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 2cwq_1_B DATA FIRST_RESID -9 DATA SEQUENCE SGLVPRGSHX XDRTHERVLQ AXAENLGEGL PRAIPLLAEK APGLLLEHGR DATA SEQUENCE SWTYAXPEKG ALDEKTRTLI LLGIALATGS EACVKAXAHR AKRLGLSKEA DATA SEQUENCE LLETLKIARQ AQANAVLGHA APLLEVL 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 -9 S HA 0.000 nan 4.470 nan 0.000 0.327 -9 S C 0.000 174.624 174.600 0.040 0.000 1.055 -9 S CA 0.000 58.217 58.200 0.028 0.000 1.107 -9 S CB 0.000 63.209 63.200 0.015 0.000 0.593 -8 G N 0.410 109.240 108.800 0.050 0.000 2.667 -8 G HA2 0.411 4.371 3.960 0.000 0.000 0.250 -8 G HA3 0.411 4.371 3.960 0.000 0.000 0.250 -8 G C 0.922 175.819 174.900 -0.005 0.000 1.212 -8 G CA -0.425 44.722 45.100 0.078 0.000 0.874 -8 G HN 0.654 nan 8.290 nan 0.000 0.561 -7 L N 0.426 121.601 121.223 -0.080 0.000 2.079 -7 L HA 0.021 4.361 4.340 0.000 0.000 0.210 -7 L C 1.270 177.970 176.870 -0.284 0.000 1.081 -7 L CA 2.020 56.665 54.840 -0.325 0.000 0.752 -7 L CB -0.305 41.186 42.059 -0.946 0.000 0.896 -7 L HN 0.507 nan 8.230 nan 0.000 0.433 -6 V N -5.599 114.178 119.914 -0.229 0.000 3.078 -6 V HA 0.632 4.752 4.120 0.000 0.000 0.311 -6 V C -2.647 173.426 176.094 -0.036 0.000 1.138 -6 V CA -2.129 60.095 62.300 -0.127 0.000 1.007 -6 V CB 0.911 32.655 31.823 -0.132 0.000 1.045 -6 V HN -0.095 nan 8.190 nan 0.000 0.432 -5 P HA 0.230 nan 4.420 nan 0.000 0.268 -5 P C -0.422 176.904 177.300 0.042 0.000 1.205 -5 P CA -0.211 62.896 63.100 0.011 0.000 0.771 -5 P CB 0.346 32.047 31.700 0.002 0.000 0.858 -4 R N 2.372 122.902 120.500 0.050 0.000 2.522 -4 R HA 0.190 4.530 4.340 0.000 0.000 0.284 -4 R C 1.260 177.607 176.300 0.080 0.000 1.032 -4 R CA 1.329 57.475 56.100 0.078 0.000 1.049 -4 R CB -0.596 29.742 30.300 0.062 0.000 0.956 -4 R HN 0.872 nan 8.270 nan 0.000 0.422 -3 G N 2.175 111.063 108.800 0.146 0.000 2.184 -3 G HA2 -0.372 3.588 3.960 0.000 0.000 0.264 -3 G HA3 -0.372 3.588 3.960 0.000 0.000 0.264 -3 G C 0.777 175.648 174.900 -0.050 0.000 0.975 -3 G CA 0.868 46.004 45.100 0.061 0.000 0.642 -3 G HN 0.722 nan 8.290 nan 0.000 0.536 -2 S N 0.741 116.467 115.700 0.044 0.000 2.469 -2 S HA -0.025 4.445 4.470 0.000 0.000 0.238 -2 S C 1.393 176.001 174.600 0.012 0.000 0.998 -2 S CA 1.022 59.228 58.200 0.010 0.000 0.957 -2 S CB -0.589 62.629 63.200 0.030 0.000 0.764 -2 S HN 1.174 nan 8.310 nan 0.000 0.514 3 R N 0.205 120.685 120.500 -0.032 0.000 2.096 3 R HA 0.048 4.388 4.340 0.000 0.000 0.235 3 R C 0.749 177.043 176.300 -0.010 0.000 1.127 3 R CA 2.080 58.168 56.100 -0.020 0.000 0.968 3 R CB -0.203 30.083 30.300 -0.023 0.000 0.861 3 R HN 0.612 nan 8.270 nan 0.000 0.440 4 T N -2.858 111.674 114.554 -0.036 0.000 2.888 4 T HA 0.181 4.531 4.350 0.000 0.000 0.288 4 T C 0.783 175.441 174.700 -0.070 0.000 1.063 4 T CA -0.325 61.745 62.100 -0.050 0.000 1.010 4 T CB 0.870 69.645 68.868 -0.155 0.000 1.214 4 T HN 0.418 nan 8.240 nan 0.000 0.533 5 H N -0.577 118.499 119.070 0.010 0.000 2.547 5 H HA 0.245 4.801 4.556 0.000 0.000 0.266 5 H C 1.094 176.427 175.328 0.008 0.000 0.988 5 H CA 0.515 56.572 56.048 0.016 0.000 1.147 5 H CB -0.177 29.596 29.762 0.020 0.000 1.365 5 H HN 0.790 nan 8.280 nan 0.000 0.589 6 E N 1.447 121.320 120.200 -0.544 0.000 2.070 6 E HA -0.214 4.136 4.350 0.000 0.000 0.197 6 E C 2.324 178.857 176.600 -0.111 0.000 1.004 6 E CA 1.236 57.442 56.400 -0.323 0.000 0.805 6 E CB 0.002 29.534 29.700 -0.280 0.000 0.744 6 E HN 0.422 nan 8.360 nan 0.000 0.451 7 R N 0.499 120.951 120.500 -0.080 0.000 2.075 7 R HA -0.124 4.216 4.340 0.000 0.000 0.232 7 R C 2.306 178.596 176.300 -0.017 0.000 1.126 7 R CA 1.079 57.155 56.100 -0.041 0.000 0.963 7 R CB -0.125 30.153 30.300 -0.036 0.000 0.858 7 R HN 0.028 nan 8.270 nan 0.000 0.435 8 V N 1.342 121.260 119.914 0.007 0.000 2.343 8 V HA -0.252 3.868 4.120 0.000 0.000 0.247 8 V C 2.246 178.355 176.094 0.025 0.000 1.051 8 V CA 1.669 63.983 62.300 0.023 0.000 1.036 8 V CB -0.508 31.356 31.823 