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 1p1g_1_B DATA FIRST_RESID 1 DATA SEQUENCE GMFIVNTNVP 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 1 G C 0.000 174.950 174.900 0.083 0.000 0.946 1 G CA 0.000 45.124 45.100 0.040 0.000 0.502 2 M N 2.460 122.148 119.600 0.147 0.000 2.165 2 M HA 0.655 5.136 4.480 0.001 0.000 0.283 2 M C -2.074 174.393 176.300 0.279 0.000 0.978 2 M CA -0.896 54.509 55.300 0.174 0.000 0.948 2 M CB 1.622 34.296 32.600 0.124 0.000 1.599 2 M HN 0.454 nan 8.290 nan 0.000 0.450 3 F N 6.796 126.787 119.950 0.068 0.000 2.444 3 F HA 0.666 5.194 4.527 0.001 0.000 0.342 3 F C -1.313 174.531 175.800 0.073 0.000 1.121 3 F CA -0.886 57.145 58.000 0.053 0.000 0.997 3 F CB 0.905 39.896 39.000 -0.014 0.000 1.130 3 F HN 0.365 nan 8.300 nan 0.000 0.454 4 I N 6.842 127.059 120.570 -0.588 0.000 2.530 4 I HA 0.508 4.679 4.170 0.001 0.000 0.297 4 I C -0.947 174.689 176.117 -0.802 0.000 1.011 4 I CA -1.059 59.945 61.300 -0.492 0.000 1.107 4 I CB 1.486 39.357 38.000 -0.216 0.000 1.285 4 I HN 0.245 nan 8.210 nan 0.000 0.436 5 V N 4.989 124.581 119.914 -0.536 0.000 2.482 5 V HA 0.412 4.532 4.120 0.001 0.000 0.295 5 V C -0.507 175.466 176.094 -0.202 0.000 1.026 5 V CA -0.728 61.364 62.300 -0.346 0.000 0.856 5 V CB 1.732 33.475 31.823 -0.133 0.000 1.001 5 V HN 0.709 nan 8.190 nan 0.000 0.424 6 N N 1.980 120.598 118.700 -0.136 0.000 2.400 6 N HA 0.757 5.497 4.740 0.001 0.000 0.288 6 N C -0.534 174.956 175.510 -0.033 0.000 1.024 6 N CA -0.327 52.669 53.050 -0.090 0.000 0.894 6 N CB 2.134 40.578 38.487 -0.072 0.000 1.173 6 N HN 0.754 nan 8.380 nan 0.000 0.487 7 T N -0.064 114.477 114.554 -0.022 0.000 2.889 7 T HA 0.248 4.598 4.350 0.001 0.000 0.315 7 T C -0.041 174.655 174.700 -0.008 0.000 1.291 7 T CA -0.770 61.326 62.100 -0.007 0.000 1.028 7 T CB 0.684 69.550 68.868 -0.003 0.000 1.235 7 T HN 0.604 nan 8.240 nan 0.000 0.491 8 N N 1.871 120.567 118.700 -0.006 0.000 2.463 8 N HA 0.027 4.768 4.740 0.001 0.000 0.181 8 N C 0.603 176.105 175.510 -0.013 0.000 1.078 8 N CA 0.167 53.214 53.050 -0.006 0.000 0.902 8 N CB -0.549 37.938 38.487 -0.000 0.000 0.970 8 N HN 0.340 nan 8.380 nan 0.000 0.451 9 V N 2.639 122.540 119.914 -0.022 0.000 2.617 9 V HA 0.051 4.172 4.120 0.001 0.000 0.304 9 V C -1.922 174.158 176.094 -0.024 0.000 1.040 9 V CA -0.821 61.460 62.300 -0.032 0.000 1.149 9 V CB 0.153 31.945 31.823 -0.051 0.000 0.914 9 V HN 0.161 nan 8.190 nan 0.000 0.487 10 P HA 0.103 nan 4.420 nan 0.000 0.269 10 P C 0.767 178.058 177.300 -0.015 0.000 1.215 10 P CA -0.350 62.740 63.100 -0.015 0.000 0.780 10 P CB 0.444 32.135 31.700 -0.016 0.000 0.898 11 R N 3.083 123.581 120.500 -0.003 0.000 2.103 11 R HA -0.196 4.145 4.340 0.001 