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 2r7z_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 0.000 176.288 176.300 -0.019 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.015 0.000 0.988 1 M CB 0.000 32.595 32.600 -0.008 0.000 1.302 2 N N 1.714 120.402 118.700 -0.020 0.000 2.353 2 N HA 0.351 5.091 4.740 0.000 0.000 0.185 2 N C 0.041 175.526 175.510 -0.043 0.000 1.098 2 N CA 0.789 53.828 53.050 -0.020 0.000 0.872 2 N CB 0.404 38.890 38.487 -0.002 0.000 0.970 2 N HN 0.491 nan 8.380 nan 0.000 0.467 3 A N 3.389 126.173 122.820 -0.060 0.000 2.522 3 A HA 0.204 4.524 4.320 0.000 0.000 0.256 3 A C -1.209 176.317 177.584 -0.096 0.000 1.086 3 A CA -0.842 51.140 52.037 -0.091 0.000 0.763 3 A CB -0.257 18.692 19.000 -0.085 0.000 1.024 3 A HN 0.111 nan 8.150 nan 0.000 0.502 4 P HA 0.033 nan 4.420 nan 0.000 0.273 4 P C -0.703 176.476 177.300 -0.202 0.000 1.252 4 P CA -0.223 62.795 63.100 -0.137 0.000 0.809 4 P CB 0.481 32.114 31.700 -0.113 0.000 1.017 5 D N 0.456 120.648 120.400 -0.347 0.000 2.249 5 D HA 0.082 4.723 4.640 0.000 0.000 0.246 5 D C 1.569 177.532 176.300 -0.562 0.000 1.114 5 D CA -0.408 53.251 54.000 -0.569 0.000 0.854 5 D CB 0.987 41.132 40.800 -1.093 0.000 1.132 5 D HN 0.162 nan 8.370 nan 0.000 0.461 6 R N 2.285 122.616 120.500 -0.282 0.000 2.162 6 R HA -0.222 4.118 4.340 0.000 0.000 0.245 6 R C 1.882 178.228 176.300 0.077 0.000 1.129 6 R CA 1.305 57.378 56.100 -0.045 0.000 0.940 6 R CB -1.131 29.220 30.300 0.085 0.000 0.875 6 R HN 0.627 nan 8.270 nan 0.000 0.437 7 F N 1.197 121.240 119.950 0.157 0.000 2.668 7 F HA -0.034 4.493 4.527 0.000 0.000 0.293 7 F C 0.968 176.622 175.800 -0.244 0.000 1.258 7 F CA 0.420 58.364 58.000 -0.093 0.000 1.480 7 F CB -0.752 38.100 39.000 -0.248 0.000 1.122 7 F HN 0.079 nan 8.300 nan 0.000 0.611 8 E N 0.272 120.436 120.200 -0.061 0.000 2.474 8 E HA 0.124 4.474 4.350 0.000 0.000 0.195 8 E C 1.889 178.562 176.600 0.122 0.000 1.039 8 E CA 0.026 56.421 56.400 -0.008 0.000 0.881 8 E CB 0.025 29.654 29.700 -0.118 0.000 0.970 8 E HN 0.564 nan 8.360 nan 0.000 0.486 9 L N -0.100 121.310 121.223 0.311 0.000 2.395 9 L HA 0.028 4.368 4.340 0.000 0.000 0.218 9 L C 1.700 178.876 176.870 0.510 0.000 1.130 9 L CA 0.997 56.069 54.840 0.387 0.000 0.826 9 L CB -0.193 42.076 42.059 0.350 0.000 0.941 9 L HN 0.229 nan 8.230 nan 0.000 0.451 10 F N -3.970 116.041 119.950 0.102 0.000 2.883 10 F HA 0.326 4.853 4.527 0.000 0.000 0.351 10 F C 0.456 176.309 175.800 0.089 0.000 0.970 10 F CA -0.743 57.313 58.000 0.093 0.000 1.130 10 F CB 0.408 39.459 39.000 0.085 0.000 1.015 10 F HN -0.338 nan 8.300 nan 0.000 0.585 11 L N 4.318 125.385 121.223 -0.260 0.000 2.260 11 L HA 0.386 4.727 4.340 0.000 0.000 0.289 11 L C -0.388 176.447 176.870 -0.058 0.000 1.057 11 L CA -0.470 54.247 54.840 -0.204 0.000 0.811 11 L CB 1.190 43.066 42.059 -0.305 0.000 1.184 11 L HN 0.147 nan 8.230 nan 0.000 0.429 12 L N 3.186 124.386 121.223 -0.037 0.000 2.410 12 L HA 0.400 4.740 4.340 0.000 0.000 0.273 12 L C 1.155 178.007 176.870 -0.030 0.000 1.152 12 L CA 0.317 55.144 54.840 -0.022 0.000 0.855 12 L CB 0.491 42.538 42.059 -0.020 0.000 1.129 12 L HN 0.655 nan 8.230 nan 0.000 0.463 13 G N 1.384 110.172 108.800 -0.021 0.000 2.525 13 G HA2 0.248 4.208 3.960 0.000 0.000 0.287 13 G HA3 0.248 4.208 3.960 0.000 0.000 0.287 13 G C -0.455 174.428 174.900 -0.028 0.000 1.350 13 G CA -0.706 44.383 45.100 -0.018 0.000 1.039 13 G HN 0.630 nan 8.290 nan 0.000 0.513 14 E N -0.114 120.071 120.200 -0.026 0.000 2.820 14 E HA 0.238 4.588 4.350 0.000 0.000 0.251 14 E C 0.959 177.540 176.600 -0.031 0.000 0.944 14 E CA 1.034 57.417 56.400 -0.028 0.000 0.955 14 E CB -0.071 29.614 29.700 -0.025 0.000 0.904 14 E HN 0.966 nan 8.360 nan 0.000 0.513 15 G N 4.095 112.876 108.800 -0.031 0.000 2.345 15 G HA2 -0.283 3.677 3.960 0.000 0.000 0.205 15 G HA3 -0.283 3.677 3.960 0.000 0.000 0.205 15 G C -0.429 174.449 174.900 -0.037 0.000 0.534 15 G CA 0.511 45.591 45.100 -0.032 0.000 0.968 15 G HN 0.582 nan 8.290 nan 0.000 0.330 16 E N 0.522 120.699 120.200 -0.038 0.000 2.537 16 E HA 0.335 4.686 4.350 0.000 0.000 0.301 16 E C -0.839 175.734 176.600 -0.045 0.000 0.990 16 E CA -0.666 55.709 56.400 -0.043 0.000 0.828 16 E CB 1.444 31.119 29.700 -0.040 0.000 1.243 16 E HN 0.373 nan 8.360 nan 0.000 0.414 17 S N 2.119 117.785 115.700 -0.057 0.000 2.509 17 S HA 0.222 4.692 4.470 0.000 0.000 0.297 17 S C 0.997 175.549 174.600 -0.080 0.000 1.118 17 S CA -0.824 57.337 58.200 -0.064 0.000 1.074 17 S CB 1.483 64.638 63.200 -0.076 0.000 1.038 17 S HN 0.380 nan 8.310 nan 0.000 0.498 18 K N 1.189 121.548 120.400 -0.068 0.000 2.127 18 K HA -0.037 4.283 4.320 0.000 0.000 0.208 18 K C 0.310 176.801 176.600 -0.182 0.000 1.047 18 K CA 1.302 57.547 56.287 -0.070 0.000 0.927 18 K CB -0.247 32.237 32.500 -0.026 0.000 0.716 18 K HN 0.523 nan 8.250 nan 0.000 0.450 19 L N 0.630 121.725 121.223 -0.213 0.000 2.334 19 L HA 0.362 4.702 4.340 0.000 0.000 0.276 19 L C -0.101 176.633 176.870 -0.226 0.000 1.014 19 L CA -0.635 54.009 54.840 -0.327 0.000 0.815 19 L CB 1.781 43.630 42.059 -0.349 0.000 1.268 19 L HN -0.143 nan 8.230 nan 0.000 0.428 20 K N 3.700 123.953 120.400 -0.245 0.000 2.535 20 K HA 0.572 4.893 4.320 0.000 0.000 0.250 20 K C -1.699 174.808 176.600 -0.155 0.000 0.948 20 K CA -0.465 55.729 56.287 -0.155 0.000 0.796 20 K CB 1.953 34.381 32.500 -0.119 0.000 1.216 20 K HN 0.529 nan 8.250 nan 0.000 0.432 21 I N 3.860 124.364 120.570 -0.110 0.000 2.410 21 I HA 0.269 4.439 4.170 0.000 0.000 0.286 21 I C -0.979 175.109 176.117 -0.047 0.000 1.009 21 I CA -0.699 60.551 61.300 -0.084 0.000 1.111 21 I CB 1.699 39.651 38.000 -0.081 0.000 1.262 21 I HN 0.443 nan 8.210 nan 0.000 0.443 22 D N 8.337 128.720 120.400 -0.029 0.000 2.502 22 D HA 0.333 4.973 4.640 0.000 0.000 0.249 22 D C -2.517 173.784 176.300 0.001 0.000 1.092 22 D CA -1.215 52.778 54.000 -0.013 0.000 0.839 22 D CB 2.350 43.145 40.800 -0.008 0.000 1.264 22 D HN 0.204 nan 8.370 nan 0.000 0.511 23 P HA 0.052 nan 4.420 nan 0.000 0.276 23 P C -0.358 176.951 177.300 0.016 0.000 1.235 23 P CA -0.221 62.884 63.100 0.009 0.000 0.772 23 P CB 1.417 33.119 31.700 0.003 0.000 0.871 24 D N 2.333 122.748 120.400 0.025 0.000 2.256 24 D HA 0.097 4.737 4.640 0.000 0.000 0.250 24 D C 0.788 177.098 176.300 0.017 0.000 1.093 24 D CA -0.071 53.946 54.000 0.027 0.000 0.882 24 D CB 1.164 41.991 40.800 0.044 0.000 1.185 24 D HN 0.263 nan 8.370 nan 0.000 0.437 25 T N 1.774 116.335 114.554 0.011 0.000 3.037 25 T HA -0.006 4.344 4.350 0.000 0.000 0.252 25 T C 1.665 176.365 174.700 0.000 0.000 1.073 25 T CA -0.069 62.034 62.100 0.005 0.000 1.091 25 T CB 0.323 69.194 68.868 0.004 0.000 0.935 25 T HN 0.334 nan 8.240 nan 0.000 0.488 26 K N 2.183 122.582 120.400 -0.002 0.000 2.144 26 K HA 0.035 4.355 4.320 0.000 0.000 0.209 26 K C 0.993 177.582 176.600 -0.019 0.000 1.047 26 K CA 1.221 57.500 56.287 -0.013 0.000 0.927 26 K CB -0.379 32.109 32.500 -0.020 0.000 0.716 26 K HN 0.567 nan 8.250 nan 0.000 0.454 27 A N 1.011 123.823 122.820 -0.014 0.000 2.594 27 A HA 0.470 4.790 4.320 0.000 0.000 0.295 27 A C -2.716 174.868 177.584 -0.000 0.000 1.071 27 A CA -1.375 50.653 52.037 -0.014 0.000 0.685 27 A CB 1.525 20.506 19.000 -0.033 0.000 1.285 27 A HN -0.127 nan 8.150 nan 0.000 0.405 28 P HA 0.085 nan 4.420 nan 0.000 0.272 28 P C -0.232 177.077 177.300 0.015 0.000 1.223 28 P CA 0.032 63.137 63.100 0.009 0.000 0.784 28 P CB 0.410 32.116 31.700 0.009 0.000 0.923 29 N N 0.316 119.025 118.700 0.015 0.000 2.556 29 N HA -0.165 4.575 4.740 0.000 0.000 0.288 29 N C -1.235 174.289 175.510 0.022 0.000 1.226 29 N CA 1.275 54.333 53.050 0.014 0.000 0.719 29 N CB -1.195 37.301 38.487 0.015 0.000 0.923 29 N HN 0.771 nan 8.380 nan 0.000 0.544 30 A N 1.022 123.858 122.820 0.027 0.000 2.583 30 A HA 