0.069 0.000 0.654 8 V HN 0.360 nan 8.190 nan 0.000 0.451 9 L N -0.019 121.242 121.223 0.062 0.000 2.046 9 L HA -0.180 4.160 4.340 0.000 0.000 0.208 9 L C 2.438 179.319 176.870 0.017 0.000 1.077 9 L CA 2.053 56.933 54.840 0.067 0.000 0.747 9 L CB -0.896 41.253 42.059 0.150 0.000 0.896 9 L HN 0.304 nan 8.230 nan 0.000 0.432 10 Q N 0.411 120.212 119.800 0.001 0.000 2.079 10 Q HA -0.032 4.308 4.340 0.000 0.000 0.200 10 Q C 1.172 177.158 176.000 -0.023 0.000 0.974 10 Q CA 1.067 56.862 55.803 -0.013 0.000 0.840 10 Q CB -0.362 28.363 28.738 -0.021 0.000 0.898 10 Q HN 0.608 nan 8.270 nan 0.000 0.430 14 E N 1.670 121.854 120.200 -0.026 0.000 2.072 14 E HA -0.092 4.258 4.350 0.000 0.000 0.190 14 E C 1.403 177.994 176.600 -0.016 0.000 0.982 14 E CA 2.029 58.419 56.400 -0.018 0.000 0.803 14 E CB -0.213 29.476 29.700 -0.019 0.000 0.755 14 E HN 0.524 nan 8.360 nan 0.000 0.453 15 N N -0.304 118.378 118.700 -0.032 0.000 2.409 15 N HA -0.004 4.736 4.740 0.000 0.000 0.179 15 N C 1.426 176.931 175.510 -0.008 0.000 1.032 15 N CA 0.747 53.781 53.050 -0.027 0.000 0.898 15 N CB 0.185 38.636 38.487 -0.060 0.000 0.971 15 N HN 0.280 nan 8.380 nan 0.000 0.441 16 L N -0.649 120.562 121.223 -0.020 0.000 2.556 16 L HA 0.246 4.586 4.340 0.000 0.000 0.226 16 L C 1.510 178.372 176.870 -0.014 0.000 1.089 16 L CA 0.142 54.980 54.840 -0.004 0.000 0.864 16 L CB -0.348 41.688 42.059 -0.037 0.000 1.067 16 L HN 0.081 nan 8.230 nan 0.000 0.477 17 G N 1.063 109.852 108.800 -0.019 0.000 2.634 17 G HA2 -0.367 3.593 3.960 0.000 0.000 0.309 17 G HA3 -0.367 3.593 3.960 0.000 0.000 0.309 17 G C 0.760 175.593 174.900 -0.111 0.000 1.265 17 G CA 0.479 45.564 45.100 -0.025 0.000 0.998 17 G HN 0.263 nan 8.290 nan 0.000 0.551 18 E N 1.596 121.700 120.200 -0.161 0.000 2.401 18 E HA -0.025 4.325 4.350 0.000 0.000 0.199 18 E C 2.480 178.789 176.600 -0.486 0.000 1.023 18 E CA 1.227 57.473 56.400 -0.256 0.000 0.859 18 E CB -0.740 28.863 29.700 -0.161 0.000 0.780 18 E HN 0.704 nan 8.360 nan 0.000 0.523 19 G N 0.624 109.011 108.800 -0.688 0.000 2.920 19 G HA2 -0.047 3.913 3.960 0.000 0.000 0.208 19 G HA3 -0.047 3.913 3.960 0.000 0.000 0.208 19 G C 0.630 175.420 174.900 -0.184 0.000 1.159 19 G CA -0.397 44.393 45.100 -0.517 0.000 0.784 19 G HN 0.156 nan 8.290 nan 0.000 0.535 20 L N 2.016 123.151 121.223 -0.146 0.000 2.584 20 L HA 0.304 4.644 4.340 0.000 0.000 0.272 20 L C -2.018 174.811 176.870 -0.069 0.000 1.195 20 L CA -1.527 53.265 54.840 -0.081 0.000 0.920 20 L CB 0.395 42.413 42.059 -0.068 0.000 1.173 20 L HN -0.136 nan 8.230 nan 0.000 0.489 21 P HA 0.126 nan 4.420 nan 0.000 0.268 21 P C -0.018 177.254 177.300 -0.046 0.000 1.205 21 P CA -0.019 63.056 63.100 -0.042 0.000 0.771 21 P CB 0.538 32.217 31.700 -0.035 0.000 0.858 22 R N 2.509 122.985 120.500 -0.040 0.000 2.193 22 R HA -0.115 4.225 4.340 0.000 0.000 0.229 22 R C 1.926 178.202 176.300 -0.040 0.000 1.110 22 R CA 1.466 57.543 56.100 -0.037 0.000 0.988 22 R CB -0.703 29.579 30.300 -0.030 0.000 0.871 22 R HN 0.490 nan 8.270 nan 0.000 0.458 23 A N 1.235 124.027 122.820 -0.047 0.000 1.969 23 A HA -0.099 4.221 4.320 0.000 0.000 0.218 23 A C 1.926 179.469 177.584 -0.068 0.000 1.169 23 A CA 0.946 52.950 52.037 -0.056 0.000 0.635 23 A CB -0.236 18.725 19.000 -0.064 0.000 0.810 23 A HN 0.073 nan 8.150 nan 0.000 0.445 24 I N 0.119 120.647 120.570 -0.069 0.000 2.179 24 I HA -0.136 4.034 4.170 0.000 0.000 0.242 24 I C -0.444 175.642 176.117 -0.051 0.000 1.088 24 I CA 1.283 62.544 61.300 -0.066 0.000 1.357 24 I CB -2.492 35.476 38.000 -0.053 0.000 1.051 24 I HN 0.148 nan 8.210 nan 0.000 0.409 25 P HA -0.089 nan 4.420 nan 0.000 0.218 25 P C 2.287 179.557 177.300 -0.050 0.000 1.149 25 P CA 1.147 64.228 63.100 -0.032 0.000 0.817 25 P CB 0.022 31.709 31.700 -0.023 0.000 0.785 26 L N -1.635 119.557 121.223 -0.052 0.000 2.093 26 L HA -0.149 4.191 4.340 0.000 0.000 0.208 26 L C 2.374 179.198 176.870 -0.076 0.000 1.085 26 L