0.000 0.242 11 R C 1.799 178.099 176.300 -0.001 0.000 1.142 11 R CA 2.381 58.485 56.100 0.006 0.000 0.960 11 R CB -1.437 28.872 30.300 0.015 0.000 0.858 11 R HN 0.564 nan 8.270 nan 0.000 0.439 12 A N -0.295 122.522 122.820 -0.006 0.000 2.076 12 A HA -0.079 4.242 4.320 0.001 0.000 0.220 12 A C 2.017 179.587 177.584 -0.024 0.000 1.160 12 A CA 1.712 53.743 52.037 -0.010 0.000 0.653 12 A CB -0.248 18.747 19.000 -0.008 0.000 0.801 12 A HN 0.385 nan 8.150 nan 0.000 0.455 13 S N -0.754 114.924 115.700 -0.038 0.000 2.593 13 S HA 0.166 4.636 4.470 0.001 0.000 0.217 13 S C 0.338 174.874 174.600 -0.106 0.000 0.966 13 S CA -0.113 58.048 58.200 -0.064 0.000 0.914 13 S CB 0.083 63.243 63.200 -0.067 0.000 0.776 13 S HN 0.217 nan 8.310 nan 0.000 0.523 14 V N 5.567 125.431 119.914 -0.083 0.000 2.389 14 V HA 0.217 4.338 4.120 0.001 0.000 0.264 14 V C -1.976 174.079 176.094 -0.065 0.000 1.049 14 V CA -2.050 60.179 62.300 -0.118 0.000 0.932 14 V CB 0.213 32.032 31.823 -0.007 0.000 1.011 14 V HN 0.215 nan 8.190 nan 0.000 0.475 15 P HA 0.087 nan 4.420 nan 0.000 0.268 15 P C -0.357 176.988 177.300 0.075 0.000 1.205 15 P CA -0.213 62.876 63.100 -0.018 0.000 0.771 15 P CB 0.748 32.426 31.700 -0.037 0.000 0.858 16 D N 1.001 121.438 120.400 0.063 0.000 2.455 16 D HA 0.297 4.938 4.640 0.001 0.000 0.241 16 D C 1.548 177.910 176.300 0.104 0.000 1.138 16 D CA 2.002 56.049 54.000 0.079 0.000 0.877 16 D CB -0.098 40.733 40.800 0.051 0.000 1.187 16 D HN 0.678 nan 8.370 nan 0.000 0.451 17 G N 2.561 111.430 108.800 0.116 0.000 2.195 17 G HA2 -0.367 3.594 3.960 0.001 0.000 0.246 17 G HA3 -0.367 3.594 3.960 0.001 0.000 0.246 17 G C 0.931 175.928 174.900 0.162 0.000 0.984 17 G CA 0.236 45.403 45.100 0.110 0.000 0.633 17 G HN 0.522 nan 8.290 nan 0.000 0.525 18 F N 1.591 121.562 119.950 0.035 0.000 2.120 18 F HA 0.011 4.538 4.527 0.001 0.000 0.300 18 F C 2.473 178.308 175.800 0.058 0.000 1.095 18 F CA 2.070 60.097 58.000 0.044 0.000 1.249 18 F CB -0.269 38.761 39.000 0.049 0.000 0.995 18 F HN 0.174 nan 8.300 nan 0.000 0.480 19 L N -0.898 120.329 121.223 0.005 0.000 2.083 19 L HA -0.206 4.134 4.340 0.001 0.000 0.209 19 L C 2.477 179.305 176.870 -0.070 0.000 1.083 19 L CA 1.746 56.541 54.840 -0.075 0.000 0.752 19 L CB -1.644 40.431 42.059 0.025 0.000 0.899 19 L HN 0.160 nan 8.230 nan 0.000 0.433 20 S N -0.417 115.273 115.700 -0.018 0.000 2.355 20 S HA -0.213 4.257 4.470 0.001 0.000 0.222 20 S C 1.874 176.453 174.600 -0.035 0.000 1.031 20 S CA 1.359 59.551 58.200 -0.013 0.000 0.993 20 S CB -0.064 63.144 63.200 0.014 0.000 0.859 20 S HN 0.438 nan 8.310 nan 0.000 0.453 21 E N 1.016 121.196 120.200 -0.033 0.000 2.077 21 E HA -0.136 4.215 4.350 0.001 0.000 0.193 21 