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 2e2h_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 0.000 176.280 176.300 -0.033 0.000 1.140 1 M CA 0.000 55.283 55.300 -0.029 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.018 0.000 1.302 2 N N 1.253 119.930 118.700 -0.038 0.000 2.322 2 N HA 0.287 5.028 4.740 0.002 0.000 0.181 2 N C 0.392 175.857 175.510 -0.075 0.000 1.088 2 N CA 0.624 53.650 53.050 -0.040 0.000 0.885 2 N CB 0.748 39.224 38.487 -0.019 0.000 1.013 2 N HN 0.395 nan 8.380 nan 0.000 0.472 3 A N 3.358 126.120 122.820 -0.096 0.000 2.548 3 A HA 0.192 4.513 4.320 0.002 0.000 0.247 3 A C -1.746 175.733 177.584 -0.175 0.000 1.067 3 A CA -0.626 51.323 52.037 -0.147 0.000 0.757 3 A CB -0.364 18.556 19.000 -0.133 0.000 0.996 3 A HN 0.084 nan 8.150 nan 0.000 0.504 4 P HA 0.194 nan 4.420 nan 0.000 0.271 4 P C -0.752 176.371 177.300 -0.294 0.000 1.218 4 P CA -0.379 62.569 63.100 -0.253 0.000 0.780 4 P CB 0.502 32.017 31.700 -0.309 0.000 0.901 5 D N 1.770 121.943 120.400 -0.377 0.000 2.443 5 D HA 0.014 4.655 4.640 0.002 0.000 0.239 5 D C 1.690 177.642 176.300 -0.581 0.000 1.136 5 D CA -0.063 53.595 54.000 -0.570 0.000 0.879 5 D CB 0.560 40.776 40.800 -0.973 0.000 1.195 5 D HN 0.172 nan 8.370 nan 0.000 0.443 6 R N 2.033 122.267 120.500 -0.443 0.000 2.120 6 R HA -0.131 4.210 4.340 0.002 0.000 0.234 6 R C 1.903 178.082 176.300 -0.202 0.000 1.123 6 R CA 0.835 56.799 56.100 -0.227 0.000 0.975 6 R CB -0.629 29.631 30.300 -0.067 0.000 0.866 6 R HN 0.609 nan 8.270 nan 0.000 0.446 7 F N 0.879 120.719 119.950 -0.183 0.000 2.802 7 F HA 0.165 4.691 4.527 -0.002 0.000 0.300 7 F C 0.725 176.159 175.800 -0.610 0.000 1.168 7 F CA -0.137 57.564 58.000 -0.500 0.000 1.433 7 F CB -0.671 38.082 39.000 -0.411 0.000 1.115 7 F HN -0.124 nan 8.300 nan 0.000 0.582 8 E N 1.093 121.059 120.200 -0.390 0.000 2.322 8 E HA 0.117 4.468 4.350 0.002 0.000 0.195 8 E C 0.921 177.435 176.600 -0.143 0.000 1.198 8 E CA 0.012 56.279 56.400 -0.221 0.000 1.132 8 E CB -0.383 29.176 29.700 -0.234 0.000 1.213 8 E HN 0.592 nan 8.360 nan 0.000 0.450 9 L N -0.765 120.355 121.223 -0.173 0.000 2.966 9 L HA 0.233 4.574 4.340 0.002 0.000 0.262 9 L C 0.643 177.660 176.870 0.244 0.000 1.165 9 L CA -0.031 54.843 54.840 0.057 0.000 0.978 9 L CB 0.181 42.336 42.059 0.161 0.000 1.337 9 L HN 0.273 nan 8.230 nan 0.000 0.563 10 F N -4.099 115.907 119.950 0.093 0.000 2.596 10 F HA 0.283 4.812 4.527 0.003 0.000 0.397 10 F C 0.048 175.898 175.800 0.083 0.000 0.823 10 F CA -0.754 57.295 58.000 0.083 0.000 0.955 10 F CB 0.065 39.106 39.000 0.068 0.000 1.061 10 F HN -0.270 nan 8.300 nan 0.000 0.604 11 L N 4.069 125.111 121.223 -0.303 0.000 2.534 11 L HA 0.253 4.594 4.340 0.002 0.000 0.271 11 L C -0.524 176.340 176.870 -0.011 0.000 1.178 11 L CA 0.198 54.976 54.840 -0.103 0.000 0.907 11 L CB 0.522 42.500 42.059 -0.135 0.000 1.164 11 L HN 0.139 nan 8.230 nan 0.000 0.482 12 L N 4.795 126.032 121.223 0.023 0.000 2.278 12 L HA 0.465 4.806 4.340 0.002 0.000 0.287 12 L C 1.072 177.953 176.870 0.018 0.000 1.072 12 L CA 0.094 54.950 54.840 0.026 0.000 0.819 12 L CB 0.374 42.450 42.059 0.028 0.000 1.176 12 L HN 0.621 nan 8.230 nan 0.000 0.435 13 G N 2.074 110.890 108.800 0.025 0.000 2.683 13 G HA2 0.210 4.171 3.960 0.002 0.000 0.260 13 G HA3 0.210 4.171 3.960 0.002 0.000 0.260 13 G C -0.226 174.682 174.900 0.013 0.000 1.238 13 G CA -0.651 44.464 45.100 0.026 0.000 0.934 13 G HN 0.663 nan 8.290 nan 0.000 0.534 14 E N -0.478 119.729 120.200 0.011 0.000 2.392 14 E HA 0.360 4.711 4.350 0.002 0.000 0.264 14 E C 0.974 177.574 176.600 0.001 0.000 1.024 14 E CA 0.709 57.111 56.400 0.004 0.000 0.903 14 E CB 0.584 30.286 29.700 0.004 0.000 0.963 14 E HN 0.911 nan 8.360 nan 0.000 0.432 15 G N 3.111 111.909 108.800 -0.004 0.000 2.338 15 G HA2 -0.319 3.642 3.960 0.002 0.000 0.296 15 G HA3 -0.319 3.642 3.960 0.002 0.000 0.296 15 G C -0.397 