0.642 4.962 4.320 0.000 0.000 0.298 30 A C -1.006 176.607 177.584 0.049 0.000 1.055 30 A CA -0.392 51.678 52.037 0.055 0.000 0.714 30 A CB 1.631 20.680 19.000 0.081 0.000 1.277 30 A HN 0.259 nan 8.150 nan 0.000 0.406 31 V N 0.491 120.442 119.914 0.062 0.000 3.130 31 V HA 0.747 4.867 4.120 0.000 0.000 0.310 31 V C -0.691 175.451 176.094 0.081 0.000 1.158 31 V CA -0.744 61.587 62.300 0.052 0.000 1.029 31 V CB 2.221 34.058 31.823 0.023 0.000 1.057 31 V HN 0.923 nan 8.190 nan 0.000 0.436 32 V N 3.543 123.496 119.914 0.066 0.000 2.376 32 V HA 0.507 4.627 4.120 0.000 0.000 0.287 32 V C -0.510 175.613 176.094 0.047 0.000 1.015 32 V CA -0.213 62.138 62.300 0.085 0.000 0.834 32 V CB 1.387 33.257 31.823 0.080 0.000 1.001 32 V HN 0.636 nan 8.190 nan 0.000 0.428 33 I N 3.611 124.223 120.570 0.070 0.000 2.339 33 I HA 0.340 4.510 4.170 0.000 0.000 0.290 33 I C 0.372 176.458 176.117 -0.053 0.000 0.994 33 I CA -0.156 61.113 61.300 -0.052 0.000 1.191 33 I CB 1.809 39.735 38.000 -0.123 0.000 1.343 33 I HN 0.427 nan 8.210 nan 0.000 0.458 34 T N 6.807 121.269 114.554 -0.153 0.000 2.727 34 T HA 0.380 4.730 4.350 0.000 0.000 0.298 34 T C -0.343 174.179 174.700 -0.297 0.000 0.942 34 T CA -0.132 61.892 62.100 -0.127 0.000 0.997 34 T CB -0.152 68.668 68.868 -0.079 0.000 0.917 34 T HN 0.102 nan 8.240 nan 0.000 0.487 35 F N 3.265 122.927 119.950 -0.480 0.000 2.404 35 F HA 0.323 4.851 4.527 0.000 0.000 0.358 35 F C 1.084 176.671 175.800 -0.356 0.000 1.120 35 F CA -0.894 56.778 58.000 -0.547 0.000 1.144 35 F CB 0.676 38.975 39.000 -1.168 0.000 1.133 35 F HN 0.326 nan 8.300 nan 0.000 0.495 36 E N 3.346 123.511 120.200 -0.058 0.000 2.319 36 E HA 0.165 4.515 4.350 0.000 0.000 0.268 36 E C 0.134 176.770 176.600 0.060 0.000 1.050 36 E CA -0.508 55.888 56.400 -0.006 0.000 0.878 36 E CB 0.811 30.494 29.700 -0.028 0.000 1.066 36 E HN 0.313 nan 8.360 nan 0.000 0.406 37 K N 1.409 121.859 120.400 0.085 0.000 3.356 37 K HA -0.212 4.108 4.320 0.000 0.000 0.270 37 K C -0.039 176.670 176.600 0.183 0.000 0.901 37 K CA 0.959 57.328 56.287 0.137 0.000 0.688 37 K CB -1.045 31.527 32.500 0.120 0.000 1.460 37 K HN 0.438 nan 8.250 nan 0.000 0.458 38 E N 0.216 120.538 120.200 0.204 0.000 2.459 38 E HA 0.507 4.857 4.350 0.000 0.000 0.275 38 E C -0.160 176.641 176.600 0.335 0.000 0.987 38 E CA -0.429 56.138 56.400 0.277 0.000 0.828 38 E CB 1.890 31.792 29.700 0.337 0.000 1.428 38 E HN 0.290 nan 8.360 nan 0.000 0.457 39 D N -1.894 118.712 120.400 0.343 0.000 2.992 39 D HA 0.092 4.732 4.640 0.000 0.000 0.349 39 D C 0.948 177.212 176.300 -0.060 0.000 1.393 39 D CA -0.379 53.708 54.000 0.145 0.000 0.887 39 D CB -0.061 40.800 40.800 0.102 0.000 1.447 39 D HN 0.363 nan 8.370 nan 0.000 0.524 40 H N 0.114 119.157 119.070 -0.045 0.000 2.278 40 H HA -0.195 4.362 4.556 0.000 0.000 0.287 40 H C 1.570 176.853 175.328 -0.075 0.000 1.107 40 H CA 2.791 58.820 56.048 -0.031 0.000 1.192 40 H CB -0.902 28.859 29.762 -0.000 0.000 1.346 40 H HN 0.521 nan 8.280 nan 0.000 0.478 41 T N 0.906 115.526 114.554 0.109 0.000 2.616 41 T HA -0.248 4.102 4.350 0.000 0.000 0.261 41 T C 2.181 176.875 174.700 -0.011 0.000 1.105 41 T CA 2.190 64.312 62.100 0.037 0.000 1.159 41 T CB -0.508 68.389 68.868 0.048 0.000 0.856 41 T HN 0.237 nan 8.240 nan 0.000 0.449 42 L N -0.699 120.521 121.223 -0.004 0.000 2.556 42 L HA 0.353 4.693 4.340 0.000 0.000 0.226 42 L C 2.260 179.029 176.870 -0.169 0.000 1.089 42 L CA 0.677 55.504 54.840 -0.021 0.000 0.864 42 L CB -0.300 41.816 42.059 0.094 0.000 1.067 42 L HN 0.329 nan 8.230 nan 0.000 0.477 43 G N -0.016 108.543 108.800 -0.401 0.000 2.556 43 G HA2 -0.330 3.630 3.960 0.000 0.000 0.215 43 G HA3 -0.330 3.630 3.960 0.000 0.000 0.215 43 G C 1.223 175.635 174.900 -0.814 0.000 1.258 43 G CA 0.771 45.323 45.100 -0.912 0.000 0.811 43 G HN 0.385 nan 8.290 nan 0.000 0.557 44 N N 0.117 118.312 118.700 -0.841 0.000 2.182 44 N HA -0.138 4.602 4.740 0.000 0.000 0.192 44 N C 2.052 177.275 175.510 -0.479 0.000 1.007 44 N CA 1.209 53.758 53.050 -0.836 0.000 0.873 44 N CB -0.308 37.965 38.487 -0.357 0.000 0.998 44 N HN 0.254 nan 8.380 nan 0.000 0.436 45 L N 0.384 121.415 121.223 -0.320 0.000 2.044 45 L HA 0.133 4.474 4.340 0.000 0.000 0.205 45 L C 1.920 178.681 176.870 -0.182 0.000 1.075 45 L CA 1.328 56.049 54.840 -0.198 0.000 0.747 45 L CB -0.427 41.556 42.059 -0.126 0.000 0.903 45 L HN 0.213 nan 8.230 nan 0.000 0.435 46 I N -0.929 119.525 120.570 -0.193 0.000 2.830 46 I HA -0.154 4.016 4.170 0.000 0.000 0.263 46 I C 2.415 178.436 176.117 -0.161 0.000 1.230 46 I CA 0.275 61.502 61.300 -0.122 0.000 1.480 46 I CB -0.421 37.537 38.000 -0.070 0.000 1.095 46 I HN 0.281 nan 8.210 nan 0.000 0.455 47 R N 1.559 121.882 120.500 -0.294 0.000 2.055 47 R HA 0.020 4.360 4.340 0.000 0.000 0.226 47 R C 2.294 178.456 176.300 -0.229 0.000 1.135 47 R CA 1.622 57.532 56.100 -0.317 0.000 0.959 47 R CB -0.548 29.403 30.300 -0.580 0.000 0.854 47 R HN 0.287 nan 8.270 nan 0.000 0.431 48 A N 1.728 124.414 122.820 -0.223 0.000 1.841 48 A HA -0.162 4.159 4.320 0.000 0.000 0.216 48 A C 2.006 179.529 177.584 -0.101 0.000 1.199 48 A CA 1.571 53.518 52.037 -0.150 0.000 0.621 48 A CB -0.641 18.277 19.000 -0.136 0.000 0.835 48 A HN 0.318 nan 8.150 nan 0.000 0.445 49 E N -0.238 119.910 120.200 -0.086 0.000 2.130 49 E HA -0.191 4.159 4.350 0.000 0.000 0.196 49 E C 1.930 178.508 176.600 -0.036 0.000 0.998 49 E CA 0.912 57.282 56.400 -0.049 0.000 0.806 49 E CB -0.449 29.230 29.700 -0.036 0.000 0.738 49 E HN 0.637 nan 8.360 nan 0.000 0.459 50 L N 0.407 121.599 121.223 -0.052 0.000 2.353 50 L HA -0.150 4.190 4.340 0.000 0.000 0.220 50 L C 2.075 178.920 176.870 -0.042 0.000 1.133 50 L CA 0.225 55.042 54.840 -0.038 0.000 0.798 50 L CB -0.004 42.021 42.059 -0.058 0.000 0.922 50 L HN 0.113 nan 8.230 nan 0.000 0.445 51 L N -0.779 120.410 121.223 -0.057 0.000 2.558 51 L HA 0.041 4.382 4.340 0.000 0.000 0.225 51 L C 1.608 178.468 176.870 -0.017 0.000 1.128 51 L CA 1.054 55.866 54.840 -0.047 0.000 0.868 51 L CB -0.524 41.495 42.059 -0.068 0.000 1.006 51 L HN 0.159 nan 8.230 nan 0.000 0.454 52 N N -0.787 117.907 118.700 -0.009 0.000 2.405 52 N HA -0.038 4.702 4.740 0.000 0.000 0.175 52 N C 0.190 175.714 175.510 0.023 0.000 1.051 52 N CA 0.288 53.340 53.050 0.004 0.000 0.899 52 N CB -0.103 38.383 38.487 -0.001 0.000 1.000 52 N HN 0.272 nan 8.380 nan 0.000 0.451 53 D N 1.448 121.872 120.400 0.039 0.000 2.357 53 D HA 0.028 4.668 4.640 0.000 0.000 0.265 53 D C 0.709 177.057 176.300 0.080 0.000 1.334 53 D CA 0.023 54.068 54.000 0.076 0.000 0.984 53 D CB 0.348 41.222 40.800 0.124 0.000 1.077 53 D HN 0.073 nan 8.370 nan 0.000 0.514 54 R N 2.250 122.787 120.500 0.062 0.000 2.371 54 R HA -0.106 4.234 4.340 0.000 0.000 0.226 54 R C 1.360 177.712 176.300 0.087 0.000 1.132 54 R CA 0.690 56.825 56.100 0.058 0.000 1.027 54 R CB 0.364 30.687 30.300 0.038 0.000 0.848 54 R HN 0.232 nan 8.270 nan 0.000 0.479 55 K N 0.059 120.543 120.400 0.141 0.000 2.379 55 K HA 0.089 4.409 4.320 0.000 0.000 0.194 55 K C 0.078 176.808 176.600 0.216 0.000 1.031 55 K CA 0.283 56.709 56.287 0.232 0.000 1.037 55 K CB 0.718 33.460 32.500 0.404 0.000 0.824 55 K HN -0.057 nan 8.250 nan 0.000 0.516 56 V N 3.195 123.190 119.914 0.135 0.000 2.372 56 V HA 0.086 4.206 4.120 0.000 0.000 0.261 56 V C 1.608 177.747 176.094 0.075 0.000 1.055 56 V CA 0.017 62.355 62.300 0.064 0.000 0.930 56 V CB 0.642 32.480 31.823 0.024 0.000 1.031 56 V HN 0.134 nan 8.190 nan 0.000 0.479 57 L N 4.747 126.026 121.223 0.093 0.000 2.291 57 L HA 0.161 4.501 4.340 0.000 0.000 0.214 57 L C 0.352 177.356 176.870 0.225 0.000 1.120 57 L CA 1.249 56.166 54.840 0.128 0.000 0.799 57 L CB -0.054 42.072 42.059 0.112 0.000 0.925 57 L HN 0.592 nan 8.230 nan 0.000 0.446 58 F N -0.385 119.573 119.950 0.014 0.000 2.690 58 F HA 0.608 