CA 1.206 56.013 54.840 -0.055 0.000 0.755 26 L CB -0.837 41.195 42.059 -0.045 0.000 0.904 26 L HN -0.015 nan 8.230 nan 0.000 0.435 27 L N -0.501 120.671 121.223 -0.085 0.000 2.056 27 L HA -0.181 4.159 4.340 0.000 0.000 0.207 27 L C 2.911 179.677 176.870 -0.173 0.000 1.078 27 L CA 1.117 55.897 54.840 -0.101 0.000 0.749 27 L CB -0.731 41.276 42.059 -0.086 0.000 0.901 27 L HN 0.234 nan 8.230 nan 0.000 0.433 28 A N -0.378 122.315 122.820 -0.213 0.000 1.908 28 A HA -0.279 4.041 4.320 0.000 0.000 0.218 28 A C 2.298 179.606 177.584 -0.461 0.000 1.181 28 A CA 2.087 53.836 52.037 -0.481 0.000 0.627 28 A CB -0.505 18.368 19.000 -0.213 0.000 0.818 28 A HN 0.485 nan 8.150 nan 0.000 0.445 29 E N -0.613 119.469 120.200 -0.197 0.000 2.076 29 E HA -0.110 4.240 4.350 0.000 0.000 0.190 29 E C 1.617 178.161 176.600 -0.093 0.000 0.979 29 E CA 1.161 57.496 56.400 -0.109 0.000 0.807 29 E CB 0.008 29.676 29.700 -0.054 0.000 0.761 29 E HN 0.641 nan 8.360 nan 0.000 0.454 30 K N -1.261 119.083 120.400 -0.092 0.000 2.399 30 K HA 0.254 4.574 4.320 0.000 0.000 0.196 30 K C 0.103 176.667 176.600 -0.061 0.000 1.103 30 K CA 0.429 56.679 56.287 -0.062 0.000 0.986 30 K CB 1.558 34.031 32.500 -0.045 0.000 0.952 30 K HN -0.069 nan 8.250 nan 0.000 0.541 31 A N 2.103 124.873 122.820 -0.082 0.000 3.453 31 A HA 0.241 4.561 4.320 0.000 0.000 0.262 31 A C -2.250 175.288 177.584 -0.076 0.000 1.026 31 A CA -0.886 51.115 52.037 -0.059 0.000 0.938 31 A CB 0.397 19.373 19.000 -0.039 0.000 1.246 31 A HN -0.114 nan 8.150 nan 0.000 0.546 32 P HA -0.185 nan 4.420 nan 0.000 0.216 32 P C 1.701 179.006 177.300 0.008 0.000 1.150 32 P CA 2.092 65.121 63.100 -0.119 0.000 0.843 32 P CB 0.066 31.716 31.700 -0.084 0.000 0.787 33 G N 0.439 109.252 108.800 0.021 0.000 2.442 33 G HA2 -0.243 3.717 3.960 0.000 0.000 0.219 33 G HA3 -0.243 3.717 3.960 0.000 0.000 0.219 33 G C 1.520 176.452 174.900 0.053 0.000 1.141 33 G CA 0.560 45.688 45.100 0.046 0.000 0.763 33 G HN 0.246 nan 8.290 nan 0.000 0.554 34 L N 0.105 121.347 121.223 0.033 0.000 2.109 34 L HA 0.179 4.519 4.340 0.000 0.000 0.207 34 L C 2.435 179.353 176.870 0.080 0.000 1.086 34 L CA 1.236 56.103 54.840 0.045 0.000 0.760 34 L CB -0.569 41.500 42.059 0.016 0.000 0.910 34 L HN 0.189 nan 8.230 nan 0.000 0.437 35 L N -0.939 120.318 121.223 0.058 0.000 2.093 35 L HA -0.150 4.190 4.340 0.000 0.000 0.208 35 L C 2.249 179.216 176.870 0.162 0.000 1.085 35 L CA 1.733 56.634 54.840 0.101 0.000 0.755 35 L CB -0.605 41.478 42.059 0.040 0.000 0.904 35 L HN 0.276 nan 8.230 nan 0.000 0.435 36 L N -0.606 120.700 121.223 0.138 0.000 2.056 36 L HA -0.173 4.167 4.340 0.000 0.000 0.207 36 L C 2.560 179.521 176.870 0.152 0.000 1.078 36 L CA 1.392 56.324 54.840 0.153 0.000 0.749 36 L CB -0.533 41.612 42.059 0.144 0.000 0.901 36 L HN 0.324 nan 8.230 nan 0.000 0.433 37 E N -0.318 119.960 120.200 0.129 0.000 2.150 37 E HA -0.278 4.072 4.350 0.000 0.000 0.193 37 E C 2.048 178.723 176.600 0.125 0.000 0.985 37 E CA 1.359 57.818 56.400 0.098 0.000 0.814 37 E CB -0.123 29.623 29.700 0.076 0.000 0.752 37 E HN 0.474 nan 8.360 nan 0.000 0.466 38 H N -0.718 118.400 119.070 0.081 0.000 2.353 38 H HA -0.004 4.552 4.556 -0.000 0.000 0.300 38 H C 1.864 177.292 175.328 0.166 0.000 1.090 38 H CA 2.351 58.468 56.048 0.115 0.000 1.327 38 H CB -0.611 29.209 29.762 0.097 0.000 1.383 38 H HN 0.233 nan 8.280 nan 0.000 0.508 39 G N 0.079 108.904 108.800 0.042 0.000 2.402 39 G HA2 -0.272 3.688 3.960 0.000 0.000 0.216 39 G HA3 -0.272 3.688 3.960 0.000 0.000 0.216 39 G C 1.875 176.812 174.900 0.063 0.000 1.162 39 G CA 0.558 45.660 45.100 0.004 0.000 0.777 39 G HN 0.437 nan 8.290 nan 0.000 0.539 40 R N 0.888 121.415 120.500 0.045 0.000 2.073 40 R HA -0.120 4.220 4.340 0.000 0.000 0.234 40 R C 2.910 179.201 176.300 -0.014 0.000 1.134 40 R CA 2.072 58.118 56.100 -0.089 0.000 0.952 40 R CB -0.317 29.824 30.300 -0.265 0.000 0.850 40 R HN 0.475 nan 8.270 nan 0.000 