174.497 174.900 -0.010 0.000 1.040 15 G CA 0.337 45.432 45.100 -0.008 0.000 1.004 15 G HN 0.553 nan 8.290 nan 0.000 0.509 16 E N -0.005 120.189 120.200 -0.010 0.000 2.265 16 E HA 0.429 4.780 4.350 0.002 0.000 0.262 16 E C -0.362 176.227 176.600 -0.018 0.000 0.889 16 E CA -0.581 55.812 56.400 -0.012 0.000 0.789 16 E CB 1.483 31.182 29.700 -0.001 0.000 1.221 16 E HN 0.233 nan 8.360 nan 0.000 0.414 17 S N 2.258 117.939 115.700 -0.032 0.000 2.586 17 S HA 0.172 4.643 4.470 0.002 0.000 0.274 17 S C 0.945 175.510 174.600 -0.058 0.000 1.281 17 S CA -0.865 57.308 58.200 -0.045 0.000 1.035 17 S CB 1.646 64.812 63.200 -0.056 0.000 0.962 17 S HN 0.425 nan 8.310 nan 0.000 0.512 18 K N 0.757 121.118 120.400 -0.065 0.000 2.432 18 K HA 0.192 4.513 4.320 0.002 0.000 0.196 18 K C -0.292 176.202 176.600 -0.177 0.000 1.038 18 K CA 0.639 56.877 56.287 -0.083 0.000 0.986 18 K CB -0.124 32.343 32.500 -0.054 0.000 0.782 18 K HN 0.552 nan 8.250 nan 0.000 0.485 19 L N 0.871 121.985 121.223 -0.181 0.000 2.431 19 L HA 0.366 4.707 4.340 0.002 0.000 0.266 19 L C -0.742 176.026 176.870 -0.170 0.000 0.978 19 L CA -0.712 53.975 54.840 -0.254 0.000 0.822 19 L CB 2.457 44.335 42.059 -0.301 0.000 1.310 19 L HN -0.228 nan 8.230 nan 0.000 0.409 20 K N 3.373 123.672 120.400 -0.168 0.000 2.324 20 K HA 0.682 5.003 4.320 0.002 0.000 0.253 20 K C -1.528 175.013 176.600 -0.098 0.000 0.932 20 K CA -0.569 55.653 56.287 -0.107 0.000 0.799 20 K CB 2.184 34.637 32.500 -0.079 0.000 1.154 20 K HN 0.504 nan 8.250 nan 0.000 0.425 21 I N 2.932 123.460 120.570 -0.071 0.000 2.436 21 I HA 0.293 4.464 4.170 0.002 0.000 0.289 21 I C -0.975 175.123 176.117 -0.031 0.000 1.010 21 I CA -0.617 60.653 61.300 -0.051 0.000 1.098 21 I CB 1.872 39.841 38.000 -0.052 0.000 1.266 21 I HN 0.512 nan 8.210 nan 0.000 0.434 22 D N 7.569 127.959 120.400 -0.017 0.000 2.964 22 D HA 0.349 4.990 4.640 0.002 0.000 0.234 22 D C -2.634 173.665 176.300 -0.001 0.000 1.223 22 D CA -1.161 52.833 54.000 -0.010 0.000 0.889 22 D CB 3.122 43.917 40.800 -0.008 0.000 1.609 22 D HN 0.077 nan 8.370 nan 0.000 0.523 23 P HA 0.108 nan 4.420 nan 0.000 0.272 23 P C -0.446 176.855 177.300 0.001 0.000 1.223 23 P CA -0.320 62.780 63.100 -0.000 0.000 0.784 23 P CB 0.732 32.429 31.700 -0.005 0.000 0.923 24 D N 0.328 120.730 120.400 0.003 0.000 2.401 24 D HA 0.010 4.651 4.640 0.002 0.000 0.254 24 D C 1.188 177.482 176.300 -0.011 0.000 1.192 24 D CA 0.474 54.472 54.000 -0.004 0.000 0.885 24 D CB 0.400 41.194 40.800 -0.011 0.000 1.147 24 D HN 0.331 nan 8.370 nan 0.000 0.478 25 T N 0.996 115.543 114.554 -0.012 0.000 2.977 25 T HA -0.128 4.223 4.350 0.002 0.000 0.271 25 T C 1.268 175.958 174.700 -0.017 0.000 1.105 25 T CA 0.922 63.014 62.100 -0.013 0.000 1.116 25 T CB 0.128 68.989 68.868 -0.012 0.000 0.878 25 T HN 0.267 nan 8.240 nan 0.000 0.509 26 K N 1.105 121.491 120.400 -0.024 0.000 2.309 26 K HA 0.511 4.832 4.320 0.002 0.000 0.210 26 K C 1.252 177.833 176.600 -0.031 0.000 1.114 26 K CA 0.564 56.834 56.287 -0.029 0.000 0.912 26 K CB -0.095 32.383 32.500 -0.037 0.000 1.198 26 K HN 0.391 nan 8.250 nan 0.000 0.471 27 A N 3.969 126.765 122.820 -0.040 0.000 2.322 27 A HA 0.423 4.744 4.320 0.002 0.000 0.269 27 A C -2.328 175.244 177.584 -0.020 0.000 1.094 27 A CA -1.051 50.963 52.037 -0.037 0.000 0.807 27 A CB -0.088 18.875 19.000 -0.061 0.000 1.047 27 A HN 0.033 nan 8.150 nan 0.000 0.487 28 P HA 0.262 nan 4.420 nan 0.000 0.290 28 P C -0.315 176.988 177.300 0.005 0.000 1.275 28 P CA -0.494 62.604 63.100 -0.003 0.000 0.841 28 P CB 0.798 32.498 31.700 0.001 0.000 1.042 29 N N -0.610 118.093 118.700 0.006 0.000 2.758 29 N HA -0.162 4.579 4.740 0.002 0.000 0.248 29 N C -1.191 174.327 175.510 0.014 0.000 1.076 29 N CA 1.099 54.154 53.050 0.009 0.000 0.696 29 N CB -1.372 37.127 38.487 0.020 0.000 0.979 29 N HN 0.732 nan 8.380 nan 0.000 0.550 30 A N -0.831 121.997 122.820 0.013 0.000 2.515 30 