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 3how_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 0.000 176.283 176.300 -0.028 0.000 1.140 1 M CA 0.000 55.287 55.300 -0.021 0.000 0.988 1 M CB 0.000 32.591 32.600 -0.014 0.000 1.302 2 N N 1.793 120.472 118.700 -0.034 0.000 2.235 2 N HA 0.326 5.066 4.740 0.000 0.000 0.209 2 N C -0.135 175.337 175.510 -0.064 0.000 1.122 2 N CA 0.505 53.531 53.050 -0.040 0.000 0.845 2 N CB 0.937 39.407 38.487 -0.029 0.000 1.004 2 N HN 0.419 nan 8.380 nan 0.000 0.499 3 A N 2.855 125.633 122.820 -0.069 0.000 2.491 3 A HA 0.231 4.552 4.320 0.000 0.000 0.261 3 A C -1.588 175.935 177.584 -0.102 0.000 1.101 3 A CA -0.743 51.239 52.037 -0.091 0.000 0.772 3 A CB -0.160 18.797 19.000 -0.072 0.000 1.043 3 A HN 0.094 nan 8.150 nan 0.000 0.501 4 P HA 0.204 nan 4.420 nan 0.000 0.277 4 P C -0.769 176.406 177.300 -0.208 0.000 1.240 4 P CA -0.513 62.491 63.100 -0.159 0.000 0.798 4 P CB 0.686 32.297 31.700 -0.150 0.000 0.979 5 D N 1.843 122.051 120.400 -0.321 0.000 2.455 5 D HA 0.002 4.642 4.640 0.000 0.000 0.241 5 D C 1.639 177.631 176.300 -0.515 0.000 1.138 5 D CA -0.062 53.659 54.000 -0.466 0.000 0.877 5 D CB 0.833 41.128 40.800 -0.842 0.000 1.187 5 D HN 0.216 nan 8.370 nan 0.000 0.451 6 R N 2.309 122.645 120.500 -0.273 0.000 2.083 6 R HA -0.174 4.166 4.340 0.000 0.000 0.237 6 R C 2.031 178.244 176.300 -0.145 0.000 1.137 6 R CA 1.013 57.045 56.100 -0.113 0.000 0.951 6 R CB -0.687 29.646 30.300 0.055 0.000 0.851 6 R HN 0.598 nan 8.270 nan 0.000 0.434 7 F N 0.790 120.671 119.950 -0.115 0.000 2.664 7 F HA 0.028 4.555 4.527 0.000 0.000 0.297 7 F C 1.086 176.522 175.800 -0.605 0.000 1.164 7 F CA 0.413 58.121 58.000 -0.486 0.000 1.472 7 F CB -0.579 38.182 39.000 -0.398 0.000 1.108 7 F HN -0.039 nan 8.300 nan 0.000 0.596 8 E N 0.644 120.458 120.200 -0.644 0.000 2.502 8 E HA 0.077 4.427 4.350 0.000 0.000 0.194 8 E C 1.815 178.303 176.600 -0.188 0.000 1.062 8 E CA 0.005 56.164 56.400 -0.401 0.000 0.867 8 E CB -0.074 29.386 29.700 -0.401 0.000 0.888 8 E HN 0.575 nan 8.360 nan 0.000 0.510 9 L N -0.114 121.054 121.223 -0.093 0.000 2.492 9 L HA 0.036 4.376 4.340 0.000 0.000 0.223 9 L C 1.290 178.340 176.870 0.300 0.000 1.132 9 L CA 0.676 55.608 54.840 0.153 0.000 0.850 9 L CB -0.070 42.154 42.059 0.276 0.000 0.966 9 L HN 0.266 nan 8.230 nan 0.000 0.454 10 F N -3.143 116.851 119.950 0.075 0.000 2.974 10 F HA 0.367 4.894 4.527 0.000 0.000 0.357 10 F C 0.122 175.973 175.800 0.084 0.000 1.114 10 F CA -0.644 57.404 58.000 0.079 0.000 1.099 10 F CB 0.036 39.083 39.000 0.079 0.000 1.205 10 F HN -0.317 nan 8.300 nan 0.000 0.535 11 L N 3.536 124.652 121.223 -0.178 0.000 2.280 11 L HA 0.440 4.780 4.340 0.000 0.000 0.287 11 L C -0.580 176.279 176.870 -0.018 0.000 1.023 11 L CA -0.984 53.814 54.840 -0.069 0.000 0.819 11 L CB 1.671 43.667 42.059 -0.104 0.000 1.212 11 L HN 0.048 nan 8.230 nan 0.000 0.420 12 L N 3.229 124.456 121.223 0.006 0.000 2.513 12 L HA 0.132 4.472 4.340 0.000 0.000 0.272 12 L C 1.151 178.013 176.870 -0.013 0.000 1.187 12 L CA 0.610 55.446 54.840 -0.007 0.000 0.895 12 L CB 0.276 42.332 42.059 -0.005 0.000 1.147 12 L HN 0.609 nan 8.230 nan 0.000 0.483 13 G N 2.130 110.915 108.800 -0.025 0.000 2.467 13 G HA2 0.145 4.106 3.960 0.000 0.000 0.257 13 G HA3 0.145 4.106 3.960 0.000 0.000 0.257 13 G C -0.105 174.780 174.900 -0.024 0.000 1.227 13 G CA -0.584 44.503 45.100 -0.022 0.000 0.835 13 G HN 0.751 nan 8.290 nan 0.000 0.556 14 E N 0.653 120.841 120.200 -0.019 0.000 3.471 14 E HA 0.013 4.363 4.350 0.000 0.000 0.240 14 E C 1.282 177.866 176.600 -0.026 0.000 0.916 14 E CA 0.987 57.374 56.400 -0.021 0.000 0.943 14 E CB -0.656 29.032 29.700 -0.020 0.000 0.889 14 E HN 1.369 nan 8.360 nan 0.000 0.575 15 G N 3.564 112.349 108.800 -0.026 0.000 2.182 15 G HA2 -0.267 3.693 3.960 0.000 0.000 0.248 15 G HA3 -0.267 3.693 3.960 0.000 0.000 0.248 15 G C -0.283 