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 3hox_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 0.000 176.285 176.300 -0.025 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 1 M CB 0.000 32.593 32.600 -0.011 0.000 1.302 2 N N 1.908 120.591 118.700 -0.027 0.000 2.276 2 N HA 0.321 5.061 4.740 0.000 0.000 0.212 2 N C -0.167 175.311 175.510 -0.054 0.000 1.127 2 N CA 0.429 53.461 53.050 -0.029 0.000 0.834 2 N CB 0.956 39.437 38.487 -0.010 0.000 1.014 2 N HN 0.390 nan 8.380 nan 0.000 0.491 3 A N 2.620 125.400 122.820 -0.066 0.000 2.454 3 A HA 0.311 4.631 4.320 0.000 0.000 0.260 3 A C -1.362 176.154 177.584 -0.114 0.000 1.106 3 A CA -0.835 51.144 52.037 -0.095 0.000 0.780 3 A CB 0.067 19.019 19.000 -0.081 0.000 1.044 3 A HN 0.108 nan 8.150 nan 0.000 0.498 4 P HA 0.213 nan 4.420 nan 0.000 0.275 4 P C -0.970 176.178 177.300 -0.253 0.000 1.270 4 P CA -0.401 62.582 63.100 -0.195 0.000 0.791 4 P CB 0.562 32.139 31.700 -0.204 0.000 1.089 5 D N 0.846 121.002 120.400 -0.408 0.000 2.347 5 D HA 0.099 4.739 4.640 0.000 0.000 0.235 5 D C 1.518 177.411 176.300 -0.679 0.000 1.149 5 D CA -0.354 53.298 54.000 -0.581 0.000 0.850 5 D CB 0.720 40.966 40.800 -0.922 0.000 1.061 5 D HN 0.163 nan 8.370 nan 0.000 0.487 6 R N 2.267 122.566 120.500 -0.334 0.000 2.227 6 R HA -0.246 4.094 4.340 0.000 0.000 0.259 6 R C 1.951 178.114 176.300 -0.228 0.000 1.139 6 R CA 1.472 57.464 56.100 -0.180 0.000 0.969 6 R CB -0.909 29.385 30.300 -0.010 0.000 0.903 6 R HN 0.605 nan 8.270 nan 0.000 0.452 7 F N 0.508 120.331 119.950 -0.212 0.000 2.451 7 F HA 0.010 4.537 4.527 0.000 0.000 0.299 7 F C 1.406 176.739 175.800 -0.779 0.000 1.101 7 F CA 0.650 58.272 58.000 -0.631 0.000 1.436 7 F CB -0.812 37.925 39.000 -0.439 0.000 1.074 7 F HN -0.002 nan 8.300 nan 0.000 0.553 8 E N 0.878 120.610 120.200 -0.781 0.000 2.510 8 E HA -0.074 4.276 4.350 0.000 0.000 0.202 8 E C 1.930 178.371 176.600 -0.266 0.000 1.072 8 E CA 0.382 56.521 56.400 -0.436 0.000 0.883 8 E CB -0.326 29.090 29.700 -0.473 0.000 0.818 8 E HN 0.552 nan 8.360 nan 0.000 0.548 9 L N -0.325 120.746 121.223 -0.254 0.000 2.291 9 L HA -0.088 4.252 4.340 0.000 0.000 0.214 9 L C 1.427 178.393 176.870 0.160 0.000 1.120 9 L CA 0.863 55.711 54.840 0.013 0.000 0.799 9 L CB 0.032 42.199 42.059 0.181 0.000 0.925 9 L HN 0.307 nan 8.230 nan 0.000 0.446 10 F N -3.812 116.189 119.950 0.086 0.000 2.975 10 F HA 0.344 4.871 4.527 0.000 0.000 0.366 10 F C 0.131 175.985 175.800 0.090 0.000 1.071 10 F CA -0.741 57.310 58.000 0.084 0.000 1.102 10 F CB -0.228 38.819 39.000 0.078 0.000 1.176 10 F HN -0.336 nan 8.300 nan 0.000 0.545 11 L N 3.496 124.644 121.223 -0.125 0.000 2.270 11 L HA 0.349 4.689 4.340 0.000 0.000 0.286 11 L C -0.304 176.578 176.870 0.021 0.000 1.059 11 L CA -0.994 53.844 54.840 -0.003 0.000 0.839 11 L CB 1.162 43.184 42.059 -0.063 0.000 1.221 11 L HN 0.082 nan 8.230 nan 0.000 0.431 12 L N 3.825 125.071 121.223 0.039 0.000 2.825 12 L HA 0.010 4.350 4.340 0.000 0.000 0.278 12 L C 1.170 178.043 176.870 0.006 0.000 1.125 12 L CA 0.640 55.491 54.840 0.018 0.000 1.023 12 L CB -0.102 41.968 42.059 0.018 0.000 1.377 12 L HN 0.588 nan 8.230 nan 0.000 0.471 13 G N 3.983 112.782 108.800 -0.002 0.000 2.491 13 G HA2 0.017 3.977 3.960 0.000 0.000 0.238 13 G HA3 0.017 3.977 3.960 0.000 0.000 0.238 13 G C -0.095 174.799 174.900 -0.010 0.000 1.277 13 G CA -0.549 44.551 45.100 -0.001 0.000 0.851 13 G HN 0.773 nan 8.290 nan 0.000 0.573 14 E N 0.653 120.848 120.200 -0.008 0.000 3.495 14 E HA -0.037 4.313 4.350 0.000 0.000 0.272 14 E C 1.376 177.967 176.600 -0.016 0.000 0.845 14 E CA 1.010 57.402 56.400 -0.012 0.000 0.974 14 E CB -0.363 29.330 29.700 -0.012 0.000 0.919 14 E HN 1.445 nan 8.360 nan 0.000 0.556 15 G N 3.676 112.467 108.800 -0.016 0.000 2.249 15 G HA2 -0.303 3.657 3.960 0.000 0.000 0.273 15 G HA3 -0.303 3.657 3.960 0.000 0.000 0.273 15 G C -0.196 174.691 