A HA 0.793 5.114 4.320 0.002 0.000 0.298 30 A C -0.611 176.990 177.584 0.027 0.000 1.059 30 A CA -0.377 51.678 52.037 0.030 0.000 0.698 30 A CB 2.224 21.239 19.000 0.026 0.000 1.289 30 A HN 0.176 nan 8.150 nan 0.000 0.404 31 V N 0.808 120.751 119.914 0.050 0.000 2.841 31 V HA 0.546 4.667 4.120 0.002 0.000 0.310 31 V C -0.637 175.505 176.094 0.081 0.000 1.090 31 V CA -0.712 61.615 62.300 0.045 0.000 0.930 31 V CB 1.850 33.689 31.823 0.026 0.000 1.014 31 V HN 0.708 nan 8.190 nan 0.000 0.425 32 V N 5.215 125.169 119.914 0.068 0.000 2.350 32 V HA 0.498 4.619 4.120 0.002 0.000 0.276 32 V C -0.251 175.886 176.094 0.072 0.000 1.028 32 V CA -0.201 62.154 62.300 0.092 0.000 0.860 32 V CB 1.336 33.205 31.823 0.075 0.000 0.990 32 V HN 0.674 nan 8.190 nan 0.000 0.453 33 I N 3.957 124.591 120.570 0.106 0.000 2.362 33 I HA 0.301 4.472 4.170 0.002 0.000 0.289 33 I C 0.366 176.523 176.117 0.067 0.000 0.994 33 I CA -0.179 61.151 61.300 0.050 0.000 1.158 33 I CB 2.004 40.024 38.000 0.033 0.000 1.315 33 I HN 0.481 nan 8.210 nan 0.000 0.451 34 T N 6.758 121.289 114.554 -0.039 0.000 2.863 34 T HA 0.291 4.642 4.350 0.002 0.000 0.299 34 T C -0.176 174.423 174.700 -0.168 0.000 0.973 34 T CA -0.160 61.909 62.100 -0.051 0.000 0.994 34 T CB -0.580 68.257 68.868 -0.051 0.000 0.961 34 T HN 0.103 nan 8.240 nan 0.000 0.552 35 F N 3.423 123.127 119.950 -0.411 0.000 2.466 35 F HA 0.193 4.720 4.527 0.001 0.000 0.363 35 F C 1.285 176.850 175.800 -0.391 0.000 1.109 35 F CA -0.341 57.318 58.000 -0.569 0.000 1.161 35 F CB 0.389 38.531 39.000 -1.430 0.000 1.117 35 F HN 0.384 nan 8.300 nan 0.000 0.539 36 E N 3.398 123.544 120.200 -0.089 0.000 2.280 36 E HA 0.141 4.492 4.350 0.002 0.000 0.264 36 E C -0.007 176.633 176.600 0.066 0.000 1.064 36 E CA -0.699 55.697 56.400 -0.006 0.000 0.900 36 E CB 0.781 30.471 29.700 -0.017 0.000 1.123 36 E HN 0.283 nan 8.360 nan 0.000 0.418 37 K N 2.045 122.505 120.400 0.100 0.000 4.444 37 K HA -0.217 4.104 4.320 0.002 0.000 0.281 37 K C -0.318 176.396 176.600 0.191 0.000 0.817 37 K CA 1.045 57.416 56.287 0.140 0.000 0.793 37 K CB -0.979 31.593 32.500 0.120 0.000 1.784 37 K HN 0.434 nan 8.250 nan 0.000 0.424 38 E N 0.439 120.780 120.200 0.236 0.000 2.388 38 E HA 0.168 4.519 4.350 0.002 0.000 0.281 38 E C -0.570 176.229 176.600 0.331 0.000 1.046 38 E CA -0.618 55.967 56.400 0.310 0.000 0.825 38 E CB 1.576 31.551 29.700 0.457 0.000 1.243 38 E HN 0.341 nan 8.360 nan 0.000 0.438 39 D N -0.982 119.516 120.400 0.163 0.000 2.595 39 D HA 0.151 4.792 4.640 0.002 0.000 0.268 39 D C 0.556 176.682 176.300 -0.289 0.000 1.181 39 D CA -0.240 53.718 54.000 -0.070 0.000 1.085 39 D CB -0.018 40.689 40.800 -0.154 0.000 1.186 39 D HN 0.551 nan 8.370 nan 0.000 0.621 40 H N -1.807 117.140 119.070 -0.205 0.000 2.713 40 H HA 0.317 4.875 4.556 0.002 0.000 0.294 40 H C -0.124 175.063 175.328 -0.235 0.000 1.366 40 H CA -0.361 55.458 56.048 -0.382 0.000 1.139 40 H CB -0.673 29.025 29.762 -0.107 0.000 1.487 40 H HN 0.212 nan 8.280 nan 0.000 0.504 41 T N 0.109 114.631 114.554 -0.053 0.000 2.937 41 T HA -0.084 4.267 4.350 0.002 0.000 0.260 41 T C 1.841 176.448 174.700 -0.155 0.000 1.051 41 T CA 0.122 62.180 62.100 -0.071 0.000 1.141 41 T CB 0.147 68.998 68.868 -0.028 0.000 0.879 41 T HN 0.212 nan 8.240 nan 0.000 0.459 42 L N 1.337 122.437 121.223 -0.204 0.000 2.209 42 L HA 0.370 4.711 4.340 0.002 0.000 0.207 42 L C 2.583 179.085 176.870 -0.613 0.000 1.094 42 L CA 1.090 55.791 54.840 -0.231 0.000 0.790 42 L CB -1.010 41.071 42.059 0.037 0.000 0.932 42 L HN 0.332 nan 8.230 nan 0.000 0.447 43 G N -0.809 107.275 108.800 -1.193 0.000 2.421 43 G HA2 -0.343 3.618 3.960 0.002 0.000 0.216 43 G HA3 -0.343 3.618 3.960 0.002 0.000 0.216 43 G C 1.516 175.464 174.900 -1.586 0.000 1.171 43 G CA 0.961 44.867 45.100 -1.990 0.000 0.775 43 G HN 0.388 nan 8.290 nan 0.000 0.543 44 N N -0.312 117.861 118.700 -0.879 0.000 2.135 44 