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 2vum_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 0.000 176.289 176.300 -0.018 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.014 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.009 0.000 1.302 2 N N 0.737 119.422 118.700 -0.026 0.000 2.166 2 N HA 0.529 5.269 4.740 0.000 0.000 0.213 2 N C -0.320 175.158 175.510 -0.053 0.000 1.222 2 N CA 0.701 53.734 53.050 -0.028 0.000 0.900 2 N CB 1.251 39.731 38.487 -0.013 0.000 1.055 2 N HN 0.476 nan 8.380 nan 0.000 0.515 3 A N 2.579 125.356 122.820 -0.072 0.000 2.401 3 A HA 0.439 4.759 4.320 0.000 0.000 0.259 3 A C -1.500 176.023 177.584 -0.102 0.000 1.103 3 A CA -0.765 51.209 52.037 -0.106 0.000 0.789 3 A CB -0.137 18.799 19.000 -0.105 0.000 1.035 3 A HN 0.053 nan 8.150 nan 0.000 0.491 4 P HA 0.134 nan 4.420 nan 0.000 0.274 4 P C -0.873 176.302 177.300 -0.208 0.000 1.264 4 P CA -0.333 62.673 63.100 -0.158 0.000 0.795 4 P CB 0.431 32.038 31.700 -0.155 0.000 1.064 5 D N 0.725 120.907 120.400 -0.363 0.000 2.264 5 D HA 0.080 4.720 4.640 0.000 0.000 0.250 5 D C 1.609 177.577 176.300 -0.552 0.000 1.113 5 D CA -0.398 53.300 54.000 -0.502 0.000 0.871 5 D CB 1.014 41.271 40.800 -0.906 0.000 1.167 5 D HN 0.188 nan 8.370 nan 0.000 0.447 6 R N 1.936 122.295 120.500 -0.235 0.000 2.159 6 R HA -0.207 4.133 4.340 0.000 0.000 0.249 6 R C 1.846 178.178 176.300 0.053 0.000 1.136 6 R CA 1.225 57.300 56.100 -0.041 0.000 0.951 6 R CB -0.934 29.421 30.300 0.092 0.000 0.876 6 R HN 0.610 nan 8.270 nan 0.000 0.440 7 F N 1.066 121.109 119.950 0.155 0.000 2.717 7 F HA 0.002 4.529 4.527 0.000 0.000 0.296 7 F C 0.815 176.511 175.800 -0.174 0.000 1.268 7 F CA 0.372 58.373 58.000 0.001 0.000 1.466 7 F CB -0.671 38.215 39.000 -0.190 0.000 1.120 7 F HN 0.014 nan 8.300 nan 0.000 0.596 8 E N 0.443 120.550 120.200 -0.155 0.000 2.474 8 E HA 0.150 4.500 4.350 0.000 0.000 0.195 8 E C 1.609 178.261 176.600 0.088 0.000 1.039 8 E CA -0.011 56.334 56.400 -0.092 0.000 0.881 8 E CB 0.053 29.631 29.700 -0.204 0.000 0.970 8 E HN 0.581 nan 8.360 nan 0.000 0.486 9 L N -0.193 121.210 121.223 0.300 0.000 2.592 9 L HA 0.168 4.508 4.340 0.000 0.000 0.227 9 L C 1.445 178.623 176.870 0.513 0.000 1.127 9 L CA 0.544 55.604 54.840 0.367 0.000 0.884 9 L CB -0.179 42.062 42.059 0.302 0.000 1.065 9 L HN 0.225 nan 8.230 nan 0.000 0.457 10 F N -3.512 116.493 119.950 0.091 0.000 2.839 10 F HA 0.305 4.832 4.527 0.000 0.000 0.355 10 F C 0.435 176.287 175.800 0.087 0.000 0.904 10 F CA -0.779 57.275 58.000 0.090 0.000 1.098 10 F CB 0.403 39.454 39.000 0.084 0.000 0.982 10 F HN -0.343 nan 8.300 nan 0.000 0.600 11 L N 4.211 125.292 121.223 -0.238 0.000 2.319 11 L HA 0.368 4.708 4.340 0.000 0.000 0.280 11 L C -0.166 176.675 176.870 -0.050 0.000 1.099 11 L CA -0.352 54.379 54.840 -0.181 0.000 0.828 11 L CB 1.144 43.045 42.059 -0.263 0.000 1.150 11 L HN 0.189 nan 8.230 nan 0.000 0.442 12 L N 2.616 123.823 121.223 -0.028 0.000 2.416 12 L HA 0.378 4.718 4.340 0.000 0.000 0.272 12 L C 1.032 177.889 176.870 -0.022 0.000 1.161 12 L CA 0.342 55.172 54.840 -0.016 0.000 0.845 12 L CB 0.780 42.830 42.059 -0.015 0.000 1.119 12 L HN 0.712 nan 8.230 nan 0.000 0.464 13 G N 1.167 109.956 108.800 -0.019 0.000 2.437 13 G HA2 0.308 4.268 3.960 0.000 0.000 0.319 13 G HA3 0.308 4.268 3.960 0.000 0.000 0.319 13 G C -0.595 174.291 174.900 -0.023 0.000 1.158 13 G CA -0.597 44.493 45.100 -0.016 0.000 0.899 13 G HN 0.670 nan 8.290 nan 0.000 0.502 14 E N -0.123 120.064 120.200 -0.021 0.000 2.612 14 E HA -0.013 4.337 4.350 0.000 0.000 0.331 14 E C 1.166 177.751 176.600 -0.025 0.000 0.695 14 E CA 1.051 57.437 56.400 -0.023 0.000 1.220 14 E CB -0.365 29.323 29.700 -0.020 0.000 0.606 14 E HN 1.218 nan 8.360 nan 0.000 0.452 15 G N 4.023 112.807 108.800 -0.025 0.000 2.261 15 G HA2 -0.285 3.675 3.960 0.000 0.000 0.220 15 G HA3 -0.285 3.675 3.960 0.000 0.000 