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 1ca7_1_C DATA FIRST_RESID 1 DATA SEQUENCE PMFIVNTNVP RASVPDGFLS ELTQQLAQAT GKPPQYIAVH VVPDQLMAFG DATA SEQUENCE GSSEPCALCS LHSIGKIGGA QNRSYSKLLC GLLAERLRIS PDRVYINYYD DATA SEQUENCE MNAANVGWNN STFA 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.338 177.300 0.063 0.000 1.155 1 P CA 0.000 63.096 63.100 -0.007 0.000 0.800 1 P CB 0.000 31.677 31.700 -0.037 0.000 0.726 2 M N 2.297 121.979 119.600 0.137 0.000 2.204 2 M HA 0.615 5.095 4.480 0.000 0.000 0.293 2 M C -2.007 174.465 176.300 0.287 0.000 0.994 2 M CA -0.619 54.788 55.300 0.179 0.000 0.925 2 M CB 1.427 34.107 32.600 0.133 0.000 1.577 2 M HN 0.409 nan 8.290 nan 0.000 0.439 3 F N 6.595 126.588 119.950 0.071 0.000 2.467 3 F HA 0.696 5.223 4.527 0.000 0.000 0.336 3 F C -1.605 174.236 175.800 0.068 0.000 1.123 3 F CA -0.789 57.240 58.000 0.049 0.000 0.964 3 F CB 1.044 40.033 39.000 -0.017 0.000 1.136 3 F HN 0.469 nan 8.300 nan 0.000 0.447 4 I N 6.552 126.746 120.570 -0.626 0.000 2.509 4 I HA 0.535 4.705 4.170 0.000 0.000 0.293 4 I C -1.197 174.457 176.117 -0.772 0.000 1.020 4 I CA -1.142 59.855 61.300 -0.504 0.000 1.088 4 I CB 2.041 39.920 38.000 -0.202 0.000 1.267 4 I HN 0.227 nan 8.210 nan 0.000 0.430 5 V N 4.622 124.213 119.914 -0.538 0.000 2.531 5 V HA 0.432 4.552 4.120 0.000 0.000 0.301 5 V C -0.699 175.274 176.094 -0.202 0.000 1.034 5 V CA -0.709 61.388 62.300 -0.339 0.000 0.865 5 V CB 1.724 33.480 31.823 -0.111 0.000 0.995 5 V HN 0.691 nan 8.190 nan 0.000 0.424 6 N N 1.763 120.387 118.700 -0.128 0.000 2.372 6 N HA 0.755 5.495 4.740 0.000 0.000 0.285 6 N C -0.663 174.832 175.510 -0.025 0.000 1.008 6 N CA -0.314 52.687 53.050 -0.083 0.000 0.880 6 N CB 2.213 40.658 38.487 -0.070 0.000 1.239 6 N HN 0.781 nan 8.380 nan 0.000 0.484 7 T N -0.118 114.426 114.554 -0.017 0.000 2.868 7 T HA 0.278 4.628 4.350 0.000 0.000 0.306 7 T C -0.205 174.492 174.700 -0.005 0.000 1.224 7 T CA -0.734 61.364 62.100 -0.003 0.000 1.012 7 T CB 0.693 69.559 68.868 -0.003 0.000 1.221 7 T HN 0.599 nan 8.240 nan 0.000 0.499 8 N N 1.598 120.296 118.700 -0.003 0.000 2.398 8 N HA 0.064 4.804 4.740 0.000 0.000 0.188 8 N C 0.446 175.948 175.510 -0.013 0.000 1.122 8 N CA 0.026 53.074 53.050 -0.003 0.000 0.866 8 N CB -0.370 38.119 38.487 0.004 0.000 0.970 8 N HN 0.315 nan 8.380 nan 0.000 0.462 9 V N 3.470 123.371 119.914 -0.022 0.000 2.599 9 V HA 0.109 4.229 4.120 0.000 0.000 0.300 9 V C -1.732 174.345 176.094 -0.027 0.000 1.034 9 V CA -1.053 61.227 62.300 -0.033 0.000 1.115 9 V CB 0.543 32.334 31.823 -0.052 0.000 0.934 9 V HN 0.212 nan 8.190 nan 0.000 0.485 10 P HA 0.097 nan 4.420 nan 0.000 0.272 10 P C 0.617 177.905 177.300 -0.021 0.000 1.230 10 P CA -0.387 62.702 63.100 -0.019 0.000 0.788 10 P CB 0.763 32.453 31.700 -0.018 0.000 0.949 11 R N 2.295 122.790 120.500 -0.009 0.000 2.091 11 R HA -0.150 4.190 4.340 0.000 0.000 0.238 11 R C 2.074 178.368 176.300 -0.010 0.000 1.136 11 R CA 2.176 58.275 56.100 -0.002 0.000 0.959 11 R CB -1.544 28.761 30.300 0.010 0.000 0.856 11 R HN 0.596 nan 8.270 nan 0.000 0.437 12 A N -0.261 122.552 122.820 -0.012 0.000 2.131 12 A HA -0.089 4.232 4.320 0.000 0.000 0.220 12 A C 2.032 179.598 177.584 -0.030 0.000 1.158 12 A CA 1.713 53.741 52.037 -0.015 0.000 0.665 12 A CB -0.241 18.752 19.000 -0.012 0.000 0.795 12 A HN 0.341 nan 8.150 nan 0.000 0.460 13 S N -0.800 114.873 115.700 -0.045 0.000 2.593 13 S HA 0.157 4.627 4.470 0.000 0.000 0.217 13 S C 0.394 174.925 174.600 -0.116 0.000 0.966 13 S CA -0.032 58.126 58.200 -0.071 0.000 0.914 13 S CB 0.048 63.205 63.200 -0.071 0.000 0.776 13 S HN 0.244 nan 8.310 nan 0.000 0.523 14 V N 5.323 125.173 119.914 -0.106 0.000 2.408 14 V HA 0.254 4.374 4.120 0.000 0.000 0.267 14 V C -1.850 174.187 176.094 -0.095 0.000 1.047 14 V CA -1.979 60.222 62.300 -0.165 0.000 0.937 14 V CB 0.338 32.122 31.823 -0.064 0.000 0.999 14 V HN 0.207 nan 8.190 