0.433 41 S N -0.063 115.649 115.700 0.020 0.000 2.383 41 S HA -0.167 4.303 4.470 0.000 0.000 0.227 41 S C 1.886 176.544 174.600 0.095 0.000 1.026 41 S CA 0.749 58.981 58.200 0.052 0.000 0.981 41 S CB -0.833 62.390 63.200 0.038 0.000 0.818 41 S HN 0.564 nan 8.310 nan 0.000 0.472 42 W N 3.604 124.834 121.300 -0.117 0.000 2.355 42 W HA -0.179 4.481 4.660 -0.000 0.000 0.309 42 W C 2.413 178.902 176.519 -0.049 0.000 1.206 42 W CA 2.671 59.943 57.345 -0.121 0.000 1.284 42 W CB -1.118 28.197 29.460 -0.242 0.000 1.145 42 W HN 0.562 nan 8.180 nan 0.000 0.502 43 T N -2.172 112.557 114.554 0.292 0.000 2.995 43 T HA -0.269 4.081 4.350 0.000 0.000 0.269 43 T C 1.636 176.381 174.700 0.076 0.000 1.091 43 T CA 1.364 63.583 62.100 0.198 0.000 1.128 43 T CB -1.130 67.839 68.868 0.168 0.000 0.891 43 T HN 0.256 nan 8.240 nan 0.000 0.492 44 Y N 2.926 123.213 120.300 -0.022 0.000 2.163 44 Y HA 0.356 4.906 4.550 0.000 0.000 0.288 44 Y C 1.634 177.495 175.900 -0.066 0.000 1.136 44 Y CA 0.110 58.181 58.100 -0.049 0.000 1.147 44 Y CB -0.907 37.513 38.460 -0.067 0.000 0.987 44 Y HN 0.402 nan 8.280 nan 0.000 0.509 48 E N 1.383 121.597 120.200 0.023 0.000 2.414 48 E HA 0.109 4.459 4.350 0.000 0.000 0.263 48 E C -0.271 176.334 176.600 0.007 0.000 1.000 48 E CA 0.050 56.465 56.400 0.024 0.000 0.914 48 E CB 0.224 29.940 29.700 0.027 0.000 0.948 48 E HN 0.209 nan 8.360 nan 0.000 0.444 49 K N 1.256 121.660 120.400 0.006 0.000 3.653 49 K HA -0.188 4.132 4.320 0.000 0.000 0.275 49 K C -0.036 176.555 176.600 -0.015 0.000 0.962 49 K CA 0.626 56.912 56.287 -0.002 0.000 0.773 49 K CB -1.911 30.588 32.500 -0.001 0.000 1.463 49 K HN 0.731 nan 8.250 nan 0.000 0.450 50 G N 0.124 108.911 108.800 -0.022 0.000 2.782 50 G HA2 0.587 4.547 3.960 0.000 0.000 0.201 50 G HA3 0.587 4.547 3.960 0.000 0.000 0.201 50 G C 0.989 175.867 174.900 -0.037 0.000 1.374 50 G CA 0.058 45.133 45.100 -0.042 0.000 1.039 50 G HN 0.286 nan 8.290 nan 0.000 0.576 51 A N -1.399 121.393 122.820 -0.047 0.000 2.021 51 A HA 0.445 4.765 4.320 0.000 0.000 0.216 51 A C 0.917 178.483 177.584 -0.030 0.000 1.163 51 A CA 0.586 52.600 52.037 -0.038 0.000 0.676 51 A CB -0.367 18.607 19.000 -0.044 0.000 0.818 51 A HN 0.325 nan 8.150 nan 0.000 0.453 52 L N 0.818 122.022 121.223 -0.032 0.000 2.342 52 L HA 0.403 4.743 4.340 0.000 0.000 0.271 52 L C -0.939 175.924 176.870 -0.012 0.000 1.008 52 L CA -1.254 53.572 54.840 -0.023 0.000 0.818 52 L CB 1.775 43.816 42.059 -0.030 0.000 1.296 52 L HN 0.293 nan 8.230 nan 0.000 0.427 53 D N 0.081 120.479 120.400 -0.003 0.000 2.377 53 D HA 0.030 4.670 4.640 0.000 0.000 0.245 53 D C 0.656 176.967 176.300 0.019 0.000 1.196 53 D CA -0.464 53.541 54.000 0.008 0.000 0.962 53 D CB 0.825 41.630 40.800 0.009 0.000 1.127 53 D HN 0.363 nan 8.370 nan 0.000 0.471 54 E N -0.062 120.158 120.200 0.033 0.000 2.153 54 E HA -0.208 4.142 4.350 0.000 0.000 0.194 54 E C 1.642 178.271 176.600 0.049 0.000 0.988 54 E CA 0.950 57.383 56.400 0.055 0.000 0.811 54 E CB -0.192 29.547 29.700 0.066 0.000 0.746 54 E HN 0.688 nan 8.360 nan 0.000 0.466 55 K N 0.477 120.897 120.400 0.033 0.000 2.002 55 K HA -0.115 4.205 4.320 0.000 0.000 0.209 55 K C 2.100 178.715 176.600 0.024 0.000 1.048 55 K CA 1.880 58.184 56.287 0.029 0.000 0.930 55 K CB -0.139 32.373 32.500 0.019 0.000 0.714 55 K HN -0.047 nan 8.250 nan 0.000 0.438 56 T N 0.959 115.521 114.554 0.014 0.000 2.720 56 T HA -0.113 4.237 4.350 0.000 0.000 0.268 56 T C 1.862 176.564 174.700 0.003 0.000 1.037 56 T CA 1.533 63.636 62.100 0.005 0.000 1.144 56 T CB -0.205 68.661 68.868 -0.003 0.000 0.864 56 T HN 0.325 nan 8.240 nan 0.000 0.444 57 R N 0.534 121.037 120.500 0.005 0.000 2.091 57 R HA -0.079 4.261 4.340 0.000 0.000 0.238 57 R C 2.763 179.073 176.300 0.017 0.000 1.136 57 R CA 1.754 57.849 56.100 -0.007 0.000 0.959 57 R CB -0.707 29.595 30.300 0.003 0.000 0.856 57 R HN 0.316 nan 8.270 nan 0.000 0.437 58 T N 1.390 115.977 114.554 0.055 