0.220 15 G C -0.362 174.521 174.900 -0.029 0.000 0.572 15 G CA 0.756 45.840 45.100 -0.026 0.000 1.011 15 G HN 0.561 nan 8.290 nan 0.000 0.328 16 E N 0.650 120.832 120.200 -0.031 0.000 2.397 16 E HA 0.329 4.679 4.350 0.000 0.000 0.293 16 E C -0.583 175.994 176.600 -0.039 0.000 0.930 16 E CA -0.632 55.747 56.400 -0.035 0.000 0.793 16 E CB 1.413 31.093 29.700 -0.032 0.000 1.259 16 E HN 0.359 nan 8.360 nan 0.000 0.406 17 S N 2.497 118.167 115.700 -0.050 0.000 2.554 17 S HA 0.172 4.642 4.470 0.000 0.000 0.278 17 S C 1.150 175.702 174.600 -0.080 0.000 1.242 17 S CA -0.733 57.429 58.200 -0.063 0.000 1.051 17 S CB 1.302 64.458 63.200 -0.073 0.000 0.986 17 S HN 0.401 nan 8.310 nan 0.000 0.502 18 K N 1.295 121.647 120.400 -0.081 0.000 2.044 18 K HA -0.044 4.276 4.320 0.000 0.000 0.210 18 K C 0.377 176.856 176.600 -0.202 0.000 1.049 18 K CA 1.391 57.621 56.287 -0.095 0.000 0.927 18 K CB -0.279 32.176 32.500 -0.075 0.000 0.713 18 K HN 0.531 nan 8.250 nan 0.000 0.443 19 L N 0.749 121.828 121.223 -0.240 0.000 2.325 19 L HA 0.355 4.695 4.340 0.000 0.000 0.278 19 L C -0.014 176.726 176.870 -0.216 0.000 1.023 19 L CA -0.587 54.049 54.840 -0.340 0.000 0.811 19 L CB 1.685 43.509 42.059 -0.391 0.000 1.249 19 L HN -0.108 nan 8.230 nan 0.000 0.431 20 K N 3.846 124.119 120.400 -0.212 0.000 2.565 20 K HA 0.556 4.876 4.320 0.000 0.000 0.249 20 K C -1.632 174.894 176.600 -0.123 0.000 0.958 20 K CA -0.454 55.756 56.287 -0.128 0.000 0.806 20 K CB 1.922 34.368 32.500 -0.089 0.000 1.194 20 K HN 0.531 nan 8.250 nan 0.000 0.434 21 I N 3.370 123.884 120.570 -0.094 0.000 2.378 21 I HA 0.282 4.452 4.170 0.000 0.000 0.291 21 I C -0.719 175.376 176.117 -0.036 0.000 0.992 21 I CA -0.657 60.602 61.300 -0.068 0.000 1.154 21 I CB 1.707 39.665 38.000 -0.070 0.000 1.315 21 I HN 0.471 nan 8.210 nan 0.000 0.448 22 D N 7.895 128.285 120.400 -0.016 0.000 2.646 22 D HA 0.375 5.015 4.640 0.000 0.000 0.245 22 D C -2.526 173.779 176.300 0.007 0.000 1.099 22 D CA -1.131 52.867 54.000 -0.004 0.000 0.849 22 D CB 2.568 43.370 40.800 0.003 0.000 1.448 22 D HN 0.180 nan 8.370 nan 0.000 0.489 23 P HA 0.154 nan 4.420 nan 0.000 0.275 23 P C -0.729 176.583 177.300 0.020 0.000 1.228 23 P CA -0.272 62.835 63.100 0.012 0.000 0.786 23 P CB 1.212 32.916 31.700 0.007 0.000 0.927 24 D N 0.647 121.063 120.400 0.027 0.000 2.233 24 D HA 0.224 4.864 4.640 0.000 0.000 0.240 24 D C 0.982 177.296 176.300 0.023 0.000 1.074 24 D CA -0.359 53.660 54.000 0.032 0.000 0.838 24 D CB 0.915 41.745 40.800 0.050 0.000 1.124 24 D HN 0.182 nan 8.370 nan 0.000 0.475 25 T N 1.643 116.207 114.554 0.018 0.000 3.035 25 T HA -0.051 4.299 4.350 0.000 0.000 0.259 25 T C 1.687 176.392 174.700 0.008 0.000 1.078 25 T CA 0.190 62.297 62.100 0.012 0.000 1.132 25 T CB 0.032 68.905 68.868 0.009 0.000 0.900 25 T HN 0.308 nan 8.240 nan 0.000 0.480 26 K N 2.131 122.536 120.400 0.009 0.000 2.059 26 K HA 0.011 4.331 4.320 0.000 0.000 0.212 26 K C 1.086 177.683 176.600 -0.005 0.000 1.050 26 K CA 1.420 57.707 56.287 0.001 0.000 0.927 26 K CB -0.356 32.145 32.500 0.000 0.000 0.714 26 K HN 0.532 nan 8.250 nan 0.000 0.447 27 A N 1.097 123.917 122.820 0.000 0.000 2.556 27 A HA 0.488 4.809 4.320 0.000 0.000 0.294 27 A C -2.679 174.910 177.584 0.010 0.000 1.091 27 A CA -1.487 50.548 52.037 -0.003 0.000 0.704 27 A CB 1.602 20.591 19.000 -0.018 0.000 1.300 27 A HN -0.111 nan 8.150 nan 0.000 0.406 28 P HA 0.076 nan 4.420 nan 0.000 0.271 28 P C -0.245 177.068 177.300 0.022 0.000 1.218 28 P CA 0.032 63.141 63.100 0.015 0.000 0.780 28 P CB 0.459 32.167 31.700 0.013 0.000 0.901 29 N N 0.219 118.931 118.700 0.020 0.000 2.614 29 N HA -0.177 4.563 4.740 0.000 0.000 0.276 29 N C -1.249 174.277 175.510 0.027 0.000 1.119 29 N CA 1.103 54.164 53.050 0.019 0.000 0.742 29 N CB -1.138 37.362 38.487 0.020 0.000 0.900 29 N HN 0.720 nan 8.380 nan 0.000 0.549 30 A N 0.671 123.509 122.820 0.031 0.000 2.594 