174.597 174.900 -0.034 0.000 1.042 15 G CA 0.391 45.474 45.100 -0.028 0.000 0.775 15 G HN 0.599 nan 8.290 nan 0.000 0.501 16 E N -0.508 119.671 120.200 -0.036 0.000 2.299 16 E HA 0.757 5.107 4.350 0.000 0.000 0.260 16 E C -0.509 176.065 176.600 -0.044 0.000 0.944 16 E CA -0.792 55.582 56.400 -0.043 0.000 0.815 16 E CB 1.884 31.556 29.700 -0.047 0.000 1.252 16 E HN 0.158 nan 8.360 nan 0.000 0.418 17 S N 0.667 116.333 115.700 -0.056 0.000 2.548 17 S HA 0.205 4.675 4.470 0.000 0.000 0.286 17 S C 0.560 175.108 174.600 -0.087 0.000 1.098 17 S CA -0.907 57.255 58.200 -0.063 0.000 0.930 17 S CB 1.871 65.029 63.200 -0.069 0.000 1.070 17 S HN 0.369 nan 8.310 nan 0.000 0.480 18 K N 0.881 121.233 120.400 -0.081 0.000 2.034 18 K HA -0.050 4.270 4.320 0.000 0.000 0.214 18 K C 0.480 176.940 176.600 -0.235 0.000 1.051 18 K CA 1.548 57.771 56.287 -0.106 0.000 0.931 18 K CB -0.399 32.059 32.500 -0.071 0.000 0.715 18 K HN 0.548 nan 8.250 nan 0.000 0.446 19 L N 0.454 121.522 121.223 -0.259 0.000 2.330 19 L HA 0.411 4.751 4.340 0.000 0.000 0.271 19 L C 0.011 176.743 176.870 -0.229 0.000 1.013 19 L CA -0.792 53.826 54.840 -0.369 0.000 0.816 19 L CB 1.854 43.658 42.059 -0.424 0.000 1.287 19 L HN -0.075 nan 8.230 nan 0.000 0.435 20 K N 3.277 123.544 120.400 -0.222 0.000 2.565 20 K HA 0.539 4.859 4.320 0.000 0.000 0.249 20 K C -1.749 174.779 176.600 -0.119 0.000 0.958 20 K CA -0.426 55.782 56.287 -0.133 0.000 0.806 20 K CB 1.934 34.375 32.500 -0.099 0.000 1.194 20 K HN 0.586 nan 8.250 nan 0.000 0.434 21 I N 3.877 124.395 120.570 -0.087 0.000 2.355 21 I HA 0.275 4.445 4.170 0.000 0.000 0.288 21 I C -0.720 175.378 176.117 -0.031 0.000 0.999 21 I CA -0.744 60.521 61.300 -0.059 0.000 1.163 21 I CB 1.619 39.584 38.000 -0.059 0.000 1.316 21 I HN 0.410 nan 8.210 nan 0.000 0.454 22 D N 8.215 128.607 120.400 -0.013 0.000 2.498 22 D HA 0.326 4.966 4.640 0.000 0.000 0.247 22 D C -2.515 173.789 176.300 0.006 0.000 1.070 22 D CA -1.255 52.742 54.000 -0.005 0.000 0.842 22 D CB 2.592 43.391 40.800 -0.002 0.000 1.361 22 D HN 0.244 nan 8.370 nan 0.000 0.484 23 P HA 0.044 nan 4.420 nan 0.000 0.279 23 P C -0.105 177.200 177.300 0.009 0.000 1.318 23 P CA -0.344 62.760 63.100 0.007 0.000 0.819 23 P CB 0.722 32.423 31.700 0.002 0.000 0.927 24 D N 3.503 123.912 120.400 0.014 0.000 2.531 24 D HA -0.049 4.591 4.640 0.000 0.000 0.239 24 D C 0.845 177.145 176.300 -0.001 0.000 1.144 24 D CA 0.638 54.642 54.000 0.008 0.000 0.869 24 D CB 0.799 41.603 40.800 0.006 0.000 1.160 24 D HN 0.295 nan 8.370 nan 0.000 0.484 25 T N 2.245 116.797 114.554 -0.004 0.000 3.044 25 T HA -0.008 4.342 4.350 0.000 0.000 0.255 25 T C 1.689 176.382 174.700 -0.013 0.000 1.073 25 T CA -0.017 62.080 62.100 -0.007 0.000 1.125 25 T CB 0.304 69.169 68.868 -0.005 0.000 0.908 25 T HN 0.282 nan 8.240 nan 0.000 0.480 26 K N 2.035 122.424 120.400 -0.019 0.000 2.103 26 K HA 0.167 4.487 4.320 0.000 0.000 0.207 26 K C 1.155 177.735 176.600 -0.034 0.000 1.048 26 K CA 0.949 57.220 56.287 -0.028 0.000 0.930 26 K CB -0.383 32.093 32.500 -0.039 0.000 0.716 26 K HN 0.552 nan 8.250 nan 0.000 0.444 27 A N 1.434 124.233 122.820 -0.036 0.000 2.435 27 A HA 0.579 4.899 4.320 0.000 0.000 0.296 27 A C -2.605 174.969 177.584 -0.016 0.000 1.147 27 A CA -1.402 50.614 52.037 -0.035 0.000 0.775 27 A CB 1.468 20.431 19.000 -0.061 0.000 1.340 27 A HN -0.089 nan 8.150 nan 0.000 0.427 28 P HA 0.211 nan 4.420 nan 0.000 0.292 28 P C -0.615 176.692 177.300 0.012 0.000 1.283 28 P CA -0.308 62.794 63.100 0.003 0.000 0.835 28 P CB 0.925 32.629 31.700 0.007 0.000 1.017 29 N N 0.545 119.253 118.700 0.014 0.000 2.629 29 N HA -0.175 4.565 4.740 0.000 0.000 0.278 29 N C -1.185 174.338 175.510 0.023 0.000 1.102 29 N CA 1.213 54.274 53.050 0.019 0.000 0.759 29 N CB -1.160 37.344 38.487 0.028 0.000 0.911 29 N HN 0.742 nan 8.380 nan 0.000 0.553 30 A N 0.145 122.978 122.820 0.021 0.000 2.604 30 A HA 