nan 0.000 0.472 15 P HA 0.225 nan 4.420 nan 0.000 0.274 15 P C -0.641 176.695 177.300 0.060 0.000 1.231 15 P CA -0.543 62.541 63.100 -0.027 0.000 0.790 15 P CB 0.847 32.525 31.700 -0.036 0.000 0.951 16 D N 0.421 120.855 120.400 0.057 0.000 2.443 16 D HA 0.249 4.889 4.640 0.000 0.000 0.239 16 D C 1.596 177.960 176.300 0.105 0.000 1.136 16 D CA 1.471 55.517 54.000 0.077 0.000 0.879 16 D CB -0.062 40.768 40.800 0.050 0.000 1.195 16 D HN 0.723 nan 8.370 nan 0.000 0.443 17 G N 1.452 110.321 108.800 0.115 0.000 2.179 17 G HA2 -0.365 3.595 3.960 0.000 0.000 0.260 17 G HA3 -0.365 3.595 3.960 0.000 0.000 0.260 17 G C 0.829 175.828 174.900 0.165 0.000 0.977 17 G CA 0.268 45.434 45.100 0.110 0.000 0.641 17 G HN 0.461 nan 8.290 nan 0.000 0.533 18 F N 0.651 120.622 119.950 0.034 0.000 2.102 18 F HA 0.156 4.683 4.527 0.000 0.000 0.298 18 F C 2.379 178.213 175.800 0.056 0.000 1.105 18 F CA 1.955 59.981 58.000 0.043 0.000 1.239 18 F CB -0.379 38.648 39.000 0.046 0.000 0.991 18 F HN 0.155 nan 8.300 nan 0.000 0.474 19 L N 0.041 121.270 121.223 0.011 0.000 2.083 19 L HA -0.209 4.131 4.340 0.000 0.000 0.209 19 L C 2.592 179.417 176.870 -0.074 0.000 1.083 19 L CA 2.062 56.855 54.840 -0.077 0.000 0.752 19 L CB -1.295 40.780 42.059 0.027 0.000 0.899 19 L HN 0.143 nan 8.230 nan 0.000 0.433 20 S N -1.388 114.300 115.700 -0.019 0.000 2.387 20 S HA -0.195 4.275 4.470 0.000 0.000 0.226 20 S C 1.866 176.446 174.600 -0.035 0.000 1.026 20 S CA 1.030 59.222 58.200 -0.014 0.000 0.972 20 S CB -0.335 62.873 63.200 0.014 0.000 0.814 20 S HN 0.513 nan 8.310 nan 0.000 0.477 21 E N 1.414 121.590 120.200 -0.040 0.000 2.072 21 E HA -0.072 4.278 4.350 0.000 0.000 0.191 21 E C 1.957 178.486 176.600 -0.118 0.000 0.985 21 E CA 0.728 57.102 56.400 -0.043 0.000 0.801 21 E CB -0.177 29.538 29.700 0.025 0.000 0.750 21 E HN 0.455 nan 8.360 nan 0.000 0.452 22 L N 0.434 121.515 121.223 -0.236 0.000 2.046 22 L HA -0.179 4.161 4.340 0.000 0.000 0.208 22 L C 2.633 179.412 176.870 -0.152 0.000 1.077 22 L CA 1.617 56.300 54.840 -0.261 0.000 0.747 22 L CB -0.589 41.266 42.059 -0.340 0.000 0.896 22 L HN 0.237 nan 8.230 nan 0.000 0.432 23 T N -0.943 113.552 114.554 -0.098 0.000 2.674 23 T HA -0.243 4.107 4.350 0.000 0.000 0.265 23 T C 1.861 176.530 174.700 -0.051 0.000 1.039 23 T CA 1.380 63.448 62.100 -0.054 0.000 1.150 23 T CB -0.235 68.617 68.868 -0.027 0.000 0.864 23 T HN 0.368 nan 8.240 nan 0.000 0.427 24 Q N 0.485 120.258 119.800 -0.045 0.000 2.002 24 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 24 Q C 2.748 178.723 176.000 -0.041 0.000 0.988 24 Q CA 1.167 56.951 55.803 -0.032 0.000 0.843 24 Q CB -0.216 28.509 28.738 -0.020 0.000 0.908 24 Q HN 0.373 nan 8.270 nan 0.000 0.420 25 Q N 0.446 120.212 119.800 -0.057 0.000 2.152 25 Q HA -0.138 4.202 4.340 0.000 0.000 0.206 25 Q C 2.133 178.084 176.000 -0.081 0.000 0.985 25 Q CA 1.282 57.047 55.803 -0.062 0.000 0.863 25 Q CB -0.285 28.408 28.738 -0.074 0.000 0.904 25 Q HN 0.432 nan 8.270 nan 0.000 0.422 26 L N -0.458 120.693 121.223 -0.119 0.000 2.156 26 L HA -0.094 4.246 4.340 0.000 0.000 0.208 26 L C 2.325 179.140 176.870 -0.091 0.000 1.095 26 L CA 0.791 55.541 54.840 -0.149 0.000 0.770 26 L CB -0.474 41.471 42.059 -0.190 0.000 0.914 26 L HN 0.109 nan 8.230 nan 0.000 0.439 27 A N -0.742 122.045 122.820 -0.056 0.000 1.902 27 A HA -0.210 4.110 4.320 0.000 0.000 0.217 27 A C 2.238 179.812 177.584 -0.017 0.000 1.181 27 A CA 1.191 53.212 52.037 -0.028 0.000 0.623 27 A CB -0.351 18.642 19.000 -0.011 0.000 0.818 27 A HN 0.352 nan 8.150 nan 0.000 0.443 28 Q N -0.461 119.330 119.800 -0.015 0.000 2.002 28 Q HA -0.196 4.144 4.340 0.000 0.000 0.204 28 Q C 2.545 178.553 176.000 0.013 0.000 0.988 28 Q CA 1.797 57.598 55.803 -0.003 0.000 0.843 28 Q CB -0.765 27.971 28.738 -0.005 0.000 0.908 28 Q HN 0.633 nan 8.270 nan 0.000 0.420 29 A N 0.907 123.739 122.820 0.019 0.000 1.892 29 A HA -0.209 