30 A HA 0.803 5.123 4.320 0.000 0.000 0.295 30 A C -0.865 176.746 177.584 0.045 0.000 1.071 30 A CA -0.376 51.694 52.037 0.054 0.000 0.685 30 A CB 2.203 21.247 19.000 0.074 0.000 1.285 30 A HN 0.252 nan 8.150 nan 0.000 0.405 31 V N 0.046 119.995 119.914 0.058 0.000 3.147 31 V HA 0.666 4.786 4.120 0.000 0.000 0.306 31 V C -0.969 175.167 176.094 0.070 0.000 1.209 31 V CA -0.658 61.670 62.300 0.046 0.000 1.023 31 V CB 2.257 34.092 31.823 0.021 0.000 1.059 31 V HN 1.083 nan 8.190 nan 0.000 0.435 32 V N 2.528 122.478 119.914 0.060 0.000 2.409 32 V HA 0.584 4.704 4.120 0.000 0.000 0.290 32 V C -0.532 175.598 176.094 0.061 0.000 1.017 32 V CA -0.408 61.941 62.300 0.081 0.000 0.841 32 V CB 1.421 33.290 31.823 0.076 0.000 1.003 32 V HN 0.672 nan 8.190 nan 0.000 0.426 33 I N 3.114 123.744 120.570 0.100 0.000 2.312 33 I HA 0.318 4.488 4.170 0.000 0.000 0.290 33 I C 0.455 176.612 176.117 0.067 0.000 1.008 33 I CA -0.056 61.263 61.300 0.032 0.000 1.226 33 I CB 1.698 39.703 38.000 0.009 0.000 1.371 33 I HN 0.519 nan 8.210 nan 0.000 0.468 34 T N 6.885 121.404 114.554 -0.059 0.000 2.723 34 T HA 0.351 4.701 4.350 0.000 0.000 0.297 34 T C -0.379 174.203 174.700 -0.196 0.000 0.925 34 T CA 0.008 62.075 62.100 -0.056 0.000 1.030 34 T CB -0.190 68.650 68.868 -0.047 0.000 0.905 34 T HN 0.100 nan 8.240 nan 0.000 0.502 35 F N 3.012 122.650 119.950 -0.519 0.000 2.410 35 F HA 0.366 4.893 4.527 0.000 0.000 0.349 35 F C 0.957 176.541 175.800 -0.361 0.000 1.117 35 F CA -1.026 56.622 58.000 -0.586 0.000 1.104 35 F CB 0.948 39.176 39.000 -1.287 0.000 1.122 35 F HN 0.324 nan 8.300 nan 0.000 0.483 36 E N 3.327 123.503 120.200 -0.040 0.000 2.231 36 E HA 0.217 4.567 4.350 0.000 0.000 0.277 36 E C -0.319 176.329 176.600 0.079 0.000 0.999 36 E CA -0.611 55.799 56.400 0.016 0.000 0.827 36 E CB 1.147 30.842 29.700 -0.008 0.000 1.101 36 E HN 0.310 nan 8.360 nan 0.000 0.393 37 K N 2.009 122.476 120.400 0.112 0.000 4.405 37 K HA -0.194 4.127 4.320 0.000 0.000 0.287 37 K C -0.215 176.507 176.600 0.204 0.000 0.905 37 K CA 0.838 57.221 56.287 0.161 0.000 0.867 37 K CB -0.965 31.621 32.500 0.144 0.000 1.652 37 K HN 0.504 nan 8.250 nan 0.000 0.435 38 E N 0.179 120.526 120.200 0.245 0.000 2.442 38 E HA 0.481 4.831 4.350 0.000 0.000 0.278 38 E C -0.483 176.312 176.600 0.324 0.000 1.082 38 E CA -0.381 56.209 56.400 0.317 0.000 0.861 38 E CB 1.584 31.557 29.700 0.455 0.000 1.462 38 E HN 0.339 nan 8.360 nan 0.000 0.458 39 D N -2.009 118.534 120.400 0.238 0.000 3.103 39 D HA 0.201 4.841 4.640 0.000 0.000 0.337 39 D C 0.923 177.111 176.300 -0.187 0.000 1.356 39 D CA -0.374 53.638 54.000 0.020 0.000 0.951 39 D CB -0.086 40.755 40.800 0.068 0.000 1.438 39 D HN 0.360 nan 8.370 nan 0.000 0.562 40 H N -0.266 118.768 119.070 -0.060 0.000 2.352 40 H HA -0.079 4.478 4.556 0.000 0.000 0.299 40 H C 1.370 176.610 175.328 -0.148 0.000 1.097 40 H CA 2.190 58.193 56.048 -0.075 0.000 1.311 40 H CB -0.404 29.352 29.762 -0.010 0.000 1.377 40 H HN 0.440 nan 8.280 nan 0.000 0.504 41 T N 1.479 116.060 114.554 0.044 0.000 2.594 41 T HA -0.219 4.131 4.350 0.000 0.000 0.266 41 T C 2.262 176.923 174.700 -0.065 0.000 1.070 41 T CA 1.772 63.867 62.100 -0.009 0.000 1.166 41 T CB -0.475 68.400 68.868 0.012 0.000 0.862 41 T HN 0.219 nan 8.240 nan 0.000 0.436 42 L N -0.393 120.789 121.223 -0.069 0.000 2.298 42 L HA 0.255 4.595 4.340 0.000 0.000 0.209 42 L C 2.487 179.182 176.870 -0.291 0.000 1.084 42 L CA 0.729 55.519 54.840 -0.084 0.000 0.816 42 L CB -0.681 41.423 42.059 0.076 0.000 0.967 42 L HN 0.371 nan 8.230 nan 0.000 0.460 43 G N 0.151 108.581 108.800 -0.616 0.000 2.808 43 G HA2 -0.413 3.547 3.960 0.000 0.000 0.211 43 G HA3 -0.413 3.547 3.960 0.000 0.000 0.211 43 G C 1.137 175.361 174.900 -1.127 0.000 1.364 43 G CA 0.977 45.334 45.100 -1.239 0.000 0.824 43 G HN 0.430 nan 8.290 nan 0.000 0.630 44 N N 0.007 117.880 118.700 -1.378 0.000 2.202 44 N HA -0.178 4.562 4.740 0.000 0.000 0.197 44 N C 2.031 177.235 175.510 -0.509 0.000 0.995 44 N CA 1.562 54.036 53.050 -0.960 0.000 0.894 44 N CB -0.350 37.886 38.487 -0.418 0.000 1.010 44 N HN 0.258 nan 8.380 nan 0.000 0.453 45 L N 0.186 121.185 121.223 -0.374 0.000 2.056 45 L HA 0.088 4.428 4.340 0.000 0.000 0.207 45 L C 2.041 178.791 176.870 -0.199 0.000 1.078 45 L CA 1.311 56.020 54.840 -0.220 0.000 0.749 45 L CB -0.380 41.591 42.059 -0.148 0.000 0.901 45 L HN 0.277 nan 8.230 nan 0.000 0.433 46 I N -1.333 119.095 120.570 -0.237 0.000 2.286 46 I HA -0.210 3.960 4.170 0.000 0.000 0.245 46 I C 2.620 178.627 176.117 -0.182 0.000 1.104 46 I CA 0.606 61.816 61.300 -0.150 0.000 1.397 46 I CB -0.466 37.474 38.000 -0.100 0.000 1.072 46 I HN 0.271 nan 8.210 nan 0.000 0.417 47 R N 1.704 122.007 120.500 -0.328 0.000 2.094 47 R HA -0.211 4.129 4.340 0.000 0.000 0.239 47 R C 2.255 178.438 176.300 -0.196 0.000 1.137 47 R CA 2.183 58.109 56.100 -0.290 0.000 0.943 47 R CB -0.770 29.251 30.300 -0.464 0.000 0.850 47 R HN 0.363 nan 8.270 nan 0.000 0.433 48 A N 1.759 124.457 122.820 -0.204 0.000 1.852 48 A HA -0.187 4.133 4.320 0.000 0.000 0.217 48 A C 1.769 179.303 177.584 -0.084 0.000 1.215 48 A CA 1.848 53.807 52.037 -0.129 0.000 0.641 48 A CB -0.780 18.145 19.000 -0.125 0.000 0.838 48 A HN 0.427 nan 8.150 nan 0.000 0.450 49 E N -0.223 119.933 120.200 -0.074 0.000 2.492 49 E HA -0.101 4.249 4.350 0.000 0.000 0.204 49 E C 1.530 178.117 176.600 -0.023 0.000 1.073 49 E CA 0.496 56.872 56.400 -0.039 0.000 0.887 49 E CB -0.312 29.370 29.700 -0.029 0.000 0.813 49 E HN 0.687 nan 8.360 nan 0.000 0.562 50 L N -0.570 120.630 121.223 -0.038 0.000 2.408 50 L HA -0.011 4.329 4.340 0.000 0.000 0.215 50 L C 1.329 178.191 176.870 -0.013 0.000 1.081 50 L CA 0.008 54.834 54.840 -0.023 0.000 0.840 50 L CB 0.144 42.174 42.059 -0.048 0.000 1.002 50 L HN 0.085 nan 8.230 nan 0.000 0.468 51 L N -0.163 121.045 121.223 -0.025 0.000 2.627 51 L HA 0.043 4.384 4.340 0.000 0.000 0.233 51 L C 1.254 178.128 176.870 0.007 0.000 1.144 51 L CA 0.861 55.696 54.840 -0.007 0.000 0.892 51 L CB -1.602 40.447 42.059 -0.015 0.000 1.039 51 L HN 0.225 nan 8.230 nan 0.000 0.442 52 N N -0.076 118.628 118.700 0.007 0.000 2.439 52 N HA -0.070 4.670 4.740 0.000 0.000 0.176 52 N C 0.468 175.996 175.510 0.030 0.000 1.029 52 N CA 0.314 53.372 53.050 0.013 0.000 0.886 52 N CB 0.293 38.784 38.487 0.006 0.000 1.057 52 N HN 0.154 nan 8.380 nan 0.000 0.437 53 D N 0.654 121.081 120.400 0.045 0.000 2.435 53 D HA 0.106 4.746 4.640 0.000 0.000 0.230 53 D C 0.350 176.700 176.300 0.083 0.000 1.215 53 D CA -0.019 54.026 54.000 0.076 0.000 0.947 53 D CB 0.161 41.034 40.800 0.120 0.000 1.048 53 D HN 0.007 nan 8.370 nan 0.000 0.512 54 R N 2.381 122.919 120.500 0.062 0.000 2.425 54 R HA -0.061 4.279 4.340 0.000 0.000 0.206 54 R C 1.077 177.429 176.300 0.087 0.000 1.117 54 R CA 0.431 56.568 56.100 0.062 0.000 1.098 54 R CB 0.265 30.590 30.300 0.042 0.000 0.843 54 R HN 0.219 nan 8.270 nan 0.000 0.480 55 K N 0.240 120.720 120.400 0.134 0.000 2.367 55 K HA 0.115 4.435 4.320 0.000 0.000 0.194 55 K C -0.121 176.632 176.600 0.256 0.000 1.027 55 K CA 0.250 56.669 56.287 0.221 0.000 1.075 55 K CB 0.843 33.519 32.500 0.292 0.000 0.845 55 K HN -0.065 nan 8.250 nan 0.000 0.529 56 V N 2.541 122.549 119.914 0.156 0.000 2.383 56 V HA 0.164 4.284 4.120 0.000 0.000 0.275 56 V C 1.506 177.656 176.094 0.093 0.000 1.036 56 V CA -0.131 62.220 62.300 0.085 0.000 0.889 56 V CB 1.478 33.325 31.823 0.040 0.000 0.985 56 V HN 0.106 nan 8.190 nan 0.000 0.459 57 L N 4.606 125.893 121.223 0.106 0.000 2.418 57 L HA 0.285 4.625 4.340 0.000 0.000 0.218 57 L C 0.052 177.070 176.870 0.246 0.000 1.125 57 L CA 0.931 55.855 54.840 0.141 0.000 0.835 57 L CB 0.165 42.295 42.059 0.119 0.000 0.953 57 L HN 0.587 nan 8.230 nan 0.000 0.454 58 F N -0.348 119.615 119.950 0.020 0.000 2.708 58 F HA 0.599 