E C 1.987 178.522 176.600 -0.108 0.000 0.989 21 E CA 0.934 57.311 56.400 -0.038 0.000 0.800 21 E CB -0.185 29.531 29.700 0.027 0.000 0.746 21 E HN 0.407 nan 8.360 nan 0.000 0.452 22 L N 0.415 121.508 121.223 -0.216 0.000 2.017 22 L HA -0.185 4.155 4.340 0.001 0.000 0.208 22 L C 2.673 179.453 176.870 -0.151 0.000 1.073 22 L CA 1.714 56.405 54.840 -0.249 0.000 0.745 22 L CB -0.608 41.248 42.059 -0.338 0.000 0.894 22 L HN 0.244 nan 8.230 nan 0.000 0.432 23 T N -1.228 113.267 114.554 -0.099 0.000 2.720 23 T HA -0.210 4.141 4.350 0.001 0.000 0.268 23 T C 1.920 176.581 174.700 -0.065 0.000 1.037 23 T CA 1.113 63.177 62.100 -0.060 0.000 1.144 23 T CB -0.136 68.713 68.868 -0.033 0.000 0.864 23 T HN 0.279 nan 8.240 nan 0.000 0.444 24 Q N 0.906 120.670 119.800 -0.061 0.000 2.046 24 Q HA -0.008 4.333 4.340 0.001 0.000 0.200 24 Q C 2.617 178.582 176.000 -0.058 0.000 0.975 24 Q CA 1.191 56.963 55.803 -0.051 0.000 0.836 24 Q CB -0.429 28.288 28.738 -0.036 0.000 0.896 24 Q HN 0.554 nan 8.270 nan 0.000 0.428 25 Q N 0.233 119.990 119.800 -0.071 0.000 2.119 25 Q HA -0.039 4.301 4.340 0.001 0.000 0.201 25 Q C 2.339 178.284 176.000 -0.091 0.000 0.972 25 Q CA 0.813 56.574 55.803 -0.071 0.000 0.847 25 Q CB -0.123 28.568 28.738 -0.079 0.000 0.903 25 Q HN 0.356 nan 8.270 nan 0.000 0.433 26 L N 0.118 121.261 121.223 -0.133 0.000 2.156 26 L HA -0.113 4.227 4.340 0.001 0.000 0.208 26 L C 2.466 179.274 176.870 -0.105 0.000 1.095 26 L CA 0.833 55.575 54.840 -0.164 0.000 0.770 26 L CB -0.511 41.424 42.059 -0.207 0.000 0.914 26 L HN 0.115 nan 8.230 nan 0.000 0.439 27 A N -0.338 122.435 122.820 -0.078 0.000 1.877 27 A HA -0.259 4.062 4.320 0.001 0.000 0.216 27 A C 2.216 179.773 177.584 -0.046 0.000 1.186 27 A CA 1.621 53.621 52.037 -0.062 0.000 0.620 27 A CB -0.487 18.472 19.000 -0.067 0.000 0.822 27 A HN 0.457 nan 8.150 nan 0.000 0.443 28 Q N -0.657 119.119 119.800 -0.039 0.000 2.030 28 Q HA -0.147 4.193 4.340 0.001 0.000 0.204 28 Q C 2.479 178.481 176.000 0.004 0.000 0.986 28 Q CA 1.510 57.301 55.803 -0.021 0.000 0.843 28 Q CB -0.454 28.273 28.738 -0.019 0.000 0.904 28 Q HN 0.667 nan 8.270 nan 0.000 0.420 29 A N 1.037 123.866 122.820 0.016 0.000 1.940 29 A HA -0.205 4.116 4.320 0.001 0.000 0.219 29 A C 2.250 179.932 177.584 0.164 0.000 1.176 29 A CA 2.139 54.234 52.037 0.097 0.000 0.631 29 A CB -0.855 18.212 19.000 0.111 0.000 0.814 29 A HN 0.566 nan 8.150 nan 0.000 0.446 30 T N -4.773 109.822 114.554 0.069 0.000 3.044 30 T HA 0.403 4.754 4.350 0.001 0.000 0.250 30 T C 1.324 176.054 174.700 0.050 0.000 1.081 30 T CA 1.055 63.207 62.100 0.086 0.000 1.040 30 T CB 0.013 68.879 68.868 -0.005 0.000 0.962 30 T HN 1.780 nan 8.240 nan 0.000 0.506 31 G N 1.681 