174.900 -0.022 0.000 1.036 15 G CA 0.757 45.846 45.100 -0.018 0.000 0.824 15 G HN 0.618 nan 8.290 nan 0.000 0.504 16 E N -0.686 119.500 120.200 -0.022 0.000 2.281 16 E HA 0.712 5.062 4.350 0.000 0.000 0.262 16 E C -0.645 175.937 176.600 -0.030 0.000 0.933 16 E CA -0.759 55.625 56.400 -0.027 0.000 0.809 16 E CB 1.810 31.494 29.700 -0.027 0.000 1.242 16 E HN 0.135 nan 8.360 nan 0.000 0.418 17 S N 1.511 117.185 115.700 -0.042 0.000 2.672 17 S HA 0.147 4.617 4.470 0.000 0.000 0.291 17 S C 0.528 175.083 174.600 -0.075 0.000 1.145 17 S CA -0.850 57.319 58.200 -0.051 0.000 1.013 17 S CB 1.467 64.632 63.200 -0.058 0.000 1.017 17 S HN 0.405 nan 8.310 nan 0.000 0.487 18 K N 1.514 121.876 120.400 -0.062 0.000 2.081 18 K HA -0.173 4.147 4.320 0.000 0.000 0.222 18 K C 0.581 177.062 176.600 -0.198 0.000 1.055 18 K CA 1.693 57.931 56.287 -0.082 0.000 0.954 18 K CB -0.454 32.017 32.500 -0.049 0.000 0.732 18 K HN 0.557 nan 8.250 nan 0.000 0.458 19 L N 0.458 121.543 121.223 -0.230 0.000 2.344 19 L HA 0.313 4.653 4.340 0.000 0.000 0.272 19 L C 0.207 176.940 176.870 -0.229 0.000 1.035 19 L CA -0.564 54.066 54.840 -0.349 0.000 0.807 19 L CB 1.429 43.269 42.059 -0.366 0.000 1.237 19 L HN 0.058 nan 8.230 nan 0.000 0.442 20 K N 3.620 123.875 120.400 -0.242 0.000 2.589 20 K HA 0.474 4.794 4.320 0.000 0.000 0.253 20 K C -1.830 174.689 176.600 -0.135 0.000 0.974 20 K CA -0.426 55.774 56.287 -0.144 0.000 0.835 20 K CB 1.697 34.135 32.500 -0.103 0.000 1.272 20 K HN 0.515 nan 8.250 nan 0.000 0.444 21 I N 3.223 123.736 120.570 -0.095 0.000 2.389 21 I HA 0.330 4.500 4.170 0.000 0.000 0.288 21 I C -0.721 175.375 176.117 -0.034 0.000 0.999 21 I CA -0.796 60.464 61.300 -0.066 0.000 1.129 21 I CB 1.769 39.731 38.000 -0.064 0.000 1.288 21 I HN 0.399 nan 8.210 nan 0.000 0.444 22 D N 8.001 128.391 120.400 -0.016 0.000 2.502 22 D HA 0.324 4.964 4.640 0.000 0.000 0.249 22 D C -2.539 173.763 176.300 0.004 0.000 1.092 22 D CA -1.115 52.881 54.000 -0.006 0.000 0.839 22 D CB 2.903 43.703 40.800 -0.001 0.000 1.264 22 D HN 0.228 nan 8.370 nan 0.000 0.511 23 P HA 0.031 nan 4.420 nan 0.000 0.276 23 P C -0.175 177.128 177.300 0.006 0.000 1.243 23 P CA -0.247 62.856 63.100 0.005 0.000 0.768 23 P CB 1.285 32.986 31.700 0.000 0.000 0.856 24 D N 2.631 123.036 120.400 0.009 0.000 2.382 24 D HA 0.042 4.682 4.640 0.000 0.000 0.245 24 D C 0.613 176.908 176.300 -0.007 0.000 1.120 24 D CA 0.289 54.290 54.000 0.001 0.000 0.890 24 D CB 1.041 41.839 40.800 -0.003 0.000 1.201 24 D HN 0.266 nan 8.370 nan 0.000 0.433 25 T N 2.752 117.299 114.554 -0.012 0.000 3.046 25 T HA -0.006 4.344 4.350 0.000 0.000 0.242 25 T C 1.711 176.399 174.700 -0.020 0.000 1.018 25 T CA -0.146 61.946 62.100 -0.013 0.000 1.131 25 T CB 0.244 69.106 68.868 -0.010 0.000 0.904 25 T HN 0.313 nan 8.240 nan 0.000 0.459 26 K N 2.009 122.392 120.400 -0.028 0.000 2.242 26 K HA 0.051 4.371 4.320 0.000 0.000 0.206 26 K C 0.857 177.431 176.600 -0.043 0.000 1.045 26 K CA 0.779 57.043 56.287 -0.037 0.000 0.930 26 K CB -0.423 32.047 32.500 -0.050 0.000 0.726 26 K HN 0.517 nan 8.250 nan 0.000 0.462 27 A N 1.175 123.969 122.820 -0.044 0.000 2.498 27 A HA 0.536 4.856 4.320 0.000 0.000 0.298 27 A C -2.663 174.908 177.584 -0.022 0.000 1.075 27 A CA -1.412 50.600 52.037 -0.041 0.000 0.714 27 A CB 1.800 20.758 19.000 -0.070 0.000 1.299 27 A HN -0.134 nan 8.150 nan 0.000 0.407 28 P HA 0.143 nan 4.420 nan 0.000 0.277 28 P C -0.311 176.992 177.300 0.006 0.000 1.240 28 P CA -0.224 62.876 63.100 -0.001 0.000 0.798 28 P CB 0.621 32.323 31.700 0.003 0.000 0.979 29 N N 0.246 118.951 118.700 0.009 0.000 2.652 29 N HA -0.184 4.556 4.740 0.000 0.000 0.281 29 N C -1.180 174.338 175.510 0.014 0.000 1.084 29 N CA 1.237 54.294 53.050 0.012 0.000 0.775 29 N CB -1.214 37.285 38.487 0.020 0.000 0.923 29 N HN 0.739 nan 8.380 nan 0.000 0.558 30 A N 0.390 123.219 122.820 0.014 0.000 2.582 30 A HA 