5.126 4.527 0.000 0.000 0.309 58 F C -1.617 174.201 175.800 0.029 0.000 1.120 58 F CA -1.024 56.990 58.000 0.024 0.000 0.978 58 F CB 1.267 40.281 39.000 0.024 0.000 1.283 58 F HN -0.331 nan 8.300 nan 0.000 0.439 59 A N 3.672 125.849 122.820 -1.071 0.000 2.538 59 A HA 0.823 5.143 4.320 0.000 0.000 0.293 59 A C -1.883 175.281 177.584 -0.699 0.000 1.065 59 A CA 0.184 51.754 52.037 -0.778 0.000 0.936 59 A CB 0.203 19.022 19.000 -0.302 0.000 1.481 59 A HN 1.890 nan 8.150 nan 0.000 0.394 60 A N 1.651 124.069 122.820 -0.670 0.000 2.479 60 A HA 1.042 5.362 4.320 0.000 0.000 0.296 60 A C -0.895 176.715 177.584 0.043 0.000 1.121 60 A CA -0.402 51.517 52.037 -0.197 0.000 0.743 60 A CB 1.231 20.198 19.000 -0.054 0.000 1.323 60 A HN 2.081 nan 8.150 nan 0.000 0.415 61 Y N -0.393 119.853 120.300 -0.090 0.000 2.625 61 Y HA 0.805 5.355 4.550 0.000 0.000 0.338 61 Y C -0.930 174.951 175.900 -0.033 0.000 1.123 61 Y CA -0.971 57.101 58.100 -0.045 0.000 1.046 61 Y CB 1.625 39.999 38.460 -0.143 0.000 1.299 61 Y HN 0.937 nan 8.280 nan 0.000 0.464 62 K N 0.600 120.658 120.400 -0.570 0.000 2.597 62 K HA 0.605 4.925 4.320 0.000 0.000 0.282 62 K C -2.023 174.366 176.600 -0.353 0.000 0.975 62 K CA -0.982 54.962 56.287 -0.570 0.000 0.867 62 K CB 2.340 34.711 32.500 -0.217 0.000 1.465 62 K HN 0.890 nan 8.250 nan 0.000 0.417 63 V N 0.278 120.003 119.914 -0.315 0.000 2.294 63 V HA 0.273 4.393 4.120 0.000 0.000 0.272 63 V C 1.085 177.139 176.094 -0.068 0.000 1.027 63 V CA -0.547 61.663 62.300 -0.150 0.000 0.823 63 V CB 0.910 32.615 31.823 -0.196 0.000 1.030 63 V HN 0.885 nan 8.190 nan 0.000 0.457 64 E N 2.461 122.660 120.200 -0.002 0.000 2.113 64 E HA -0.246 4.104 4.350 0.000 0.000 0.210 64 E C 0.469 177.073 176.600 0.007 0.000 1.040 64 E CA 2.587 58.994 56.400 0.013 0.000 0.847 64 E CB -0.041 29.692 29.700 0.056 0.000 0.755 64 E HN 1.029 nan 8.360 nan 0.000 0.459 65 H N -1.825 117.166 119.070 -0.130 0.000 3.086 65 H HA 0.114 4.670 4.556 0.000 0.000 0.353 65 H C -2.159 173.078 175.328 -0.152 0.000 1.134 65 H CA -1.071 54.839 56.048 -0.230 0.000 1.248 65 H CB 2.056 31.553 29.762 -0.443 0.000 1.878 65 H HN -0.229 nan 8.280 nan 0.000 0.527 66 P HA -0.170 nan 4.420 nan 0.000 0.221 66 P C 1.197 178.617 177.300 0.200 0.000 1.145 66 P CA 1.277 64.284 63.100 -0.156 0.000 0.795 66 P CB 0.078 31.662 31.700 -0.194 0.000 0.775 67 F N -0.714 119.282 119.950 0.076 0.000 2.171 67 F HA -0.035 4.492 4.527 0.000 0.000 0.300 67 F C 1.424 177.535 175.800 0.518 0.000 1.090 67 F CA 0.125 58.284 58.000 0.265 0.000 1.293 67 F CB -0.239 38.901 39.000 0.233 0.000 1.013 67 F HN -0.210 nan 8.300 nan 0.000 0.486 68 F N 0.333 120.503 119.950 0.367 0.000 2.404 68 F HA 0.477 5.004 4.527 0.000 0.000 0.354 68 F C 0.336 176.231 175.800 0.159 0.000 1.122 68 F CA -1.424 56.702 58.000 0.210 0.000 1.080 68 F CB 0.984 40.087 39.000 0.173 0.000 1.131 68 F HN -0.309 nan 8.300 nan 0.000 0.471 69 A N 6.142 129.150 122.820 0.314 0.000 2.805 69 A HA 0.482 4.802 4.320 0.000 0.000 0.301 69 A C 0.065 177.783 177.584 0.222 0.000 1.557 69 A CA -0.337 51.841 52.037 0.235 0.000 1.254 69 A CB -0.438 18.684 19.000 0.205 0.000 1.114 69 A HN 0.994 nan 8.150 nan 0.000 0.553 70 R N 0.435 121.076 120.500 0.235 0.000 2.929 70 R HA 0.896 5.236 4.340 0.000 0.000 0.259 70 R C -0.981 175.488 176.300 0.281 0.000 1.141 70 R CA -0.743 55.474 56.100 0.195 0.000 0.991 70 R CB 1.111 31.510 30.300 0.165 0.000 1.287 70 R HN 0.989 nan 8.270 nan 0.000 0.450 71 F N -2.270 117.737 119.950 0.095 0.000 2.767 71 F HA 0.479 5.006 4.527 0.000 0.000 0.317 71 F C -2.156 173.708 175.800 0.106 0.000 1.119 71 F CA -1.171 56.839 58.000 0.016 0.000 0.971 71 F CB 1.291 40.236 39.000 -0.091 0.000 1.251 71 F HN 0.479 nan 8.300 nan 0.000 0.450 72 K N 2.644 123.242 120.400 0.330 0.000 2.182 72 K HA 0.742 5.062 4.320 0.000 0.000 0.262 72 K C -1.819 175.012 176.600 0.385 0.000 0.957 72 K CA -1.102 