5.135 4.527 0.000 0.000 0.311 58 F C -1.559 174.253 175.800 0.021 0.000 1.111 58 F CA -0.912 57.098 58.000 0.018 0.000 1.003 58 F CB 1.013 40.025 39.000 0.020 0.000 1.283 58 F HN -0.300 nan 8.300 nan 0.000 0.442 59 A N 3.724 125.842 122.820 -1.170 0.000 2.532 59 A HA 0.985 5.305 4.320 0.000 0.000 0.296 59 A C -1.810 175.278 177.584 -0.826 0.000 1.058 59 A CA 0.075 51.580 52.037 -0.888 0.000 0.729 59 A CB 1.020 19.806 19.000 -0.356 0.000 1.285 59 A HN 2.181 nan 8.150 nan 0.000 0.396 60 A N 0.978 123.466 122.820 -0.553 0.000 2.564 60 A HA 0.975 5.295 4.320 0.000 0.000 0.291 60 A C -1.105 176.538 177.584 0.099 0.000 1.102 60 A CA 0.031 51.961 52.037 -0.178 0.000 0.660 60 A CB 0.621 19.582 19.000 -0.065 0.000 1.283 60 A HN 2.340 nan 8.150 nan 0.000 0.430 61 Y N -0.893 119.376 120.300 -0.052 0.000 2.744 61 Y HA 0.827 5.377 4.550 0.000 0.000 0.330 61 Y C -1.174 174.733 175.900 0.011 0.000 1.263 61 Y CA -0.953 57.151 58.100 0.007 0.000 1.065 61 Y CB 1.456 39.857 38.460 -0.097 0.000 1.306 61 Y HN 1.009 nan 8.280 nan 0.000 0.459 62 K N 0.350 120.487 120.400 -0.437 0.000 2.589 62 K HA 0.500 4.820 4.320 0.000 0.000 0.265 62 K C -1.859 174.539 176.600 -0.337 0.000 0.935 62 K CA -0.938 55.068 56.287 -0.469 0.000 0.850 62 K CB 2.224 34.647 32.500 -0.129 0.000 1.372 62 K HN 0.867 nan 8.250 nan 0.000 0.420 63 V N 0.378 120.074 119.914 -0.363 0.000 2.372 63 V HA 0.195 4.315 4.120 0.000 0.000 0.261 63 V C 1.164 177.217 176.094 -0.068 0.000 1.055 63 V CA -0.267 61.913 62.300 -0.200 0.000 0.930 63 V CB 0.913 32.587 31.823 -0.249 0.000 1.031 63 V HN 0.886 nan 8.190 nan 0.000 0.479 64 E N 2.764 122.976 120.200 0.019 0.000 2.108 64 E HA -0.210 4.140 4.350 0.000 0.000 0.203 64 E C 0.543 177.173 176.600 0.051 0.000 1.022 64 E CA 2.418 58.848 56.400 0.050 0.000 0.823 64 E CB -0.026 29.740 29.700 0.109 0.000 0.744 64 E HN 1.071 nan 8.360 nan 0.000 0.456 65 H N -2.328 116.686 119.070 -0.093 0.000 3.151 65 H HA 0.077 4.633 4.556 0.000 0.000 0.333 65 H C -2.142 173.105 175.328 -0.135 0.000 1.093 65 H CA -0.821 55.110 56.048 -0.195 0.000 1.342 65 H CB 1.811 31.341 29.762 -0.387 0.000 1.983 65 H HN -0.232 nan 8.280 nan 0.000 0.503 66 P HA -0.289 nan 4.420 nan 0.000 0.220 66 P C 1.340 178.817 177.300 0.295 0.000 1.155 66 P CA 1.638 64.726 63.100 -0.019 0.000 0.880 66 P CB -0.034 31.592 31.700 -0.123 0.000 0.790 67 F N -1.098 118.957 119.950 0.176 0.000 2.192 67 F HA -0.096 4.431 4.527 0.000 0.000 0.301 67 F C 1.445 177.482 175.800 0.396 0.000 1.079 67 F CA 0.200 58.294 58.000 0.156 0.000 1.303 67 F CB -0.338 38.559 39.000 -0.172 0.000 1.024 67 F HN -0.179 nan 8.300 nan 0.000 0.494 68 F N 0.063 120.229 119.950 0.360 0.000 2.426 68 F HA 0.512 5.039 4.527 0.000 0.000 0.348 68 F C 0.267 176.157 175.800 0.150 0.000 1.124 68 F CA -1.534 56.584 58.000 0.196 0.000 1.008 68 F CB 0.959 40.051 39.000 0.154 0.000 1.139 68 F HN -0.333 nan 8.300 nan 0.000 0.452 69 A N 5.868 128.874 122.820 0.311 0.000 2.410 69 A HA 0.633 4.953 4.320 0.000 0.000 0.292 69 A C -0.069 177.638 177.584 0.206 0.000 1.232 69 A CA -0.191 51.982 52.037 0.226 0.000 0.893 69 A CB -0.249 18.873 19.000 0.203 0.000 1.131 69 A HN 0.995 nan 8.150 nan 0.000 0.530 70 R N 0.975 121.602 120.500 0.212 0.000 3.231 70 R HA 0.580 4.920 4.340 0.000 0.000 0.279 70 R C -1.199 175.229 176.300 0.212 0.000 0.990 70 R CA -0.785 55.410 56.100 0.159 0.000 0.879 70 R CB 0.263 30.639 30.300 0.126 0.000 1.289 70 R HN 1.169 nan 8.270 nan 0.000 0.529 71 F N -1.358 118.642 119.950 0.082 0.000 2.693 71 F HA 0.662 5.189 4.527 0.000 0.000 0.309 71 F C -1.704 174.172 175.800 0.126 0.000 1.129 71 F CA -1.220 56.779 58.000 -0.002 0.000 0.948 71 F CB 1.847 40.734 39.000 -0.188 0.000 1.315 71 F HN 0.487 nan 8.300 nan 0.000 0.447 72 K N 2.006 122.594 120.400 0.313 0.000 2.182 72 K HA 0.673 4.993 4.320 0.000 0.000 0.262 72 K C -1.825 175.042 176.600 0.445 0.000 0.957 72 K CA -0.998 