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 2r78_1_B DATA FIRST_RESID 5 DATA SEQUENCE GTENLYFQSN AYRALFEHAI DGIFIXDAEG HYLDVNPAIC SAIGYTRDEF DATA SEQUENCE LALDWGVLSR GVDSGWAAAS LARIVGGEPL REERTVWTRN GDQLTVELSA DATA SEQUENCE HLLPDGKILG IARDV 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 5 G HA2 0.000 nan 3.960 nan 0.000 0.244 5 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 5 G C 0.000 174.742 174.900 -0.264 0.000 0.946 5 G CA 0.000 45.034 45.100 -0.109 0.000 0.502 6 T N -2.520 111.787 114.554 -0.411 0.000 3.084 6 T HA 0.315 4.665 4.350 -0.000 0.000 0.270 6 T C 0.632 175.150 174.700 -0.303 0.000 1.008 6 T CA 0.181 61.728 62.100 -0.921 0.000 0.900 6 T CB 0.666 68.913 68.868 -1.035 0.000 1.084 6 T HN 0.298 nan 8.240 nan 0.000 0.538 7 E N 2.096 122.248 120.200 -0.081 0.000 2.431 7 E HA 0.147 4.497 4.350 -0.000 0.000 0.200 7 E C 0.520 177.175 176.600 0.092 0.000 0.995 7 E CA 0.091 56.511 56.400 0.033 0.000 0.915 7 E CB 0.164 29.864 29.700 0.000 0.000 0.930 7 E HN 0.857 nan 8.360 nan 0.000 0.496 8 N N 0.156 118.927 118.700 0.118 0.000 2.424 8 N HA -0.024 4.716 4.740 -0.000 0.000 0.257 8 N C 1.039 176.615 175.510 0.110 0.000 1.250 8 N CA -0.286 52.836 53.050 0.120 0.000 0.946 8 N CB 0.868 39.450 38.487 0.158 0.000 1.175 8 N HN -0.172 nan 8.380 nan 0.000 0.477 9 L N 0.430 121.641 121.223 -0.019 0.000 2.043 9 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 9 L C 1.442 178.161 176.870 -0.253 0.000 1.075 9 L CA 1.803 56.519 54.840 -0.208 0.000 0.752 9 L CB -0.857 40.938 42.059 -0.440 0.000 0.891 9 L HN 0.705 nan 8.230 nan 0.000 0.432 10 Y N -1.962 118.378 120.300 0.067 0.000 2.184 10 Y HA -0.216 4.334 4.550 -0.000 0.000 0.290 10 Y C 2.304 178.241 175.900 0.062 0.000 1.129 10 Y CA 1.839 59.972 58.100 0.055 0.000 1.144 10 Y CB -0.932 37.563 38.460 0.059 0.000 0.995 10 Y HN 0.247 nan 8.280 nan 0.000 0.513 11 F N 1.225 121.263 119.950 0.147 0.000 2.069 11 F HA -0.288 4.239 4.527 -0.000 0.000 0.298 11 F C 2.210 178.048 175.800 0.064 0.000 1.113 11 F CA 1.942 59.998 58.000 0.092 0.000 1.214 11 F CB -0.573 38.469 39.000 0.069 0.000 0.978 11 F HN 0.046 nan 8.300 nan 0.000 0.474 12 Q N -0.128 119.663 119.800 -0.016 0.000 2.119 12 Q HA -0.156 4.184 4.340 -0.000 0.000 0.201 12 Q C 2.458 178.376 176.000 -0.136 0.000 0.972 12 Q CA 1.913 57.659 55.803 -0.094 0.000 0.847 12 Q CB -0.366 28.411 28.738 0.065 0.000 0.903 12 Q HN 0.587 nan 8.270 nan 0.000 0.433 13 S N 0.952 116.594 115.700 -0.097 0.000 2.368 13 S HA -0.121 4.349 4.470 -0.000 0.000 0.224 13 S C 1.620 176.204 174.600 -0.027 0.000 1.029 13 S CA 1.040 59.212 58.200 -0.047 0.000 0.988 13 S CB -0.314 62.842 63.200 -0.074 0.000 0.838 13 S HN 0.264 nan 8.310 nan 0.000 0.462 14 N N 3.094 121.740 118.700 -0.090 0.000 2.061 14 N HA -0.038 4.702 4.740 -0.000 0.000 0.193 14 N C 1.964 177.374 175.510 -0.166 0.000 1.030 14 N CA 1.811 54.797 53.050 -0.107 0.000 0.856 14 N CB -1.077 37.336 38.487 -0.123 0.000 1.023 14 N HN 0.632 nan 8.380 nan 0.000 0.424 15 A N -0.029 122.583 122.820 -0.346 0.000 1.930 15 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 15 A C 2.169 179.704 177.584 -0.082 0.000 1.175 15 A CA 1.114 52.970 52.037 -0.302 0.000 0.627 15 A CB -0.936 17.728 19.000 -0.562 0.000 0.815 15 A HN 0.433 nan 8.150 nan 0.000 0.443 16 Y N 0.819 121.037 120.300 -0.136 0.000 2.128 16 Y HA -0.221 4.329 4.550 0.000 0.000 0.284 16 Y C 2.444 178.335 175.900 -0.014 0.000 1.154 16 Y CA 2.127 60.191 58.100 -0.060 0.000 1.149 16 Y CB -0.341 38.066 38.460 -0.088 0.000 0.976 16 Y HN 0.253 nan 8.280 nan 0.000 0.505 17 R N 0.017 120.426 120.500 -0.151 0.000 2.096 17 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 17 R C 2.500 178.703 176.300 -0.162 0.000 1.127 17 R CA 1.052 57.013 56.100 -0.231 0.000 0.968 17 R CB -0.645 29.615 30.300 -0.068 0.000 0.861 17 R HN 0.466 nan 8.270 nan 0.000 0.440 18 A N 1.386 124.157 122.820 -0.081 0.000 1.873 18 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 