4.111 4.320 0.000 0.000 0.218 29 A C 2.292 179.965 177.584 0.148 0.000 1.188 29 A CA 2.756 54.848 52.037 0.092 0.000 0.631 29 A CB -1.006 18.053 19.000 0.099 0.000 0.822 29 A HN 0.594 nan 8.150 nan 0.000 0.447 30 T N -4.457 110.133 114.554 0.060 0.000 3.043 30 T HA 0.371 4.721 4.350 0.000 0.000 0.263 30 T C 1.461 176.177 174.700 0.026 0.000 1.094 30 T CA 1.158 63.295 62.100 0.062 0.000 1.127 30 T CB -0.162 68.681 68.868 -0.040 0.000 0.905 30 T HN 1.857 nan 8.240 nan 0.000 0.490 31 G N 1.674 110.478 108.800 0.008 0.000 2.147 31 G HA2 -0.196 3.764 3.960 0.000 0.000 0.244 31 G HA3 -0.196 3.764 3.960 0.000 0.000 0.244 31 G C -0.131 174.754 174.900 -0.025 0.000 1.005 31 G CA 0.008 45.105 45.100 -0.006 0.000 0.713 31 G HN 0.613 nan 8.290 nan 0.000 0.515 32 K N 0.059 120.441 120.400 -0.031 0.000 2.156 32 K HA 0.504 4.825 4.320 0.000 0.000 0.254 32 K C -2.656 173.952 176.600 0.014 0.000 0.950 32 K CA -2.054 54.205 56.287 -0.047 0.000 0.849 32 K CB 1.842 34.291 32.500 -0.084 0.000 1.100 32 K HN -0.033 nan 8.250 nan 0.000 0.434 33 P HA 0.048 nan 4.420 nan 0.000 0.268 33 P C -1.771 175.595 177.300 0.110 0.000 1.204 33 P CA -1.025 62.144 63.100 0.115 0.000 0.768 33 P CB 0.269 32.097 31.700 0.213 0.000 0.842 34 P HA -0.188 nan 4.420 nan 0.000 0.223 34 P C 1.076 178.383 177.300 0.011 0.000 1.144 34 P CA 1.239 64.354 63.100 0.025 0.000 0.783 34 P CB 0.164 31.869 31.700 0.007 0.000 0.771 35 Q N -1.457 118.333 119.800 -0.017 0.000 2.436 35 Q HA -0.091 4.250 4.340 0.000 0.000 0.209 35 Q C 1.213 177.080 176.000 -0.222 0.000 0.965 35 Q CA 1.001 56.729 55.803 -0.124 0.000 0.910 35 Q CB -0.304 28.319 28.738 -0.191 0.000 0.980 35 Q HN 0.461 nan 8.270 nan 0.000 0.491 36 Y N -0.886 119.374 120.300 -0.068 0.000 2.481 36 Y HA 0.112 4.662 4.550 0.000 0.000 0.258 36 Y C 0.770 176.618 175.900 -0.086 0.000 1.103 36 Y CA -0.411 57.618 58.100 -0.118 0.000 1.287 36 Y CB 0.796 39.148 38.460 -0.180 0.000 1.108 36 Y HN -0.073 nan 8.280 nan 0.000 0.529 37 I N 1.310 121.929 120.570 0.081 0.000 2.496 37 I HA 0.250 4.420 4.170 0.000 0.000 0.285 37 I C 0.382 176.529 176.117 0.050 0.000 1.080 37 I CA -0.359 60.970 61.300 0.048 0.000 1.404 37 I CB 0.163 38.176 38.000 0.020 0.000 1.403 37 I HN -0.024 nan 8.210 nan 0.000 0.539 38 A N 7.146 130.007 122.820 0.068 0.000 2.318 38 A HA 0.722 5.042 4.320 0.000 0.000 0.317 38 A C -0.613 177.033 177.584 0.104 0.000 1.159 38 A CA -0.479 51.602 52.037 0.074 0.000 0.799 38 A CB 1.349 20.394 19.000 0.075 0.000 1.194 38 A HN 0.453 nan 8.150 nan 0.000 0.479 39 V N 2.888 122.860 119.914 0.097 0.000 2.680 39 V HA 0.515 4.635 4.120 0.000 0.000 0.309 39 V C -0.482 175.705 176.094 0.155 0.000 1.052 39 V CA -0.435 61.945 62.300 0.132 0.000 0.908 39 V CB 1.869 33.745 31.823 0.088 0.000 1.001 39 V HN 0.994 nan 8.190 nan 0.000 0.431 40 H N 2.723 121.796 119.070 0.006 0.000 2.934 40 H HA 0.693 5.249 4.556 0.000 0.000 0.340 40 H C -2.040 173.273 175.328 -0.025 0.000 1.008 40 H CA -0.517 55.524 56.048 -0.010 0.000 1.317 40 H CB 2.125 31.871 29.762 -0.027 0.000 1.670 40 H HN 0.461 nan 8.280 nan 0.000 0.516 41 V N 6.206 126.184 119.914 0.107 0.000 2.448 41 V HA 0.242 4.362 4.120 0.000 0.000 0.295 41 V C -0.398 175.670 176.094 -0.043 0.000 1.025 41 V CA -0.700 61.608 62.300 0.013 0.000 0.859 41 V CB 1.665 33.599 31.823 0.186 0.000 0.988 41 V HN 0.538 nan 8.190 nan 0.000 0.431 42 V N 7.570 127.398 119.914 -0.143 0.000 2.289 42 V HA 0.390 4.510 4.120 0.000 0.000 0.272 42 V C -2.106 173.964 176.094 -0.040 0.000 1.026 42 V CA -1.285 60.954 62.300 -0.102 0.000 0.807 42 V CB 1.312 33.018 31.823 -0.195 0.000 1.044 42 V HN 0.711 nan 8.190 nan 0.000 0.443 43 P HA 0.378 nan 4.420 nan 0.000 0.284 43 P C -0.275 177.025 177.300 -0.001 0.000 1.292 43 P CA -0.114 62.986 63.100 -0.001 0.000 0.800 43 P CB 0.949 32.654 31.700 0.007 0.000 1.188 44 D N -2.533 117.865 120.400 -0.003 0.000 2.911 44 D HA -0.114 4.526 4.640 