0.769 5.089 4.320 0.000 0.000 0.295 30 A C -0.862 176.743 177.584 0.036 0.000 1.067 30 A CA -0.295 51.765 52.037 0.038 0.000 0.683 30 A CB 1.960 20.981 19.000 0.035 0.000 1.281 30 A HN 0.334 nan 8.150 nan 0.000 0.407 31 V N -0.405 119.544 119.914 0.058 0.000 3.147 31 V HA 0.726 4.846 4.120 0.000 0.000 0.306 31 V C -0.792 175.354 176.094 0.086 0.000 1.209 31 V CA -0.824 61.507 62.300 0.052 0.000 1.023 31 V CB 1.845 33.687 31.823 0.032 0.000 1.059 31 V HN 0.902 nan 8.190 nan 0.000 0.435 32 V N 3.192 123.151 119.914 0.074 0.000 2.448 32 V HA 0.582 4.702 4.120 0.000 0.000 0.295 32 V C -0.524 175.619 176.094 0.082 0.000 1.025 32 V CA -0.302 62.061 62.300 0.104 0.000 0.859 32 V CB 1.565 33.443 31.823 0.091 0.000 0.988 32 V HN 0.699 nan 8.190 nan 0.000 0.431 33 I N 3.133 123.781 120.570 0.130 0.000 2.406 33 I HA 0.408 4.578 4.170 0.000 0.000 0.290 33 I C 0.165 176.330 176.117 0.081 0.000 0.999 33 I CA -0.287 61.042 61.300 0.047 0.000 1.124 33 I CB 2.046 40.062 38.000 0.025 0.000 1.289 33 I HN 0.441 nan 8.210 nan 0.000 0.441 34 T N 6.173 120.687 114.554 -0.067 0.000 2.744 34 T HA 0.457 4.807 4.350 0.000 0.000 0.291 34 T C -0.542 174.004 174.700 -0.256 0.000 0.957 34 T CA -0.085 61.980 62.100 -0.059 0.000 1.002 34 T CB 0.124 68.960 68.868 -0.053 0.000 0.919 34 T HN 0.114 nan 8.240 nan 0.000 0.468 35 F N 3.123 122.802 119.950 -0.451 0.000 2.385 35 F HA 0.357 4.884 4.527 0.000 0.000 0.360 35 F C 0.949 176.514 175.800 -0.392 0.000 1.122 35 F CA -1.037 56.647 58.000 -0.528 0.000 1.090 35 F CB 0.895 39.235 39.000 -1.099 0.000 1.150 35 F HN 0.341 nan 8.300 nan 0.000 0.472 36 E N 3.443 123.579 120.200 -0.107 0.000 2.313 36 E HA 0.194 4.545 4.350 0.000 0.000 0.272 36 E C -0.109 176.491 176.600 -0.001 0.000 1.038 36 E CA -0.502 55.866 56.400 -0.054 0.000 0.863 36 E CB 0.877 30.544 29.700 -0.057 0.000 1.060 36 E HN 0.303 nan 8.360 nan 0.000 0.402 37 K N 2.062 122.479 120.400 0.028 0.000 4.405 37 K HA -0.196 4.124 4.320 0.000 0.000 0.287 37 K C -0.251 176.427 176.600 0.129 0.000 0.905 37 K CA 0.880 57.216 56.287 0.082 0.000 0.867 37 K CB -1.034 31.511 32.500 0.076 0.000 1.652 37 K HN 0.505 nan 8.250 nan 0.000 0.435 38 E N -0.033 120.254 120.200 0.145 0.000 2.432 38 E HA 0.374 4.724 4.350 0.000 0.000 0.279 38 E C -0.165 176.602 176.600 0.279 0.000 1.099 38 E CA -0.418 56.112 56.400 0.217 0.000 0.859 38 E CB 1.616 31.457 29.700 0.235 0.000 1.402 38 E HN 0.368 nan 8.360 nan 0.000 0.451 39 D N -1.498 119.092 120.400 0.317 0.000 3.703 39 D HA 0.168 4.808 4.640 0.000 0.000 0.315 39 D C 0.936 177.252 176.300 0.026 0.000 1.464 39 D CA -0.247 53.855 54.000 0.170 0.000 0.982 39 D CB -0.004 40.843 40.800 0.078 0.000 1.391 39 D HN 0.352 nan 8.370 nan 0.000 0.625 40 H N 0.248 119.348 119.070 0.050 0.000 2.293 40 H HA -0.060 4.496 4.556 0.000 0.000 0.300 40 H C 1.681 176.996 175.328 -0.020 0.000 1.082 40 H CA 2.448 58.513 56.048 0.027 0.000 1.308 40 H CB -0.659 29.133 29.762 0.050 0.000 1.375 40 H HN 0.476 nan 8.280 nan 0.000 0.495 41 T N 1.764 116.398 114.554 0.134 0.000 2.634 41 T HA -0.251 4.099 4.350 0.000 0.000 0.256 41 T C 2.062 176.768 174.700 0.009 0.000 1.131 41 T CA 2.166 64.299 62.100 0.055 0.000 1.149 41 T CB -0.647 68.257 68.868 0.059 0.000 0.849 41 T HN 0.147 nan 8.240 nan 0.000 0.457 42 L N 0.642 121.885 121.223 0.033 0.000 2.375 42 L HA 0.392 4.733 4.340 0.000 0.000 0.215 42 L C 2.280 179.070 176.870 -0.133 0.000 1.108 42 L CA 1.528 56.377 54.840 0.015 0.000 0.830 42 L CB -0.856 41.286 42.059 0.140 0.000 0.959 42 L HN 0.275 nan 8.230 nan 0.000 0.457 43 G N -0.385 108.204 108.800 -0.352 0.000 2.456 43 G HA2 -0.284 3.676 3.960 0.000 0.000 0.213 43 G HA3 -0.284 3.676 3.960 0.000 0.000 0.213 43 G C 1.372 175.841 174.900 -0.719 0.000 1.215 43 G CA 0.612 45.282 45.100 -0.717 0.000 0.805 43 G HN 0.460 nan 8.290 nan 0.000 0.537 44 N N 0.011 118.233 118.700 -0.797 0.000 2.184 44 N HA -0.142 4.598 