N HA -0.025 4.716 4.740 0.002 0.000 0.186 44 N C 2.067 177.396 175.510 -0.301 0.000 1.027 44 N CA 0.675 53.463 53.050 -0.436 0.000 0.849 44 N CB -0.267 38.115 38.487 -0.176 0.000 1.002 44 N HN 0.193 nan 8.380 nan 0.000 0.425 45 L N 0.334 121.400 121.223 -0.261 0.000 2.017 45 L HA -0.020 4.321 4.340 0.002 0.000 0.208 45 L C 1.815 178.603 176.870 -0.137 0.000 1.073 45 L CA 1.376 56.122 54.840 -0.156 0.000 0.745 45 L CB -0.697 41.291 42.059 -0.118 0.000 0.894 45 L HN 0.183 nan 8.230 nan 0.000 0.432 46 I N -0.617 119.847 120.570 -0.177 0.000 2.163 46 I HA -0.303 3.868 4.170 0.002 0.000 0.243 46 I C 2.776 178.833 176.117 -0.099 0.000 1.085 46 I CA 1.484 62.717 61.300 -0.112 0.000 1.347 46 I CB -0.470 37.464 38.000 -0.111 0.000 1.044 46 I HN 0.262 nan 8.210 nan 0.000 0.408 47 R N 0.546 120.948 120.500 -0.163 0.000 2.070 47 R HA -0.119 4.222 4.340 0.002 0.000 0.232 47 R C 1.896 178.161 176.300 -0.058 0.000 1.138 47 R CA 1.653 57.699 56.100 -0.090 0.000 0.936 47 R CB -0.415 29.853 30.300 -0.054 0.000 0.839 47 R HN 0.363 nan 8.270 nan 0.000 0.429 48 A N 0.477 123.259 122.820 -0.063 0.000 2.250 48 A HA -0.015 4.306 4.320 0.002 0.000 0.208 48 A C 0.836 178.400 177.584 -0.033 0.000 1.254 48 A CA 0.626 52.638 52.037 -0.042 0.000 0.858 48 A CB -0.008 18.969 19.000 -0.039 0.000 0.820 48 A HN 0.368 nan 8.150 nan 0.000 0.484 49 E N -1.288 118.894 120.200 -0.031 0.000 2.641 49 E HA 0.200 4.551 4.350 0.002 0.000 0.224 49 E C 0.730 177.332 176.600 0.003 0.000 0.951 49 E CA -0.015 56.378 56.400 -0.012 0.000 1.102 49 E CB 0.408 30.101 29.700 -0.012 0.000 1.091 49 E HN 0.590 nan 8.360 nan 0.000 0.507 50 L N 0.494 121.716 121.223 -0.001 0.000 2.592 50 L HA 0.085 4.426 4.340 0.002 0.000 0.227 50 L C 1.716 178.592 176.870 0.010 0.000 1.127 50 L CA 0.178 55.027 54.840 0.016 0.000 0.884 50 L CB 0.286 42.352 42.059 0.013 0.000 1.065 50 L HN 0.046 nan 8.230 nan 0.000 0.457 51 L N -0.628 120.593 121.223 -0.005 0.000 2.202 51 L HA 0.013 4.354 4.340 0.002 0.000 0.205 51 L C 2.050 178.923 176.870 0.005 0.000 1.083 51 L CA 0.875 55.711 54.840 -0.007 0.000 0.790 51 L CB -0.344 41.703 42.059 -0.019 0.000 0.942 51 L HN 0.246 nan 8.230 nan 0.000 0.452 52 N N -0.298 118.406 118.700 0.006 0.000 2.364 52 N HA -0.142 4.599 4.740 0.002 0.000 0.183 52 N C 0.329 175.848 175.510 0.014 0.000 1.022 52 N CA 0.578 53.633 53.050 0.008 0.000 0.883 52 N CB -0.538 37.953 38.487 0.006 0.000 0.965 52 N HN 0.335 nan 8.380 nan 0.000 0.438 53 D N 0.355 120.770 120.400 0.025 0.000 2.371 53 D HA 0.112 4.753 4.640 0.002 0.000 0.256 53 D C 0.723 177.042 176.300 0.032 0.000 1.193 53 D CA -0.124 53.896 54.000 0.033 0.000 0.881 53 D CB 0.743 41.584 40.800 0.068 0.000 1.143 53 D HN -0.007 nan 8.370 nan 0.000 0.473 54 R N 2.704 123.213 120.500 0.015 0.000 2.310 54 R HA 0.079 4.420 4.340 0.002 0.000 0.202 54 R C 0.971 177.285 176.300 0.023 0.000 0.933 54 R CA 0.274 56.383 56.100 0.015 0.000 1.054 54 R CB 0.359 30.660 30.300 0.001 0.000 0.985 54 R HN 0.286 nan 8.270 nan 0.000 0.489 55 K N 0.865 121.280 120.400 0.024 0.000 2.437 55 K HA 0.133 4.454 4.320 0.002 0.000 0.198 55 K C -0.293 176.422 176.600 0.192 0.000 1.024 55 K CA 0.264 56.577 56.287 0.043 0.000 1.148 55 K CB 0.881 33.281 32.500 -0.167 0.000 0.860 55 K HN -0.051 nan 8.250 nan 0.000 0.515 56 V N 2.235 122.239 119.914 0.149 0.000 2.378 56 V HA 0.166 4.287 4.120 0.002 0.000 0.288 56 V C 1.435 177.602 176.094 0.120 0.000 1.016 56 V CA -0.369 62.022 62.300 0.152 0.000 0.840 56 V CB 1.599 33.495 31.823 0.123 0.000 0.994 56 V HN 0.101 nan 8.190 nan 0.000 0.431 57 L N 3.570 124.879 121.223 0.143 0.000 2.023 57 L HA 0.137 4.478 4.340 0.002 0.000 0.205 57 L C 0.518 177.514 176.870 0.209 0.000 1.073 57 L CA 1.846 56.778 54.840 0.152 0.000 0.745 57 L CB -0.011 42.136 42.059 0.147 0.000 0.900 57 L HN 0.521 nan 8.230 nan 0.000 0.435 58 F N -0.212 119.769 119.950 0.053 0.000 2.556 58 F HA 0.662 