0.000 0.000 0.227 44 D C -0.065 176.236 176.300 0.001 0.000 1.164 44 D CA 1.012 55.012 54.000 -0.001 0.000 0.782 44 D CB -0.738 40.064 40.800 0.003 0.000 1.094 44 D HN 0.384 nan 8.370 nan 0.000 0.425 45 Q N -0.146 119.653 119.800 -0.000 0.000 2.354 45 Q HA 0.372 4.712 4.340 0.000 0.000 0.244 45 Q C 0.466 176.470 176.000 0.008 0.000 0.969 45 Q CA -0.455 55.349 55.803 0.002 0.000 0.885 45 Q CB 0.972 29.709 28.738 -0.001 0.000 1.241 45 Q HN 0.242 nan 8.270 nan 0.000 0.461 46 L N 4.270 125.499 121.223 0.010 0.000 2.328 46 L HA 0.261 4.601 4.340 0.000 0.000 0.280 46 L C -0.374 176.507 176.870 0.019 0.000 1.111 46 L CA 0.398 55.245 54.840 0.013 0.000 0.909 46 L CB -0.329 41.736 42.059 0.011 0.000 1.277 46 L HN 0.560 nan 8.230 nan 0.000 0.433 47 M N 2.667 122.282 119.600 0.025 0.000 2.664 47 M HA 0.985 5.465 4.480 0.000 0.000 0.279 47 M C -1.156 175.174 176.300 0.050 0.000 1.275 47 M CA -0.796 54.527 55.300 0.038 0.000 0.829 47 M CB 2.192 34.821 32.600 0.048 0.000 1.727 47 M HN 0.212 nan 8.290 nan 0.000 0.459 48 A N 0.930 123.790 122.820 0.066 0.000 2.539 48 A HA 0.900 5.220 4.320 0.000 0.000 0.296 48 A C -2.245 175.420 177.584 0.135 0.000 1.073 48 A CA -0.524 51.564 52.037 0.085 0.000 0.700 48 A CB 1.845 20.875 19.000 0.051 0.000 1.296 48 A HN 0.833 nan 8.150 nan 0.000 0.405 49 F N 1.215 121.152 119.950 -0.021 0.000 2.579 49 F HA 0.547 5.075 4.527 0.000 0.000 0.325 49 F C 0.932 176.713 175.800 -0.032 0.000 1.162 49 F CA 0.376 58.352 58.000 -0.041 0.000 0.946 49 F CB 1.863 40.805 39.000 -0.097 0.000 1.211 49 F HN 1.562 nan 8.300 nan 0.000 0.447 50 G N 3.515 112.310 108.800 -0.008 0.000 2.305 50 G HA2 0.069 4.029 3.960 0.000 0.000 0.287 50 G HA3 0.069 4.029 3.960 0.000 0.000 0.287 50 G C 1.166 176.107 174.900 0.068 0.000 1.036 50 G CA 0.886 46.021 45.100 0.058 0.000 0.887 50 G HN 2.227 nan 8.290 nan 0.000 0.505 51 G N -1.796 107.030 108.800 0.044 0.000 2.304 51 G HA2 -0.066 3.894 3.960 0.000 0.000 0.252 51 G HA3 -0.066 3.894 3.960 0.000 0.000 0.252 51 G C 0.772 175.701 174.900 0.048 0.000 1.014 51 G CA 1.382 46.505 45.100 0.038 0.000 0.619 51 G HN 2.190 nan 8.290 nan 0.000 0.525 52 S N 0.338 116.082 115.700 0.073 0.000 2.554 52 S HA 0.596 5.066 4.470 0.000 0.000 0.278 52 S C 1.215 175.853 174.600 0.062 0.000 1.242 52 S CA 0.738 58.973 58.200 0.059 0.000 1.051 52 S CB 1.285 64.517 63.200 0.054 0.000 0.986 52 S HN 1.321 nan 8.310 nan 0.000 0.502 53 S N 2.957 118.679 115.700 0.037 0.000 2.573 53 S HA 0.290 4.760 4.470 0.000 0.000 0.244 53 S C 0.167 174.774 174.600 0.012 0.000 0.984 53 S CA -0.621 57.597 58.200 0.031 0.000 1.001 53 S CB -0.147 63.066 63.200 0.022 0.000 0.788 53 S HN 0.713 nan 8.310 nan 0.000 0.456 54 E N 2.785 122.987 120.200 0.003 0.000 2.408 54 E HA 0.214 4.564 4.350 0.000 0.000 0.259 54 E C -2.516 174.061 176.600 -0.039 0.000 1.110 54 E CA -1.981 54.405 56.400 -0.023 0.000 0.929 54 E CB 0.039 29.717 29.700 -0.037 0.000 0.971 54 E HN 0.174 nan 8.360 nan 0.000 0.438 55 P HA -0.112 nan 4.420 nan 0.000 0.261 55 P C -0.604 176.635 177.300 -0.101 0.000 1.173 55 P CA 0.490 63.552 63.100 -0.062 0.000 0.760 55 P CB 0.224 31.884 31.700 -0.066 0.000 0.783 56 C N 1.530 120.782 119.300 -0.081 0.000 3.321 56 C HA 0.942 5.402 4.460 0.000 0.000 0.329 56 C C -1.162 173.804 174.990 -0.040 0.000 1.394 56 C CA -0.984 57.959 59.018 -0.125 0.000 1.291 56 C CB 1.243 28.923 27.740 -0.099 0.000 1.606 56 C HN 0.646 nan 8.230 nan 0.000 0.463 57 A N 0.848 123.655 122.820 -0.022 0.000 2.486 57 A HA 0.863 5.183 4.320 0.000 0.000 0.300 57 A C -1.544 176.104 177.584 0.106 0.000 1.048 57 A CA -0.520 51.540 52.037 0.040 0.000 0.696 57 A CB 1.127 20.152 19.000 0.041 0.000 1.278 57 A HN 1.139 nan 8.150 nan 0.000 0.405 58 L N 1.646 122.925 121.223 0.093 0.000 2.372 58 L HA 0.544 4.884 4.340 0.000 0.000 0.274 58 L C -0.778 176.104 176.870 0.020 0.000 0.988 58 L CA -0.489 54.424 54.840 0.122 0.000 0.833 58 