55.457 56.287 0.280 0.000 0.842 72 K CB 2.348 34.948 32.500 0.166 0.000 1.099 72 K HN 0.684 nan 8.250 nan 0.000 0.438 73 L N 3.233 124.738 121.223 0.469 0.000 2.325 73 L HA 0.397 4.737 4.340 0.000 0.000 0.281 73 L C -0.828 176.208 176.870 0.275 0.000 1.004 73 L CA -0.338 54.769 54.840 0.446 0.000 0.823 73 L CB 1.317 43.742 42.059 0.611 0.000 1.236 73 L HN 0.552 nan 8.230 nan 0.000 0.415 74 R N 6.120 126.735 120.500 0.192 0.000 2.295 74 R HA 0.706 5.046 4.340 0.000 0.000 0.324 74 R C -1.532 174.814 176.300 0.077 0.000 0.968 74 R CA -0.483 55.721 56.100 0.174 0.000 0.837 74 R CB 0.733 31.209 30.300 0.292 0.000 1.133 74 R HN 0.771 nan 8.270 nan 0.000 0.450 75 I N 3.571 124.200 120.570 0.098 0.000 2.466 75 I HA 0.305 4.475 4.170 0.000 0.000 0.289 75 I C -0.619 175.551 176.117 0.088 0.000 1.026 75 I CA -0.793 60.532 61.300 0.042 0.000 1.078 75 I CB 2.100 40.105 38.000 0.008 0.000 1.249 75 I HN 0.540 nan 8.210 nan 0.000 0.429 76 Q N 5.159 125.032 119.800 0.122 0.000 2.337 76 Q HA 0.633 4.973 4.340 0.000 0.000 0.270 76 Q C -1.028 175.002 176.000 0.050 0.000 1.043 76 Q CA -0.496 55.377 55.803 0.118 0.000 0.794 76 Q CB 2.555 31.425 28.738 0.220 0.000 1.281 76 Q HN 0.868 nan 8.270 nan 0.000 0.446 77 T N -0.752 113.796 114.554 -0.011 0.000 2.724 77 T HA 0.523 4.873 4.350 0.000 0.000 0.274 77 T C -0.239 174.483 174.700 0.037 0.000 0.984 77 T CA -0.708 61.371 62.100 -0.034 0.000 1.024 77 T CB 1.158 69.859 68.868 -0.278 0.000 1.320 77 T HN 0.458 nan 8.240 nan 0.000 0.555 78 T N 1.705 116.327 114.554 0.113 0.000 2.814 78 T HA 0.285 4.635 4.350 0.000 0.000 0.297 78 T C 0.274 175.052 174.700 0.131 0.000 0.956 78 T CA -0.535 61.646 62.100 0.135 0.000 1.123 78 T CB 0.504 69.479 68.868 0.178 0.000 0.902 78 T HN 0.774 nan 8.240 nan 0.000 0.528 79 E N 1.623 121.874 120.200 0.085 0.000 2.608 79 E HA 0.125 4.475 4.350 0.000 0.000 0.259 79 E C 1.318 177.974 176.600 0.093 0.000 0.951 79 E CA 0.985 57.428 56.400 0.072 0.000 0.945 79 E CB -0.364 29.366 29.700 0.050 0.000 0.916 79 E HN 0.987 nan 8.360 nan 0.000 0.477 80 G N 3.612 112.467 108.800 0.093 0.000 2.194 80 G HA2 -0.324 3.636 3.960 0.000 0.000 0.236 80 G HA3 -0.324 3.636 3.960 0.000 0.000 0.236 80 G C -0.341 174.662 174.900 0.172 0.000 0.987 80 G CA 0.313 45.473 45.100 0.100 0.000 0.635 80 G HN 0.670 nan 8.290 nan 0.000 0.520 81 Y N 1.680 121.992 120.300 0.019 0.000 2.376 81 Y HA 0.520 5.070 4.550 0.000 0.000 0.326 81 Y C -0.550 175.364 175.900 0.023 0.000 0.970 81 Y CA -1.238 56.874 58.100 0.020 0.000 1.248 81 Y CB 1.176 39.649 38.460 0.021 0.000 1.117 81 Y HN 0.122 nan 8.280 nan 0.000 0.476 82 D N 8.853 129.317 120.400 0.107 0.000 2.390 82 D HA 0.054 4.694 4.640 0.000 0.000 0.249 82 D C -1.702 174.433 176.300 -0.274 0.000 1.144 82 D CA -1.810 52.152 54.000 -0.065 0.000 0.880 82 D CB 2.031 42.842 40.800 0.018 0.000 1.182 82 D HN 0.376 nan 8.370 nan 0.000 0.451 83 P HA -0.154 nan 4.420 nan 0.000 0.217 83 P C 0.986 178.206 177.300 -0.133 0.000 1.150 83 P CA 1.089 64.027 63.100 -0.271 0.000 0.832 83 P CB 0.457 32.066 31.700 -0.152 0.000 0.787 84 K N 0.018 120.378 120.400 -0.068 0.000 2.059 84 K HA -0.193 4.127 4.320 0.000 0.000 0.212 84 K C 2.033 178.634 176.600 0.001 0.000 1.050 84 K CA 1.844 58.118 56.287 -0.022 0.000 0.927 84 K CB -0.647 31.845 32.500 -0.013 0.000 0.714 84 K HN 0.176 nan 8.250 nan 0.000 0.447 85 D N 0.484 120.894 120.400 0.016 0.000 2.087 85 D HA -0.166 4.474 4.640 0.000 0.000 0.192 85 D C 2.028 178.390 176.300 0.104 0.000 0.993 85 D CA 1.553 55.607 54.000 0.089 0.000 0.828 85 D CB -0.216 40.698 40.800 0.190 0.000 0.968 85 D HN 0.238 nan 8.370 nan 0.000 0.448 86 A N 1.071 123.915 122.820 0.041 0.000 1.958 86 A HA -0.224 4.096 4.320 0.000 0.000 0.221 86 A C 2.194 179.812 177.584 0.056 0.000 1.178 86 A CA 1.368 53.446 52.037 0.068 0.000 0.642 86 A CB -0.816 18.077 19.000 -0.179 0.000 0.816 86 A HN 0.257 nan 8.150 nan 0.000 