18 A C 2.088 179.688 177.584 0.027 0.000 1.186 18 A CA 0.974 53.024 52.037 0.022 0.000 0.616 18 A CB -0.451 18.593 19.000 0.074 0.000 0.823 18 A HN 0.202 nan 8.150 nan 0.000 0.442 19 L N -1.611 119.598 121.223 -0.023 0.000 2.056 19 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 19 L C 2.164 178.997 176.870 -0.062 0.000 1.078 19 L CA 1.956 56.791 54.840 -0.007 0.000 0.749 19 L CB -0.886 41.177 42.059 0.007 0.000 0.901 19 L HN 0.421 nan 8.230 nan 0.000 0.433 20 F N 0.708 120.439 119.950 -0.365 0.000 2.069 20 F HA -0.265 4.262 4.527 0.000 0.000 0.298 20 F C 2.604 178.238 175.800 -0.276 0.000 1.113 20 F CA 2.219 59.984 58.000 -0.391 0.000 1.214 20 F CB -0.294 38.275 39.000 -0.718 0.000 0.978 20 F HN 0.341 nan 8.300 nan 0.000 0.474 21 E N -1.199 118.909 120.200 -0.153 0.000 2.058 21 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 21 E C 1.789 178.157 176.600 -0.385 0.000 0.997 21 E CA 1.733 57.933 56.400 -0.333 0.000 0.801 21 E CB -0.265 29.125 29.700 -0.517 0.000 0.746 21 E HN 0.525 nan 8.360 nan 0.000 0.450 22 H N -0.740 118.276 119.070 -0.090 0.000 2.622 22 H HA 0.327 4.883 4.556 -0.000 0.000 0.269 22 H C 0.204 175.484 175.328 -0.081 0.000 0.977 22 H CA 0.473 56.478 56.048 -0.072 0.000 1.179 22 H CB 0.213 29.947 29.762 -0.047 0.000 1.458 22 H HN 0.138 nan 8.280 nan 0.000 0.531 23 A N 1.038 123.846 122.820 -0.021 0.000 2.531 23 A HA 0.076 4.396 4.320 -0.000 0.000 0.236 23 A C 1.219 178.773 177.584 -0.050 0.000 1.062 23 A CA -0.122 51.891 52.037 -0.040 0.000 0.760 23 A CB 0.065 19.014 19.000 -0.085 0.000 0.995 23 A HN 0.151 nan 8.150 nan 0.000 0.501 24 I N 0.819 121.373 120.570 -0.027 0.000 2.406 24 I HA -0.048 4.122 4.170 -0.000 0.000 0.249 24 I C 0.486 176.580 176.117 -0.039 0.000 1.122 24 I CA 0.617 61.899 61.300 -0.029 0.000 1.431 24 I CB -0.346 37.646 38.000 -0.015 0.000 1.087 24 I HN 0.507 nan 8.210 nan 0.000 0.424 25 D N 1.419 121.799 120.400 -0.033 0.000 2.382 25 D HA 0.217 4.857 4.640 -0.000 0.000 0.240 25 D C 0.532 176.798 176.300 -0.056 0.000 1.146 25 D CA 0.298 54.283 54.000 -0.026 0.000 0.897 25 D CB 0.649 41.445 40.800 -0.006 0.000 1.197 25 D HN 0.153 nan 8.370 nan 0.000 0.432 26 G N 0.650 109.433 108.800 -0.028 0.000 2.442 26 G HA2 0.452 4.412 3.960 -0.000 0.000 0.249 26 G HA3 0.452 4.412 3.960 -0.000 0.000 0.249 26 G C -0.125 174.767 174.900 -0.014 0.000 1.263 26 G CA -0.289 44.790 45.100 -0.035 0.000 0.846 26 G HN 0.425 nan 8.290 nan 0.000 0.555 27 I N 1.408 121.921 120.570 -0.094 0.000 2.533 27 I HA 0.466 4.636 4.170 -0.000 0.000 0.290 27 I C -0.768 175.411 176.117 0.103 0.000 1.056 27 I CA -0.789 60.480 61.300 -0.051 0.000 1.057 27 I CB 2.090 40.032 38.000 -0.097 0.000 1.240 27 I HN 0.559 nan 8.210 nan 0.000 0.423 28 F N 5.703 125.755 119.950 0.171 0.000 2.588 28 F HA 0.815 5.342 4.527 -0.000 0.000 0.314 28 F C -1.312 174.674 175.800 0.311 0.000 1.069 28 F CA -0.929 57.225 58.000 0.258 0.000 0.931 28 F CB 1.089 40.275 39.000 0.309 0.000 1.260 28 F HN 0.020 nan 8.300 nan 0.000 0.465 32 A N -0.475 122.288 122.820 -0.095 0.000 2.121 32 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 32 A C 1.352 178.836 177.584 -0.166 0.000 1.154 32 A CA 1.260 53.217 52.037 -0.132 0.000 0.679 32 A CB -0.635 18.310 19.000 -0.091 0.000 0.795 32 A HN 0.527 nan 8.150 nan 0.000 0.458 33 E N -1.524 118.572 120.200 -0.174 0.000 2.479 33 E HA 0.272 4.622 4.350 -0.000 0.000 0.193 33 E C 1.036 177.380 176.600 -0.426 0.000 1.049 33 E CA 0.236 56.478 56.400 -0.264 0.000 0.870 33 E CB 0.005 29.556 29.700 -0.249 0.000 0.944 33 E HN 0.699 nan 8.360 nan 0.000 0.492 34 G N 1.969 110.546 108.800 -0.372 0.000 2.157 34 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.248 34 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.248 34 G C -0.101 174.637 174.900 -0.270 0.000 0.979 34 G CA -0.311 44.592 45.100 -0.328 0.000 0.650 34 G HN 0.332 nan 8.290 nan 0.000 0.529 35 H N -0.186 118.860 119.070 -0.040 0.000 2.690 35 H HA 0.357 