4.740 0.000 0.000 0.190 44 N C 1.999 177.226 175.510 -0.472 0.000 1.011 44 N CA 1.236 53.782 53.050 -0.840 0.000 0.867 44 N CB -0.248 37.989 38.487 -0.416 0.000 0.993 44 N HN 0.251 nan 8.380 nan 0.000 0.433 45 L N 0.413 121.450 121.223 -0.310 0.000 2.007 45 L HA 0.155 4.495 4.340 0.000 0.000 0.205 45 L C 1.929 178.693 176.870 -0.176 0.000 1.073 45 L CA 1.393 56.117 54.840 -0.192 0.000 0.744 45 L CB -0.615 41.374 42.059 -0.117 0.000 0.898 45 L HN 0.245 nan 8.230 nan 0.000 0.435 46 I N -0.566 119.900 120.570 -0.173 0.000 2.567 46 I HA -0.214 3.956 4.170 0.000 0.000 0.257 46 I C 2.506 178.539 176.117 -0.140 0.000 1.184 46 I CA 0.590 61.825 61.300 -0.108 0.000 1.451 46 I CB -0.487 37.479 38.000 -0.057 0.000 1.089 46 I HN 0.324 nan 8.210 nan 0.000 0.441 47 R N 1.596 121.939 120.500 -0.262 0.000 2.093 47 R HA -0.033 4.308 4.340 0.000 0.000 0.224 47 R C 2.186 178.357 176.300 -0.216 0.000 1.101 47 R CA 1.487 57.427 56.100 -0.267 0.000 0.979 47 R CB -0.247 29.778 30.300 -0.458 0.000 0.877 47 R HN 0.321 nan 8.270 nan 0.000 0.441 48 A N 1.574 124.264 122.820 -0.216 0.000 1.825 48 A HA -0.120 4.200 4.320 0.000 0.000 0.214 48 A C 1.961 179.483 177.584 -0.103 0.000 1.206 48 A CA 1.243 53.186 52.037 -0.157 0.000 0.609 48 A CB -0.667 18.244 19.000 -0.149 0.000 0.851 48 A HN 0.264 nan 8.150 nan 0.000 0.445 49 E N -0.172 119.979 120.200 -0.082 0.000 2.147 49 E HA -0.212 4.138 4.350 0.000 0.000 0.199 49 E C 1.918 178.498 176.600 -0.032 0.000 1.005 49 E CA 1.020 57.393 56.400 -0.045 0.000 0.810 49 E CB -0.513 29.170 29.700 -0.029 0.000 0.736 49 E HN 0.608 nan 8.360 nan 0.000 0.460 50 L N 0.232 121.429 121.223 -0.044 0.000 2.265 50 L HA -0.133 4.207 4.340 0.000 0.000 0.215 50 L C 1.703 178.550 176.870 -0.039 0.000 1.117 50 L CA 0.348 55.171 54.840 -0.029 0.000 0.782 50 L CB 0.042 42.077 42.059 -0.040 0.000 0.914 50 L HN 0.111 nan 8.230 nan 0.000 0.441 51 L N 0.098 121.282 121.223 -0.066 0.000 2.645 51 L HA 0.032 4.372 4.340 0.000 0.000 0.234 51 L C 1.150 177.999 176.870 -0.035 0.000 1.165 51 L CA 0.821 55.620 54.840 -0.068 0.000 0.944 51 L CB -1.067 40.932 42.059 -0.099 0.000 1.149 51 L HN 0.348 nan 8.230 nan 0.000 0.446 52 N N -1.226 117.465 118.700 -0.014 0.000 2.564 52 N HA -0.023 4.717 4.740 0.000 0.000 0.202 52 N C 0.468 175.991 175.510 0.022 0.000 1.052 52 N CA -0.032 53.018 53.050 -0.001 0.000 0.872 52 N CB 0.274 38.759 38.487 -0.004 0.000 1.303 52 N HN 0.162 nan 8.380 nan 0.000 0.440 53 D N 2.886 123.313 120.400 0.045 0.000 2.422 53 D HA -0.082 4.558 4.640 0.000 0.000 0.283 53 D C 0.657 177.011 176.300 0.089 0.000 1.428 53 D CA 0.075 54.127 54.000 0.088 0.000 1.117 53 D CB 0.327 41.222 40.800 0.157 0.000 1.120 53 D HN -0.075 nan 8.370 nan 0.000 0.543 54 R N 2.693 123.225 120.500 0.054 0.000 2.397 54 R HA -0.111 4.229 4.340 0.000 0.000 0.213 54 R C 1.057 177.400 176.300 0.073 0.000 1.102 54 R CA 0.462 56.591 56.100 0.048 0.000 1.040 54 R CB -0.093 30.221 30.300 0.023 0.000 0.844 54 R HN 0.442 nan 8.270 nan 0.000 0.478 55 K N -0.120 120.353 120.400 0.123 0.000 2.417 55 K HA 0.141 4.461 4.320 0.000 0.000 0.196 55 K C -0.172 176.599 176.600 0.285 0.000 1.023 55 K CA 0.038 56.444 56.287 0.198 0.000 1.122 55 K CB 0.889 33.476 32.500 0.144 0.000 0.850 55 K HN -0.172 nan 8.250 nan 0.000 0.521 56 V N 2.254 122.274 119.914 0.177 0.000 2.313 56 V HA 0.140 4.260 4.120 0.000 0.000 0.278 56 V C 0.804 176.956 176.094 0.097 0.000 1.017 56 V CA -0.309 62.063 62.300 0.120 0.000 0.823 56 V CB 1.249 33.116 31.823 0.073 0.000 1.010 56 V HN 0.259 nan 8.190 nan 0.000 0.443 57 L N 4.769 126.065 121.223 0.122 0.000 2.478 57 L HA 0.289 4.629 4.340 0.000 0.000 0.223 57 L C 0.151 177.159 176.870 0.229 0.000 1.140 57 L CA 1.031 55.956 54.840 0.142 0.000 0.842 57 L CB -0.023 42.116 42.059 0.133 0.000 0.953 57 L HN 0.572 nan 8.230 nan 0.000 0.452 58 F N -0.364 119.604 119.950 0.030 0.000 2.704 58 F HA 0.580 5.107 