5.190 4.527 0.001 0.000 0.314 58 F C -0.724 175.112 175.800 0.061 0.000 1.106 58 F CA -0.913 57.118 58.000 0.051 0.000 0.911 58 F CB 1.614 40.641 39.000 0.045 0.000 1.190 58 F HN -0.216 nan 8.300 nan 0.000 0.448 59 A N 4.432 126.799 122.820 -0.754 0.000 2.466 59 A HA 0.908 5.229 4.320 0.002 0.000 0.284 59 A C -1.627 175.624 177.584 -0.555 0.000 1.049 59 A CA 0.160 51.934 52.037 -0.438 0.000 0.760 59 A CB 0.726 19.623 19.000 -0.172 0.000 1.274 59 A HN 1.725 nan 8.150 nan 0.000 0.412 60 A N 1.441 124.085 122.820 -0.292 0.000 2.586 60 A HA 0.890 5.211 4.320 0.002 0.000 0.291 60 A C -1.318 176.391 177.584 0.208 0.000 1.062 60 A CA -0.215 51.780 52.037 -0.071 0.000 0.666 60 A CB 0.819 19.714 19.000 -0.175 0.000 1.281 60 A HN 2.206 nan 8.150 nan 0.000 0.421 61 Y N -0.416 119.907 120.300 0.037 0.000 2.597 61 Y HA 0.811 5.362 4.550 0.001 0.000 0.340 61 Y C -0.941 175.024 175.900 0.108 0.000 1.097 61 Y CA -0.907 57.261 58.100 0.113 0.000 1.037 61 Y CB 1.686 40.206 38.460 0.100 0.000 1.305 61 Y HN 0.861 nan 8.280 nan 0.000 0.463 62 K N 1.390 121.823 120.400 0.055 0.000 2.513 62 K HA 0.599 4.920 4.320 0.002 0.000 0.251 62 K C -1.529 175.176 176.600 0.174 0.000 0.939 62 K CA -1.061 55.198 56.287 -0.046 0.000 0.793 62 K CB 2.536 35.041 32.500 0.008 0.000 1.241 62 K HN 0.752 nan 8.250 nan 0.000 0.431 63 V N 0.771 120.773 119.914 0.146 0.000 2.359 63 V HA 0.038 4.159 4.120 0.002 0.000 0.248 63 V C 1.413 177.623 176.094 0.194 0.000 1.091 63 V CA -0.120 62.319 62.300 0.231 0.000 1.103 63 V CB -0.082 31.877 31.823 0.226 0.000 1.176 63 V HN 1.085 nan 8.190 nan 0.000 0.488 64 E N 2.643 122.972 120.200 0.215 0.000 2.086 64 E HA -0.232 4.119 4.350 0.002 0.000 0.205 64 E C 0.723 177.459 176.600 0.226 0.000 1.027 64 E CA 2.180 58.690 56.400 0.183 0.000 0.830 64 E CB 0.041 29.846 29.700 0.175 0.000 0.751 64 E HN 0.958 nan 8.360 nan 0.000 0.456 65 H N -2.566 116.619 119.070 0.190 0.000 3.179 65 H HA 0.122 4.680 4.556 0.003 0.000 0.331 65 H C -2.214 173.276 175.328 0.271 0.000 1.013 65 H CA -1.663 54.512 56.048 0.212 0.000 1.430 65 H CB 1.761 31.671 29.762 0.247 0.000 1.895 65 H HN -0.083 nan 8.280 nan 0.000 0.468 66 P HA -0.172 nan 4.420 nan 0.000 0.227 66 P C 1.053 178.521 177.300 0.280 0.000 1.145 66 P CA 1.038 64.340 63.100 0.336 0.000 0.769 66 P CB -0.038 31.834 31.700 0.287 0.000 0.769 67 F N -0.652 119.293 119.950 -0.008 0.000 2.084 67 F HA -0.061 4.467 4.527 0.002 0.000 0.296 67 F C 1.119 176.627 175.800 -0.487 0.000 1.111 67 F CA 0.693 58.439 58.000 -0.424 0.000 1.224 67 F CB -0.245 38.191 39.000 -0.941 0.000 0.991 67 F HN -0.250 nan 8.300 nan 0.000 0.471 68 F N 0.167 120.192 119.950 0.125 0.000 2.308 68 F HA 0.434 4.962 4.527 0.001 0.000 0.370 68 F C 0.348 176.209 175.800 0.102 0.000 1.100 68 F CA -1.226 56.820 58.000 0.077 0.000 1.108 68 F CB 0.469 39.510 39.000 0.070 0.000 1.293 68 F HN -0.223 nan 8.300 nan 0.000 0.478 69 A N 5.663 128.599 122.820 0.194 0.000 2.899 69 A HA 0.496 4.817 4.320 0.002 0.000 0.287 69 A C 0.223 177.938 177.584 0.218 0.000 1.715 69 A CA -0.382 51.757 52.037 0.171 0.000 1.393 69 A CB -0.773 18.287 19.000 0.099 0.000 1.070 69 A HN 0.829 nan 8.150 nan 0.000 0.587 70 R N 1.067 121.722 120.500 0.259 0.000 2.515 70 R HA 0.627 4.968 4.340 0.002 0.000 0.278 70 R C -0.899 175.573 176.300 0.287 0.000 1.107 70 R CA -0.676 55.565 56.100 0.234 0.000 0.945 70 R CB 0.778 31.165 30.300 0.145 0.000 1.219 70 R HN 0.428 nan 8.270 nan 0.000 0.434 71 F N -0.123 119.938 119.950 0.184 0.000 2.541 71 F HA 0.724 5.252 4.527 0.002 0.000 0.331 71 F C -0.525 175.419 175.800 0.241 0.000 1.057 71 F CA -1.273 56.851 58.000 0.206 0.000 0.975 71 F CB 1.647 40.786 39.000 0.232 0.000 1.246 71 F HN 0.237 nan 8.300 nan 0.000 0.484 72 K N 1.515 122.127 120.400 0.353 0.000 2.259 72 K HA 0.683 5.004 4.320 0.002 0.000 0.249 72 K C -1.922 174.917 176.600 0.397 0.000 0.942 72 K CA -1.061 55.385 56.287 