4.913 4.556 -0.000 0.000 0.314 35 H C 0.259 175.619 175.328 0.054 0.000 1.069 35 H CA -0.491 55.580 56.048 0.038 0.000 1.436 35 H CB 0.214 30.014 29.762 0.064 0.000 1.462 35 H HN 0.255 nan 8.280 nan 0.000 0.511 36 Y N 2.611 123.099 120.300 0.314 0.000 2.544 36 Y HA -0.066 4.484 4.550 0.000 0.000 0.330 36 Y C 1.508 177.571 175.900 0.272 0.000 1.136 36 Y CA 0.117 58.413 58.100 0.328 0.000 1.417 36 Y CB 0.570 39.286 38.460 0.427 0.000 1.229 36 Y HN 0.522 nan 8.280 nan 0.000 0.532 37 L N 1.140 122.596 121.223 0.390 0.000 2.500 37 L HA 0.251 4.591 4.340 -0.000 0.000 0.219 37 L C -0.011 177.002 176.870 0.239 0.000 1.057 37 L CA 0.427 55.418 54.840 0.252 0.000 0.854 37 L CB 0.452 42.612 42.059 0.168 0.000 1.078 37 L HN 0.517 nan 8.230 nan 0.000 0.480 38 D N -0.704 119.879 120.400 0.305 0.000 2.623 38 D HA 0.508 5.148 4.640 -0.000 0.000 0.241 38 D C -1.477 175.054 176.300 0.385 0.000 1.241 38 D CA -0.128 54.048 54.000 0.294 0.000 0.788 38 D CB 3.032 43.938 40.800 0.178 0.000 1.413 38 D HN -0.176 nan 8.370 nan 0.000 0.429 39 V N 0.339 120.455 119.914 0.336 0.000 2.891 39 V HA 0.666 4.786 4.120 -0.000 0.000 0.304 39 V C -0.511 175.549 176.094 -0.056 0.000 1.171 39 V CA -1.048 61.279 62.300 0.044 0.000 0.943 39 V CB 1.525 33.034 31.823 -0.524 0.000 1.037 39 V HN 0.668 nan 8.190 nan 0.000 0.427 40 N N 3.197 121.600 118.700 -0.495 0.000 2.434 40 N HA 0.545 5.285 4.740 -0.000 0.000 0.266 40 N C -2.125 173.151 175.510 -0.390 0.000 1.223 40 N CA -1.904 50.651 53.050 -0.826 0.000 0.972 40 N CB 0.903 38.515 38.487 -1.458 0.000 1.207 40 N HN 0.355 nan 8.380 nan 0.000 0.525 41 P HA -0.073 nan 4.420 nan 0.000 0.216 41 P C 1.087 178.294 177.300 -0.156 0.000 1.150 41 P CA 2.285 65.281 63.100 -0.173 0.000 0.837 41 P CB -0.100 31.516 31.700 -0.141 0.000 0.786 42 A N -0.548 122.160 122.820 -0.187 0.000 1.908 42 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 42 A C 2.242 179.753 177.584 -0.123 0.000 1.181 42 A CA 1.479 53.436 52.037 -0.133 0.000 0.627 42 A CB -1.557 17.365 19.000 -0.129 0.000 0.818 42 A HN 0.108 nan 8.150 nan 0.000 0.445 43 I N -0.613 119.853 120.570 -0.174 0.000 2.202 43 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 43 I C 2.541 178.576 176.117 -0.137 0.000 1.091 43 I CA 1.237 62.433 61.300 -0.174 0.000 1.368 43 I CB -0.577 37.232 38.000 -0.319 0.000 1.058 43 I HN 0.399 nan 8.210 nan 0.000 0.410 44 C N 0.244 119.463 119.300 -0.136 0.000 2.413 44 C HA -0.153 4.307 4.460 -0.000 0.000 0.276 44 C C 3.206 178.207 174.990 0.020 0.000 1.236 44 C CA 1.250 60.259 59.018 -0.015 0.000 1.735 44 C CB -0.971 26.765 27.740 -0.008 0.000 2.031 44 C HN 0.504 nan 8.230 nan 0.000 0.474 45 S N 0.960 116.650 115.700 -0.018 0.000 2.355 45 S HA -0.090 4.380 4.470 -0.000 0.000 0.222 45 S C 2.258 176.854 174.600 -0.008 0.000 1.031 45 S CA 1.297 59.494 58.200 -0.005 0.000 0.993 45 S CB -0.642 62.546 63.200 -0.021 0.000 0.859 45 S HN 0.704 nan 8.310 nan 0.000 0.453 46 A N 2.093 124.894 122.820 -0.031 0.000 1.903 46 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 46 A C 2.061 179.621 177.584 -0.039 0.000 1.191 46 A CA 1.929 53.943 52.037 -0.038 0.000 0.638 46 A CB -0.855 18.115 19.000 -0.050 0.000 0.823 46 A HN 0.708 nan 8.150 nan 0.000 0.451 47 I N -4.493 116.045 120.570 -0.053 0.000 3.956 47 I HA 0.481 4.651 4.170 -0.000 0.000 0.333 47 I C 1.093 177.251 176.117 0.068 0.000 1.302 47 I CA 0.544 61.792 61.300 -0.087 0.000 1.122 47 I CB -0.351 37.457 38.000 -0.320 0.000 1.013 47 I HN 0.415 nan 8.210 nan 0.000 0.405 48 G N 1.438 110.302 108.800 0.106 0.000 2.283 48 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.280 48 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.280 48 G C -0.347 174.749 174.900 0.326 0.000 1.029 48 G CA 0.269 45.470 45.100 0.169 0.000 0.840 48 G HN 0.476 nan 8.290 nan 0.000 0.505 49 Y N 0.329 120.667 120.300 0.064 0.000 2.419 49 Y HA 0.641 5.191 4.550 -0.000 0.000 0.328 49 Y C 1.335 177.283 175.900 0.080 0.000 1.162 