0.648 4.968 4.320 0.000 0.000 0.297 30 A C -0.964 176.640 177.584 0.032 0.000 1.059 30 A CA -0.433 51.624 52.037 0.034 0.000 0.705 30 A CB 1.700 20.723 19.000 0.038 0.000 1.279 30 A HN 0.205 nan 8.150 nan 0.000 0.404 31 V N 0.575 120.520 119.914 0.053 0.000 3.078 31 V HA 0.720 4.840 4.120 0.000 0.000 0.311 31 V C -0.514 175.631 176.094 0.084 0.000 1.138 31 V CA -0.812 61.517 62.300 0.049 0.000 1.007 31 V CB 2.083 33.921 31.823 0.026 0.000 1.045 31 V HN 0.909 nan 8.190 nan 0.000 0.432 32 V N 3.374 123.332 119.914 0.072 0.000 2.417 32 V HA 0.582 4.702 4.120 0.000 0.000 0.291 32 V C -0.498 175.643 176.094 0.079 0.000 1.024 32 V CA -0.319 62.042 62.300 0.102 0.000 0.861 32 V CB 1.448 33.323 31.823 0.087 0.000 0.985 32 V HN 0.666 nan 8.190 nan 0.000 0.436 33 I N 3.044 123.690 120.570 0.127 0.000 2.418 33 I HA 0.360 4.530 4.170 0.000 0.000 0.287 33 I C 0.147 176.304 176.117 0.066 0.000 1.008 33 I CA -0.248 61.075 61.300 0.038 0.000 1.104 33 I CB 2.167 40.166 38.000 -0.002 0.000 1.264 33 I HN 0.464 nan 8.210 nan 0.000 0.438 34 T N 6.278 120.790 114.554 -0.070 0.000 2.749 34 T HA 0.422 4.772 4.350 0.000 0.000 0.295 34 T C -0.514 174.043 174.700 -0.238 0.000 0.936 34 T CA 0.005 62.069 62.100 -0.059 0.000 1.060 34 T CB -0.051 68.790 68.868 -0.045 0.000 0.904 34 T HN 0.101 nan 8.240 nan 0.000 0.500 35 F N 3.142 122.817 119.950 -0.459 0.000 2.385 35 F HA 0.355 4.882 4.527 0.000 0.000 0.360 35 F C 0.947 176.525 175.800 -0.371 0.000 1.122 35 F CA -1.066 56.614 58.000 -0.532 0.000 1.090 35 F CB 0.860 39.190 39.000 -1.118 0.000 1.150 35 F HN 0.339 nan 8.300 nan 0.000 0.472 36 E N 3.191 123.348 120.200 -0.071 0.000 2.319 36 E HA 0.181 4.531 4.350 0.000 0.000 0.268 36 E C 0.162 176.781 176.600 0.032 0.000 1.050 36 E CA -0.417 55.972 56.400 -0.019 0.000 0.878 36 E CB 0.770 30.454 29.700 -0.027 0.000 1.066 36 E HN 0.305 nan 8.360 nan 0.000 0.406 37 K N 1.321 121.754 120.400 0.055 0.000 3.177 37 K HA -0.205 4.115 4.320 0.000 0.000 0.266 37 K C -0.086 176.603 176.600 0.149 0.000 0.937 37 K CA 0.953 57.298 56.287 0.098 0.000 0.702 37 K CB -1.037 31.515 32.500 0.087 0.000 1.365 37 K HN 0.440 nan 8.250 nan 0.000 0.466 38 E N -0.009 120.290 120.200 0.166 0.000 2.446 38 E HA 0.475 4.825 4.350 0.000 0.000 0.269 38 E C 0.132 176.917 176.600 0.308 0.000 0.977 38 E CA -0.447 56.095 56.400 0.237 0.000 0.854 38 E CB 1.769 31.636 29.700 0.279 0.000 1.545 38 E HN 0.262 nan 8.360 nan 0.000 0.448 39 D N -1.738 118.850 120.400 0.314 0.000 3.557 39 D HA 0.123 4.763 4.640 0.000 0.000 0.331 39 D C 0.990 177.194 176.300 -0.161 0.000 1.442 39 D CA -0.307 53.785 54.000 0.152 0.000 0.971 39 D CB 0.058 40.907 40.800 0.082 0.000 1.423 39 D HN 0.322 nan 8.370 nan 0.000 0.604 40 H N 0.289 119.313 119.070 -0.076 0.000 2.289 40 H HA -0.096 4.460 4.556 0.000 0.000 0.296 40 H C 1.655 176.792 175.328 -0.318 0.000 1.091 40 H CA 2.496 58.413 56.048 -0.218 0.000 1.274 40 H CB -0.697 29.049 29.762 -0.027 0.000 1.364 40 H HN 0.466 nan 8.280 nan 0.000 0.490 41 T N 1.624 116.167 114.554 -0.018 0.000 2.522 41 T HA -0.254 4.096 4.350 0.000 0.000 0.253 41 T C 2.253 176.864 174.700 -0.149 0.000 1.218 41 T CA 2.150 64.213 62.100 -0.061 0.000 1.155 41 T CB -0.754 68.105 68.868 -0.015 0.000 0.855 41 T HN 0.095 nan 8.240 nan 0.000 0.435 42 L N 0.503 121.637 121.223 -0.147 0.000 2.072 42 L HA 0.160 4.500 4.340 0.000 0.000 0.205 42 L C 2.592 179.193 176.870 -0.448 0.000 1.079 42 L CA 1.980 56.722 54.840 -0.163 0.000 0.752 42 L CB -1.156 40.924 42.059 0.035 0.000 0.906 42 L HN 0.367 nan 8.230 nan 0.000 0.436 43 G N -0.719 107.489 108.800 -0.987 0.000 2.604 43 G HA2 -0.400 3.560 3.960 0.000 0.000 0.216 43 G HA3 -0.400 3.560 3.960 0.000 0.000 0.216 43 G C 1.459 175.534 174.900 -1.375 0.000 1.265 43 G CA 0.902 44.892 45.100 -1.849 0.000 0.804 43 G HN 0.444 nan 8.290 nan 0.000 0.579 44 N N 0.287 118.242 118.700 -1.240 0.000 2.096 44 N HA -0.158 