 1.050 88 K CA 1.923 58.241 56.287 0.052 0.000 0.967 88 K CB -0.563 31.966 32.500 0.047 0.000 0.733 88 K HN 0.398 nan 8.250 nan 0.000 0.445 89 N N 0.450 119.204 118.700 0.090 0.000 2.503 89 N HA -0.152 4.589 4.740 0.001 0.000 0.189 89 N C 1.428 176.988 175.510 0.083 0.000 1.048 89 N CA 0.911 54.018 53.050 0.095 0.000 0.905 89 N CB 0.056 38.625 38.487 0.136 0.000 0.951 89 N HN 0.266 nan 8.380 nan 0.000 0.446 90 A N 0.270 123.138 122.820 0.080 0.000 1.887 90 A HA -0.004 4.317 4.320 0.001 0.000 0.212 90 A C 2.609 180.222 177.584 0.049 0.000 1.198 90 A CA 0.321 52.396 52.037 0.064 0.000 0.628 90 A CB -0.760 18.278 19.000 0.064 0.000 0.847 90 A HN 0.352 nan 8.150 nan 0.000 0.449 91 C N 0.134 119.466 119.300 0.054 0.000 2.376 91 C HA -0.162 4.298 4.460 0.001 0.000 0.275 91 C C 2.750 177.762 174.990 0.038 0.000 1.200 91 C CA 1.441 60.489 59.018 0.050 0.000 1.756 91 C CB -1.442 26.335 27.740 0.062 0.000 2.050 91 C HN 0.625 nan 8.230 nan 0.000 0.460 92 N N 0.245 118.968 118.700 0.039 0.000 2.069 92 N HA -0.134 4.607 4.740 0.001 0.000 0.191 92 N C 1.983 177.509 175.510 0.026 0.000 1.031 92 N CA 1.604 54.673 53.050 0.032 0.000 0.852 92 N CB -0.625 37.882 38.487 0.034 0.000 1.018 92 N HN 0.489 nan 8.380 nan 0.000 0.423 93 S N 0.942 116.659 115.700 0.029 0.000 2.380 93 S HA -0.108 4.362 4.470 0.001 0.000 0.229 93 S C 2.081 176.690 174.600 0.016 0.000 1.043 93 S CA 0.849 59.063 58.200 0.023 0.000 1.038 93 S CB -0.240 62.977 63.200 0.028 0.000 0.872 93 S HN 0.237 nan 8.310 nan 0.000 0.456 94 I N 1.236 121.815 120.570 0.014 0.000 2.099 94 I HA -0.236 3.934 4.170 0.001 0.000 0.239 94 I C 2.218 178.337 176.117 0.003 0.000 1.066 94 I CA 1.697 63.000 61.300 0.005 0.000 1.324 94 I CB -0.555 37.446 38.000 0.001 0.000 1.037 94 I HN 0.348 nan 8.210 nan 0.000 0.401 95 I N 0.840 121.414 120.570 0.008 0.000 2.118 95 I HA -0.356 3.814 4.170 0.001 0.000 0.241 95 I C 2.209 178.329 176.117 0.006 0.000 1.070 95 I CA 1.630 62.934 61.300 0.006 0.000 1.327 95 I CB -0.814 37.192 38.000 0.011 0.000 1.034 95 I HN 0.364 nan 8.210 nan 0.000 0.405 96 N N 0.948 119.654 118.700 0.010 0.000 2.272 96 N HA -0.184 4.556 4.740 0.001 0.000 0.185 96 N C 1.807 177.323 175.510 0.010 0.000 1.014 96 N CA 1.253 54.310 53.050 0.011 0.000 0.870 96 N CB -0.138 38.357 38.487 0.014 0.000 0.975 96 N HN 0.450 nan 8.380 nan 0.000 0.433 97 K N 0.826 121.231 120.400 0.007 0.000 2.031 97 K HA 0.089 4.410 4.320 0.001 0.000 0.205 97 K C 2.146 178.748 