4.527 0.000 0.000 0.312 58 F C -1.705 174.113 175.800 0.030 0.000 1.108 58 F CA -0.857 57.160 58.000 0.028 0.000 1.005 58 F CB 0.974 39.991 39.000 0.029 0.000 1.277 58 F HN -0.332 nan 8.300 nan 0.000 0.445 59 A N 3.716 125.810 122.820 -1.209 0.000 2.518 59 A HA 0.910 5.230 4.320 0.000 0.000 0.295 59 A C -1.849 175.286 177.584 -0.749 0.000 1.052 59 A CA 0.153 51.767 52.037 -0.706 0.000 0.824 59 A CB 0.677 19.500 19.000 -0.294 0.000 1.325 59 A HN 2.055 nan 8.150 nan 0.000 0.394 60 A N 1.533 124.112 122.820 -0.401 0.000 2.588 60 A HA 1.015 5.336 4.320 0.000 0.000 0.290 60 A C -1.025 176.652 177.584 0.156 0.000 1.136 60 A CA -0.145 51.823 52.037 -0.115 0.000 0.681 60 A CB 0.981 19.987 19.000 0.010 0.000 1.282 60 A HN 2.205 nan 8.150 nan 0.000 0.421 61 Y N -0.473 119.813 120.300 -0.023 0.000 2.689 61 Y HA 0.829 5.379 4.550 0.000 0.000 0.333 61 Y C -1.094 174.819 175.900 0.021 0.000 1.190 61 Y CA -0.999 57.102 58.100 0.001 0.000 1.063 61 Y CB 1.681 40.039 38.460 -0.169 0.000 1.294 61 Y HN 0.973 nan 8.280 nan 0.000 0.466 62 K N 0.554 120.737 120.400 -0.362 0.000 2.610 62 K HA 0.489 4.810 4.320 0.000 0.000 0.267 62 K C -2.110 174.325 176.600 -0.276 0.000 0.943 62 K CA -0.908 55.144 56.287 -0.390 0.000 0.862 62 K CB 2.026 34.478 32.500 -0.080 0.000 1.376 62 K HN 0.868 nan 8.250 nan 0.000 0.412 63 V N 0.477 120.215 119.914 -0.293 0.000 2.304 63 V HA 0.262 4.382 4.120 0.000 0.000 0.269 63 V C 1.177 177.232 176.094 -0.066 0.000 1.036 63 V CA -0.440 61.765 62.300 -0.158 0.000 0.840 63 V CB 0.963 32.619 31.823 -0.277 0.000 1.036 63 V HN 0.895 nan 8.190 nan 0.000 0.466 64 E N 2.574 122.776 120.200 0.004 0.000 2.136 64 E HA -0.248 4.102 4.350 0.000 0.000 0.208 64 E C 0.529 177.135 176.600 0.009 0.000 1.035 64 E CA 2.626 59.038 56.400 0.021 0.000 0.838 64 E CB -0.054 29.687 29.700 0.068 0.000 0.748 64 E HN 1.044 nan 8.360 nan 0.000 0.459 65 H N -2.171 116.813 119.070 -0.143 0.000 3.112 65 H HA 0.096 4.652 4.556 0.000 0.000 0.347 65 H C -2.118 173.093 175.328 -0.196 0.000 1.188 65 H CA -0.969 54.925 56.048 -0.257 0.000 1.240 65 H CB 2.090 31.568 29.762 -0.473 0.000 1.920 65 H HN -0.250 nan 8.280 nan 0.000 0.535 66 P HA -0.191 nan 4.420 nan 0.000 0.216 66 P C 1.353 178.847 177.300 0.322 0.000 1.150 66 P CA 1.380 64.472 63.100 -0.014 0.000 0.837 66 P CB 0.039 31.681 31.700 -0.097 0.000 0.786 67 F N -0.770 119.363 119.950 0.304 0.000 2.184 67 F HA -0.121 4.407 4.527 0.000 0.000 0.301 67 F C 1.291 177.364 175.800 0.454 0.000 1.076 67 F CA 0.226 58.356 58.000 0.216 0.000 1.295 67 F CB -0.400 38.559 39.000 -0.067 0.000 1.026 67 F HN -0.171 nan 8.300 nan 0.000 0.494 68 F N 0.141 120.276 119.950 0.309 0.000 2.411 68 F HA 0.484 5.011 4.527 0.000 0.000 0.352 68 F C 0.365 176.228 175.800 0.106 0.000 1.123 68 F CA -1.468 56.620 58.000 0.148 0.000 1.044 68 F CB 1.015 40.075 39.000 0.099 0.000 1.135 68 F HN -0.327 nan 8.300 nan 0.000 0.461 69 A N 6.134 129.109 122.820 0.259 0.000 2.639 69 A HA 0.447 4.767 4.320 0.000 0.000 0.295 69 A C 0.119 177.789 177.584 0.142 0.000 1.443 69 A CA -0.031 52.110 52.037 0.174 0.000 1.117 69 A CB -0.565 18.523 19.000 0.146 0.000 1.098 69 A HN 0.970 nan 8.150 nan 0.000 0.552 70 R N 0.731 121.321 120.500 0.149 0.000 2.825 70 R HA 0.606 4.946 4.340 0.000 0.000 0.274 70 R C -1.315 175.069 176.300 0.139 0.000 1.026 70 R CA -0.783 55.367 56.100 0.082 0.000 0.867 70 R CB 0.494 30.829 30.300 0.059 0.000 1.268 70 R HN 0.917 nan 8.270 nan 0.000 0.491 71 F N -1.014 118.974 119.950 0.063 0.000 2.686 71 F HA 0.675 5.202 4.527 0.000 0.000 0.311 71 F C -1.604 174.266 175.800 0.116 0.000 1.128 71 F CA -1.251 56.743 58.000 -0.011 0.000 0.946 71 F CB 1.827 40.718 39.000 -0.183 0.000 1.336 71 F HN 0.448 nan 8.300 nan 0.000 0.457 72 K N 1.960 122.597 120.400 0.395 0.000 2.244 72 K HA 0.650 4.970 4.320 0.000 0.000 0.260 72 K C -1.837 175.041 176.600 0.462 0.000 0.951 72 K CA -0.930 55.568 