4.583 4.740 0.000 0.000 0.195 44 N C 2.142 177.462 175.510 -0.318 0.000 1.017 44 N CA 1.563 54.305 53.050 -0.513 0.000 0.870 44 N CB -0.495 37.903 38.487 -0.147 0.000 1.024 44 N HN 0.228 nan 8.380 nan 0.000 0.434 45 L N 0.743 121.786 121.223 -0.300 0.000 2.017 45 L HA 0.043 4.383 4.340 0.000 0.000 0.208 45 L C 2.077 178.851 176.870 -0.162 0.000 1.073 45 L CA 1.383 56.114 54.840 -0.182 0.000 0.745 45 L CB -0.523 41.448 42.059 -0.146 0.000 0.894 45 L HN 0.269 nan 8.230 nan 0.000 0.432 46 I N -1.272 119.169 120.570 -0.214 0.000 2.614 46 I HA -0.183 3.987 4.170 0.000 0.000 0.258 46 I C 2.454 178.500 176.117 -0.118 0.000 1.189 46 I CA 0.386 61.606 61.300 -0.133 0.000 1.462 46 I CB -0.425 37.495 38.000 -0.134 0.000 1.092 46 I HN 0.253 nan 8.210 nan 0.000 0.442 47 R N 1.501 121.891 120.500 -0.184 0.000 2.075 47 R HA 0.030 4.370 4.340 0.000 0.000 0.226 47 R C 2.265 178.523 176.300 -0.070 0.000 1.114 47 R CA 1.485 57.526 56.100 -0.098 0.000 0.972 47 R CB -0.537 29.741 30.300 -0.035 0.000 0.869 47 R HN 0.304 nan 8.270 nan 0.000 0.437 48 A N 1.764 124.538 122.820 -0.077 0.000 1.842 48 A HA -0.191 4.129 4.320 0.000 0.000 0.217 48 A C 2.005 179.564 177.584 -0.042 0.000 1.206 48 A CA 1.676 53.680 52.037 -0.054 0.000 0.630 48 A CB -0.689 18.278 19.000 -0.056 0.000 0.839 48 A HN 0.290 nan 8.150 nan 0.000 0.447 49 E N -0.108 120.070 120.200 -0.038 0.000 2.065 49 E HA -0.222 4.128 4.350 0.000 0.000 0.201 49 E C 2.003 178.599 176.600 -0.007 0.000 1.016 49 E CA 1.259 57.649 56.400 -0.017 0.000 0.818 49 E CB -0.684 29.010 29.700 -0.010 0.000 0.749 49 E HN 0.626 nan 8.360 nan 0.000 0.453 50 L N 0.181 121.397 121.223 -0.012 0.000 2.270 50 L HA -0.217 4.123 4.340 0.000 0.000 0.217 50 L C 2.035 178.896 176.870 -0.014 0.000 1.107 50 L CA 0.372 55.209 54.840 -0.004 0.000 0.772 50 L CB -0.206 41.844 42.059 -0.014 0.000 0.902 50 L HN 0.114 nan 8.230 nan 0.000 0.439 51 L N -0.392 120.814 121.223 -0.029 0.000 2.650 51 L HA -0.039 4.301 4.340 0.000 0.000 0.235 51 L C 1.696 178.562 176.870 -0.008 0.000 1.149 51 L CA 0.940 55.760 54.840 -0.033 0.000 0.887 51 L CB -0.698 41.333 42.059 -0.046 0.000 1.021 51 L HN 0.269 nan 8.230 nan 0.000 0.441 52 N N -1.534 117.170 118.700 0.007 0.000 2.591 52 N HA -0.032 4.708 4.740 0.000 0.000 0.200 52 N C 0.393 175.926 175.510 0.037 0.000 1.040 52 N CA 0.091 53.151 53.050 0.017 0.000 0.911 52 N CB -0.014 38.481 38.487 0.015 0.000 1.259 52 N HN 0.147 nan 8.380 nan 0.000 0.438 53 D N 2.739 123.174 120.400 0.058 0.000 2.659 53 D HA -0.107 4.534 4.640 0.000 0.000 0.275 53 D C 0.946 177.309 176.300 0.105 0.000 1.407 53 D CA 0.140 54.202 54.000 0.103 0.000 1.033 53 D CB 0.403 41.301 40.800 0.163 0.000 1.139 53 D HN -0.049 nan 8.370 nan 0.000 0.565 54 R N 3.057 123.604 120.500 0.079 0.000 2.249 54 R HA -0.117 4.224 4.340 0.000 0.000 0.230 54 R C 1.300 177.661 176.300 0.102 0.000 1.121 54 R CA 0.634 56.776 56.100 0.070 0.000 0.997 54 R CB -0.001 30.325 30.300 0.044 0.000 0.867 54 R HN 0.470 nan 8.270 nan 0.000 0.465 55 K N 0.294 120.795 120.400 0.168 0.000 2.476 55 K HA 0.107 4.427 4.320 0.000 0.000 0.196 55 K C -0.270 176.497 176.600 0.277 0.000 1.025 55 K CA 0.038 56.483 56.287 0.263 0.000 1.138 55 K CB 0.637 33.345 32.500 0.347 0.000 0.860 55 K HN -0.151 nan 8.250 nan 0.000 0.515 56 V N 2.366 122.380 119.914 0.167 0.000 2.294 56 V HA 0.107 4.227 4.120 0.000 0.000 0.272 56 V C 1.018 177.160 176.094 0.080 0.000 1.027 56 V CA -0.188 62.163 62.300 0.085 0.000 0.823 56 V CB 1.123 32.975 31.823 0.048 0.000 1.030 56 V HN 0.261 nan 8.190 nan 0.000 0.457 57 L N 4.204 125.488 121.223 0.102 0.000 2.201 57 L HA 0.137 4.477 4.340 0.000 0.000 0.212 57 L C 0.424 177.411 176.870 0.195 0.000 1.105 57 L CA 1.581 56.497 54.840 0.127 0.000 0.775 57 L CB -0.011 42.122 42.059 0.124 0.000 0.913 57 L HN 0.546 nan 8.230 nan 0.000 0.440 58 F N -0.507 119.458 119.950 0.024 0.000 2.628 58 F HA 0.653 