110.492 108.800 0.019 0.000 2.225 31 G HA2 -0.217 3.743 3.960 0.001 0.000 0.264 31 G HA3 -0.217 3.743 3.960 0.001 0.000 0.264 31 G C -0.267 174.626 174.900 -0.013 0.000 1.060 31 G CA 0.106 45.206 45.100 0.000 0.000 0.833 31 G HN 0.685 nan 8.290 nan 0.000 0.498 32 K N -0.176 120.208 120.400 -0.027 0.000 2.328 32 K HA 0.538 4.858 4.320 0.001 0.000 0.246 32 K C -2.724 173.782 176.600 -0.156 0.000 0.955 32 K CA -2.298 53.963 56.287 -0.043 0.000 0.817 32 K CB 2.194 34.720 32.500 0.043 0.000 1.208 32 K HN -0.069 nan 8.250 nan 0.000 0.432 33 P HA 0.038 nan 4.420 nan 0.000 0.268 33 P C -2.160 174.951 177.300 -0.314 0.000 1.205 33 P CA -1.020 61.829 63.100 -0.417 0.000 0.771 33 P CB 0.272 31.505 31.700 -0.779 0.000 0.858 34 P HA -0.182 nan 4.420 nan 0.000 0.219 34 P C 1.451 178.704 177.300 -0.078 0.000 1.146 34 P CA 1.320 64.358 63.100 -0.104 0.000 0.808 34 P CB -0.091 31.564 31.700 -0.076 0.000 0.779 35 Q N -1.975 117.750 119.800 -0.126 0.000 2.364 35 Q HA -0.133 4.207 4.340 0.001 0.000 0.207 35 Q C 1.179 177.246 176.000 0.111 0.000 0.970 35 Q CA 1.179 56.968 55.803 -0.025 0.000 0.888 35 Q CB -0.292 28.428 28.738 -0.030 0.000 0.951 35 Q HN 0.412 nan 8.270 nan 0.000 0.469 36 Y N -0.633 119.625 120.300 -0.070 0.000 2.500 36 Y HA 0.094 4.644 4.550 0.001 0.000 0.270 36 Y C 0.921 176.775 175.900 -0.078 0.000 1.134 36 Y CA -0.747 57.283 58.100 -0.117 0.000 1.293 36 Y CB 0.410 38.768 38.460 -0.171 0.000 1.063 36 Y HN -0.083 nan 8.280 nan 0.000 0.534 37 I N 1.109 121.737 120.570 0.097 0.000 2.371 37 I HA 0.353 4.524 4.170 0.001 0.000 0.290 37 I C 0.383 176.537 176.117 0.061 0.000 1.028 37 I CA -0.679 60.656 61.300 0.057 0.000 1.345 37 I CB 0.352 38.361 38.000 0.014 0.000 1.407 37 I HN -0.073 nan 8.210 nan 0.000 0.501 38 A N 6.988 129.852 122.820 0.074 0.000 2.342 38 A HA 0.795 5.116 4.320 0.001 0.000 0.323 38 A C -0.698 176.947 177.584 0.101 0.000 1.125 38 A CA -0.486 51.597 52.037 0.076 0.000 0.785 38 A CB 1.623 20.666 19.000 0.072 0.000 1.221 38 A HN 0.440 nan 8.150 nan 0.000 0.463 39 V N 2.250 122.220 119.914 0.094 0.000 2.735 39 V HA 0.504 4.624 4.120 0.001 0.000 0.310 39 V C -0.614 175.570 176.094 0.149 0.000 1.061 39 V CA -0.454 61.925 62.300 0.132 0.000 0.913 39 V CB 1.976 33.856 31.823 0.095 0.000 1.005 39 V HN 1.011 nan 8.190 nan 0.000 0.428 40 H N 2.385 121.455 119.070 -0.000 0.000 2.934 40 H HA 0.718 5.275 4.556 0.001 0.000 0.340 40 H C -1.934 173.374 175.328 -0.033 0.000 1.008 40 H CA -0.563 55.474 56.048 -0.017 0.000 1.317 40 H CB 2.105 31.847 29.762 -0.033 0.000 1.670 40 H HN 0.459 nan 8.280 nan 0.000 0.516 41 V N 6.275 126.291 119.914 0.169 0.000 2.409 41 V HA 0.228 4.348 4.120 0.001 0.000 0.291 41 V C -0.397 175.696 