56.287 0.351 0.000 0.826 72 K CB 2.553 35.173 32.500 0.200 0.000 1.108 72 K HN 0.696 nan 8.250 nan 0.000 0.433 73 L N 3.133 124.660 121.223 0.506 0.000 2.305 73 L HA 0.387 4.727 4.340 0.000 0.000 0.284 73 L C -0.662 176.400 176.870 0.320 0.000 1.013 73 L CA -0.327 54.780 54.840 0.446 0.000 0.819 73 L CB 1.197 43.593 42.059 0.561 0.000 1.227 73 L HN 0.540 nan 8.230 nan 0.000 0.417 74 R N 5.778 126.452 120.500 0.289 0.000 2.338 74 R HA 0.706 5.046 4.340 0.000 0.000 0.317 74 R C -1.475 175.005 176.300 0.300 0.000 0.968 74 R CA -0.477 55.802 56.100 0.299 0.000 0.849 74 R CB 0.802 31.330 30.300 0.380 0.000 1.128 74 R HN 0.753 nan 8.270 nan 0.000 0.448 75 I N 3.855 124.567 120.570 0.236 0.000 2.466 75 I HA 0.239 4.409 4.170 0.000 0.000 0.289 75 I C -0.791 175.430 176.117 0.174 0.000 1.026 75 I CA -0.784 60.623 61.300 0.178 0.000 1.078 75 I CB 2.197 40.251 38.000 0.089 0.000 1.249 75 I HN 0.578 nan 8.210 nan 0.000 0.429 76 Q N 5.617 125.546 119.800 0.215 0.000 2.325 76 Q HA 0.615 4.955 4.340 0.000 0.000 0.270 76 Q C -1.036 175.028 176.000 0.106 0.000 1.020 76 Q CA -0.512 55.386 55.803 0.159 0.000 0.785 76 Q CB 1.959 30.824 28.738 0.212 0.000 1.259 76 Q HN 0.779 nan 8.270 nan 0.000 0.452 77 T N 0.125 114.711 114.554 0.053 0.000 2.930 77 T HA 0.541 4.891 4.350 0.000 0.000 0.290 77 T C 0.134 174.899 174.700 0.108 0.000 1.052 77 T CA -0.701 61.435 62.100 0.061 0.000 1.017 77 T CB 1.447 70.260 68.868 -0.092 0.000 1.137 77 T HN 0.531 nan 8.240 nan 0.000 0.511 78 T N 1.706 116.369 114.554 0.180 0.000 2.791 78 T HA 0.186 4.536 4.350 0.000 0.000 0.323 78 T C 0.485 175.269 174.700 0.141 0.000 1.082 78 T CA -0.281 61.910 62.100 0.152 0.000 1.084 78 T CB 0.177 69.140 68.868 0.160 0.000 0.992 78 T HN 0.819 nan 8.240 nan 0.000 0.547 79 E N -0.024 120.234 120.200 0.098 0.000 2.422 79 E HA 0.341 4.691 4.350 0.000 0.000 0.260 79 E C 1.512 178.175 176.600 0.105 0.000 1.108 79 E CA 1.143 57.593 56.400 0.082 0.000 0.943 79 E CB -0.374 29.359 29.700 0.055 0.000 0.961 79 E HN 0.805 nan 8.360 nan 0.000 0.443 80 G N 2.143 110.997 108.800 0.091 0.000 2.382 80 G HA2 -0.364 3.596 3.960 0.000 0.000 0.259 80 G HA3 -0.364 3.596 3.960 0.000 0.000 0.259 80 G C 0.196 175.194 174.900 0.165 0.000 1.009 80 G CA 0.892 46.051 45.100 0.097 0.000 0.625 80 G HN 0.619 nan 8.290 nan 0.000 0.541 81 Y N 2.196 122.508 120.300 0.021 0.000 2.350 81 Y HA 0.486 5.036 4.550 0.000 0.000 0.340 81 Y C -0.121 175.795 175.900 0.027 0.000 1.006 81 Y CA -0.924 57.190 58.100 0.023 0.000 1.166 81 Y CB 0.856 39.331 38.460 0.025 0.000 1.168 81 Y HN 0.210 nan 8.280 nan 0.000 0.502 82 D N 8.854 129.273 120.400 0.033 0.000 2.225 82 D HA 0.123 4.763 4.640 0.000 0.000 0.248 82 D C -1.885 174.211 176.300 -0.340 0.000 1.096 82 D CA -2.146 51.788 54.000 -0.109 0.000 0.863 82 D CB 2.289 43.077 40.800 -0.021 0.000 1.156 82 D HN 0.356 nan 8.370 nan 0.000 0.450 83 P HA -0.167 nan 4.420 nan 0.000 0.216 83 P C 1.013 178.216 177.300 -0.161 0.000 1.153 83 P CA 1.093 64.038 63.100 -0.259 0.000 0.848 83 P CB 0.438 32.070 31.700 -0.114 0.000 0.787 84 K N -0.349 119.996 120.400 -0.090 0.000 2.127 84 K HA -0.180 4.140 4.320 0.000 0.000 0.208 84 K C 1.914 178.490 176.600 -0.040 0.000 1.047 84 K CA 1.700 57.960 56.287 -0.044 0.000 0.927 84 K CB -0.461 32.022 32.500 -0.028 0.000 0.716 84 K HN 0.224 nan 8.250 nan 0.000 0.450 85 D N 0.322 120.681 120.400 -0.067 0.000 2.103 85 D HA -0.064 4.576 4.640 0.000 0.000 0.199 85 D C 1.979 178.269 176.300 -0.017 0.000 0.978 85 D CA 1.113 55.109 54.000 -0.007 0.000 0.829 85 D CB -0.117 40.726 40.800 0.071 0.000 0.981 85 D HN 0.163 nan 8.370 nan 0.000 0.464 86 A N 1.383 124.080 122.820 -0.205 0.000 1.958 86 A HA -0.218 4.102 4.320 0.000 0.000 0.221 86 A C 2.170 179.752 177.584 -0.002 0.000 1.178 86 A CA 1.365 53.319 52.037 -0.138 0.000 0.642 86 A CB -0.734 18.053 19.000 -0.354 0.000 0.816 86 A HN 0.269 nan 8.150 nan 0.000 