5.180 4.527 0.000 0.000 0.309 58 F C -1.297 174.522 175.800 0.033 0.000 1.108 58 F CA -0.828 57.187 58.000 0.026 0.000 0.971 58 F CB 1.446 40.461 39.000 0.024 0.000 1.279 58 F HN -0.314 nan 8.300 nan 0.000 0.441 59 A N 3.897 126.035 122.820 -1.138 0.000 2.491 59 A HA 0.931 5.251 4.320 0.000 0.000 0.293 59 A C -1.832 175.275 177.584 -0.796 0.000 1.047 59 A CA 0.117 51.751 52.037 -0.672 0.000 0.735 59 A CB 0.929 19.772 19.000 -0.261 0.000 1.281 59 A HN 1.905 nan 8.150 nan 0.000 0.398 60 A N 1.140 123.727 122.820 -0.388 0.000 2.599 60 A HA 0.970 5.290 4.320 0.000 0.000 0.290 60 A C -1.351 176.325 177.584 0.154 0.000 1.101 60 A CA -0.207 51.761 52.037 -0.114 0.000 0.674 60 A CB 1.154 20.152 19.000 -0.004 0.000 1.277 60 A HN 2.300 nan 8.150 nan 0.000 0.419 61 Y N -0.327 119.983 120.300 0.016 0.000 2.581 61 Y HA 0.748 5.298 4.550 0.000 0.000 0.337 61 Y C -1.185 174.746 175.900 0.053 0.000 1.108 61 Y CA -0.866 57.268 58.100 0.056 0.000 1.033 61 Y CB 1.496 39.918 38.460 -0.063 0.000 1.318 61 Y HN 0.905 nan 8.280 nan 0.000 0.459 62 K N 2.499 122.826 120.400 -0.121 0.000 2.525 62 K HA 0.646 4.966 4.320 0.000 0.000 0.254 62 K C -1.668 174.984 176.600 0.086 0.000 0.934 62 K CA -1.049 55.117 56.287 -0.201 0.000 0.802 62 K CB 2.685 35.138 32.500 -0.078 0.000 1.295 62 K HN 0.879 nan 8.250 nan 0.000 0.433 63 V N 0.574 120.505 119.914 0.028 0.000 2.389 63 V HA 0.161 4.281 4.120 0.000 0.000 0.264 63 V C 1.156 177.299 176.094 0.082 0.000 1.049 63 V CA -0.357 62.001 62.300 0.097 0.000 0.932 63 V CB 0.865 32.666 31.823 -0.036 0.000 1.011 63 V HN 0.873 nan 8.190 nan 0.000 0.475 64 E N 2.751 123.023 120.200 0.119 0.000 2.108 64 E HA -0.222 4.128 4.350 0.000 0.000 0.203 64 E C 0.609 177.249 176.600 0.066 0.000 1.022 64 E CA 2.557 59.005 56.400 0.080 0.000 0.823 64 E CB -0.096 29.657 29.700 0.089 0.000 0.744 64 E HN 1.090 nan 8.360 nan 0.000 0.456 65 H N -2.560 116.465 119.070 -0.075 0.000 3.153 65 H HA 0.067 4.623 4.556 0.000 0.000 0.323 65 H C -2.163 173.135 175.328 -0.050 0.000 1.096 65 H CA -0.736 55.218 56.048 -0.158 0.000 1.385 65 H CB 1.640 31.178 29.762 -0.374 0.000 2.027 65 H HN -0.239 nan 8.280 nan 0.000 0.499 66 P HA -0.303 nan 4.420 nan 0.000 0.221 66 P C 1.436 179.021 177.300 0.475 0.000 1.160 66 P CA 1.781 64.951 63.100 0.117 0.000 0.933 66 P CB -0.151 31.562 31.700 0.022 0.000 0.793 67 F N -1.272 118.915 119.950 0.395 0.000 2.167 67 F HA -0.165 4.362 4.527 0.000 0.000 0.301 67 F C 1.422 177.670 175.800 0.747 0.000 1.066 67 F CA 0.208 58.510 58.000 0.504 0.000 1.285 67 F CB -0.562 38.734 39.000 0.492 0.000 1.032 67 F HN -0.133 nan 8.300 nan 0.000 0.495 68 F N -0.184 119.979 119.950 0.354 0.000 2.444 68 F HA 0.511 5.038 4.527 0.000 0.000 0.342 68 F C 0.354 176.240 175.800 0.144 0.000 1.121 68 F CA -1.538 56.573 58.000 0.185 0.000 0.997 68 F CB 1.122 40.203 39.000 0.135 0.000 1.130 68 F HN -0.351 nan 8.300 nan 0.000 0.454 69 A N 5.609 128.579 122.820 0.250 0.000 2.655 69 A HA 0.537 4.858 4.320 0.000 0.000 0.297 69 A C -0.125 177.566 177.584 0.178 0.000 1.461 69 A CA -0.143 52.006 52.037 0.186 0.000 1.146 69 A CB -0.658 18.419 19.000 0.128 0.000 1.108 69 A HN 0.945 nan 8.150 nan 0.000 0.550 70 R N 0.491 121.121 120.500 0.217 0.000 3.112 70 R HA 0.591 4.931 4.340 0.000 0.000 0.271 70 R C -1.124 175.333 176.300 0.262 0.000 1.008 70 R CA -0.824 55.377 56.100 0.168 0.000 0.903 70 R CB 0.291 30.675 30.300 0.140 0.000 1.267 70 R HN 0.908 nan 8.270 nan 0.000 0.514 71 F N -1.280 118.770 119.950 0.167 0.000 2.654 71 F HA 0.672 5.199 4.527 0.000 0.000 0.308 71 F C -1.328 174.619 175.800 0.245 0.000 1.108 71 F CA -1.210 56.895 58.000 0.175 0.000 0.957 71 F CB 2.060 41.163 39.000 0.171 0.000 1.309 71 F HN 0.409 nan 8.300 nan 0.000 0.446 72 K N 2.334 122.993 120.400 0.433 0.000 2.159 72 K HA 0.667 4.987 4.320 0.000 0.000 0.266 72 K C -1.704 175.194 176.600 0.496 0.000 0.975 72 K CA -0.989 55.509 