0.453 87 L N -0.363 120.878 121.223 0.029 0.000 1.961 87 L HA -0.174 4.166 4.340 0.000 0.000 0.210 87 L C 2.276 179.188 176.870 0.070 0.000 1.072 87 L CA 2.552 57.428 54.840 0.059 0.000 0.749 87 L CB -0.702 41.401 42.059 0.075 0.000 0.889 87 L HN 0.388 nan 8.230 nan 0.000 0.432 88 K N -0.243 120.197 120.400 0.065 0.000 2.023 88 K HA -0.295 4.025 4.320 0.000 0.000 0.227 88 K C 1.913 178.551 176.600 0.063 0.000 1.054 88 K CA 2.263 58.588 56.287 0.063 0.000 0.977 88 K CB -0.659 31.877 32.500 0.059 0.000 0.733 88 K HN 0.497 nan 8.250 nan 0.000 0.451 89 N N 0.506 119.250 118.700 0.074 0.000 2.037 89 N HA -0.235 4.505 4.740 0.000 0.000 0.196 89 N C 1.876 177.419 175.510 0.055 0.000 1.034 89 N CA 1.700 54.791 53.050 0.068 0.000 0.861 89 N CB -0.567 37.975 38.487 0.093 0.000 1.039 89 N HN 0.312 nan 8.380 nan 0.000 0.427 90 A N 0.947 123.802 122.820 0.058 0.000 1.997 90 A HA -0.195 4.125 4.320 0.000 0.000 0.221 90 A C 2.737 180.341 177.584 0.033 0.000 1.172 90 A CA 1.591 53.651 52.037 0.039 0.000 0.645 90 A CB -0.966 18.055 19.000 0.034 0.000 0.813 90 A HN 0.495 nan 8.150 nan 0.000 0.454 91 C N -0.818 118.510 119.300 0.047 0.000 2.518 91 C HA -0.032 4.428 4.460 0.000 0.000 0.279 91 C C 2.667 177.679 174.990 0.036 0.000 1.279 91 C CA 0.828 59.875 59.018 0.048 0.000 1.703 91 C CB -1.385 26.395 27.740 0.066 0.000 2.072 91 C HN 0.656 nan 8.230 nan 0.000 0.487 92 N N 0.977 119.700 118.700 0.037 0.000 2.104 92 N HA -0.153 4.587 4.740 0.000 0.000 0.190 92 N C 1.952 177.476 175.510 0.023 0.000 1.024 92 N CA 1.676 54.744 53.050 0.030 0.000 0.853 92 N CB -0.602 37.904 38.487 0.031 0.000 1.008 92 N HN 0.490 nan 8.380 nan 0.000 0.424 93 S N 1.254 116.968 115.700 0.023 0.000 2.369 93 S HA -0.117 4.353 4.470 0.000 0.000 0.225 93 S C 2.092 176.699 174.600 0.010 0.000 1.043 93 S CA 1.014 59.224 58.200 0.016 0.000 1.074 93 S CB -0.317 62.893 63.200 0.016 0.000 0.962 93 S HN 0.244 nan 8.310 nan 0.000 0.433 94 I N 1.237 121.812 120.570 0.009 0.000 2.208 94 I HA -0.217 3.953 4.170 0.000 0.000 0.245 94 I C 2.201 178.321 176.117 0.004 0.000 1.097 94 I CA 1.490 62.791 61.300 0.002 0.000 1.363 94 I CB -0.508 37.492 38.000 -0.001 0.000 1.051 94 I HN 0.391 nan 8.210 nan 0.000 0.413 95 I N 0.613 121.190 120.570 0.011 0.000 2.163 95 I HA -0.283 3.887 4.170 0.000 0.000 0.240 95 I C 2.247 178.370 176.117 0.010 0.000 1.081 95 I CA 1.318 62.625 61.300 0.011 0.000 1.353 95 I CB -0.750 37.260 38.000 0.017 0.000 1.054 95 I HN 0.275 nan 8.210 nan 0.000 0.407 96 N N 1.436 120.143 118.700 0.012 0.000 2.137 96 N HA -0.190 4.550 4.740 0.000 0.000 0.190 96 N C 1.748 177.264 175.510 0.010 0.000 1.017 96 N CA 1.383 54.440 53.050 0.012 0.000 0.859 96 N CB -0.270 38.225 38.487 0.013 0.000 1.002 96 N HN 0.456 nan 8.380 nan 0.000 0.428 97 K N 0.564 120.968 120.400 0.007 0.000 2.057 97 K HA 0.016 4.336 4.320 0.000 0.000 0.206 97 K C 2.182 178.785 176.600 0.004 0.000 1.050 97 K CA 0.650 56.940 56.287 0.005 0.000 0.935 97 K CB -0.096 32.404 32.500 -0.001 0.000 0.715 97 K HN 0.137 nan 8.250 nan 0.000 0.439 98 L N 0.049 121.272 121.223 -0.001 0.000 2.044 98 L HA -0.063 4.277 4.340 0.000 0.000 0.205 98 L C 2.590 179.461 176.870 0.002 0.000 1.075 98 L CA 1.196 56.032 54.840 -0.006 0.000 0.747 98 L CB -0.887 41.164 42.059 -0.013 0.000 0.903 98 L HN 0.316 nan 8.230 nan 0.000 0.435 99 G N -0.038 108.766 108.800 0.007 0.000 2.505 99 G HA2 -0.338 3.622 3.960 0.000 0.000 0.220 99 G HA3 -0.338 3.622 3.960 0.000 0.000 0.220 99 G C 1.710 176.623 174.900 0.021 0.000 1.145 99 G CA 1.114 46.221 45.100 0.013 0.000 0.761 99 G HN 0.486 nan 8.290 nan 0.000 0.571 100 A N 0.514 123.346 122.820 0.021 0.000 1.832 100 A HA 0.119 4.439 4.320 0.000 0.000 0.214 100 A C 2.406 180.015 177.584 0.042 0.000 1.200 100 A CA 1.402 53.456 52.037 0.029 0.000 0.610 100 A CB -0.717 18.298 19.000 0.024 0.000 0.842 100 A HN 0.378 nan 8.150 nan 0.000 0.444 101 L N -0.340 