55.345 56.287 0.266 0.000 0.842 72 K CB 2.234 34.824 32.500 0.150 0.000 1.099 72 K HN 0.715 nan 8.250 nan 0.000 0.438 73 L N 3.351 124.807 121.223 0.388 0.000 2.349 73 L HA 0.390 4.730 4.340 0.000 0.000 0.278 73 L C -0.905 176.097 176.870 0.220 0.000 0.996 73 L CA -0.342 54.714 54.840 0.360 0.000 0.825 73 L CB 1.362 43.718 42.059 0.495 0.000 1.243 73 L HN 0.544 nan 8.230 nan 0.000 0.412 74 R N 6.131 126.709 120.500 0.130 0.000 2.338 74 R HA 0.738 5.078 4.340 0.000 0.000 0.317 74 R C -1.560 174.742 176.300 0.002 0.000 0.968 74 R CA -0.468 55.696 56.100 0.106 0.000 0.849 74 R CB 0.824 31.241 30.300 0.196 0.000 1.128 74 R HN 0.760 nan 8.270 nan 0.000 0.448 75 I N 3.190 123.791 120.570 0.052 0.000 2.647 75 I HA 0.324 4.494 4.170 0.000 0.000 0.295 75 I C -0.808 175.354 176.117 0.076 0.000 1.078 75 I CA -0.881 60.427 61.300 0.013 0.000 1.048 75 I CB 2.313 40.306 38.000 -0.012 0.000 1.239 75 I HN 0.583 nan 8.210 nan 0.000 0.421 76 Q N 4.605 124.466 119.800 0.101 0.000 2.289 76 Q HA 0.546 4.886 4.340 0.000 0.000 0.270 76 Q C -1.506 174.527 176.000 0.055 0.000 1.038 76 Q CA -0.501 55.363 55.803 0.102 0.000 0.812 76 Q CB 2.760 31.612 28.738 0.190 0.000 1.300 76 Q HN 0.866 nan 8.270 nan 0.000 0.427 77 T N -0.335 114.215 114.554 -0.008 0.000 2.883 77 T HA 0.567 4.917 4.350 0.000 0.000 0.284 77 T C 0.439 175.174 174.700 0.058 0.000 1.041 77 T CA -0.501 61.589 62.100 -0.017 0.000 1.007 77 T CB 1.151 69.868 68.868 -0.252 0.000 1.220 77 T HN 0.531 nan 8.240 nan 0.000 0.552 78 T N 0.846 115.484 114.554 0.141 0.000 2.589 78 T HA 0.198 4.548 4.350 0.000 0.000 0.342 78 T C 0.524 175.303 174.700 0.132 0.000 1.044 78 T CA -0.401 61.788 62.100 0.147 0.000 1.020 78 T CB -0.063 68.916 68.868 0.186 0.000 1.070 78 T HN 0.824 nan 8.240 nan 0.000 0.524 79 E N 0.161 120.425 120.200 0.106 0.000 2.425 79 E HA 0.325 4.676 4.350 0.000 0.000 0.258 79 E C 1.378 178.047 176.600 0.117 0.000 1.151 79 E CA 0.915 57.367 56.400 0.086 0.000 0.958 79 E CB -0.396 29.340 29.700 0.061 0.000 0.968 79 E HN 0.861 nan 8.360 nan 0.000 0.451 80 G N 2.622 111.476 108.800 0.090 0.000 2.477 80 G HA2 -0.308 3.652 3.960 0.000 0.000 0.310 80 G HA3 -0.308 3.652 3.960 0.000 0.000 0.310 80 G C -0.358 174.643 174.900 0.168 0.000 0.876 80 G CA 1.411 46.570 45.100 0.098 0.000 0.929 80 G HN 0.502 nan 8.290 nan 0.000 0.507 81 Y N 0.102 120.413 120.300 0.019 0.000 2.326 81 Y HA 0.419 4.970 4.550 0.000 0.000 0.329 81 Y C -0.451 175.462 175.900 0.023 0.000 0.973 81 Y CA -1.623 56.489 58.100 0.020 0.000 1.162 81 Y CB 1.424 39.897 38.460 0.021 0.000 1.147 81 Y HN 0.117 nan 8.280 nan 0.000 0.456 82 D N 8.911 129.352 120.400 0.069 0.000 2.348 82 D HA 0.090 4.730 4.640 0.000 0.000 0.253 82 D C -1.673 174.438 176.300 -0.315 0.000 1.161 82 D CA -1.920 52.024 54.000 -0.094 0.000 0.876 82 D CB 2.094 42.892 40.800 -0.004 0.000 1.160 82 D HN 0.399 nan 8.370 nan 0.000 0.459 83 P HA -0.183 nan 4.420 nan 0.000 0.215 83 P C 1.011 178.212 177.300 -0.165 0.000 1.153 83 P CA 1.196 64.122 63.100 -0.291 0.000 0.853 83 P CB 0.455 32.063 31.700 -0.153 0.000 0.788 84 K N -0.203 120.142 120.400 -0.091 0.000 2.107 84 K HA -0.196 4.124 4.320 0.000 0.000 0.211 84 K C 2.023 178.610 176.600 -0.021 0.000 1.049 84 K CA 1.899 58.161 56.287 -0.042 0.000 0.927 84 K CB -0.580 31.902 32.500 -0.030 0.000 0.714 84 K HN 0.197 nan 8.250 nan 0.000 0.452 85 D N 0.430 120.822 120.400 -0.013 0.000 2.078 85 D HA -0.147 4.493 4.640 0.000 0.000 0.193 85 D C 1.978 178.322 176.300 0.074 0.000 0.990 85 D CA 1.517 55.554 54.000 0.063 0.000 0.827 85 D CB -0.227 40.674 40.800 0.169 0.000 0.975 85 D HN 0.231 nan 8.370 nan 0.000 0.451 86 A N 1.016 123.839 122.820 0.004 0.000 2.042 86 A HA -0.197 4.123 4.320 0.000 0.000 0.222 86 A C 2.123 179.727 177.584 0.034 0.000 1.167 86 A CA 1.106 53.171 52.037 0.046 0.000 0.649 86 A CB -0.554 18.355 19.000 -0.151 0.000 0.809 86 A HN 0.257 nan 8.150 nan 