56.287 0.352 0.000 0.865 72 K CB 2.234 34.868 32.500 0.223 0.000 1.087 72 K HN 0.727 nan 8.250 nan 0.000 0.446 73 L N 2.843 124.353 121.223 0.477 0.000 2.356 73 L HA 0.409 4.749 4.340 0.000 0.000 0.277 73 L C -0.973 176.097 176.870 0.333 0.000 0.996 73 L CA -0.336 54.777 54.840 0.454 0.000 0.822 73 L CB 1.525 43.907 42.059 0.539 0.000 1.256 73 L HN 0.519 nan 8.230 nan 0.000 0.413 74 R N 5.631 126.318 120.500 0.312 0.000 2.343 74 R HA 0.706 5.046 4.340 0.000 0.000 0.320 74 R C -1.433 175.064 176.300 0.328 0.000 0.956 74 R CA -0.513 55.779 56.100 0.321 0.000 0.836 74 R CB 0.900 31.433 30.300 0.389 0.000 1.151 74 R HN 0.748 nan 8.270 nan 0.000 0.450 75 I N 3.662 124.377 120.570 0.242 0.000 2.436 75 I HA 0.272 4.442 4.170 0.000 0.000 0.289 75 I C -0.601 175.614 176.117 0.163 0.000 1.010 75 I CA -0.771 60.633 61.300 0.173 0.000 1.098 75 I CB 2.096 40.147 38.000 0.085 0.000 1.266 75 I HN 0.512 nan 8.210 nan 0.000 0.434 76 Q N 5.526 125.446 119.800 0.201 0.000 2.340 76 Q HA 0.676 5.016 4.340 0.000 0.000 0.268 76 Q C -1.041 175.006 176.000 0.077 0.000 1.031 76 Q CA -0.501 55.388 55.803 0.142 0.000 0.804 76 Q CB 2.177 31.040 28.738 0.207 0.000 1.286 76 Q HN 0.789 nan 8.270 nan 0.000 0.448 77 T N -0.396 114.168 114.554 0.017 0.000 2.906 77 T HA 0.544 4.894 4.350 0.000 0.000 0.295 77 T C 0.086 174.824 174.700 0.064 0.000 1.075 77 T CA -0.414 61.688 62.100 0.003 0.000 1.005 77 T CB 1.244 69.990 68.868 -0.203 0.000 1.136 77 T HN 0.707 nan 8.240 nan 0.000 0.498 78 T N -0.249 114.384 114.554 0.131 0.000 2.937 78 T HA 0.232 4.582 4.350 0.000 0.000 0.316 78 T C 0.383 175.161 174.700 0.130 0.000 1.079 78 T CA -0.440 61.738 62.100 0.130 0.000 1.131 78 T CB 0.150 69.107 68.868 0.148 0.000 1.000 78 T HN 0.884 nan 8.240 nan 0.000 0.549 79 E N 1.073 121.327 120.200 0.091 0.000 2.485 79 E HA 0.302 4.652 4.350 0.000 0.000 0.266 79 E C 1.704 178.367 176.600 0.104 0.000 1.137 79 E CA 1.582 58.029 56.400 0.078 0.000 1.010 79 E CB -0.637 29.095 29.700 0.054 0.000 0.986 79 E HN 1.124 nan 8.360 nan 0.000 0.460 80 G N 2.136 110.990 108.800 0.090 0.000 2.530 80 G HA2 -0.376 3.585 3.960 0.000 0.000 0.247 80 G HA3 -0.376 3.585 3.960 0.000 0.000 0.247 80 G C 0.197 175.197 174.900 0.166 0.000 1.067 80 G CA 0.800 45.958 45.100 0.098 0.000 0.650 80 G HN 0.658 nan 8.290 nan 0.000 0.531 81 Y N 2.498 122.811 120.300 0.022 0.000 2.350 81 Y HA 0.469 5.020 4.550 0.000 0.000 0.340 81 Y C -0.093 175.823 175.900 0.028 0.000 1.006 81 Y CA -0.872 57.242 58.100 0.024 0.000 1.166 81 Y CB 0.739 39.215 38.460 0.026 0.000 1.168 81 Y HN 0.229 nan 8.280 nan 0.000 0.502 82 D N 9.288 129.780 120.400 0.153 0.000 2.264 82 D HA 0.092 4.732 4.640 0.000 0.000 0.250 82 D C -1.784 174.352 176.300 -0.273 0.000 1.113 82 D CA -2.061 51.910 54.000 -0.049 0.000 0.871 82 D CB 2.128 42.941 40.800 0.023 0.000 1.167 82 D HN 0.372 nan 8.370 nan 0.000 0.447 83 P HA -0.201 nan 4.420 nan 0.000 0.216 83 P C 1.126 178.340 177.300 -0.144 0.000 1.153 83 P CA 1.194 64.148 63.100 -0.243 0.000 0.858 83 P CB 0.452 32.087 31.700 -0.109 0.000 0.789 84 K N -0.296 120.061 120.400 -0.071 0.000 2.077 84 K HA -0.194 4.126 4.320 0.000 0.000 0.213 84 K C 1.969 178.562 176.600 -0.012 0.000 1.051 84 K CA 1.993 58.263 56.287 -0.027 0.000 0.929 84 K CB -0.550 31.942 32.500 -0.013 0.000 0.715 84 K HN 0.207 nan 8.250 nan 0.000 0.451 85 D N 0.265 120.662 120.400 -0.006 0.000 2.084 85 D HA -0.153 4.487 4.640 0.000 0.000 0.194 85 D C 1.946 178.287 176.300 0.067 0.000 0.990 85 D CA 1.359 55.401 54.000 0.070 0.000 0.826 85 D CB -0.232 40.681 40.800 0.187 0.000 0.971 85 D HN 0.225 nan 8.370 nan 0.000 0.453 86 A N 1.437 124.211 122.820 -0.076 0.000 1.903 86 A HA -0.225 4.095 4.320 0.000 0.000 0.219 86 A C 2.164 179.764 177.584 0.027 0.000 1.191 86 A CA 1.500 53.508 52.037 -0.047 0.000 0.638 86 A CB -0.856 17.967 19.000 -0.295 0.000 0.823 86 A HN 0.254 nan 8.150 nan 0.000 0.451 