0.000 2.821 58 T HA -0.041 4.309 4.350 0.000 0.000 0.267 58 T C 1.834 176.565 174.700 0.052 0.000 1.046 58 T CA 0.932 63.079 62.100 0.079 0.000 1.139 58 T CB -0.064 68.858 68.868 0.089 0.000 0.871 58 T HN 0.129 nan 8.240 nan 0.000 0.454 59 L N 0.145 121.387 121.223 0.032 0.000 2.156 59 L HA 0.042 4.382 4.340 0.000 0.000 0.208 59 L C 2.390 179.268 176.870 0.014 0.000 1.095 59 L CA 0.970 55.823 54.840 0.022 0.000 0.770 59 L CB -0.549 41.519 42.059 0.015 0.000 0.914 59 L HN 0.266 nan 8.230 nan 0.000 0.439 60 I N -0.143 120.428 120.570 0.003 0.000 2.179 60 I HA -0.307 3.863 4.170 0.000 0.000 0.242 60 I C 2.410 178.522 176.117 -0.008 0.000 1.088 60 I CA 1.363 62.657 61.300 -0.010 0.000 1.357 60 I CB -0.180 37.803 38.000 -0.028 0.000 1.051 60 I HN 0.202 nan 8.210 nan 0.000 0.409 61 L N -0.183 121.037 121.223 -0.005 0.000 2.083 61 L HA -0.214 4.126 4.340 0.000 0.000 0.209 61 L C 2.511 179.402 176.870 0.036 0.000 1.083 61 L CA 0.816 55.660 54.840 0.007 0.000 0.752 61 L CB -0.479 41.595 42.059 0.025 0.000 0.899 61 L HN 0.293 nan 8.230 nan 0.000 0.433 62 L N 0.092 121.341 121.223 0.043 0.000 2.056 62 L HA -0.021 4.319 4.340 0.000 0.000 0.207 62 L C 2.337 179.226 176.870 0.031 0.000 1.078 62 L CA 2.081 56.949 54.840 0.046 0.000 0.749 62 L CB -1.144 40.942 42.059 0.044 0.000 0.901 62 L HN 0.105 nan 8.230 nan 0.000 0.433 63 G N -0.143 108.670 108.800 0.021 0.000 2.418 63 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 63 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 63 G C 1.655 176.564 174.900 0.015 0.000 1.158 63 G CA 1.204 46.313 45.100 0.015 0.000 0.771 63 G HN 0.472 nan 8.290 nan 0.000 0.545 64 I N 1.393 121.970 120.570 0.012 0.000 2.226 64 I HA -0.182 3.988 4.170 0.000 0.000 0.245 64 I C 3.308 179.437 176.117 0.020 0.000 1.100 64 I CA 0.973 62.280 61.300 0.012 0.000 1.374 64 I CB -0.216 37.786 38.000 0.004 0.000 1.057 64 I HN 0.247 nan 8.210 nan 0.000 0.413 65 A N 0.922 123.760 122.820 0.029 0.000 1.883 65 A HA -0.194 4.126 4.320 0.000 0.000 0.217 65 A C 2.293 179.895 177.584 0.031 0.000 1.186 65 A CA 1.604 53.663 52.037 0.036 0.000 0.624 65 A CB -0.917 18.113 19.000 0.051 0.000 0.822 65 A HN 0.383 nan 8.150 nan 0.000 0.444 66 L N -0.927 120.313 121.223 0.028 0.000 2.027 66 L HA -0.169 4.171 4.340 0.000 0.000 0.206 66 L C 3.078 179.960 176.870 0.021 0.000 1.074 66 L CA 1.106 55.960 54.840 0.024 0.000 0.745 66 L CB -0.507 41.565 42.059 0.022 0.000 0.898 66 L HN 0.425 nan 8.230 nan 0.000 0.433 67 A N -0.249 122.582 122.820 0.019 0.000 1.969 67 A HA -0.171 4.149 4.320 0.000 0.000 0.218 67 A C 2.259 179.854 177.584 0.019 0.000 1.169 67 A CA 2.040 54.088 52.037 0.018 0.000 0.635 67 A CB -0.766 18.244 19.000 0.017 0.000 0.810 67 A HN 0.521 nan 8.150 nan 0.000 0.445 68 T N -4.657 109.909 114.554 0.019 0.000 3.086 68 T HA 0.408 4.758 4.350 0.000 0.000 0.250 68 T C 1.272 175.983 174.700 0.018 0.000 1.074 68 T CA 0.968 63.079 62.100 0.019 0.000 0.988 68 T CB 0.032 68.911 68.868 0.019 0.000 0.988 68 T HN 1.642 nan 8.240 nan 0.000 0.530 69 G N 1.442 110.254 108.800 0.019 0.000 2.221 69 G HA2 -0.266 3.694 3.960 0.000 0.000 0.265 69 G HA3 -0.266 3.694 3.960 0.000 0.000 0.265 69 G C 0.128 175.040 174.900 0.020 0.000 1.041 69 G CA 0.289 45.400 45.100 0.019 0.000 0.807 69 G HN 0.914 nan 8.290 nan 0.000 0.502 70 S N -0.263 115.452 115.700 0.025 0.000 2.411 70 S HA 0.394 4.864 4.470 0.000 0.000 0.304 70 S C 1.573 176.191 174.600 0.031 0.000 1.098 70 S CA 0.349 58.565 58.200 0.027 0.000 1.068 70 S CB 0.382 63.602 63.200 0.033 0.000 1.032 70 S HN 0.464 nan 8.310 nan 0.000 0.511 71 E N 3.772 123.987 120.200 0.025 0.000 2.085 71 E HA -0.183 4.167 4.350 0.000 0.000 0.194 71 E C 2.248 178.867 176.600 0.032 0.000 0.994 71 E CA 1.406 57.822 56.400 0.027 0.000 0.801 71 E CB -0.227 29.485 29.700 0.020 0.000 0.743 71 E HN 0.859 nan 8.360 nan 0.000 0.453 72 A N 0.835 123.670 122.820 0.026 0.000 1.933 72 A HA -0.179 4.141 