0.000 0.457 87 L N -0.638 120.591 121.223 0.011 0.000 2.072 87 L HA -0.026 4.314 4.340 0.000 0.000 0.205 87 L C 2.075 178.976 176.870 0.053 0.000 1.079 87 L CA 2.037 56.901 54.840 0.040 0.000 0.752 87 L CB -0.681 41.405 42.059 0.044 0.000 0.906 87 L HN 0.316 nan 8.230 nan 0.000 0.436 88 K N -0.204 120.224 120.400 0.047 0.000 1.978 88 K HA -0.160 4.160 4.320 0.000 0.000 0.214 88 K C 1.940 178.572 176.600 0.054 0.000 1.049 88 K CA 1.657 57.973 56.287 0.048 0.000 0.939 88 K CB -0.354 32.174 32.500 0.046 0.000 0.721 88 K HN 0.406 nan 8.250 nan 0.000 0.441 89 N N 1.027 119.768 118.700 0.067 0.000 2.005 89 N HA -0.234 4.506 4.740 0.000 0.000 0.199 89 N C 1.872 177.414 175.510 0.053 0.000 1.054 89 N CA 1.816 54.905 53.050 0.066 0.000 0.864 89 N CB -0.708 37.836 38.487 0.095 0.000 1.063 89 N HN 0.236 nan 8.380 nan 0.000 0.428 90 A N 0.498 123.352 122.820 0.057 0.000 2.093 90 A HA -0.205 4.115 4.320 0.000 0.000 0.222 90 A C 2.702 180.305 177.584 0.031 0.000 1.162 90 A CA 1.659 53.718 52.037 0.038 0.000 0.655 90 A CB -1.110 17.909 19.000 0.032 0.000 0.805 90 A HN 0.568 nan 8.150 nan 0.000 0.461 91 C N -0.646 118.679 119.300 0.042 0.000 2.475 91 C HA -0.001 4.459 4.460 0.000 0.000 0.279 91 C C 2.590 177.601 174.990 0.035 0.000 1.322 91 C CA 1.030 60.075 59.018 0.045 0.000 1.734 91 C CB -1.342 26.436 27.740 0.063 0.000 2.005 91 C HN 0.660 nan 8.230 nan 0.000 0.495 92 N N 0.571 119.292 118.700 0.034 0.000 2.106 92 N HA -0.117 4.623 4.740 0.000 0.000 0.188 92 N C 1.994 177.517 175.510 0.022 0.000 1.029 92 N CA 1.572 54.638 53.050 0.028 0.000 0.848 92 N CB -0.679 37.825 38.487 0.029 0.000 1.007 92 N HN 0.570 nan 8.380 nan 0.000 0.423 93 S N 1.133 116.846 115.700 0.022 0.000 2.402 93 S HA -0.078 4.392 4.470 0.000 0.000 0.233 93 S C 2.010 176.616 174.600 0.010 0.000 1.030 93 S CA 0.677 58.887 58.200 0.016 0.000 1.003 93 S CB -0.211 62.999 63.200 0.017 0.000 0.813 93 S HN 0.215 nan 8.310 nan 0.000 0.477 94 I N 1.009 121.584 120.570 0.009 0.000 2.163 94 I HA -0.165 4.005 4.170 0.000 0.000 0.240 94 I C 2.284 178.403 176.117 0.003 0.000 1.081 94 I CA 1.460 62.761 61.300 0.001 0.000 1.353 94 I CB -0.551 37.450 38.000 0.001 0.000 1.054 94 I HN 0.362 nan 8.210 nan 0.000 0.407 95 I N 0.728 121.304 120.570 0.010 0.000 2.179 95 I HA -0.311 3.859 4.170 0.000 0.000 0.242 95 I C 2.352 178.475 176.117 0.009 0.000 1.088 95 I CA 1.347 62.654 61.300 0.010 0.000 1.357 95 I CB -0.684 37.325 38.000 0.015 0.000 1.051 95 I HN 0.334 nan 8.210 nan 0.000 0.409 96 N N 1.360 120.067 118.700 0.011 0.000 2.043 96 N HA -0.205 4.535 4.740 0.000 0.000 0.193 96 N C 1.823 177.339 175.510 0.010 0.000 1.037 96 N CA 1.496 54.553 53.050 0.011 0.000 0.851 96 N CB -0.230 38.264 38.487 0.012 0.000 1.027 96 N HN 0.380 nan 8.380 nan 0.000 0.422 97 K N 0.913 121.317 120.400 0.006 0.000 2.089 97 K HA -0.103 4.217 4.320 0.000 0.000 0.210 97 K C 2.149 178.751 176.600 0.003 0.000 1.048 97 K CA 0.984 57.274 56.287 0.004 0.000 0.926 97 K CB -0.162 32.337 32.500 -0.002 0.000 0.714 97 K HN 0.177 nan 8.250 nan 0.000 0.448 98 L N -0.477 120.746 121.223 -0.001 0.000 2.179 98 L HA -0.056 4.284 4.340 0.000 0.000 0.208 98 L C 2.459 179.332 176.870 0.004 0.000 1.096 98 L CA 0.948 55.785 54.840 -0.005 0.000 0.779 98 L CB -0.594 41.458 42.059 -0.012 0.000 0.922 98 L HN 0.373 nan 8.230 nan 0.000 0.443 99 G N -0.212 108.594 108.800 0.009 0.000 2.421 99 G HA2 -0.266 3.694 3.960 0.000 0.000 0.216 99 G HA3 -0.266 3.694 3.960 0.000 0.000 0.216 99 G C 1.765 176.679 174.900 0.023 0.000 1.171 99 G CA 0.833 45.942 45.100 0.015 0.000 0.775 99 G HN 0.450 nan 8.290 nan 0.000 0.543 100 A N 0.649 123.483 122.820 0.023 0.000 1.865 100 A HA 0.003 4.323 4.320 0.000 0.000 0.217 100 A C 2.399 180.009 177.584 0.042 0.000 1.191 100 A CA 1.533 53.588 52.037 0.030 0.000 0.623 100 A CB -0.690 18.325 19.000 0.025 0.000 0.826 100 A HN 0.374 nan 8.150 nan 0.000 0.444 101 