87 L N -0.221 121.011 121.223 0.015 0.000 1.955 87 L HA -0.181 4.159 4.340 0.000 0.000 0.213 87 L C 2.153 179.065 176.870 0.070 0.000 1.072 87 L CA 2.567 57.444 54.840 0.063 0.000 0.755 87 L CB -1.129 40.980 42.059 0.084 0.000 0.888 87 L HN 0.434 nan 8.230 nan 0.000 0.432 88 K N -0.186 120.252 120.400 0.062 0.000 2.044 88 K HA -0.285 4.035 4.320 0.000 0.000 0.224 88 K C 1.895 178.535 176.600 0.066 0.000 1.056 88 K CA 2.196 58.520 56.287 0.062 0.000 0.962 88 K CB -0.551 31.984 32.500 0.059 0.000 0.730 88 K HN 0.523 nan 8.250 nan 0.000 0.453 89 N N 0.546 119.294 118.700 0.080 0.000 2.002 89 N HA -0.235 4.505 4.740 0.000 0.000 0.199 89 N C 1.885 177.432 175.510 0.061 0.000 1.060 89 N CA 1.740 54.836 53.050 0.077 0.000 0.867 89 N CB -0.773 37.779 38.487 0.108 0.000 1.069 89 N HN 0.300 nan 8.380 nan 0.000 0.430 90 A N 0.946 123.804 122.820 0.064 0.000 2.104 90 A HA -0.222 4.098 4.320 0.000 0.000 0.223 90 A C 2.703 180.309 177.584 0.037 0.000 1.164 90 A CA 1.640 53.704 52.037 0.045 0.000 0.659 90 A CB -1.073 17.951 19.000 0.040 0.000 0.808 90 A HN 0.524 nan 8.150 nan 0.000 0.465 91 C N -0.883 118.446 119.300 0.049 0.000 2.541 91 C HA -0.069 4.391 4.460 0.000 0.000 0.282 91 C C 2.662 177.672 174.990 0.035 0.000 1.263 91 C CA 0.863 59.909 59.018 0.047 0.000 1.709 91 C CB -1.440 26.337 27.740 0.062 0.000 2.097 91 C HN 0.693 nan 8.230 nan 0.000 0.480 92 N N 1.041 119.763 118.700 0.037 0.000 2.021 92 N HA -0.196 4.544 4.740 0.000 0.000 0.198 92 N C 1.946 177.470 175.510 0.023 0.000 1.041 92 N CA 2.037 55.105 53.050 0.029 0.000 0.862 92 N CB -0.875 37.631 38.487 0.031 0.000 1.048 92 N HN 0.550 nan 8.380 nan 0.000 0.427 93 S N 1.222 116.937 115.700 0.025 0.000 2.393 93 S HA -0.199 4.271 4.470 0.000 0.000 0.235 93 S C 2.133 176.741 174.600 0.013 0.000 1.061 93 S CA 1.443 59.655 58.200 0.019 0.000 1.129 93 S CB -0.559 62.654 63.200 0.021 0.000 1.011 93 S HN 0.317 nan 8.310 nan 0.000 0.436 94 I N 1.104 121.680 120.570 0.010 0.000 2.185 94 I HA -0.247 3.923 4.170 0.000 0.000 0.246 94 I C 2.248 178.366 176.117 0.002 0.000 1.088 94 I CA 1.873 63.173 61.300 0.001 0.000 1.347 94 I CB -0.399 37.599 38.000 -0.003 0.000 1.041 94 I HN 0.442 nan 8.210 nan 0.000 0.415 95 I N 0.427 121.002 120.570 0.008 0.000 2.110 95 I HA -0.308 3.862 4.170 0.000 0.000 0.236 95 I C 2.196 178.317 176.117 0.008 0.000 1.068 95 I CA 1.434 62.738 61.300 0.008 0.000 1.333 95 I CB -0.870 37.138 38.000 0.013 0.000 1.054 95 I HN 0.262 nan 8.210 nan 0.000 0.402 96 N N 1.681 120.388 118.700 0.011 0.000 2.049 96 N HA -0.239 4.501 4.740 0.000 0.000 0.198 96 N C 1.647 177.164 175.510 0.011 0.000 1.030 96 N CA 1.628 54.685 53.050 0.012 0.000 0.870 96 N CB -0.519 37.976 38.487 0.014 0.000 1.045 96 N HN 0.406 nan 8.380 nan 0.000 0.434 97 K N 0.482 120.888 120.400 0.009 0.000 2.032 97 K HA -0.073 4.247 4.320 0.000 0.000 0.209 97 K C 2.206 178.810 176.600 0.007 0.000 1.048 97 K CA 1.014 57.305 56.287 0.007 0.000 0.927 97 K CB -0.440 32.062 32.500 0.003 0.000 0.712 97 K HN 0.164 nan 8.250 nan 0.000 0.441 98 L N 0.505 121.729 121.223 0.001 0.000 2.042 98 L HA -0.164 4.177 4.340 0.000 0.000 0.210 98 L C 2.652 179.526 176.870 0.007 0.000 1.076 98 L CA 1.492 56.330 54.840 -0.003 0.000 0.749 98 L CB -1.102 40.951 42.059 -0.011 0.000 0.893 98 L HN 0.383 nan 8.230 nan 0.000 0.432 99 G N -0.245 108.562 108.800 0.010 0.000 2.491 99 G HA2 -0.324 3.636 3.960 0.000 0.000 0.218 99 G HA3 -0.324 3.636 3.960 0.000 0.000 0.218 99 G C 1.751 176.666 174.900 0.026 0.000 1.180 99 G CA 1.101 46.211 45.100 0.016 0.000 0.774 99 G HN 0.487 nan 8.290 nan 0.000 0.562 100 A N 0.636 123.471 122.820 0.025 0.000 1.851 100 A HA -0.027 4.293 4.320 0.000 0.000 0.216 100 A C 2.448 180.059 177.584 0.045 0.000 1.195 100 A CA 1.709 53.765 52.037 0.032 0.000 0.622 100 A CB -0.790 18.226 19.000 0.026 0.000 0.831 100 A HN 0.497 nan 8.150 nan 0.000 0.444 101 L N -0.457 