176.094 -0.000 0.000 1.020 41 V CA -0.733 61.601 62.300 0.056 0.000 0.848 41 V CB 1.541 33.483 31.823 0.199 0.000 0.990 41 V HN 0.519 nan 8.190 nan 0.000 0.430 42 V N 7.540 127.381 119.914 -0.123 0.000 2.284 42 V HA 0.401 4.521 4.120 0.001 0.000 0.274 42 V C -2.074 173.999 176.094 -0.035 0.000 1.023 42 V CA -1.318 60.925 62.300 -0.095 0.000 0.808 42 V CB 1.299 33.004 31.823 -0.196 0.000 1.035 42 V HN 0.703 nan 8.190 nan 0.000 0.445 43 P HA 0.385 nan 4.420 nan 0.000 0.287 43 P C -0.284 177.017 177.300 0.002 0.000 1.296 43 P CA -0.148 62.954 63.100 0.004 0.000 0.811 43 P CB 0.939 32.648 31.700 0.015 0.000 1.211 44 D N -2.520 117.879 120.400 -0.001 0.000 2.911 44 D HA -0.115 4.526 4.640 0.001 0.000 0.227 44 D C -0.088 176.213 176.300 0.001 0.000 1.164 44 D CA 1.041 55.041 54.000 0.000 0.000 0.782 44 D CB -0.731 40.072 40.800 0.004 0.000 1.094 44 D HN 0.383 nan 8.370 nan 0.000 0.425 45 Q N -0.023 119.775 119.800 -0.002 0.000 2.306 45 Q HA 0.376 4.717 4.340 0.001 0.000 0.241 45 Q C 0.739 176.741 176.000 0.004 0.000 0.948 45 Q CA -0.360 55.443 55.803 -0.000 0.000 0.886 45 Q CB 1.173 29.909 28.738 -0.005 0.000 1.227 45 Q HN 0.364 nan 8.270 nan 0.000 0.457 46 L N 3.671 124.898 121.223 0.006 0.000 2.312 46 L HA 0.279 4.620 4.340 0.001 0.000 0.287 46 L C -0.435 176.443 176.870 0.013 0.000 1.091 46 L CA 0.239 55.084 54.840 0.008 0.000 0.846 46 L CB -0.015 42.048 42.059 0.007 0.000 1.219 46 L HN 0.488 nan 8.230 nan 0.000 0.439 47 M N 3.461 123.072 119.600 0.018 0.000 2.667 47 M HA 0.768 5.248 4.480 0.001 0.000 0.286 47 M C -0.981 175.342 176.300 0.038 0.000 1.270 47 M CA -0.688 54.630 55.300 0.030 0.000 0.826 47 M CB 2.477 35.102 32.600 0.041 0.000 1.743 47 M HN 0.435 nan 8.290 nan 0.000 0.460 48 A N 1.244 124.094 122.820 0.050 0.000 2.517 48 A HA 0.807 5.128 4.320 0.001 0.000 0.297 48 A C -2.274 175.361 177.584 0.086 0.000 1.050 48 A CA -0.445 51.628 52.037 0.060 0.000 0.694 48 A CB 1.354 20.371 19.000 0.029 0.000 1.277 48 A HN 0.709 nan 8.150 nan 0.000 0.400 49 F N 2.133 122.055 119.950 -0.047 0.000 2.499 49 F HA 0.554 5.082 4.527 0.001 0.000 0.333 49 F C 1.065 176.831 175.800 -0.057 0.000 1.138 49 F CA 0.512 58.464 58.000 -0.080 0.000 0.945 49 F CB 1.867 40.783 39.000 -0.140 0.000 1.181 49 F HN 1.563 nan 8.300 nan 0.000 0.435 50 G N 3.157 111.915 108.800 -0.071 0.000 2.168 50 G HA2 -0.027 3.933 3.960 0.001 0.000 0.257 50 G HA3 -0.027 3.933 3.960 0.001 0.000 0.257 50 G C 1.104 176.024 174.900 0.034 0.000 0.997 50 G CA 0.596 45.708 45.100 0.019 0.000 0.708 50 G HN 2.179 nan 8.290 nan 0.000 0.520 51 G N -1.957 106.855 108.800 0.020 0.000 2.176 51 G HA2 0.049 4.010 3.960 0.001 0.000 0.253 51 G HA3 0.049 4.010 3.960 0.001 0.000 0.253 