L N -0.374 120.870 121.223 0.035 0.000 1.978 101 L HA -0.300 4.040 4.340 0.000 0.000 0.218 101 L C 2.682 179.599 176.870 0.078 0.000 1.075 101 L CA 2.596 57.464 54.840 0.046 0.000 0.767 101 L CB -0.411 41.653 42.059 0.008 0.000 0.890 101 L HN 0.559 nan 8.230 nan 0.000 0.434 102 K N -0.883 119.547 120.400 0.051 0.000 2.032 102 K HA -0.259 4.061 4.320 0.000 0.000 0.218 102 K C 1.843 178.518 176.600 0.125 0.000 1.054 102 K CA 2.660 58.991 56.287 0.073 0.000 0.941 102 K CB -0.383 32.139 32.500 0.038 0.000 0.720 102 K HN 0.409 nan 8.250 nan 0.000 0.449 103 T N 1.798 116.404 114.554 0.086 0.000 2.607 103 T HA -0.136 4.214 4.350 0.000 0.000 0.267 103 T C 1.629 176.386 174.700 0.095 0.000 1.049 103 T CA 1.650 63.797 62.100 0.078 0.000 1.162 103 T CB -0.448 68.452 68.868 0.053 0.000 0.863 103 T HN 0.334 nan 8.240 nan 0.000 0.424 104 N N 0.513 119.272 118.700 0.099 0.000 2.430 104 N HA -0.062 4.678 4.740 0.000 0.000 0.186 104 N C 1.346 176.943 175.510 0.145 0.000 1.032 104 N CA 0.740 53.850 53.050 0.100 0.000 0.893 104 N CB -0.314 38.227 38.487 0.090 0.000 0.957 104 N HN 0.390 nan 8.380 nan 0.000 0.442 105 F N 1.452 121.424 119.950 0.037 0.000 2.698 105 F HA 0.136 4.663 4.527 0.000 0.000 0.295 105 F C 1.928 177.780 175.800 0.087 0.000 1.124 105 F CA 0.376 58.408 58.000 0.052 0.000 1.426 105 F CB 0.355 39.363 39.000 0.013 0.000 1.120 105 F HN -0.051 nan 8.300 nan 0.000 0.583 106 E N -0.515 119.726 120.200 0.068 0.000 2.075 106 E HA -0.100 4.250 4.350 0.000 0.000 0.190 106 E C 2.173 178.799 176.600 0.044 0.000 0.969 106 E CA 1.560 57.980 56.400 0.034 0.000 0.815 106 E CB -0.254 29.492 29.700 0.076 0.000 0.776 106 E HN 0.411 nan 8.360 nan 0.000 0.457 107 T N 0.547 115.121 114.554 0.033 0.000 2.708 107 T HA -0.155 4.195 4.350 0.000 0.000 0.266 107 T C 1.778 176.476 174.700 -0.004 0.000 1.037 107 T CA 0.847 62.960 62.100 0.022 0.000 1.146 107 T CB -0.255 68.625 68.868 0.019 0.000 0.865 107 T HN -0.059 nan 8.240 nan 0.000 0.435 108 E N 0.325 120.510 120.200 -0.025 0.000 2.086 108 E HA -0.172 4.178 4.350 0.000 0.000 0.200 108 E C 1.743 178.292 176.600 -0.084 0.000 1.012 108 E CA 1.381 57.745 56.400 -0.059 0.000 0.812 108 E CB -0.529 29.128 29.700 -0.072 0.000 0.743 108 E HN 0.755 nan 8.360 nan 0.000 0.453 109 W N 2.098 123.182 121.300 -0.360 0.000 2.329 109 W HA -0.241 4.419 4.660 0.000 0.000 0.324 109 W C 1.628 178.038 176.519 -0.181 0.000 1.222 109 W CA 1.574 58.709 57.345 -0.349 0.000 1.270 109 W CB -0.648 28.537 29.460 -0.459 0.000 1.167 109 W HN 0.070 nan 8.180 nan 0.000 0.467 110 N N 1.182 119.855 118.700 -0.045 0.000 2.144 110 N HA -0.243 4.497 4.740 0.000 0.000 0.195 110 N C 1.542 176.920 175.510 -0.220 0.000 1.006 110 N CA 2.207 55.175 53.050 -0.136 0.000 0.880 110 N CB -1.073 37.413 38.487 -0.002 0.000 1.018 110 N HN 0.333 nan 8.380 nan 0.000 0.443 111 L N 0.954 122.070 121.223 -0.178 0.000 2.762 111 L HA 0.012 4.352 4.340 0.000 0.000 0.250 111 L C 0.166 176.906 176.870 -0.217 0.000 1.160 111 L CA 0.398 55.143 54.840 -0.158 0.000 0.951 111 L CB -0.382 41.615 42.059 -0.103 0.000 1.148 111 L HN 0.023 nan 8.230 nan 0.000 0.424 112 Q N 0.441 120.029 119.800 -0.352 0.000 2.309 112 Q HA 0.463 4.803 4.340 0.000 0.000 0.264 112 Q C -0.319 175.478 176.000 -0.338 0.000 1.008 112 Q CA -0.135 55.434 55.803 -0.389 0.000 0.853 112 Q CB 2.428 30.788 28.738 -0.630 0.000 1.314 112 Q HN -0.051 nan 8.270 nan 0.000 0.448 113 T N 2.706 117.117 114.554 -0.237 0.000 3.009 113 T HA 0.700 5.050 4.350 0.000 0.000 0.346 113 T C -0.276 174.340 174.700 -0.140 0.000 1.092 113 T CA -0.397 61.599 62.100 -0.172 0.000 1.080 113 T CB 0.287 69.084 68.868 -0.118 0.000 1.037 113 T HN 0.467 nan 8.240 nan 0.000 0.487 114 L N 0.000 121.138 121.223 -0.141 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 -0.091 0.000 0.813 114 L CB 0.000 42.010 42.059 -0.082 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502