4.320 0.000 0.000 0.218 72 A C 2.417 180.028 177.584 0.046 0.000 1.175 72 A CA 1.200 53.252 52.037 0.025 0.000 0.628 72 A CB -0.696 18.312 19.000 0.013 0.000 0.814 72 A HN 0.348 nan 8.150 nan 0.000 0.444 73 C N -1.513 117.822 119.300 0.058 0.000 2.457 73 C HA 0.017 4.477 4.460 0.000 0.000 0.278 73 C C 2.700 177.742 174.990 0.086 0.000 1.309 73 C CA 0.714 59.782 59.018 0.085 0.000 1.735 73 C CB -1.103 26.688 27.740 0.084 0.000 1.992 73 C HN 0.450 nan 8.230 nan 0.000 0.493 74 V N 1.401 121.356 119.914 0.068 0.000 2.295 74 V HA -0.257 3.863 4.120 0.000 0.000 0.246 74 V C 2.570 178.719 176.094 0.092 0.000 1.049 74 V CA 2.169 64.510 62.300 0.069 0.000 1.024 74 V CB -0.663 31.192 31.823 0.053 0.000 0.648 74 V HN 0.569 nan 8.190 nan 0.000 0.447 75 K N 0.198 120.655 120.400 0.094 0.000 2.057 75 K HA -0.058 4.262 4.320 0.000 0.000 0.207 75 K C 1.275 177.985 176.600 0.182 0.000 1.049 75 K CA 1.070 57.443 56.287 0.142 0.000 0.931 75 K CB -0.267 32.280 32.500 0.078 0.000 0.714 75 K HN 0.479 nan 8.250 nan 0.000 0.440 79 H N 0.324 119.410 119.070 0.028 0.000 2.395 79 H HA 0.018 4.574 4.556 0.000 0.000 0.299 79 H C 2.118 177.459 175.328 0.022 0.000 1.070 79 H CA 1.914 57.974 56.048 0.020 0.000 1.356 79 H CB 0.051 29.822 29.762 0.015 0.000 1.401 79 H HN 0.491 nan 8.280 nan 0.000 0.524 80 R N 1.206 121.794 120.500 0.146 0.000 2.070 80 R HA -0.079 4.261 4.340 0.000 0.000 0.233 80 R C 2.283 178.623 176.300 0.067 0.000 1.137 80 R CA 1.631 57.788 56.100 0.095 0.000 0.945 80 R CB -0.882 29.483 30.300 0.108 0.000 0.845 80 R HN 0.281 nan 8.270 nan 0.000 0.430 81 A N 0.746 123.600 122.820 0.058 0.000 1.908 81 A HA -0.233 4.087 4.320 0.000 0.000 0.218 81 A C 2.190 179.781 177.584 0.011 0.000 1.181 81 A CA 1.997 54.055 52.037 0.034 0.000 0.627 81 A CB -0.669 18.346 19.000 0.026 0.000 0.818 81 A HN 0.483 nan 8.150 nan 0.000 0.445 82 K N -0.450 119.943 120.400 -0.011 0.000 2.026 82 K HA -0.137 4.183 4.320 0.000 0.000 0.208 82 K C 2.239 178.836 176.600 -0.005 0.000 1.048 82 K CA 1.481 57.750 56.287 -0.031 0.000 0.929 82 K CB -0.192 32.254 32.500 -0.091 0.000 0.713 82 K HN 0.432 nan 8.250 nan 0.000 0.439 83 R N 0.271 120.780 120.500 0.015 0.000 2.152 83 R HA -0.061 4.279 4.340 0.000 0.000 0.232 83 R C 2.146 178.458 176.300 0.019 0.000 1.117 83 R CA 1.025 57.138 56.100 0.022 0.000 0.981 83 R CB -0.205 30.117 30.300 0.037 0.000 0.870 83 R HN 0.284 nan 8.270 nan 0.000 0.451 84 L N -0.358 120.878 121.223 0.023 0.000 2.492 84 L HA 0.105 4.445 4.340 0.000 0.000 0.223 84 L C 1.036 177.915 176.870 0.015 0.000 1.132 84 L CA 0.501 55.355 54.840 0.023 0.000 0.850 84 L CB -0.007 42.071 42.059 0.032 0.000 0.966 84 L HN 0.443 nan 8.230 nan 0.000 0.454 85 G N 0.480 109.286 108.800 0.010 0.000 2.160 85 G HA2 -0.244 3.716 3.960 0.000 0.000 0.244 85 G HA3 -0.244 3.716 3.960 0.000 0.000 0.244 85 G C -0.086 174.817 174.900 0.005 0.000 1.022 85 G CA -0.416 44.687 45.100 0.005 0.000 0.741 85 G HN 0.075 nan 8.290 nan 0.000 0.508 86 L N 1.635 122.862 121.223 0.006 0.000 2.456 86 L HA 0.484 4.824 4.340 0.000 0.000 0.272 86 L C 1.592 178.463 176.870 0.001 0.000 1.189 86 L CA 0.365 55.209 54.840 0.007 0.000 0.846 86 L CB 0.947 43.012 42.059 0.011 0.000 1.111 86 L HN 0.654 nan 8.230 nan 0.000 0.475 87 S N 2.768 118.469 115.700 0.001 0.000 2.572 87 S HA 0.100 4.570 4.470 0.000 0.000 0.279 87 S C 1.156 175.754 174.600 -0.003 0.000 1.341 87 S CA -0.184 58.015 58.200 -0.001 0.000 1.043 87 S CB 0.468 63.668 63.200 -0.000 0.000 0.887 87 S HN 0.697 nan 8.310 nan 0.000 0.516 88 K N 1.340 121.737 120.400 -0.005 0.000 2.063 88 K HA -0.197 4.123 4.320 0.000 0.000 0.208 88 K C 1.531 178.129 176.600 -0.003 0.000 1.048 88 K CA 1.971 58.255 56.287 -0.006 0.000 0.928 88 K CB -0.298 32.198 32.500 -0.007 0.000 0.713 88 K HN 0.731 nan 8.250 nan 0.000 0.442 89 E N 0.453 120.652 120.200 -0.002 0.000 2.077 89 E HA -0.135 4.215 4.350 0.000 0.000 0.193 89 E C 1.851 178.451 176.600 0.001 