0.266 0.000 0.816 72 K CB 2.474 35.088 32.500 0.189 0.000 1.155 72 K HN 0.686 nan 8.250 nan 0.000 0.428 73 L N 1.973 123.405 121.223 0.349 0.000 2.381 73 L HA 0.443 4.784 4.340 0.002 0.000 0.274 73 L C -1.099 175.937 176.870 0.276 0.000 0.988 73 L CA -0.354 54.694 54.840 0.347 0.000 0.824 73 L CB 1.663 43.938 42.059 0.361 0.000 1.263 73 L HN 0.522 nan 8.230 nan 0.000 0.410 74 R N 5.516 126.188 120.500 0.286 0.000 2.338 74 R HA 0.729 5.070 4.340 0.002 0.000 0.317 74 R C -1.479 175.023 176.300 0.336 0.000 0.968 74 R CA -0.503 55.787 56.100 0.317 0.000 0.849 74 R CB 0.848 31.401 30.300 0.422 0.000 1.128 74 R HN 0.731 nan 8.270 nan 0.000 0.448 75 I N 3.551 124.277 120.570 0.260 0.000 2.447 75 I HA 0.274 4.445 4.170 0.002 0.000 0.287 75 I C -0.651 175.581 176.117 0.191 0.000 1.023 75 I CA -0.685 60.743 61.300 0.213 0.000 1.083 75 I CB 2.077 40.152 38.000 0.126 0.000 1.245 75 I HN 0.485 nan 8.210 nan 0.000 0.434 76 Q N 5.228 125.171 119.800 0.240 0.000 2.331 76 Q HA 0.648 4.989 4.340 0.002 0.000 0.267 76 Q C -0.944 175.144 176.000 0.146 0.000 1.006 76 Q CA -0.517 55.386 55.803 0.165 0.000 0.818 76 Q CB 2.311 31.150 28.738 0.168 0.000 1.276 76 Q HN 0.825 nan 8.270 nan 0.000 0.450 77 T N -0.639 113.977 114.554 0.103 0.000 2.887 77 T HA 0.475 4.826 4.350 0.002 0.000 0.292 77 T C -0.207 174.583 174.700 0.150 0.000 1.087 77 T CA -0.761 61.424 62.100 0.141 0.000 1.009 77 T CB 1.434 70.368 68.868 0.110 0.000 1.203 77 T HN 0.444 nan 8.240 nan 0.000 0.518 78 T N 2.192 116.875 114.554 0.214 0.000 2.902 78 T HA 0.127 4.478 4.350 0.002 0.000 0.301 78 T C 0.492 175.287 174.700 0.158 0.000 1.012 78 T CA -0.216 61.980 62.100 0.161 0.000 1.151 78 T CB 0.153 69.099 68.868 0.129 0.000 0.946 78 T HN 0.781 nan 8.240 nan 0.000 0.542 79 E N 1.481 121.741 120.200 0.099 0.000 2.892 79 E HA -0.072 4.279 4.350 0.002 0.000 0.273 79 E C 1.466 178.122 176.600 0.094 0.000 0.921 79 E CA 1.154 57.600 56.400 0.077 0.000 0.968 79 E CB -0.264 29.468 29.700 0.054 0.000 0.941 79 E HN 0.920 nan 8.360 nan 0.000 0.492 80 G N 4.247 113.092 108.800 0.075 0.000 4.039 80 G HA2 -0.406 3.555 3.960 0.002 0.000 0.220 80 G HA3 -0.406 3.555 3.960 0.002 0.000 0.220 80 G C 0.028 174.995 174.900 0.111 0.000 1.391 80 G CA 0.367 45.516 45.100 0.081 0.000 0.920 80 G HN 0.806 nan 8.290 nan 0.000 0.599 81 Y N 4.353 124.664 120.300 0.019 0.000 2.853 81 Y HA 0.387 4.938 4.550 0.002 0.000 0.365 81 Y C 0.670 176.585 175.900 0.025 0.000 1.310 81 Y CA -0.285 57.827 58.100 0.021 0.000 1.703 81 Y CB -0.451 38.023 38.460 0.023 0.000 1.238 81 Y HN 0.512 nan 8.280 nan 0.000 0.510 82 D N 7.742 127.994 120.400 -0.245 0.000 2.455 82 D HA 0.059 4.700 4.640 0.002 0.000 0.241 82 D C -1.837 174.188 176.300 -0.459 0.000 1.138 82 D CA -1.341 52.500 54.000 -0.264 0.000 0.877 82 D CB 1.376 42.099 40.800 -0.128 0.000 1.187 82 D HN 0.352 nan 8.370 nan 0.000 0.451 83 P HA -0.130 nan 4.420 nan 0.000 0.217 83 P C 0.719 177.935 177.300 -0.140 0.000 1.150 83 P CA 1.424 64.399 63.100 -0.209 0.000 0.832 83 P CB 0.156 31.807 31.700 -0.082 0.000 0.787 84 K N -0.396 119.941 120.400 -0.105 0.000 2.074 84 K HA -0.187 4.134 4.320 0.002 0.000 0.209 84 K C 1.708 178.274 176.600 -0.057 0.000 1.048 84 K CA 1.827 58.077 56.287 -0.061 0.000 0.926 84 K CB -0.691 31.778 32.500 -0.052 0.000 0.713 84 K HN 0.111 nan 8.250 nan 0.000 0.444 85 D N 0.451 120.794 120.400 -0.096 0.000 2.144 85 D HA -0.105 4.536 4.640 0.002 0.000 0.199 85 D C 1.817 178.108 176.300 -0.016 0.000 0.984 85 D CA 1.242 55.212 54.000 -0.049 0.000 0.834 85 D CB -0.156 40.619 40.800 -0.043 0.000 0.955 85 D HN 0.256 nan 8.370 nan 0.000 0.465 86 A N 0.412 123.160 122.820 -0.120 0.000 1.865 86 A HA -0.162 4.159 4.320 0.002 0.000 0.217 86 A C 2.118 179.739 177.584 0.063 0.000 1.191 86 A CA 1.168 53.212 52.037 0.013 0.000 0.623 86 A CB -0.945 18.020 19.000 -0.058 0.000 0.826 86 A HN 0.267 nan 8.150 nan 0.000 0.444 87 