51 G C 0.464 175.384 174.900 0.035 0.000 0.979 51 G CA 1.377 46.489 45.100 0.021 0.000 0.641 51 G HN 2.139 nan 8.290 nan 0.000 0.530 52 S N -0.824 114.912 115.700 0.059 0.000 2.549 52 S HA 0.712 5.182 4.470 0.001 0.000 0.297 52 S C 1.140 175.770 174.600 0.051 0.000 1.115 52 S CA 0.574 58.804 58.200 0.050 0.000 1.059 52 S CB 1.757 64.989 63.200 0.053 0.000 1.046 52 S HN 0.439 nan 8.310 nan 0.000 0.506 53 S N 2.219 117.937 115.700 0.029 0.000 2.577 53 S HA 0.201 4.672 4.470 0.001 0.000 0.219 53 S C 0.172 174.777 174.600 0.008 0.000 0.962 53 S CA -0.323 57.890 58.200 0.022 0.000 0.921 53 S CB -0.063 63.145 63.200 0.013 0.000 0.789 53 S HN 0.653 nan 8.310 nan 0.000 0.497 54 E N 2.653 122.854 120.200 0.003 0.000 2.422 54 E HA 0.139 4.489 4.350 0.001 0.000 0.260 54 E C -2.543 174.036 176.600 -0.034 0.000 1.108 54 E CA -2.198 54.190 56.400 -0.019 0.000 0.943 54 E CB -0.318 29.366 29.700 -0.028 0.000 0.961 54 E HN 0.049 nan 8.360 nan 0.000 0.443 55 P HA -0.075 nan 4.420 nan 0.000 0.261 55 P C -0.523 176.716 177.300 -0.101 0.000 1.183 55 P CA 0.380 63.444 63.100 -0.061 0.000 0.761 55 P CB 0.257 31.919 31.700 -0.063 0.000 0.785 56 C N 1.601 120.849 119.300 -0.087 0.000 3.323 56 C HA 0.968 5.429 4.460 0.001 0.000 0.324 56 C C -1.000 173.952 174.990 -0.064 0.000 1.428 56 C CA -1.057 57.875 59.018 -0.144 0.000 1.368 56 C CB 1.241 28.924 27.740 -0.096 0.000 1.731 56 C HN 0.645 nan 8.230 nan 0.000 0.455 57 A N 0.554 123.342 122.820 -0.054 0.000 2.574 57 A HA 0.820 5.141 4.320 0.001 0.000 0.297 57 A C -1.688 175.939 177.584 0.073 0.000 1.062 57 A CA -0.433 51.611 52.037 0.013 0.000 0.686 57 A CB 1.046 20.058 19.000 0.020 0.000 1.285 57 A HN 1.086 nan 8.150 nan 0.000 0.403 58 L N 1.462 122.729 121.223 0.073 0.000 2.343 58 L HA 0.570 4.910 4.340 0.001 0.000 0.278 58 L C -0.820 176.061 176.870 0.017 0.000 0.996 58 L CA -0.485 54.421 54.840 0.110 0.000 0.831 58 L CB 1.525 43.651 42.059 0.112 0.000 1.232 58 L HN 0.846 nan 8.230 nan 0.000 0.413 59 C N 0.931 120.240 119.300 0.014 0.000 3.108 59 C HA 0.907 5.367 4.460 0.001 0.000 0.321 59 C C 0.013 174.952 174.990 -0.086 0.000 1.357 59 C CA -0.816 58.129 59.018 -0.122 0.000 1.562 59 C CB 2.018 29.697 27.740 -0.102 0.000 2.003 59 C HN 0.842 nan 8.230 nan 0.000 0.460 60 S N 0.243 115.859 115.700 -0.141 0.000 2.533 60 S HA 0.750 5.220 4.470 0.001 0.000 0.271 60 S C -1.616 173.036 174.600 0.086 0.000 1.143 60 S CA -0.531 57.660 58.200 -0.015 0.000 0.891 60 S CB 1.430 64.742 63.200 0.188 0.000 1.105 60 S HN 0.889 nan 8.310 nan 0.000 0.468 61 L N 2.382 123.646 121.223 0.068 0.000 2.376 61 L HA 0.687 5.028 4.340 0.001 0.000 0.275 61 L C -1.619 175.358 176.870 0.179 0.000 0.987 61 L CA -0.122 54.862 