49 Y CA -1.033 57.118 58.100 0.086 0.000 1.174 49 Y CB 1.253 39.813 38.460 0.166 0.000 1.228 49 Y HN 0.336 nan 8.280 nan 0.000 0.473 50 T N -1.295 113.374 114.554 0.192 0.000 2.849 50 T HA 0.265 4.615 4.350 -0.000 0.000 0.284 50 T C 1.337 176.148 174.700 0.185 0.000 1.004 50 T CA -0.687 61.494 62.100 0.135 0.000 1.021 50 T CB 1.053 69.964 68.868 0.071 0.000 1.013 50 T HN 0.759 nan 8.240 nan 0.000 0.527 51 R N 0.416 120.996 120.500 0.132 0.000 2.103 51 R HA -0.154 4.186 4.340 -0.000 0.000 0.242 51 R C 1.418 177.824 176.300 0.176 0.000 1.142 51 R CA 2.196 58.380 56.100 0.141 0.000 0.960 51 R CB -0.492 29.868 30.300 0.099 0.000 0.858 51 R HN 0.739 nan 8.270 nan 0.000 0.439 52 D N 0.101 120.577 120.400 0.127 0.000 2.178 52 D HA -0.138 4.502 4.640 -0.000 0.000 0.202 52 D C 1.660 178.029 176.300 0.114 0.000 0.974 52 D CA 1.203 55.269 54.000 0.110 0.000 0.841 52 D CB -0.088 40.752 40.800 0.067 0.000 0.953 52 D HN 0.468 nan 8.370 nan 0.000 0.478 53 E N -0.301 119.962 120.200 0.105 0.000 2.072 53 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 53 E C 1.891 178.576 176.600 0.142 0.000 0.982 53 E CA 0.255 56.682 56.400 0.046 0.000 0.803 53 E CB -0.173 29.473 29.700 -0.090 0.000 0.755 53 E HN 0.221 nan 8.360 nan 0.000 0.453 54 F N 1.206 121.244 119.950 0.146 0.000 2.171 54 F HA -0.134 4.393 4.527 -0.000 0.000 0.300 54 F C 1.816 177.669 175.800 0.089 0.000 1.090 54 F CA 1.006 59.088 58.000 0.135 0.000 1.293 54 F CB 0.165 39.199 39.000 0.057 0.000 1.013 54 F HN -0.063 nan 8.300 nan 0.000 0.486 55 L N -0.449 120.990 121.223 0.359 0.000 2.622 55 L HA -0.019 4.321 4.340 -0.000 0.000 0.233 55 L C 2.074 179.079 176.870 0.225 0.000 1.156 55 L CA 0.481 55.510 54.840 0.315 0.000 0.866 55 L CB -0.732 41.474 42.059 0.245 0.000 0.980 55 L HN 0.163 nan 8.230 nan 0.000 0.448 56 A N -0.416 122.501 122.820 0.161 0.000 2.238 56 A HA 0.259 4.579 4.320 -0.000 0.000 0.210 56 A C 0.934 178.599 177.584 0.134 0.000 1.179 56 A CA -0.076 52.031 52.037 0.116 0.000 0.827 56 A CB 0.040 19.077 19.000 0.061 0.000 0.856 56 A HN 0.241 nan 8.150 nan 0.000 0.488 57 L N 0.690 122.007 121.223 0.157 0.000 2.399 57 L HA 0.352 4.692 4.340 -0.000 0.000 0.266 57 L C -0.666 176.444 176.870 0.399 0.000 1.114 57 L CA -0.710 54.233 54.840 0.172 0.000 0.804 57 L CB 0.912 42.926 42.059 -0.075 0.000 1.146 57 L HN 0.144 nan 8.230 nan 0.000 0.451 58 D N -0.097 120.499 120.400 0.326 0.000 2.340 58 D HA 0.111 4.751 4.640 -0.000 0.000 0.240 58 D C -0.743 175.756 176.300 0.332 0.000 1.001 58 D CA -0.434 53.751 54.000 0.309 0.000 0.888 58 D CB 1.863 42.796 40.800 0.221 0.000 1.310 58 D HN 0.461 nan 8.370 nan 0.000 0.474 59 W N 1.459 122.734 121.300 -0.041 0.000 2.435 59 W HA 0.159 4.819 4.660 -0.000 0.000 0.337 59 W C 0.796 177.386 176.519 0.119 0.000 1.300 59 W CA 1.328 58.659 57.345 -0.023 0.000 1.298 59 W CB 0.192 29.559 29.460 -0.155 0.000 1.217 59 W HN 0.735 nan 8.180 nan 0.000 0.565 60 G N 2.697 111.408 108.800 -0.147 0.000 2.259 60 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.217 60 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.217 60 G C 0.545 175.428 174.900 -0.028 0.000 1.001 60 G CA 0.071 45.096 45.100 -0.125 0.000 0.627 60 G HN 0.521 nan 8.290 nan 0.000 0.501 61 V N 1.457 121.385 119.914 0.023 0.000 2.307 61 V HA -0.041 4.079 4.120 -0.000 0.000 0.245 61 V C 2.873 178.967 176.094 0.000 0.000 1.045 61 V CA 2.327 64.637 62.300 0.017 0.000 1.024 61 V CB -0.561 31.287 31.823 0.042 0.000 0.651 61 V HN 0.430 nan 8.190 nan 0.000 0.449 62 L N 0.829 122.038 121.223 -0.025 0.000 2.083 62 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 62 L C 2.276 179.180 176.870 0.058 0.000 1.083 62 L CA 1.887 56.711 54.840 -0.028 0.000 0.752 62 L CB -0.469 41.505 42.059 -0.141 0.000 0.899 62 L HN 0.543 nan 8.230 nan 0.000 0.433 63 S N -0.984 114.703 115.700 -0.023 0.000 2.597 63 S HA 0.113 4.583 4.470 -0.000 0.000 0.224 63 S C 0.711 175.344 174.600 0.054 0.000 0.955 63 S CA -0.560 57.637 