L CB 1.369 43.501 42.059 0.121 0.000 1.236 58 L HN 0.848 nan 8.230 nan 0.000 0.410 59 C N 0.763 120.070 119.300 0.011 0.000 3.028 59 C HA 0.942 5.402 4.460 0.000 0.000 0.338 59 C C 0.076 175.006 174.990 -0.100 0.000 1.366 59 C CA -0.872 58.065 59.018 -0.136 0.000 1.610 59 C CB 1.890 29.545 27.740 -0.143 0.000 2.063 59 C HN 0.838 nan 8.230 nan 0.000 0.463 60 S N 0.048 115.644 115.700 -0.173 0.000 2.537 60 S HA 0.720 5.190 4.470 0.000 0.000 0.271 60 S C -1.655 172.960 174.600 0.024 0.000 1.148 60 S CA -0.505 57.660 58.200 -0.059 0.000 0.868 60 S CB 1.429 64.662 63.200 0.055 0.000 1.115 60 S HN 0.999 nan 8.310 nan 0.000 0.461 61 L N 2.367 123.607 121.223 0.028 0.000 2.372 61 L HA 0.655 4.995 4.340 0.000 0.000 0.274 61 L C -1.638 175.288 176.870 0.094 0.000 0.988 61 L CA -0.186 54.764 54.840 0.182 0.000 0.833 61 L CB 0.950 43.147 42.059 0.230 0.000 1.236 61 L HN 0.953 nan 8.230 nan 0.000 0.410 62 H N 2.634 121.826 119.070 0.203 0.000 2.488 62 H HA 0.796 5.352 4.556 0.000 0.000 0.322 62 H C -0.551 174.834 175.328 0.095 0.000 1.078 62 H CA -0.221 55.929 56.048 0.170 0.000 1.260 62 H CB 1.731 31.527 29.762 0.057 0.000 1.425 62 H HN 0.608 nan 8.280 nan 0.000 0.471 63 S N 2.336 118.148 115.700 0.186 0.000 2.556 63 S HA 0.450 4.920 4.470 0.000 0.000 0.271 63 S C -0.939 173.685 174.600 0.040 0.000 1.135 63 S CA -0.810 57.430 58.200 0.067 0.000 0.858 63 S CB 0.822 64.051 63.200 0.047 0.000 1.114 63 S HN 0.567 nan 8.310 nan 0.000 0.468 64 I N 4.248 124.785 120.570 -0.054 0.000 2.269 64 I HA 0.489 4.659 4.170 0.000 0.000 0.293 64 I C 1.011 177.095 176.117 -0.054 0.000 1.106 64 I CA 0.308 61.569 61.300 -0.066 0.000 1.248 64 I CB -0.223 37.674 38.000 -0.172 0.000 1.444 64 I HN 1.005 nan 8.210 nan 0.000 0.497 65 G N 5.352 114.149 108.800 -0.005 0.000 2.725 65 G HA2 -0.211 3.749 3.960 0.000 0.000 0.220 65 G HA3 -0.211 3.749 3.960 0.000 0.000 0.220 65 G C 0.279 175.192 174.900 0.021 0.000 1.357 65 G CA -0.580 44.518 45.100 -0.003 0.000 0.866 65 G HN 0.539 nan 8.290 nan 0.000 0.548 66 K N -2.267 118.147 120.400 0.023 0.000 3.341 66 K HA -0.147 4.173 4.320 0.000 0.000 0.305 66 K C 0.369 177.044 176.600 0.126 0.000 1.270 66 K CA 1.670 58.001 56.287 0.074 0.000 0.897 66 K CB -1.494 31.073 32.500 0.112 0.000 1.264 66 K HN 1.002 nan 8.250 nan 0.000 0.468 67 I N 0.158 120.765 120.570 0.061 0.000 2.406 67 I HA 0.703 4.873 4.170 0.000 0.000 0.290 67 I C 0.904 176.995 176.117 -0.044 0.000 0.999 67 I CA -0.177 61.147 61.300 0.041 0.000 1.124 67 I CB 1.539 39.590 38.000 0.085 0.000 1.289 67 I HN 0.225 nan 8.210 nan 0.000 0.441 68 G N 3.008 111.733 108.800 -0.125 0.000 2.451 68 G HA2 0.423 4.383 3.960 0.000 0.000 0.292 68 G HA3 0.423 4.383 3.960 0.000 0.000 0.292 68 G C 0.410 175.203 174.900 -0.178 0.000 1.427 68 G CA -0.089 44.937 45.100 -0.123 0.000 0.792 68 G HN 0.681 nan 8.290 nan 0.000 0.498 69 G N 0.172 108.892 108.800 -0.134 0.000 2.514 69 G HA2 0.110 4.070 3.960 0.000 0.000 0.217 69 G HA3 0.110 4.070 3.960 0.000 0.000 0.217 69 G C 2.073 176.868 174.900 -0.174 0.000 1.198 69 G CA 2.685 47.705 45.100 -0.134 0.000 0.780 69 G HN 1.634 nan 8.290 nan 0.000 0.565 70 A N 0.042 122.762 122.820 -0.166 0.000 1.902 70 A HA -0.074 4.246 4.320 0.000 0.000 0.217 70 A C 2.376 179.788 177.584 -0.287 0.000 1.181 70 A CA 2.098 54.025 52.037 -0.182 0.000 0.623 70 A CB -0.490 18.425 19.000 -0.142 0.000 0.818 70 A HN 0.469 nan 8.150 nan 0.000 0.443 71 Q N -0.294 119.283 119.800 -0.372 0.000 2.050 71 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 71 Q C 1.889 177.288 176.000 -1.002 0.000 0.980 71 Q CA 1.630 57.033 55.803 -0.667 0.000 0.840 71 Q CB -0.203 28.175 28.738 -0.600 0.000 0.898 71 Q HN 0.651 nan 8.270 nan 0.000 0.424 72 N N 0.372 118.629 118.700 -0.738 0.000 2.205 72 N HA -0.137 4.603 4.740 0.000 0.000 0.186 72 N C 1.459 176.690 175.510 -0.465 0.000 1.015 72 N CA 1.102 53.654 53.050 -0.829 0.000 0.862 72 N CB -0.142 37.843 38.487 -0.837 0.000 0.986 72 N HN 0.198 nan 8.380 nan 0.000 0.429 73 R N 0.206 120.520 120.500 -0.309 0.000 2.075 73 R HA 0.077 4.417 4.340 0.000 0.000 0.232 73 R C 2.189 178.418 176.300 -0.118 0.000 1.126 73 R CA 1.128 57.141 56.100 -0.144 0.000 0.963 73 R CB -0.202 30.031 30.300 -0.113 0.000 0.858 73 R HN 0.144 nan 8.270 nan 0.000 0.435 74 S N 0.107 115.675 115.700 -0.220 0.000 2.356 74 S HA -0.144 4.326 4.470 0.000 0.000 0.223 74 S C 1.673 176.265 174.600 -0.014 0.000 1.032 74 S CA 1.204 59.315 58.200 -0.148 0.000 1.005 74 S CB -0.323 62.736 63.200 -0.233 0.000 0.867 74 S HN 0.268 nan 8.310 nan 0.000 0.449 75 Y N 2.344 122.604 120.300 -0.067 0.000 2.114 75 Y HA -0.139 4.411 4.550 0.000 0.000 0.282 75 Y C 2.952 178.894 175.900 0.070 0.000 1.165 75 Y CA 0.597 58.692 58.100 -0.009 0.000 1.148 75 Y CB -1.392 37.081 38.460 0.020 0.000 0.972 75 Y HN 0.187 nan 8.280 nan 0.000 0.504 76 S N -0.339 115.533 115.700 0.286 0.000 2.368 76 S HA -0.206 4.264 4.470 0.000 0.000 0.225 76 S C 2.025 176.707 174.600 0.137 0.000 1.030 76 S CA 1.504 59.852 58.200 0.247 0.000 0.999 76 S CB -0.259 63.086 63.200 0.241 0.000 0.844 76 S HN 0.261 nan 8.310 nan 0.000 0.459 77 K N 1.407 121.860 120.400 0.088 0.000 1.991 77 K HA -0.078 4.242 4.320 0.000 0.000 0.212 77 K C 1.977 178.610 176.600 0.055 0.000 1.049 77 K CA 1.107 57.426 56.287 0.054 0.000 0.932 77 K CB -0.780 31.736 32.500 0.026 0.000 0.717 77 K HN 0.236 nan 8.250 nan 0.000 0.441 78 L N 0.267 121.525 121.223 0.059 0.000 1.955 78 L HA -0.169 4.171 4.340 0.000 0.000 0.213 78 L C 1.875 178.762 176.870 0.027 0.000 1.072 78 L CA 1.746 56.610 54.840 0.040 0.000 0.755 78 L CB -0.878 41.208 42.059 0.043 0.000 0.888 78 L HN 0.185 nan 8.230 nan 0.000 0.432 79 L N -0.420 120.813 121.223 0.017 0.000 2.042 79 L HA -0.271 4.069 4.340 0.000 0.000 0.210 79 L C 2.747 179.669 176.870 0.086 0.000 1.076 79 L CA 1.747 56.584 54.840 -0.004 0.000 0.749 79 L CB -1.986 40.046 42.059 -0.044 0.000 0.893 79 L HN 0.481 nan 8.230 nan 0.000 0.432 80 C N -0.592 118.764 119.300 0.093 0.000 2.440 80 C HA -0.057 4.403 4.460 0.000 0.000 0.278 80 C C 2.848 177.875 174.990 0.062 0.000 1.295 80 C CA 0.573 59.640 59.018 0.082 0.000 1.738 80 C CB -1.519 26.263 27.740 0.070 0.000 1.987 80 C HN 0.684 nan 8.230 nan 0.000 0.492 81 G N 0.182 109.016 108.800 0.056 0.000 2.402 81 G HA2 -0.131 3.829 3.960 0.000 0.000 0.216 81 G HA3 -0.131 3.829 3.960 0.000 0.000 0.216 81 G C 1.585 176.524 174.900 0.064 0.000 1.162 81 G CA 0.479 45.607 45.100 0.046 0.000 0.777 81 G HN 0.509 nan 8.290 nan 0.000 0.539 82 L N -0.154 121.124 121.223 0.092 0.000 2.056 82 L HA 0.029 4.370 4.340 0.000 0.000 0.207 82 L C 2.896 179.882 176.870 0.193 0.000 1.078 82 L CA 0.598 55.533 54.840 0.158 0.000 0.749 82 L CB -0.336 41.830 42.059 0.179 0.000 0.901 82 L HN 0.190 nan 8.230 nan 0.000 0.433 83 L N -0.648 120.682 121.223 0.180 0.000 2.093 83 L HA -0.166 4.174 4.340 0.000 0.000 0.208 83 L C 2.816 179.706 176.870 0.033 0.000 1.085 83 L CA 1.039 55.960 54.840 0.134 0.000 0.755 83 L CB -0.704 41.441 42.059 0.143 0.000 0.904 83 L HN 0.228 nan 8.230 nan 0.000 0.435 84 A N -0.273 122.565 122.820 0.029 0.000 1.897 84 A HA -0.220 4.100 4.320 0.000 0.000 0.215 84 A C 2.276 179.855 177.584 -0.008 0.000 1.181 84 A CA 1.685 53.720 52.037 -0.003 0.000 0.620 84 A CB -0.367 18.632 19.000 -0.001 0.000 0.821 84 A HN 0.444 nan 8.150 nan 0.000 0.443 85 E N -0.848 119.360 120.200 0.012 0.000 2.016 85 E HA -0.156 4.195 4.350 0.000 0.000 0.190 85 E C 2.241 178.831 176.600 -0.017 0.000 0.985 85 E CA 0.643 57.047 56.400 0.007 0.000 0.802 85 E CB -0.038 29.680 29.700 0.030 0.000 0.762 85 E HN 0.276 nan 8.360 nan 0.000 0.448 86 R N -0.127 120.363 120.500 -0.016 0.000 2.115 86 R HA -0.021 4.320 4.340 0.000 0.000 0.226 86 R C 1.789 177.944 176.300 -0.242 0.000 1.100 86 R CA 0.664 56.692 56.100 -0.120 0.000 0.980 86 R CB -0.263 29.965 