0.453 87 L N -0.384 120.835 121.223 -0.007 0.000 2.027 87 L HA -0.103 4.237 4.340 0.000 0.000 0.206 87 L C 2.152 179.058 176.870 0.060 0.000 1.074 87 L CA 2.268 57.137 54.840 0.049 0.000 0.745 87 L CB -0.768 41.335 42.059 0.073 0.000 0.898 87 L HN 0.339 nan 8.230 nan 0.000 0.433 88 K N 0.150 120.579 120.400 0.049 0.000 2.000 88 K HA -0.229 4.091 4.320 0.000 0.000 0.218 88 K C 1.863 178.500 176.600 0.061 0.000 1.053 88 K CA 2.079 58.399 56.287 0.054 0.000 0.946 88 K CB -0.571 31.959 32.500 0.049 0.000 0.723 88 K HN 0.572 nan 8.250 nan 0.000 0.446 89 N N 1.089 119.833 118.700 0.073 0.000 2.025 89 N HA -0.183 4.557 4.740 0.000 0.000 0.194 89 N C 1.970 177.516 175.510 0.060 0.000 1.044 89 N CA 1.441 54.535 53.050 0.073 0.000 0.851 89 N CB -0.599 37.949 38.487 0.102 0.000 1.036 89 N HN 0.195 nan 8.380 nan 0.000 0.422 90 A N 1.116 123.974 122.820 0.063 0.000 2.054 90 A HA -0.205 4.115 4.320 0.000 0.000 0.223 90 A C 2.654 180.262 177.584 0.039 0.000 1.169 90 A CA 1.537 53.601 52.037 0.046 0.000 0.655 90 A CB -1.058 17.966 19.000 0.041 0.000 0.812 90 A HN 0.505 nan 8.150 nan 0.000 0.462 91 C N -0.955 118.375 119.300 0.051 0.000 2.587 91 C HA -0.037 4.423 4.460 0.000 0.000 0.282 91 C C 2.638 177.652 174.990 0.039 0.000 1.277 91 C CA 0.758 59.807 59.018 0.051 0.000 1.702 91 C CB -1.380 26.401 27.740 0.067 0.000 2.113 91 C HN 0.685 nan 8.230 nan 0.000 0.490 92 N N 1.133 119.857 118.700 0.040 0.000 2.049 92 N HA -0.205 4.535 4.740 0.000 0.000 0.198 92 N C 1.899 177.425 175.510 0.026 0.000 1.030 92 N CA 2.003 55.073 53.050 0.033 0.000 0.870 92 N CB -0.834 37.673 38.487 0.034 0.000 1.045 92 N HN 0.526 nan 8.380 nan 0.000 0.434 93 S N 1.017 116.733 115.700 0.027 0.000 2.378 93 S HA -0.154 4.316 4.470 0.000 0.000 0.229 93 S C 2.087 176.695 174.600 0.013 0.000 1.052 93 S CA 1.126 59.338 58.200 0.020 0.000 1.084 93 S CB -0.320 62.892 63.200 0.020 0.000 0.950 93 S HN 0.274 nan 8.310 nan 0.000 0.440 94 I N 0.935 121.513 120.570 0.013 0.000 2.179 94 I HA -0.194 3.976 4.170 0.000 0.000 0.242 94 I C 2.288 178.410 176.117 0.008 0.000 1.088 94 I CA 1.473 62.776 61.300 0.006 0.000 1.357 94 I CB -0.517 37.487 38.000 0.006 0.000 1.051 94 I HN 0.376 nan 8.210 nan 0.000 0.409 95 I N 0.785 121.365 120.570 0.016 0.000 2.058 95 I HA -0.362 3.808 4.170 0.000 0.000 0.235 95 I C 2.371 178.496 176.117 0.013 0.000 1.053 95 I CA 1.544 62.853 61.300 0.015 0.000 1.313 95 I CB -0.805 37.208 38.000 0.021 0.000 1.039 95 I HN 0.300 nan 8.210 nan 0.000 0.396 96 N N 1.366 120.075 118.700 0.015 0.000 2.073 96 N HA -0.258 4.482 4.740 0.000 0.000 0.199 96 N C 1.715 177.233 175.510 0.013 0.000 1.023 96 N CA 1.806 54.865 53.050 0.015 0.000 0.880 96 N CB -0.499 37.998 38.487 0.015 0.000 1.052 96 N HN 0.423 nan 8.380 nan 0.000 0.449 97 K N 0.729 121.135 120.400 0.010 0.000 2.032 97 K HA -0.081 4.239 4.320 0.000 0.000 0.209 97 K C 2.297 178.902 176.600 0.008 0.000 1.048 97 K CA 0.938 57.230 56.287 0.008 0.000 0.927 97 K CB -0.325 32.177 32.500 0.002 0.000 0.712 97 K HN 0.179 nan 8.250 nan 0.000 0.441 98 L N 0.261 121.486 121.223 0.004 0.000 2.046 98 L HA -0.136 4.204 4.340 0.000 0.000 0.208 98 L C 2.626 179.501 176.870 0.007 0.000 1.077 98 L CA 1.354 56.194 54.840 -0.001 0.000 0.747 98 L CB -1.032 41.023 42.059 -0.007 0.000 0.896 98 L HN 0.384 nan 8.230 nan 0.000 0.432 99 G N -0.133 108.674 108.800 0.011 0.000 2.476 99 G HA2 -0.316 3.644 3.960 0.000 0.000 0.218 99 G HA3 -0.316 3.644 3.960 0.000 0.000 0.218 99 G C 1.764 176.679 174.900 0.025 0.000 1.164 99 G CA 1.026 46.136 45.100 0.017 0.000 0.768 99 G HN 0.482 nan 8.290 nan 0.000 0.560 100 A N 0.575 123.410 122.820 0.025 0.000 1.858 100 A HA 0.037 4.357 4.320 0.000 0.000 0.216 100 A C 2.410 180.021 177.584 0.045 0.000 1.190 100 A CA 1.524 53.580 52.037 0.032 0.000 0.617 100 A CB -0.687 18.329 19.000 0.026 0.000 0.827 100 A HN 0.409 nan 8.150 nan 0.000 0.443 101 L N -0.528 