0.000 0.989 89 E CA 1.420 57.819 56.400 -0.001 0.000 0.800 89 E CB -0.283 29.417 29.700 -0.000 0.000 0.746 89 E HN 0.471 nan 8.360 nan 0.000 0.452 90 A N 0.417 123.238 122.820 0.001 0.000 1.898 90 A HA -0.101 4.219 4.320 0.000 0.000 0.216 90 A C 2.175 179.761 177.584 0.004 0.000 1.181 90 A CA 1.023 53.062 52.037 0.003 0.000 0.620 90 A CB -0.585 18.418 19.000 0.004 0.000 0.819 90 A HN 0.196 nan 8.150 nan 0.000 0.442 91 L N -0.946 120.279 121.223 0.003 0.000 2.093 91 L HA -0.101 4.239 4.340 0.000 0.000 0.208 91 L C 2.501 179.373 176.870 0.004 0.000 1.085 91 L CA 0.808 55.651 54.840 0.004 0.000 0.755 91 L CB -0.409 41.650 42.059 -0.000 0.000 0.904 91 L HN 0.342 nan 8.230 nan 0.000 0.435 92 L N -0.374 120.850 121.223 0.002 0.000 2.156 92 L HA -0.192 4.148 4.340 0.000 0.000 0.208 92 L C 2.575 179.447 176.870 0.003 0.000 1.095 92 L CA 1.055 55.897 54.840 0.002 0.000 0.770 92 L CB -0.199 41.860 42.059 0.001 0.000 0.914 92 L HN 0.300 nan 8.230 nan 0.000 0.439 93 E N -0.730 119.472 120.200 0.003 0.000 2.150 93 E HA -0.185 4.165 4.350 0.000 0.000 0.193 93 E C 1.871 178.474 176.600 0.004 0.000 0.985 93 E CA 1.514 57.916 56.400 0.003 0.000 0.814 93 E CB 0.177 29.879 29.700 0.002 0.000 0.752 93 E HN 0.349 nan 8.360 nan 0.000 0.466 94 T N 1.316 115.873 114.554 0.006 0.000 2.777 94 T HA -0.149 4.201 4.350 0.000 0.000 0.266 94 T C 1.710 176.415 174.700 0.009 0.000 1.040 94 T CA 1.081 63.185 62.100 0.008 0.000 1.141 94 T CB -0.242 68.632 68.868 0.010 0.000 0.868 94 T HN 0.142 nan 8.240 nan 0.000 0.444 95 L N 1.397 122.625 121.223 0.009 0.000 2.017 95 L HA -0.024 4.316 4.340 0.000 0.000 0.208 95 L C 2.159 179.033 176.870 0.008 0.000 1.073 95 L CA 1.817 56.663 54.840 0.009 0.000 0.745 95 L CB -0.527 41.537 42.059 0.009 0.000 0.894 95 L HN 0.071 nan 8.230 nan 0.000 0.432 96 K N -0.427 119.976 120.400 0.006 0.000 2.097 96 K HA -0.141 4.179 4.320 0.000 0.000 0.206 96 K C 2.108 178.711 176.600 0.005 0.000 1.049 96 K CA 1.863 58.153 56.287 0.005 0.000 0.933 96 K CB -0.313 32.189 32.500 0.004 0.000 0.717 96 K HN 0.408 nan 8.250 nan 0.000 0.442 97 I N 0.903 121.476 120.570 0.005 0.000 2.252 97 I HA -0.245 3.925 4.170 0.000 0.000 0.245 97 I C 2.533 178.654 176.117 0.005 0.000 1.102 97 I CA 0.953 62.255 61.300 0.004 0.000 1.385 97 I CB -0.402 37.600 38.000 0.003 0.000 1.064 97 I HN 0.132 nan 8.210 nan 0.000 0.414 98 A N 0.949 123.773 122.820 0.008 0.000 1.902 98 A HA -0.249 4.071 4.320 0.000 0.000 0.217 98 A C 2.438 180.028 177.584 0.011 0.000 1.181 98 A CA 1.830 53.872 52.037 0.010 0.000 0.623 98 A CB -0.646 18.361 19.000 0.012 0.000 0.818 98 A HN 0.380 nan 8.150 nan 0.000 0.443 99 R N -0.731 119.775 120.500 0.010 0.000 2.073 99 R HA -0.215 4.125 4.340 0.000 0.000 0.234 99 R C 2.339 178.645 176.300 0.010 0.000 1.134 99 R CA 1.955 58.061 56.100 0.010 0.000 0.952 99 R CB -0.313 29.993 30.300 0.009 0.000 0.850 99 R HN 0.510 nan 8.270 nan 0.000 0.433 100 Q N 0.362 120.166 119.800 0.007 0.000 2.124 100 Q HA -0.073 4.267 4.340 0.000 0.000 0.202 100 Q C 1.837 177.841 176.000 0.006 0.000 0.977 100 Q CA 2.070 57.876 55.803 0.006 0.000 0.850 100 Q CB -0.273 28.467 28.738 0.003 0.000 0.901 100 Q HN 0.463 nan 8.270 nan 0.000 0.429 101 A N 0.119 122.943 122.820 0.006 0.000 1.883 101 A HA -0.232 4.088 4.320 0.000 0.000 0.217 101 A C 2.042 179.633 177.584 0.013 0.000 1.186 101 A CA 1.648 53.689 52.037 0.006 0.000 0.624 101 A CB -0.646 18.357 19.000 0.006 0.000 0.822 101 A HN 0.426 nan 8.150 nan 0.000 0.444 102 Q N -0.554 119.257 119.800 0.018 0.000 2.124 102 Q HA -0.110 4.230 4.340 0.000 0.000 0.202 102 Q C 2.409 178.427 176.000 0.029 0.000 0.977 102 Q CA 1.606 57.425 55.803 0.026 0.000 0.850 102 Q CB -0.720 28.032 28.738 0.023 0.000 0.901 102 Q HN 0.674 nan 8.270 nan 0.000 0.429 103 A N 1.258 124.090 122.820 0.021 0.000 1.898 103 A HA -0.183 4.137 4.320 0.000 0.000 0.216 103 A C 1.889 179.485 177.584 0.019 0.000 1.181 103 A CA 1.471 53.520 