176.600 0.003 0.000 1.049 97 K CA 0.537 56.828 56.287 0.006 0.000 0.939 97 K CB 0.014 32.515 32.500 0.002 0.000 0.717 97 K HN 0.055 nan 8.250 nan 0.000 0.438 98 L N -0.319 120.902 121.223 -0.004 0.000 2.141 98 L HA -0.092 4.249 4.340 0.001 0.000 0.209 98 L C 2.402 179.269 176.870 -0.005 0.000 1.094 98 L CA 1.230 56.063 54.840 -0.012 0.000 0.763 98 L CB -0.639 41.407 42.059 -0.021 0.000 0.908 98 L HN 0.388 nan 8.230 nan 0.000 0.437 99 G N -0.349 108.453 108.800 0.002 0.000 2.422 99 G HA2 -0.221 3.740 3.960 0.001 0.000 0.218 99 G HA3 -0.221 3.740 3.960 0.001 0.000 0.218 99 G C 1.688 176.599 174.900 0.018 0.000 1.146 99 G CA 0.796 45.901 45.100 0.008 0.000 0.769 99 G HN 0.467 nan 8.290 nan 0.000 0.547 100 A N 0.032 122.864 122.820 0.021 0.000 2.021 100 A HA 0.341 4.661 4.320 0.001 0.000 0.216 100 A C 2.211 179.820 177.584 0.043 0.000 1.163 100 A CA 0.687 52.742 52.037 0.030 0.000 0.676 100 A CB -0.228 18.788 19.000 0.026 0.000 0.818 100 A HN 0.351 nan 8.150 nan 0.000 0.453 101 L N -0.210 121.033 121.223 0.034 0.000 1.944 101 L HA -0.284 4.057 4.340 0.001 0.000 0.218 101 L C 2.460 179.375 176.870 0.075 0.000 1.075 101 L CA 2.688 57.554 54.840 0.044 0.000 0.767 101 L CB -0.533 41.529 42.059 0.006 0.000 0.890 101 L HN 0.472 nan 8.230 nan 0.000 0.434 102 K N -0.823 119.599 120.400 0.038 0.000 2.044 102 K HA -0.285 4.036 4.320 0.001 0.000 0.224 102 K C 1.781 178.458 176.600 0.127 0.000 1.056 102 K CA 3.178 59.498 56.287 0.056 0.000 0.962 102 K CB -0.490 32.021 32.500 0.019 0.000 0.730 102 K HN 0.475 nan 8.250 nan 0.000 0.453 103 T N 0.748 115.355 114.554 0.088 0.000 2.708 103 T HA -0.113 4.237 4.350 0.001 0.000 0.266 103 T C 1.653 176.414 174.700 0.101 0.000 1.037 103 T CA 1.481 63.631 62.100 0.084 0.000 1.146 103 T CB -0.460 68.440 68.868 0.053 0.000 0.865 103 T HN 0.273 nan 8.240 nan 0.000 0.435 104 N N 0.652 119.414 118.700 0.104 0.000 2.166 104 N HA -0.030 4.711 4.740 0.001 0.000 0.186 104 N C 1.479 177.073 175.510 0.140 0.000 1.019 104 N CA 0.716 53.827 53.050 0.101 0.000 0.856 104 N CB -0.494 38.045 38.487 0.088 0.000 0.993 104 N HN 0.403 nan 8.380 nan 0.000 0.426 105 F N 2.428 122.401 119.950 0.039 0.000 2.102 105 F HA -0.123 4.404 4.527 0.001 0.000 0.298 105 F C 2.103 177.967 175.800 0.107 0.000 1.105 105 F CA 1.277 59.312 58.000 0.060 0.000 1.239 105 F CB -0.120 38.893 39.000 0.022 0.000 0.991 105 F HN -0.057 nan 8.300 nan 0.000 0.474 106 E N 0.239 120.498 120.200 0.099 0.000 2.048 106 