120.790 121.223 0.040 0.000 2.189 101 L HA -0.252 4.088 4.340 0.000 0.000 0.214 101 L C 2.475 179.396 176.870 0.085 0.000 1.097 101 L CA 2.341 57.214 54.840 0.055 0.000 0.764 101 L CB -0.213 41.861 42.059 0.024 0.000 0.900 101 L HN 0.595 nan 8.230 nan 0.000 0.436 102 K N -1.108 119.331 120.400 0.065 0.000 1.995 102 K HA -0.141 4.179 4.320 0.000 0.000 0.207 102 K C 1.880 178.556 176.600 0.126 0.000 1.041 102 K CA 1.783 58.122 56.287 0.086 0.000 0.942 102 K CB -0.313 32.213 32.500 0.044 0.000 0.731 102 K HN 0.228 nan 8.250 nan 0.000 0.439 103 T N 1.907 116.510 114.554 0.083 0.000 2.565 103 T HA -0.201 4.149 4.350 0.000 0.000 0.265 103 T C 1.616 176.368 174.700 0.086 0.000 1.082 103 T CA 2.223 64.366 62.100 0.072 0.000 1.173 103 T CB -0.719 68.178 68.868 0.049 0.000 0.864 103 T HN 0.360 nan 8.240 nan 0.000 0.425 104 N N 0.730 119.483 118.700 0.089 0.000 2.094 104 N HA -0.075 4.665 4.740 0.000 0.000 0.191 104 N C 1.431 177.011 175.510 0.116 0.000 1.023 104 N CA 0.952 54.054 53.050 0.088 0.000 0.857 104 N CB -0.646 37.892 38.487 0.085 0.000 1.013 104 N HN 0.437 nan 8.380 nan 0.000 0.426 105 F N 1.622 121.596 119.950 0.039 0.000 2.293 105 F HA -0.026 4.501 4.527 0.000 0.000 0.300 105 F C 1.845 177.705 175.800 0.100 0.000 1.086 105 F CA 1.071 59.105 58.000 0.056 0.000 1.375 105 F CB 0.018 39.029 39.000 0.017 0.000 1.045 105 F HN 0.077 nan 8.300 nan 0.000 0.516 106 E N -0.592 119.636 120.200 0.047 0.000 2.046 106 E HA -0.141 4.209 4.350 0.000 0.000 0.190 106 E C 2.128 178.732 176.600 0.007 0.000 0.982 106 E CA 1.512 57.922 56.400 0.018 0.000 0.800 106 E CB -0.534 29.217 29.700 0.086 0.000 0.756 106 E HN 0.275 nan 8.360 nan 0.000 0.449 107 T N 1.488 116.047 114.554 0.010 0.000 2.505 107 T HA -0.246 4.104 4.350 0.000 0.000 0.259 107 T C 1.666 176.345 174.700 -0.035 0.000 1.158 107 T CA 1.641 63.740 62.100 -0.001 0.000 1.190 107 T CB -0.339 68.533 68.868 0.007 0.000 0.864 107 T HN 0.146 nan 8.240 nan 0.000 0.413 108 E N 0.036 120.199 120.200 -0.061 0.000 2.095 108 E HA -0.215 4.135 4.350 0.000 0.000 0.212 108 E C 1.862 178.390 176.600 -0.120 0.000 1.044 108 E CA 1.495 57.839 56.400 -0.092 0.000 0.857 108 E CB -0.653 28.981 29.700 -0.111 0.000 0.764 108 E HN 0.692 nan 8.360 nan 0.000 0.462 109 W N 1.869 122.930 121.300 -0.400 0.000 2.321 109 W HA -0.238 4.422 4.660 0.000 0.000 0.306 109 W C 1.580 177.989 176.519 -0.184 0.000 1.217 109 W CA 1.557 58.688 57.345 -0.357 0.000 1.257 109 W CB -0.293 28.869 29.460 -0.497 0.000 1.145 109 W HN 0.109 nan 8.180 nan 0.000 0.509 110 N N 0.950 119.604 118.700 -0.077 0.000 2.142 110 N HA -0.146 4.594 4.740 0.000 0.000 0.186 110 N C 1.656 177.059 175.510 -0.179 0.000 1.023 110 N CA 1.730 54.710 53.050 -0.117 0.000 0.852 110 N CB -0.912 37.568 38.487 -0.013 0.000 0.998 110 N HN 0.287 nan 8.380 nan 0.000 0.424 111 L N 0.967 122.101 121.223 -0.148 0.000 2.737 111 L HA 0.039 4.379 4.340 0.000 0.000 0.246 111 L C 0.455 177.215 176.870 -0.183 0.000 1.153 111 L CA 0.389 55.149 54.840 -0.133 0.000 0.920 111 L CB -0.465 41.539 42.059 -0.091 0.000 1.090 111 L HN 0.021 nan 8.230 nan 0.000 0.430 112 Q N 0.490 120.112 119.800 -0.297 0.000 2.333 112 Q HA 0.658 4.998 4.340 0.000 0.000 0.266 112 Q C -0.113 175.684 176.000 -0.338 0.000 1.053 112 Q CA -0.281 55.312 55.803 -0.349 0.000 0.890 112 Q CB 2.147 30.559 28.738 -0.543 0.000 1.337 112 Q HN 0.092 nan 8.270 nan 0.000 0.474 113 T N -1.067 113.313 114.554 -0.290 0.000 2.838 113 T HA 0.751 5.101 4.350 0.000 0.000 0.292 113 T C -0.055 174.522 174.700 -0.204 0.000 1.113 113 T CA -0.826 61.142 62.100 -0.220 0.000 1.008 113 T CB 1.669 70.454 68.868 -0.139 0.000 1.259 113 T HN 0.641 nan 8.240 nan 0.000 0.520 114 L N 0.000 121.139 121.223 -0.140 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.786 54.840 -0.090 0.000 0.813 114 L CB 0.000 42.014 42.059 -0.076 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502