120.904 121.223 0.035 0.000 2.089 101 L HA -0.286 4.054 4.340 0.000 0.000 0.213 101 L C 2.617 179.532 176.870 0.075 0.000 1.079 101 L CA 2.345 57.214 54.840 0.050 0.000 0.758 101 L CB -0.278 41.790 42.059 0.016 0.000 0.891 101 L HN 0.551 nan 8.230 nan 0.000 0.433 102 K N -0.982 119.445 120.400 0.045 0.000 2.009 102 K HA -0.200 4.120 4.320 0.000 0.000 0.210 102 K C 1.850 178.523 176.600 0.122 0.000 1.049 102 K CA 2.175 58.496 56.287 0.056 0.000 0.929 102 K CB -0.176 32.339 32.500 0.025 0.000 0.714 102 K HN 0.348 nan 8.250 nan 0.000 0.440 103 T N 1.559 116.167 114.554 0.090 0.000 2.545 103 T HA -0.129 4.221 4.350 0.000 0.000 0.261 103 T C 1.471 176.240 174.700 0.114 0.000 1.097 103 T CA 1.735 63.888 62.100 0.089 0.000 1.189 103 T CB -0.588 68.315 68.868 0.059 0.000 0.863 103 T HN 0.311 nan 8.240 nan 0.000 0.405 104 N N 0.637 119.398 118.700 0.102 0.000 2.573 104 N HA -0.083 4.658 4.740 0.000 0.000 0.196 104 N C 1.106 176.706 175.510 0.151 0.000 1.064 104 N CA 0.632 53.743 53.050 0.101 0.000 0.922 104 N CB -0.383 38.155 38.487 0.084 0.000 0.947 104 N HN 0.451 nan 8.380 nan 0.000 0.450 105 F N 0.950 120.926 119.950 0.043 0.000 2.298 105 F HA 0.150 4.677 4.527 0.000 0.000 0.282 105 F C 1.934 177.800 175.800 0.111 0.000 1.045 105 F CA 0.517 58.555 58.000 0.064 0.000 1.280 105 F CB -0.173 38.844 39.000 0.027 0.000 1.114 105 F HN -0.090 nan 8.300 nan 0.000 0.546 106 E N 0.018 120.336 120.200 0.196 0.000 2.171 106 E HA -0.214 4.136 4.350 0.000 0.000 0.197 106 E C 1.963 178.598 176.600 0.059 0.000 0.997 106 E CA 1.906 58.374 56.400 0.114 0.000 0.810 106 E CB -0.361 29.428 29.700 0.149 0.000 0.738 106 E HN 0.425 nan 8.360 nan 0.000 0.467 107 T N 1.172 115.749 114.554 0.038 0.000 2.569 107 T HA -0.179 4.171 4.350 0.000 0.000 0.263 107 T C 1.630 176.314 174.700 -0.026 0.000 1.074 107 T CA 1.207 63.316 62.100 0.016 0.000 1.176 107 T CB -0.235 68.645 68.868 0.020 0.000 0.863 107 T HN 0.135 nan 8.240 nan 0.000 0.410 108 E N 0.121 120.283 120.200 -0.064 0.000 2.219 108 E HA -0.146 4.204 4.350 0.000 0.000 0.198 108 E C 1.872 178.382 176.600 -0.151 0.000 0.998 108 E CA 0.721 57.058 56.400 -0.105 0.000 0.818 108 E CB -0.236 29.398 29.700 -0.109 0.000 0.741 108 E HN 0.668 nan 8.360 nan 0.000 0.477 109 W N 1.889 122.953 121.300 -0.394 0.000 2.407 109 W HA -0.110 4.550 4.660 0.000 0.000 0.305 109 W C 1.530 177.940 176.519 -0.181 0.000 1.196 109 W CA 0.876 58.001 57.345 -0.368 0.000 1.311 109 W CB -0.296 28.865 29.460 -0.499 0.000 1.135 109 W HN 0.035 nan 8.180 nan 0.000 0.514 110 N N 1.290 119.981 118.700 -0.015 0.000 2.104 110 N HA -0.184 4.556 4.740 0.000 0.000 0.190 110 N C 1.719 177.131 175.510 -0.164 0.000 1.024 110 N CA 1.852 54.863 53.050 -0.065 0.000 0.853 110 N CB -0.950 37.555 38.487 0.030 0.000 1.008 110 N HN 0.266 nan 8.380 nan 0.000 0.424 111 L N 0.890 122.029 121.223 -0.139 0.000 2.784 111 L HA -0.055 4.285 4.340 0.000 0.000 0.247 111 L C 0.599 177.354 176.870 -0.190 0.000 1.162 111 L CA 0.525 55.285 54.840 -0.133 0.000 0.881 111 L CB -0.412 41.589 42.059 -0.097 0.000 1.032 111 L HN 0.084 nan 8.230 nan 0.000 0.446 112 Q N 0.108 119.724 119.800 -0.306 0.000 2.204 112 Q HA 0.478 4.818 4.340 0.000 0.000 0.254 112 Q C -0.257 175.562 176.000 -0.302 0.000 0.981 112 Q CA -0.075 55.514 55.803 -0.357 0.000 0.897 112 Q CB 2.151 30.526 28.738 -0.605 0.000 1.273 112 Q HN -0.060 nan 8.270 nan 0.000 0.464 113 T N 1.323 115.726 114.554 -0.252 0.000 3.066 113 T HA 0.701 5.051 4.350 0.000 0.000 0.318 113 T C -0.416 174.186 174.700 -0.164 0.000 0.979 113 T CA -0.416 61.575 62.100 -0.181 0.000 1.025 113 T CB 0.394 69.190 68.868 -0.121 0.000 1.002 113 T HN 0.520 nan 8.240 nan 0.000 0.453 114 L N 0.000 121.128 121.223 -0.158 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.775 54.840 -0.109 0.000 0.813 114 L CB 0.000 42.001 42.059 -0.097 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502