120.719 121.223 0.040 0.000 2.263 101 L HA -0.245 4.095 4.340 0.000 0.000 0.216 101 L C 2.503 179.422 176.870 0.081 0.000 1.111 101 L CA 2.184 57.057 54.840 0.055 0.000 0.773 101 L CB -0.233 41.841 42.059 0.026 0.000 0.906 101 L HN 0.595 nan 8.230 nan 0.000 0.439 102 K N -0.644 119.792 120.400 0.059 0.000 1.980 102 K HA -0.167 4.153 4.320 0.000 0.000 0.208 102 K C 1.994 178.664 176.600 0.118 0.000 1.043 102 K CA 1.970 58.300 56.287 0.072 0.000 0.938 102 K CB -0.303 32.218 32.500 0.036 0.000 0.724 102 K HN 0.435 nan 8.250 nan 0.000 0.438 103 T N 0.525 115.129 114.554 0.083 0.000 2.597 103 T HA -0.201 4.149 4.350 0.000 0.000 0.267 103 T C 1.682 176.440 174.700 0.097 0.000 1.053 103 T CA 1.909 64.057 62.100 0.080 0.000 1.165 103 T CB -1.038 67.862 68.868 0.053 0.000 0.863 103 T HN 0.261 nan 8.240 nan 0.000 0.427 104 N N 1.158 119.915 118.700 0.094 0.000 2.132 104 N HA -0.065 4.675 4.740 0.000 0.000 0.191 104 N C 1.352 176.937 175.510 0.124 0.000 1.015 104 N CA 1.251 54.356 53.050 0.092 0.000 0.864 104 N CB -0.733 37.806 38.487 0.086 0.000 1.006 104 N HN 0.543 nan 8.380 nan 0.000 0.430 105 F N 1.432 121.408 119.950 0.043 0.000 2.206 105 F HA 0.003 4.530 4.527 0.000 0.000 0.298 105 F C 1.970 177.834 175.800 0.107 0.000 1.090 105 F CA 1.051 59.088 58.000 0.062 0.000 1.323 105 F CB -0.019 38.996 39.000 0.025 0.000 1.028 105 F HN 0.035 nan 8.300 nan 0.000 0.492 106 E N -0.517 119.781 120.200 0.164 0.000 2.047 106 E HA -0.178 4.172 4.350 0.000 0.000 0.191 106 E C 2.142 178.780 176.600 0.064 0.000 0.987 106 E CA 1.675 58.147 56.400 0.120 0.000 0.799 106 E CB -0.464 29.316 29.700 0.134 0.000 0.752 106 E HN 0.300 nan 8.360 nan 0.000 0.449 107 T N 1.095 115.673 114.554 0.040 0.000 2.544 107 T HA -0.221 4.129 4.350 0.000 0.000 0.264 107 T C 1.695 176.381 174.700 -0.024 0.000 1.096 107 T CA 1.491 63.599 62.100 0.014 0.000 1.181 107 T CB -0.260 68.617 68.868 0.015 0.000 0.864 107 T HN 0.130 nan 8.240 nan 0.000 0.415 108 E N -0.018 120.147 120.200 -0.059 0.000 2.130 108 E HA -0.164 4.186 4.350 0.000 0.000 0.196 108 E C 1.912 178.430 176.600 -0.136 0.000 0.998 108 E CA 1.004 57.342 56.400 -0.103 0.000 0.806 108 E CB -0.369 29.257 29.700 -0.124 0.000 0.738 108 E HN 0.690 nan 8.360 nan 0.000 0.459 109 W N 1.905 122.986 121.300 -0.365 0.000 2.379 109 W HA -0.156 4.504 4.660 0.000 0.000 0.307 109 W C 1.506 177.928 176.519 -0.161 0.000 1.200 109 W CA 1.117 58.266 57.345 -0.326 0.000 1.297 109 W CB -0.287 28.928 29.460 -0.410 0.000 1.140 109 W HN 0.059 nan 8.180 nan 0.000 0.507 110 N N 1.367 120.048 118.700 -0.033 0.000 2.149 110 N HA -0.179 4.561 4.740 0.000 0.000 0.188 110 N C 1.540 176.950 175.510 -0.168 0.000 1.019 110 N CA 1.817 54.817 53.050 -0.083 0.000 0.857 110 N CB -0.967 37.528 38.487 0.012 0.000 0.997 110 N HN 0.290 nan 8.380 nan 0.000 0.426 111 L N 0.739 121.874 121.223 -0.146 0.000 2.801 111 L HA 0.105 4.445 4.340 0.000 0.000 0.250 111 L C 0.426 177.179 176.870 -0.196 0.000 1.222 111 L CA 0.288 55.045 54.840 -0.137 0.000 1.054 111 L CB -0.481 41.521 42.059 -0.095 0.000 1.330 111 L HN -0.005 nan 8.230 nan 0.000 0.426 112 Q N 0.345 119.960 119.800 -0.308 0.000 2.495 112 Q HA 0.664 5.004 4.340 0.000 0.000 0.283 112 Q C -0.341 175.457 176.000 -0.338 0.000 1.097 112 Q CA -0.321 55.258 55.803 -0.373 0.000 0.836 112 Q CB 2.634 30.994 28.738 -0.629 0.000 1.426 112 Q HN 0.102 nan 8.270 nan 0.000 0.459 113 T N -0.224 114.152 114.554 -0.297 0.000 2.903 113 T HA 0.764 5.114 4.350 0.000 0.000 0.299 113 T C -0.206 174.371 174.700 -0.207 0.000 1.093 113 T CA -0.680 61.290 62.100 -0.217 0.000 1.002 113 T CB 1.600 70.385 68.868 -0.137 0.000 1.127 113 T HN 0.602 nan 8.240 nan 0.000 0.488 114 L N 0.000 121.135 121.223 -0.146 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.785 54.840 -0.092 0.000 0.813 114 L CB 0.000 42.013 42.059 -0.077 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502