30.300 -0.119 0.000 0.875 86 R HN 0.243 nan 8.270 nan 0.000 0.445 87 L N -0.212 120.888 121.223 -0.205 0.000 2.766 87 L HA 0.283 4.623 4.340 0.000 0.000 0.242 87 L C 0.277 177.080 176.870 -0.112 0.000 1.136 87 L CA 0.304 55.025 54.840 -0.199 0.000 0.933 87 L CB 0.039 41.973 42.059 -0.207 0.000 1.241 87 L HN 0.098 nan 8.230 nan 0.000 0.522 88 R N -0.162 120.290 120.500 -0.081 0.000 3.651 88 R HA -0.165 4.175 4.340 0.000 0.000 0.292 88 R C -0.243 176.019 176.300 -0.062 0.000 1.161 88 R CA 0.429 56.492 56.100 -0.061 0.000 0.787 88 R CB -2.260 28.005 30.300 -0.059 0.000 1.249 88 R HN 0.228 nan 8.270 nan 0.000 0.476 89 I N 0.571 121.104 120.570 -0.061 0.000 2.321 89 I HA 0.100 4.270 4.170 0.000 0.000 0.291 89 I C 1.003 177.072 176.117 -0.080 0.000 0.998 89 I CA -0.324 60.931 61.300 -0.074 0.000 1.227 89 I CB 1.791 39.752 38.000 -0.064 0.000 1.368 89 I HN 0.010 nan 8.210 nan 0.000 0.466 90 S N 8.569 124.204 115.700 -0.109 0.000 2.525 90 S HA 0.138 4.608 4.470 0.000 0.000 0.285 90 S C -1.011 173.508 174.600 -0.136 0.000 1.283 90 S CA -1.142 56.991 58.200 -0.112 0.000 1.072 90 S CB 0.647 63.769 63.200 -0.130 0.000 0.867 90 S HN 0.446 nan 8.310 nan 0.000 0.492 91 P HA -0.149 nan 4.420 nan 0.000 0.218 91 P C 0.688 177.924 177.300 -0.107 0.000 1.146 91 P CA 1.090 64.151 63.100 -0.066 0.000 0.813 91 P CB -0.135 31.553 31.700 -0.019 0.000 0.778 92 D N -0.814 119.501 120.400 -0.141 0.000 2.349 92 D HA -0.096 4.544 4.640 0.000 0.000 0.224 92 D C 1.115 177.160 176.300 -0.425 0.000 1.029 92 D CA 0.270 54.173 54.000 -0.162 0.000 0.879 92 D CB -0.483 40.263 40.800 -0.091 0.000 0.906 92 D HN 0.191 nan 8.370 nan 0.000 0.528 93 R N -0.024 120.109 120.500 -0.611 0.000 2.700 93 R HA 0.338 4.678 4.340 0.000 0.000 0.399 93 R C -0.935 174.810 176.300 -0.924 0.000 1.115 93 R CA -0.231 55.094 56.100 -1.291 0.000 1.058 93 R CB 1.525 31.306 30.300 -0.864 0.000 1.389 93 R HN -0.030 nan 8.270 nan 0.000 0.582 94 V N 1.170 120.794 119.914 -0.484 0.000 2.638 94 V HA 0.399 4.519 4.120 0.000 0.000 0.306 94 V C -1.160 174.973 176.094 0.065 0.000 1.052 94 V CA -0.877 61.348 62.300 -0.125 0.000 0.885 94 V CB 2.104 33.917 31.823 -0.017 0.000 0.999 94 V HN 0.076 nan 8.190 nan 0.000 0.424 95 Y N 4.365 124.789 120.300 0.206 0.000 2.393 95 Y HA 0.717 5.267 4.550 0.000 0.000 0.341 95 Y C -0.059 175.877 175.900 0.059 0.000 0.988 95 Y CA -1.702 56.492 58.100 0.157 0.000 1.078 95 Y CB 2.026 40.580 38.460 0.156 0.000 1.203 95 Y HN 0.439 nan 8.280 nan 0.000 0.453 96 I N 3.353 124.020 120.570 0.162 0.000 2.468 96 I HA 0.300 4.471 4.170 0.000 0.000 0.285 96 I C -0.866 175.044 176.117 -0.345 0.000 1.039 96 I CA -0.589 60.661 61.300 -0.084 0.000 1.074 96 I CB 1.597 39.525 38.000 -0.120 0.000 1.228 96 I HN 0.523 nan 8.210 nan 0.000 0.436 97 N N 5.283 123.799 118.700 -0.308 0.000 2.434 97 N HA 0.380 5.120 4.740 0.000 0.000 0.272 97 N C -1.403 173.741 175.510 -0.610 0.000 1.040 97 N CA -0.390 52.419 53.050 -0.402 0.000 0.956 97 N CB 0.824 39.190 38.487 -0.201 0.000 1.108 97 N HN 0.387 nan 8.380 nan 0.000 0.481 98 Y N 1.978 122.080 120.300 -0.330 0.000 2.320 98 Y HA 0.321 4.871 4.550 0.000 0.000 0.334 98 Y C -0.662 174.943 175.900 -0.491 0.000 1.055 98 Y CA -0.506 57.453 58.100 -0.235 0.000 1.143 98 Y CB 0.759 39.183 38.460 -0.060 0.000 1.193 98 Y HN 0.436 nan 8.280 nan 0.000 0.477 99 Y N 1.529 121.851 120.300 0.037 0.000 2.329 99 Y HA 0.192 4.742 4.550 0.000 0.000 0.328 99 Y C -0.575 175.375 175.900 0.083 0.000 0.992 99 Y CA -1.406 56.706 58.100 0.020 0.000 1.151 99 Y CB 1.354 39.770 38.460 -0.073 0.000 1.150 99 Y HN 0.514 nan 8.280 nan 0.000 0.450 100 D N 4.585 125.106 120.400 0.201 0.000 2.411 100 D HA 0.191 4.832 4.640 0.000 0.000 0.225 100 D C -0.489 175.900 176.300 0.148 0.000 1.156 100 D CA -0.157 53.928 54.000 0.142 0.000 0.874 100 D CB 0.558 41.410 40.800 0.086 0.000 1.034 100 D HN 0.330 nan 8.370 nan 0.000 0.502 101 M N 2.567 