58.200 -0.005 0.000 0.933 63 S CB -0.070 62.943 63.200 -0.312 0.000 0.788 63 S HN 0.348 nan 8.310 nan 0.000 0.488 64 R N -0.075 120.432 120.500 0.012 0.000 3.264 64 R HA -0.139 4.201 4.340 -0.000 0.000 0.251 64 R C 0.705 176.951 176.300 -0.090 0.000 0.971 64 R CA 0.466 56.506 56.100 -0.100 0.000 0.658 64 R CB -2.128 27.987 30.300 -0.308 0.000 1.095 64 R HN 0.620 nan 8.270 nan 0.000 0.443 65 G N -0.957 107.820 108.800 -0.040 0.000 3.453 65 G HA2 0.275 4.235 3.960 -0.000 0.000 0.263 65 G HA3 0.275 4.235 3.960 -0.000 0.000 0.263 65 G C 1.023 176.003 174.900 0.133 0.000 1.060 65 G CA -0.006 45.148 45.100 0.090 0.000 0.793 65 G HN 0.144 nan 8.290 nan 0.000 0.532 66 V N 0.675 120.621 119.914 0.053 0.000 2.256 66 V HA -0.115 4.005 4.120 -0.000 0.000 0.240 66 V C 2.398 178.518 176.094 0.043 0.000 1.036 66 V CA 1.904 64.234 62.300 0.051 0.000 1.008 66 V CB -0.345 31.495 31.823 0.028 0.000 0.648 66 V HN 0.300 nan 8.190 nan 0.000 0.453 67 D N 0.975 121.384 120.400 0.014 0.000 2.149 67 D HA -0.157 4.483 4.640 -0.000 0.000 0.198 67 D C 2.292 178.606 176.300 0.024 0.000 0.990 67 D CA 1.973 55.978 54.000 0.008 0.000 0.839 67 D CB -0.102 40.687 40.800 -0.019 0.000 0.948 67 D HN 0.595 nan 8.370 nan 0.000 0.460 68 S N -0.379 115.345 115.700 0.040 0.000 2.481 68 S HA 0.088 4.558 4.470 -0.000 0.000 0.231 68 S C 1.880 176.534 174.600 0.091 0.000 0.996 68 S CA 1.106 59.343 58.200 0.063 0.000 0.942 68 S CB 0.240 63.488 63.200 0.081 0.000 0.768 68 S HN 0.376 nan 8.310 nan 0.000 0.520 69 G N 0.064 108.924 108.800 0.099 0.000 2.176 69 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.253 69 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.253 69 G C 0.404 175.375 174.900 0.119 0.000 0.979 69 G CA 0.292 45.444 45.100 0.088 0.000 0.641 69 G HN 0.585 nan 8.290 nan 0.000 0.530 70 W N 1.234 122.532 121.300 -0.004 0.000 2.358 70 W HA 0.140 4.800 4.660 0.000 0.000 0.303 70 W C 2.433 178.964 176.519 0.021 0.000 1.208 70 W CA 3.204 60.550 57.345 0.001 0.000 1.274 70 W CB -0.425 29.016 29.460 -0.032 0.000 1.138 70 W HN 0.572 nan 8.180 nan 0.000 0.515 71 A N 0.709 123.613 122.820 0.140 0.000 1.877 71 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 71 A C 2.095 179.702 177.584 0.037 0.000 1.186 71 A CA 2.730 54.746 52.037 -0.035 0.000 0.620 71 A CB -1.571 17.469 19.000 0.067 0.000 0.822 71 A HN 0.433 nan 8.150 nan 0.000 0.443 72 A N -0.447 122.389 122.820 0.026 0.000 1.897 72 A HA 0.258 4.578 4.320 -0.000 0.000 0.215 72 A C 2.494 180.047 177.584 -0.053 0.000 1.181 72 A CA 1.888 53.930 52.037 0.009 0.000 0.620 72 A CB -0.953 18.053 19.000 0.011 0.000 0.821 72 A HN 1.018 nan 8.150 nan 0.000 0.443 73 A N 0.446 123.211 122.820 -0.092 0.000 1.898 73 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 73 A C 2.530 180.003 177.584 -0.184 0.000 1.181 73 A CA 2.330 54.298 52.037 -0.115 0.000 0.620 73 A CB -0.968 17.980 19.000 -0.086 0.000 0.819 73 A HN 0.926 nan 8.150 nan 0.000 0.442 74 S N -0.230 115.259 115.700 -0.351 0.000 2.368 74 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 74 S C 1.880 176.373 174.600 -0.177 0.000 1.029 74 S CA 1.387 59.371 58.200 -0.359 0.000 0.988 74 S CB -0.716 61.978 63.200 -0.843 0.000 0.838 74 S HN 0.408 nan 8.310 nan 0.000 0.462 75 L N 2.415 123.570 121.223 -0.112 0.000 2.012 75 L HA 0.080 4.420 4.340 -0.000 0.000 0.210 75 L C 2.760 179.526 176.870 -0.173 0.000 1.073 75 L CA 1.831 56.538 54.840 -0.222 0.000 0.748 75 L CB -1.319 40.628 42.059 -0.187 0.000 0.891 75 L HN 0.371 nan 8.230 nan 0.000 0.431 76 A N -0.492 122.255 122.820 -0.121 0.000 1.908 76 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 76 A C 2.420 179.948 177.584 -0.093 0.000 1.181 76 A CA 2.009 53.989 52.037 -0.095 0.000 0.627 76 A CB -0.585 18.373 19.000 -0.070 0.000 0.818 76 A HN 0.534 nan 8.150 nan 0.000 0.445 77 R N -0.768 119.672 120.500 -0.099 0.000 2.075 77 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 77 R C 2.017 178.262 176.300 -0.092 