L N -0.174 121.073 121.223 0.040 0.000 2.012 87 L HA -0.203 4.138 4.340 0.002 0.000 0.210 87 L C 2.348 179.260 176.870 0.070 0.000 1.073 87 L CA 2.466 57.349 54.840 0.073 0.000 0.748 87 L CB -0.523 41.588 42.059 0.085 0.000 0.891 87 L HN 0.385 nan 8.230 nan 0.000 0.431 88 K N -0.587 119.843 120.400 0.050 0.000 2.001 88 K HA -0.235 4.086 4.320 0.002 0.000 0.214 88 K C 2.072 178.707 176.600 0.059 0.000 1.050 88 K CA 2.147 58.463 56.287 0.048 0.000 0.934 88 K CB -0.326 32.195 32.500 0.035 0.000 0.718 88 K HN 0.524 nan 8.250 nan 0.000 0.443 89 N N -0.114 118.631 118.700 0.076 0.000 2.120 89 N HA -0.151 4.590 4.740 0.002 0.000 0.188 89 N C 1.814 177.365 175.510 0.069 0.000 1.024 89 N CA 0.996 54.095 53.050 0.082 0.000 0.852 89 N CB -0.053 38.506 38.487 0.121 0.000 1.003 89 N HN 0.202 nan 8.380 nan 0.000 0.424 90 A N 0.924 123.789 122.820 0.075 0.000 1.902 90 A HA -0.153 4.168 4.320 0.002 0.000 0.217 90 A C 2.644 180.256 177.584 0.047 0.000 1.181 90 A CA 1.062 53.135 52.037 0.059 0.000 0.623 90 A CB -0.964 18.073 19.000 0.061 0.000 0.818 90 A HN 0.447 nan 8.150 nan 0.000 0.443 91 C N -0.181 119.151 119.300 0.055 0.000 2.401 91 C HA -0.133 4.328 4.460 0.002 0.000 0.276 91 C C 2.634 177.646 174.990 0.038 0.000 1.233 91 C CA 1.369 60.417 59.018 0.051 0.000 1.753 91 C CB -1.497 26.280 27.740 0.061 0.000 2.029 91 C HN 0.666 nan 8.230 nan 0.000 0.478 92 N N 0.503 119.225 118.700 0.037 0.000 2.244 92 N HA -0.099 4.642 4.740 0.002 0.000 0.183 92 N C 1.904 177.428 175.510 0.024 0.000 1.016 92 N CA 1.359 54.427 53.050 0.029 0.000 0.866 92 N CB -0.682 37.823 38.487 0.030 0.000 0.980 92 N HN 0.492 nan 8.380 nan 0.000 0.430 93 S N 0.494 116.209 115.700 0.026 0.000 2.370 93 S HA -0.077 4.394 4.470 0.002 0.000 0.226 93 S C 1.852 176.461 174.600 0.015 0.000 1.033 93 S CA 0.855 59.067 58.200 0.020 0.000 1.011 93 S CB -0.202 63.010 63.200 0.021 0.000 0.852 93 S HN 0.177 nan 8.310 nan 0.000 0.457 94 I N 1.633 122.211 120.570 0.014 0.000 2.090 94 I HA -0.169 4.002 4.170 0.002 0.000 0.236 94 I C 2.214 178.337 176.117 0.009 0.000 1.064 94 I CA 1.426 62.731 61.300 0.008 0.000 1.324 94 I CB -0.593 37.411 38.000 0.006 0.000 1.044 94 I HN 0.299 nan 8.210 nan 0.000 0.399 95 I N 0.823 121.401 120.570 0.013 0.000 2.113 95 I HA -0.403 3.768 4.170 0.002 0.000 0.242 95 I C 2.287 178.411 176.117 0.010 0.000 1.057 95 I CA 1.685 62.992 61.300 0.011 0.000 1.314 95 I CB -0.843 37.165 38.000 0.015 0.000 1.022 95 I HN 0.346 nan 8.210 nan 0.000 0.408 96 N N 1.106 119.814 118.700 0.013 0.000 2.069 96 N HA -0.170 4.571 4.740 0.002 0.000 0.191 96 N C 1.796 177.314 175.510 0.013 0.000 1.031 96 N CA 1.453 54.511 53.050 0.013 0.000 0.852 96 N CB -0.318 38.177 38.487 0.014 0.000 1.018 96 N HN 0.441 nan 8.380 nan 0.000 0.423 97 K N 0.629 121.037 120.400 0.013 0.000 2.097 97 K HA 0.016 4.337 4.320 0.002 0.000 0.206 97 K C 2.146 178.755 176.600 0.015 0.000 1.049 97 K CA 0.616 56.911 56.287 0.014 0.000 0.933 97 K CB -0.130 32.377 32.500 0.011 0.000 0.717 97 K HN 0.128 nan 8.250 nan 0.000 0.442 98 L N 0.070 121.298 121.223 0.009 0.000 2.056 98 L HA -0.122 4.219 4.340 0.002 0.000 0.207 98 L C 2.575 179.449 176.870 0.006 0.000 1.078 98 L CA 1.396 56.239 54.840 0.004 0.000 0.749 98 L CB -0.934 41.123 42.059 -0.003 0.000 0.901 98 L HN 0.361 nan 8.230 nan 0.000 0.433 99 G N -0.269 108.536 108.800 0.008 0.000 2.469 99 G HA2 -0.299 3.662 3.960 0.002 0.000 0.219 99 G HA3 -0.299 3.662 3.960 0.002 0.000 0.219 99 G C 1.753 176.664 174.900 0.019 0.000 1.150 99 G CA 0.945 46.051 45.100 0.010 0.000 0.763 99 G HN 0.484 nan 8.290 nan 0.000 0.561 100 A N 0.458 123.292 122.820 0.023 0.000 1.877 100 A HA 0.097 4.418 4.320 0.002 0.000 0.216 100 A C 2.398 180.010 177.584 0.048 0.000 1.186 100 A CA 1.377 53.433 52.037 0.032 0.000 0.620 100 A CB -0.530 18.487 19.000 0.028 0.000 0.822 100 A HN 0.370 nan 8.150 nan 0.000 0.443 101 L N -0.375 120.876 121.223 