122.255 119.600 0.146 0.000 2.249 101 M HA 0.179 4.659 4.480 0.000 0.000 0.351 101 M C 0.528 176.874 176.300 0.077 0.000 1.180 101 M CA -0.481 54.894 55.300 0.125 0.000 1.127 101 M CB 0.723 33.398 32.600 0.125 0.000 1.546 101 M HN 0.304 nan 8.290 nan 0.000 0.461 102 N N 1.286 120.032 118.700 0.078 0.000 2.472 102 N HA 0.246 4.986 4.740 0.000 0.000 0.277 102 N C 0.605 176.161 175.510 0.076 0.000 1.081 102 N CA 0.178 53.266 53.050 0.063 0.000 0.973 102 N CB 1.463 39.988 38.487 0.062 0.000 1.105 102 N HN 0.722 nan 8.380 nan 0.000 0.470 103 A N 4.080 126.942 122.820 0.071 0.000 1.958 103 A HA -0.193 4.127 4.320 0.000 0.000 0.221 103 A C 1.960 179.646 177.584 0.169 0.000 1.178 103 A CA 2.213 54.323 52.037 0.123 0.000 0.642 103 A CB -0.783 18.284 19.000 0.112 0.000 0.816 103 A HN 0.799 nan 8.150 nan 0.000 0.453 104 A N -0.886 122.003 122.820 0.115 0.000 2.168 104 A HA -0.035 4.285 4.320 0.000 0.000 0.215 104 A C 1.436 179.077 177.584 0.094 0.000 1.152 104 A CA 1.210 53.306 52.037 0.099 0.000 0.716 104 A CB -0.302 18.739 19.000 0.070 0.000 0.794 104 A HN 0.492 nan 8.150 nan 0.000 0.465 105 N N -0.388 118.372 118.700 0.101 0.000 2.235 105 N HA 0.191 4.931 4.740 0.000 0.000 0.209 105 N C -0.852 174.721 175.510 0.105 0.000 1.122 105 N CA 0.310 53.412 53.050 0.087 0.000 0.845 105 N CB 1.070 39.601 38.487 0.074 0.000 1.004 105 N HN 0.138 nan 8.380 nan 0.000 0.499 106 V N 0.228 120.243 119.914 0.168 0.000 2.443 106 V HA 0.605 4.725 4.120 0.000 0.000 0.293 106 V C 0.502 176.753 176.094 0.262 0.000 1.021 106 V CA -1.096 61.344 62.300 0.233 0.000 0.848 106 V CB 1.492 33.508 31.823 0.322 0.000 0.998 106 V HN 0.093 nan 8.190 nan 0.000 0.424 107 G N 3.208 112.113 108.800 0.176 0.000 2.367 107 G HA2 0.590 4.550 3.960 0.000 0.000 0.314 107 G HA3 0.590 4.550 3.960 0.000 0.000 0.314 107 G C -1.580 173.430 174.900 0.184 0.000 1.130 107 G CA -0.445 44.724 45.100 0.114 0.000 0.864 107 G HN 0.828 nan 8.290 nan 0.000 0.486 108 W N 2.482 123.678 121.300 -0.173 0.000 3.707 108 W HA 0.410 5.070 4.660 0.000 0.000 0.294 108 W C -0.120 176.273 176.519 -0.209 0.000 1.248 108 W CA -0.849 56.383 57.345 -0.187 0.000 1.217 108 W CB 0.644 29.919 29.460 -0.310 0.000 1.306 108 W HN 0.800 nan 8.180 nan 0.000 0.532 109 N N 4.867 122.982 118.700 -0.976 0.000 2.688 109 N HA -0.328 4.412 4.740 0.000 0.000 0.258 109 N C 0.132 175.329 175.510 -0.522 0.000 1.016 109 N CA 1.530 53.980 53.050 -1.001 0.000 0.747 109 N CB -0.876 36.499 38.487 -1.852 0.000 0.895 109 N HN 0.872 nan 8.380 nan 0.000 0.543 110 N N -1.387 117.122 118.700 -0.319 0.000 2.753 110 N HA -0.220 4.520 4.740 0.000 0.000 0.251 110 N C -0.517 174.903 175.510 -0.150 0.000 1.097 110 N CA 1.377 54.309 53.050 -0.196 0.000 0.786 110 N CB -0.874 37.506 38.487 -0.178 0.000 1.137 110 N HN 0.542 nan 8.380 nan 0.000 0.566 111 S N -2.599 113.009 115.700 -0.154 0.000 3.003 111 S HA 0.733 5.203 4.470 0.000 0.000 0.313 111 S C -0.911 173.648 174.600 -0.069 0.000 1.230 111 S CA -0.013 58.131 58.200 -0.094 0.000 0.977 111 S CB 0.911 64.057 63.200 -0.090 0.000 1.340 111 S HN 0.327 nan 8.310 nan 0.000 0.608 112 T N -0.964 113.565 114.554 -0.041 0.000 2.858 112 T HA 0.672 5.022 4.350 0.000 0.000 0.285 112 T C -0.234 174.445 174.700 -0.034 0.000 1.052 112 T CA -0.406 61.693 62.100 -0.002 0.000 1.009 112 T CB 0.628 69.536 68.868 0.066 0.000 1.241 112 T HN 0.311 nan 8.240 nan 0.000 0.542 113 F N 0.987 121.016 119.950 0.132 0.000 2.797 113 F HA 0.527 5.054 4.527 0.000 0.000 0.302 113 F C 1.885 177.723 175.800 0.064 0.000 1.130 113 F CA -0.199 57.863 58.000 0.104 0.000 1.387 113 F CB -0.643 38.383 39.000 0.042 0.000 1.107 113 F HN 0.833 nan 8.300 nan 0.000 0.577 114 A N 0.000 122.935 122.820 0.192 0.000 2.254 114 A HA 0.000 4.320 4.320 0.000 0.000 0.244 114 A CA 0.000 52.112 52.037 0.126 0.000 0.836 114 A CB 0.000 19.053 19.000 0.088 0.000 0.831 114 A HN 0.000 nan 8.150 nan 0.000 0.486