0.000 1.126 77 R CA 1.490 57.541 56.100 -0.082 0.000 0.963 77 R CB -0.463 29.793 30.300 -0.074 0.000 0.858 77 R HN 0.591 nan 8.270 nan 0.000 0.435 78 I N 0.153 120.647 120.570 -0.126 0.000 2.163 78 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 78 I C 2.259 178.303 176.117 -0.122 0.000 1.081 78 I CA 1.108 62.322 61.300 -0.142 0.000 1.353 78 I CB -0.284 37.590 38.000 -0.211 0.000 1.054 78 I HN -0.057 nan 8.210 nan 0.000 0.407 79 V N 1.109 120.946 119.914 -0.130 0.000 2.469 79 V HA -0.224 3.896 4.120 -0.000 0.000 0.251 79 V C 2.361 178.410 176.094 -0.075 0.000 1.064 79 V CA 2.090 64.327 62.300 -0.105 0.000 1.066 79 V CB -1.252 30.505 31.823 -0.109 0.000 0.667 79 V HN 0.617 nan 8.190 nan 0.000 0.461 80 G N -0.998 107.761 108.800 -0.070 0.000 2.848 80 G HA2 0.296 4.256 3.960 -0.000 0.000 0.208 80 G HA3 0.296 4.256 3.960 -0.000 0.000 0.208 80 G C 1.173 176.047 174.900 -0.042 0.000 1.152 80 G CA 0.699 45.768 45.100 -0.051 0.000 0.789 80 G HN 1.020 nan 8.290 nan 0.000 0.531 81 G N -0.597 108.175 108.800 -0.047 0.000 2.134 81 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.209 81 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.209 81 G C -0.087 174.794 174.900 -0.031 0.000 0.993 81 G CA 0.180 45.260 45.100 -0.034 0.000 0.669 81 G HN 0.594 nan 8.290 nan 0.000 0.519 82 E N 1.410 121.582 120.200 -0.046 0.000 2.073 82 E HA 0.482 4.832 4.350 -0.000 0.000 0.269 82 E C -2.384 174.171 176.600 -0.075 0.000 0.917 82 E CA -2.294 54.081 56.400 -0.043 0.000 0.757 82 E CB 1.598 31.277 29.700 -0.035 0.000 1.111 82 E HN 0.138 nan 8.360 nan 0.000 0.410 83 P HA -0.005 nan 4.420 nan 0.000 0.268 83 P C -0.495 176.706 177.300 -0.165 0.000 1.205 83 P CA -0.018 62.944 63.100 -0.229 0.000 0.771 83 P CB 0.531 32.056 31.700 -0.291 0.000 0.858 84 L N 3.351 124.469 121.223 -0.174 0.000 2.326 84 L HA 0.547 4.887 4.340 -0.000 0.000 0.278 84 L C 0.213 177.077 176.870 -0.010 0.000 1.092 84 L CA -0.464 54.360 54.840 -0.026 0.000 0.810 84 L CB 0.585 42.687 42.059 0.072 0.000 1.153 84 L HN 0.252 nan 8.230 nan 0.000 0.439 85 R N 4.374 124.912 120.500 0.064 0.000 2.631 85 R HA 0.414 4.754 4.340 -0.000 0.000 0.289 85 R C -1.787 174.585 176.300 0.120 0.000 1.303 85 R CA -0.342 55.811 56.100 0.088 0.000 0.989 85 R CB 0.792 31.130 30.300 0.062 0.000 1.208 85 R HN 0.823 nan 8.270 nan 0.000 0.461 86 E N 1.468 121.764 120.200 0.160 0.000 2.416 86 E HA 0.323 4.673 4.350 -0.000 0.000 0.280 86 E C -1.270 175.407 176.600 0.129 0.000 1.055 86 E CA -1.061 55.428 56.400 0.150 0.000 0.825 86 E CB 1.328 31.151 29.700 0.205 0.000 1.312 86 E HN 0.408 nan 8.360 nan 0.000 0.452 87 E N 0.847 121.086 120.200 0.065 0.000 2.313 87 E HA 0.426 4.776 4.350 -0.000 0.000 0.272 87 E C -0.579 175.986 176.600 -0.058 0.000 1.038 87 E CA -0.854 55.553 56.400 0.011 0.000 0.863 87 E CB 1.128 30.819 29.700 -0.014 0.000 1.060 87 E HN 0.204 nan 8.360 nan 0.000 0.402 88 R N 1.222 121.659 120.500 -0.104 0.000 2.621 88 R HA 0.336 4.676 4.340 -0.000 0.000 0.284 88 R C -0.881 175.270 176.300 -0.248 0.000 0.998 88 R CA -0.683 55.280 56.100 -0.229 0.000 0.895 88 R CB 1.975 32.100 30.300 -0.291 0.000 1.195 88 R HN 0.451 nan 8.270 nan 0.000 0.450 89 T N 1.638 115.991 114.554 -0.335 0.000 2.869 89 T HA 0.325 4.675 4.350 -0.000 0.000 0.295 89 T C 0.166 174.501 174.700 -0.608 0.000 0.987 89 T CA -0.241 61.529 62.100 -0.550 0.000 1.109 89 T CB 1.094 69.489 68.868 -0.789 0.000 0.932 89 T HN 0.105 nan 8.240 nan 0.000 0.518 90 V N 3.997 123.565 119.914 -0.576 0.000 2.513 90 V HA 0.438 4.558 4.120 -0.000 0.000 0.299 90 V C -0.749 175.097 176.094 -0.414 0.000 1.035 90 V CA -0.931 61.168 62.300 -0.335 0.000 0.889 90 V CB 1.714 33.408 31.823 -0.216 0.000 0.988 90 V HN 0.819 nan 8.190 nan 0.000 0.440 91 W N 3.593 124.828 121.300 -0.108 0.000 2.424 91 W HA 0.407 5.067 4.660 -0.000 0.000 0.318 91 W C 0.458 176.942 176.519 -0.058 0.000 1.016 91 W CA -0.553 56.748 57.345 -0.074 0.000 1.268 91 W CB 2.109 31.529 29.460 -0.065 