0.046 0.000 2.089 101 L HA -0.284 4.057 4.340 0.002 0.000 0.213 101 L C 2.550 179.478 176.870 0.097 0.000 1.079 101 L CA 1.993 56.876 54.840 0.072 0.000 0.758 101 L CB -0.274 41.813 42.059 0.047 0.000 0.891 101 L HN 0.420 nan 8.230 nan 0.000 0.433 102 K N -1.195 119.234 120.400 0.049 0.000 2.026 102 K HA -0.147 4.174 4.320 0.002 0.000 0.208 102 K C 1.902 178.557 176.600 0.092 0.000 1.048 102 K CA 1.942 58.249 56.287 0.034 0.000 0.929 102 K CB -0.447 32.052 32.500 -0.002 0.000 0.713 102 K HN 0.389 nan 8.250 nan 0.000 0.439 103 T N 1.772 116.374 114.554 0.079 0.000 2.668 103 T HA -0.097 4.254 4.350 0.002 0.000 0.262 103 T C 1.601 176.369 174.700 0.112 0.000 1.045 103 T CA 1.654 63.804 62.100 0.084 0.000 1.152 103 T CB -0.371 68.531 68.868 0.056 0.000 0.864 103 T HN 0.197 nan 8.240 nan 0.000 0.419 104 N N 0.785 119.549 118.700 0.106 0.000 2.223 104 N HA 0.008 4.749 4.740 0.002 0.000 0.185 104 N C 1.415 176.996 175.510 0.118 0.000 1.016 104 N CA 0.671 53.776 53.050 0.092 0.000 0.863 104 N CB -0.602 37.926 38.487 0.069 0.000 0.983 104 N HN 0.383 nan 8.380 nan 0.000 0.429 105 F N 1.744 121.719 119.950 0.041 0.000 2.075 105 F HA -0.110 4.418 4.527 0.002 0.000 0.297 105 F C 2.159 178.025 175.800 0.111 0.000 1.113 105 F CA 1.376 59.411 58.000 0.058 0.000 1.218 105 F CB 0.045 39.054 39.000 0.015 0.000 0.984 105 F HN 0.033 nan 8.300 nan 0.000 0.472 106 E N -0.554 119.889 120.200 0.404 0.000 2.110 106 E HA -0.193 4.158 4.350 0.002 0.000 0.193 106 E C 2.029 178.778 176.600 0.247 0.000 0.988 106 E CA 1.773 58.380 56.400 0.344 0.000 0.804 106 E CB -0.333 29.495 29.700 0.214 0.000 0.745 106 E HN 0.434 nan 8.360 nan 0.000 0.458 107 T N 1.373 116.018 114.554 0.152 0.000 2.597 107 T HA -0.201 4.150 4.350 0.002 0.000 0.267 107 T C 1.628 176.364 174.700 0.060 0.000 1.053 107 T CA 1.346 63.497 62.100 0.086 0.000 1.165 107 T CB -0.206 68.694 68.868 0.053 0.000 0.863 107 T HN 0.193 nan 8.240 nan 0.000 0.427 108 E N -0.476 119.742 120.200 0.031 0.000 2.435 108 E HA -0.023 4.328 4.350 0.002 0.000 0.195 108 E C 1.773 178.368 176.600 -0.008 0.000 1.029 108 E CA -0.060 56.322 56.400 -0.030 0.000 0.865 108 E CB -0.016 29.628 29.700 -0.094 0.000 0.833 108 E HN 0.674 nan 8.360 nan 0.000 0.510 109 W N 2.085 123.323 121.300 -0.105 0.000 2.407 109 W HA -0.134 4.527 4.660 0.002 0.000 0.305 109 W C 1.196 177.718 176.519 0.006 0.000 1.196 109 W CA 0.809 58.137 57.345 -0.028 0.000 1.311 109 W CB -0.083 29.473 29.460 0.159 0.000 1.135 109 W HN 0.024 nan 8.180 nan 0.000 0.514 110 N N 1.415 120.118 118.700 0.005 0.000 2.094 110 N HA -0.223 4.518 4.740 0.002 0.000 0.191 110 N C 1.841 177.245 175.510 -0.177 0.000 1.023 110 N CA 2.078 55.070 53.050 -0.097 0.000 0.857 110 N CB -1.130 37.377 38.487 0.033 0.000 1.013 110 N HN 0.264 nan 8.380 nan 0.000 0.426 111 L N 0.365 121.511 121.223 -0.129 0.000 2.275 111 L HA -0.075 4.266 4.340 0.002 0.000 0.215 111 L C 0.575 177.344 176.870 -0.168 0.000 1.119 111 L CA 0.696 55.464 54.840 -0.120 0.000 0.790 111 L CB -0.106 41.906 42.059 -0.078 0.000 0.919 111 L HN 0.158 nan 8.230 nan 0.000 0.443 112 Q N 0.121 119.767 119.800 -0.257 0.000 2.227 112 Q HA 0.290 4.631 4.340 0.002 0.000 0.245 112 Q C -0.233 175.577 176.000 -0.317 0.000 0.926 112 Q CA 0.034 55.677 55.803 -0.267 0.000 0.895 112 Q CB 1.514 30.090 28.738 -0.270 0.000 1.230 112 Q HN 0.032 nan 8.270 nan 0.000 0.450 113 T N 1.242 115.667 114.554 -0.216 0.000 2.925 113 T HA 0.600 4.951 4.350 0.002 0.000 0.285 113 T C 0.111 174.717 174.700 -0.156 0.000 1.021 113 T CA -0.627 61.366 62.100 -0.180 0.000 1.042 113 T CB 0.957 69.758 68.868 -0.112 0.000 1.037 113 T HN 0.523 nan 8.240 nan 0.000 0.481 114 L N 0.000 121.147 121.223 -0.126 0.000 2.949 114 L HA 0.000 4.341 4.340 0.002 0.000 0.249 114 L CA 0.000 54.796 54.840 -0.074 0.000 0.813 114 L CB 0.000 42.038 42.059 -0.034 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502