E HA -0.238 4.113 4.350 0.001 0.000 0.202 106 E C 2.171 178.782 176.600 0.017 0.000 1.021 106 E CA 2.355 58.781 56.400 0.043 0.000 0.825 106 E CB -1.307 28.450 29.700 0.095 0.000 0.756 106 E HN 0.446 nan 8.360 nan 0.000 0.454 107 T N 1.864 116.431 114.554 0.021 0.000 2.759 107 T HA -0.145 4.205 4.350 0.001 0.000 0.269 107 T C 1.720 176.405 174.700 -0.024 0.000 1.042 107 T CA 1.225 63.330 62.100 0.009 0.000 1.140 107 T CB -0.064 68.814 68.868 0.016 0.000 0.864 107 T HN 0.078 nan 8.240 nan 0.000 0.455 108 E N 0.315 120.486 120.200 -0.049 0.000 2.015 108 E HA -0.102 4.248 4.350 0.001 0.000 0.191 108 E C 1.838 178.363 176.600 -0.125 0.000 0.991 108 E CA 0.697 57.048 56.400 -0.081 0.000 0.802 108 E CB -0.528 29.129 29.700 -0.071 0.000 0.759 108 E HN 0.633 nan 8.360 nan 0.000 0.447 109 W N 2.503 123.548 121.300 -0.425 0.000 2.283 109 W HA -0.333 4.328 4.660 0.001 0.000 0.335 109 W C 1.505 177.897 176.519 -0.210 0.000 1.313 109 W CA 2.054 59.147 57.345 -0.420 0.000 1.263 109 W CB -0.633 28.472 29.460 -0.591 0.000 1.141 109 W HN 0.102 nan 8.180 nan 0.000 0.468 110 N N 0.812 119.437 118.700 -0.125 0.000 2.192 110 N HA -0.206 4.535 4.740 0.001 0.000 0.188 110 N C 1.772 177.153 175.510 -0.215 0.000 1.013 110 N CA 2.001 54.951 53.050 -0.166 0.000 0.863 110 N CB -0.935 37.554 38.487 0.004 0.000 0.990 110 N HN 0.367 nan 8.380 nan 0.000 0.430 111 L N 0.327 121.440 121.223 -0.182 0.000 2.291 111 L HA -0.041 4.299 4.340 0.001 0.000 0.214 111 L C 1.217 177.976 176.870 -0.185 0.000 1.120 111 L CA 0.736 55.487 54.840 -0.148 0.000 0.799 111 L CB -0.235 41.763 42.059 -0.102 0.000 0.925 111 L HN 0.167 nan 8.230 nan 0.000 0.446 112 Q N 0.493 120.127 119.800 -0.278 0.000 2.308 112 Q HA 0.273 4.613 4.340 0.001 0.000 0.207 112 Q C -0.148 175.688 176.000 -0.273 0.000 1.035 112 Q CA 0.240 55.880 55.803 -0.273 0.000 1.008 112 Q CB 1.090 29.631 28.738 -0.329 0.000 1.168 112 Q HN 0.090 nan 8.270 nan 0.000 0.565 113 T N -0.201 114.220 114.554 -0.222 0.000 2.886 113 T HA 0.755 5.106 4.350 0.001 0.000 0.292 113 T C 0.016 174.616 174.700 -0.167 0.000 1.012 113 T CA -0.703 61.289 62.100 -0.178 0.000 0.982 113 T CB 1.392 70.190 68.868 -0.116 0.000 1.018 113 T HN 0.587 nan 8.240 nan 0.000 0.451 114 L N 0.000 121.132 121.223 -0.151 0.000 2.949 114 L HA 0.000 4.340 4.340 0.001 0.000 0.249 114 L CA 0.000 54.774 54.840 -0.110 0.000 0.813 114 L CB 0.000 42.009 42.059 -0.083 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502