0.000 1.297 91 W HN 0.659 nan 8.180 nan 0.000 0.428 92 T N -0.565 114.071 114.554 0.138 0.000 2.847 92 T HA 0.242 4.592 4.350 -0.000 0.000 0.279 92 T C 1.422 176.244 174.700 0.203 0.000 0.984 92 T CA -0.500 61.689 62.100 0.149 0.000 0.988 92 T CB 1.459 70.395 68.868 0.112 0.000 1.040 92 T HN 0.561 nan 8.240 nan 0.000 0.528 93 R N 0.896 121.557 120.500 0.268 0.000 2.235 93 R HA -0.040 4.300 4.340 -0.000 0.000 0.213 93 R C 1.479 177.830 176.300 0.085 0.000 1.059 93 R CA 1.593 57.770 56.100 0.128 0.000 0.997 93 R CB -0.870 29.452 30.300 0.038 0.000 0.884 93 R HN 0.871 nan 8.270 nan 0.000 0.462 94 N N -0.634 118.134 118.700 0.113 0.000 2.322 94 N HA 0.118 4.858 4.740 -0.000 0.000 0.194 94 N C 0.810 176.362 175.510 0.071 0.000 1.126 94 N CA 0.261 53.355 53.050 0.074 0.000 0.845 94 N CB 0.950 39.483 38.487 0.077 0.000 0.976 94 N HN 0.313 nan 8.380 nan 0.000 0.475 95 G N -0.252 108.603 108.800 0.092 0.000 2.176 95 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.232 95 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.232 95 G C -0.667 174.288 174.900 0.092 0.000 0.986 95 G CA -0.021 45.135 45.100 0.093 0.000 0.643 95 G HN 0.422 nan 8.290 nan 0.000 0.522 96 D N 0.416 120.858 120.400 0.070 0.000 2.344 96 D HA 0.496 5.136 4.640 -0.000 0.000 0.244 96 D C 0.416 176.698 176.300 -0.030 0.000 1.134 96 D CA 0.405 54.416 54.000 0.019 0.000 0.930 96 D CB 1.124 41.927 40.800 0.005 0.000 1.175 96 D HN 0.449 nan 8.370 nan 0.000 0.437 97 Q N 0.932 120.660 119.800 -0.119 0.000 2.305 97 Q HA 0.576 4.916 4.340 -0.000 0.000 0.271 97 Q C -1.458 174.378 176.000 -0.275 0.000 1.046 97 Q CA -0.750 54.865 55.803 -0.313 0.000 0.798 97 Q CB 1.446 29.976 28.738 -0.348 0.000 1.286 97 Q HN 0.504 nan 8.270 nan 0.000 0.435 98 L N -0.367 120.657 121.223 -0.330 0.000 2.415 98 L HA 0.792 5.132 4.340 -0.000 0.000 0.256 98 L C -0.998 175.703 176.870 -0.281 0.000 1.010 98 L CA -0.929 53.766 54.840 -0.242 0.000 0.826 98 L CB 2.451 44.413 42.059 -0.162 0.000 1.405 98 L HN 0.367 nan 8.230 nan 0.000 0.410 99 T N 1.953 116.385 114.554 -0.204 0.000 2.779 99 T HA 0.652 5.002 4.350 -0.000 0.000 0.280 99 T C -0.284 174.349 174.700 -0.111 0.000 0.987 99 T CA -0.496 61.494 62.100 -0.183 0.000 0.966 99 T CB 1.711 70.483 68.868 -0.161 0.000 0.933 99 T HN 0.698 nan 8.240 nan 0.000 0.442 100 V N 0.826 120.686 119.914 -0.090 0.000 2.914 100 V HA 0.701 4.821 4.120 -0.000 0.000 0.314 100 V C -0.489 175.609 176.094 0.007 0.000 1.084 100 V CA -1.177 61.106 62.300 -0.027 0.000 0.963 100 V CB 2.093 33.918 31.823 0.003 0.000 1.025 100 V HN 0.868 nan 8.190 nan 0.000 0.432 101 E N 2.484 122.708 120.200 0.039 0.000 2.146 101 E HA 0.555 4.905 4.350 -0.000 0.000 0.282 101 E C -1.323 175.353 176.600 0.127 0.000 0.989 101 E CA -0.640 55.802 56.400 0.070 0.000 0.799 101 E CB 1.362 31.097 29.700 0.059 0.000 1.088 101 E HN 0.755 nan 8.360 nan 0.000 0.397 102 L N 2.962 124.292 121.223 0.178 0.000 2.322 102 L HA 0.424 4.764 4.340 -0.000 0.000 0.279 102 L C -0.231 176.772 176.870 0.221 0.000 1.036 102 L CA -0.675 54.329 54.840 0.274 0.000 0.807 102 L CB 1.905 44.215 42.059 0.419 0.000 1.226 102 L HN 0.455 nan 8.230 nan 0.000 0.433 103 S N 1.553 117.366 115.700 0.189 0.000 2.513 103 S HA 0.849 5.319 4.470 -0.000 0.000 0.299 103 S C -0.662 173.968 174.600 0.050 0.000 1.087 103 S CA -0.643 57.622 58.200 0.109 0.000 1.012 103 S CB 2.077 65.369 63.200 0.153 0.000 1.044 103 S HN 0.700 nan 8.310 nan 0.000 0.485 104 A N 2.460 125.213 122.820 -0.113 0.000 2.427 104 A HA 0.767 5.087 4.320 -0.000 0.000 0.298 104 A C -1.594 175.768 177.584 -0.371 0.000 1.036 104 A CA -0.659 51.284 52.037 -0.156 0.000 0.701 104 A CB 0.852 19.797 19.000 -0.092 0.000 1.250 104 A HN 0.901 nan 8.150 nan 0.000 0.412 105 H N 0.718 119.731 119.070 -0.094 0.000 2.667 105 H HA 0.492 5.048 4.556 -0.000 0.000 0.353 105 H C -0.625 174.646 175.328 -0.095 0.000 1.072 105 H CA -0.577 55.425 56.048 -0.077 0.000 1.214 105 H CB 1.770 31.497 29.762 -0.058 0.000 1.600 105 H HN 0.655 nan 8.280 nan 0.000 0.527 106 L N 3.857 125.084 121.223 0.005 0.000 2.462 106 L HA 0.181 4.521 4.340 -0.000 0.000 0.272 106 L C -0.978 175.883 176.870 -0.015 0.000 1.166 106 L CA 0.322 55.142 54.840 -0.033 0.000 0.880 106 L CB -0.137 41.894 42.059 -0.046 0.000 1.142 106 L HN 0.525 nan 8.230 nan 0.000 0.473 107 L N 6.898 128.097 121.223 -0.041 0.000 2.416 107 L HA 0.397 4.737 4.340 -0.000 0.000 0.262 107 L C -1.213 175.625 176.870 -0.053 0.000 1.093 107 L CA -1.689 53.120 54.840 -0.052 0.000 0.801 107 L CB 0.475 42.489 42.059 -0.075 0.000 1.191 107 L HN 0.494 nan 8.230 nan 0.000 0.459 108 P HA -0.170 nan 4.420 nan 0.000 0.218 108 P C 0.404 177.673 177.300 -0.051 0.000 1.148 108 P CA 1.093 64.162 63.100 -0.051 0.000 0.822 108 P CB 0.003 31.671 31.700 -0.054 0.000 0.784 109 D N -2.003 118.361 120.400 -0.060 0.000 2.336 109 D HA 0.115 4.755 4.640 -0.000 0.000 0.228 109 D C 1.372 177.642 176.300 -0.050 0.000 1.120 109 D CA 0.316 54.284 54.000 -0.055 0.000 0.839 109 D CB -0.767 39.995 40.800 -0.062 0.000 0.932 109 D HN 0.231 nan 8.370 nan 0.000 0.509 110 G N 0.236 109.005 108.800 -0.052 0.000 2.253 110 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.251 110 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.251 110 G C 0.390 175.253 174.900 -0.061 0.000 0.998 110 G CA 0.269 45.337 45.100 -0.053 0.000 0.621 110 G HN 0.494 nan 8.290 nan 0.000 0.524 111 K N -0.105 120.259 120.400 -0.060 0.000 2.149 111 K HA 0.665 4.985 4.320 -0.000 0.000 0.245 111 K C 0.138 176.692 176.600 -0.076 0.000 1.024 111 K CA -0.108 56.141 56.287 -0.062 0.000 0.899 111 K CB 0.823 33.293 32.500 -0.050 0.000 1.038 111 K HN 0.254 nan 8.250 nan 0.000 0.496 112 I N 1.884 122.404 120.570 -0.083 0.000 2.436 112 I HA 0.179 4.349 4.170 -0.000 0.000 0.289 112 I C -1.102 174.961 176.117 -0.091 0.000 1.010 112 I CA -0.998 60.238 61.300 -0.106 0.000 1.098 112 I CB 1.630 39.521 38.000 -0.182 0.000 1.266 112 I HN 0.308 nan 8.210 nan 0.000 0.434 113 L N 6.391 127.558 121.223 -0.093 0.000 2.265 113 L HA 0.763 5.103 4.340 -0.000 0.000 0.288 113 L C 0.140 176.848 176.870 -0.270 0.000 1.058 113 L CA 0.342 55.110 54.840 -0.119 0.000 0.809 113 L CB 1.003 43.039 42.059 -0.039 0.000 1.179 113 L HN 0.631 nan 8.230 nan 0.000 0.429 114 G N 5.755 114.138 108.800 -0.693 0.000 2.448 114 G HA2 0.688 4.648 3.960 -0.000 0.000 0.324 114 G HA3 0.688 4.648 3.960 -0.000 0.000 0.324 114 G C -1.162 173.305 174.900 -0.722 0.000 1.203 114 G CA -0.570 43.858 45.100 -1.120 0.000 0.954 114 G HN 0.613 nan 8.290 nan 0.000 0.480 115 I N 0.754 121.177 120.570 -0.245 0.000 2.545 115 I HA 0.597 4.767 4.170 -0.000 0.000 0.292 115 I C 0.065 176.274 176.117 0.153 0.000 1.040 115 I CA -0.945 60.343 61.300 -0.021 0.000 1.068 115 I CB 2.429 40.445 38.000 0.027 0.000 1.251 115 I HN 0.573 nan 8.210 nan 0.000 0.424 116 A N 6.562 129.498 122.820 0.193 0.000 2.330 116 A HA 0.832 5.152 4.320 -0.000 0.000 0.313 116 A C -0.628 177.016 177.584 0.101 0.000 1.124 116 A CA -0.624 51.537 52.037 0.207 0.000 0.774 116 A CB 0.981 20.136 19.000 0.259 0.000 1.198 116 A HN 0.766 nan 8.150 nan 0.000 0.465 117 R N 1.745 122.291 120.500 0.077 0.000 2.740 117 R HA 0.384 4.724 4.340 -0.000 0.000 0.282 117 R C -1.226 175.087 176.300 0.021 0.000 0.969 117 R CA -0.999 55.125 56.100 0.040 0.000 0.918 117 R CB 1.674 31.998 30.300 0.040 0.000 1.175 117 R HN 0.712 nan 8.270 nan 0.000 0.464 118 D N 1.652 122.054 120.400 0.003 0.000 2.423 118 D HA 0.202 4.842 4.640 -0.000 0.000 0.238 118 D C 0.117 176.412 176.300 -0.009 0.000 1.142 118 D CA 0.561 54.554 54.000 -0.012 0.000 0.884 118 D CB 1.316 42.106 40.800 -0.018 0.000 1.199 118 D HN 0.287 nan 8.370 nan 0.000 0.438 119 V N 0.000 119.902 119.914 -0.020 0.000 2.409 119 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 119 V CA 0.000 62.289 62.300 -0.018 0.000 1.235 119 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 119 V HN 0.000 nan 8.190 nan 0.000 0.556