52.037 0.020 0.000 0.620 103 A CB -0.779 18.229 19.000 0.013 0.000 0.819 103 A HN 0.494 nan 8.150 nan 0.000 0.442 104 N N 0.227 118.933 118.700 0.010 0.000 2.094 104 N HA -0.175 4.565 4.740 0.000 0.000 0.191 104 N C 1.964 177.471 175.510 -0.006 0.000 1.023 104 N CA 1.122 54.171 53.050 -0.001 0.000 0.857 104 N CB -0.264 38.218 38.487 -0.008 0.000 1.013 104 N HN 0.510 nan 8.380 nan 0.000 0.426 105 A N 0.874 123.699 122.820 0.008 0.000 1.933 105 A HA -0.099 4.221 4.320 0.000 0.000 0.218 105 A C 2.426 180.061 177.584 0.086 0.000 1.175 105 A CA 1.132 53.176 52.037 0.011 0.000 0.628 105 A CB -0.714 18.331 19.000 0.075 0.000 0.814 105 A HN 0.111 nan 8.150 nan 0.000 0.444 106 V N 0.199 120.177 119.914 0.106 0.000 2.295 106 V HA -0.268 3.852 4.120 0.000 0.000 0.246 106 V C 2.561 178.706 176.094 0.086 0.000 1.049 106 V CA 1.994 64.370 62.300 0.127 0.000 1.024 106 V CB -0.748 31.117 31.823 0.070 0.000 0.648 106 V HN 0.584 nan 8.190 nan 0.000 0.447 107 L N 0.342 121.586 121.223 0.035 0.000 2.046 107 L HA -0.080 4.260 4.340 0.000 0.000 0.208 107 L C 2.665 179.530 176.870 -0.009 0.000 1.077 107 L CA 1.693 56.542 54.840 0.015 0.000 0.747 107 L CB -1.244 40.816 42.059 0.002 0.000 0.896 107 L HN 0.483 nan 8.230 nan 0.000 0.432 108 G N -1.199 107.567 108.800 -0.057 0.000 2.462 108 G HA2 -0.262 3.698 3.960 0.000 0.000 0.220 108 G HA3 -0.262 3.698 3.960 0.000 0.000 0.220 108 G C 1.083 175.879 174.900 -0.173 0.000 1.121 108 G CA 0.682 45.698 45.100 -0.140 0.000 0.758 108 G HN 0.498 nan 8.290 nan 0.000 0.559 109 H N -0.525 118.545 119.070 -0.000 0.000 2.539 109 H HA 0.454 5.010 4.556 0.000 0.000 0.269 109 H C 2.341 177.669 175.328 -0.000 0.000 0.980 109 H CA 0.259 56.307 56.048 -0.000 0.000 1.152 109 H CB 0.622 30.384 29.762 -0.000 0.000 1.407 109 H HN 0.382 nan 8.280 nan 0.000 0.564 110 A N 0.604 123.477 122.820 0.088 0.000 2.251 110 A HA 0.249 4.569 4.320 0.000 0.000 0.209 110 A C 2.327 179.931 177.584 0.034 0.000 1.187 110 A CA 0.698 52.769 52.037 0.056 0.000 0.823 110 A CB -0.385 18.638 19.000 0.038 0.000 0.846 110 A HN 0.434 nan 8.150 nan 0.000 0.486 111 A N 1.519 124.355 122.820 0.027 0.000 1.884 111 A HA -0.133 4.187 4.320 0.000 0.000 0.219 111 A C 0.199 177.794 177.584 0.018 0.000 1.197 111 A CA 2.151 54.198 52.037 0.017 0.000 0.637 111 A CB -1.716 17.290 19.000 0.010 0.000 0.827 111 A HN 0.441 nan 8.150 nan 0.000 0.450 112 P HA -0.134 nan 4.420 nan 0.000 0.218 112 P C 1.614 178.924 177.300 0.016 0.000 1.148 112 P CA 1.021 64.132 63.100 0.020 0.000 0.822 112 P CB -0.038 31.677 31.700 0.024 0.000 0.784 113 L N -0.962 120.272 121.223 0.019 0.000 2.023 113 L HA -0.059 4.281 4.340 0.000 0.000 0.205 113 L C 2.107 178.984 176.870 0.011 0.000 1.073 113 L CA 1.704 56.553 54.840 0.014 0.000 0.745 113 L CB -1.396 40.673 42.059 0.016 0.000 0.900 113 L HN -0.155 nan 8.230 nan 0.000 0.435 114 L N -0.443 120.787 121.223 0.012 0.000 2.127 114 L HA -0.208 4.132 4.340 0.000 0.000 0.211 114 L C 2.505 179.379 176.870 0.007 0.000 1.089 114 L CA 1.262 56.107 54.840 0.009 0.000 0.757 114 L CB -0.623 41.441 42.059 0.008 0.000 0.899 114 L HN 0.354 nan 8.230 nan 0.000 0.434 115 E N 0.218 120.423 120.200 0.008 0.000 2.118 115 E HA -0.203 4.147 4.350 0.000 0.000 0.195 115 E C 1.984 178.587 176.600 0.005 0.000 0.992 115 E CA 1.673 58.077 56.400 0.006 0.000 0.804 115 E CB 0.024 29.729 29.700 0.007 0.000 0.741 115 E HN 0.436 nan 8.360 nan 0.000 0.458 116 V N -1.417 118.501 119.914 0.006 0.000 3.608 116 V HA 0.202 4.322 4.120 0.000 0.000 0.269 116 V C 1.020 177.116 176.094 0.004 0.000 1.245 116 V CA -0.004 62.298 62.300 0.005 0.000 1.138 116 V CB -0.515 31.311 31.823 0.005 0.000 0.841 116 V HN 0.017 nan 8.190 nan 0.000 0.451 117 L N 0.000 121.226 121.223 0.004 0.000 2.949 117 L HA 0.000 4.340 4.340 0.000 0.000 0.249 117 L CA 0.000 54.842 54.840 0.004 0.000 0.813 117 L CB 0.000 42.062 42.059 0.004 0.000 0.961 117 L HN 0.000 nan 8.230 nan 0.000 0.502