54.840 0.240 0.000 0.828 61 L CB 1.240 43.445 42.059 0.242 0.000 1.249 61 L HN 0.965 nan 8.230 nan 0.000 0.409 62 H N 2.608 121.826 119.070 0.246 0.000 2.466 62 H HA 0.815 5.372 4.556 0.001 0.000 0.338 62 H C -0.781 174.629 175.328 0.136 0.000 1.091 62 H CA -0.331 55.853 56.048 0.227 0.000 1.207 62 H CB 1.876 31.717 29.762 0.132 0.000 1.466 62 H HN 0.575 nan 8.280 nan 0.000 0.493 63 S N 2.477 118.313 115.700 0.227 0.000 2.543 63 S HA 0.339 4.810 4.470 0.001 0.000 0.273 63 S C -0.923 173.725 174.600 0.080 0.000 1.152 63 S CA -0.761 57.509 58.200 0.116 0.000 0.910 63 S CB 0.627 63.881 63.200 0.090 0.000 1.105 63 S HN 0.568 nan 8.310 nan 0.000 0.465 64 I N 4.817 125.387 120.570 0.001 0.000 2.372 64 I HA 0.415 4.586 4.170 0.001 0.000 0.298 64 I C 1.203 177.313 176.117 -0.011 0.000 1.137 64 I CA 0.828 62.115 61.300 -0.021 0.000 1.314 64 I CB -0.639 37.285 38.000 -0.126 0.000 1.444 64 I HN 1.005 nan 8.210 nan 0.000 0.541 65 G N 5.799 114.615 108.800 0.027 0.000 2.782 65 G HA2 -0.241 3.720 3.960 0.001 0.000 0.228 65 G HA3 -0.241 3.720 3.960 0.001 0.000 0.228 65 G C 0.376 175.307 174.900 0.052 0.000 1.372 65 G CA -0.484 44.633 45.100 0.028 0.000 0.862 65 G HN 0.590 nan 8.290 nan 0.000 0.547 66 K N -2.386 118.046 120.400 0.054 0.000 3.407 66 K HA -0.165 4.156 4.320 0.001 0.000 0.312 66 K C 0.495 177.189 176.600 0.157 0.000 1.302 66 K CA 1.744 58.090 56.287 0.099 0.000 0.931 66 K CB -1.599 30.973 32.500 0.120 0.000 1.257 66 K HN 0.914 nan 8.250 nan 0.000 0.454 67 I N 0.415 121.043 120.570 0.096 0.000 2.433 67 I HA 0.669 4.840 4.170 0.001 0.000 0.292 67 I C 0.936 177.042 176.117 -0.019 0.000 1.001 67 I CA -0.150 61.196 61.300 0.077 0.000 1.119 67 I CB 1.653 39.713 38.000 0.100 0.000 1.289 67 I HN 0.228 nan 8.210 nan 0.000 0.438 68 G N 2.940 111.678 108.800 -0.104 0.000 2.451 68 G HA2 0.424 4.384 3.960 0.001 0.000 0.292 68 G HA3 0.424 4.384 3.960 0.001 0.000 0.292 68 G C 0.413 175.209 174.900 -0.173 0.000 1.427 68 G CA -0.093 44.939 45.100 -0.113 0.000 0.792 68 G HN 0.694 nan 8.290 nan 0.000 0.498 69 G N 0.226 108.947 108.800 -0.131 0.000 2.586 69 G HA2 0.091 4.051 3.960 0.001 0.000 0.218 69 G HA3 0.091 4.051 3.960 0.001 0.000 0.218 69 G C 2.050 176.844 174.900 -0.176 0.000 1.216 69 G CA 2.680 47.700 45.100 -0.134 0.000 0.786 69 G HN 1.637 nan 8.290 nan 0.000 0.583 70 A N -0.115 122.604 122.820 -0.168 0.000 1.930 70 A HA -0.016 4.305 4.320 0.001 0.000 0.217 70 A C 2.370 179.779 177.584 -0.292 0.000 1.175 70 A CA 1.945 53.871 52.037 -0.185 0.000 0.627 70 A CB -0.411 18.505 19.000 -0.141 0.000 0.815 70 A HN 0.494 nan 8.150 nan 0.000 0.443 71 Q N -0.263 119.313 119.800 -0.374 0.000 2.050 71 Q HA -0.183 4.158 4.340 0.001 0.000 0.202 71 Q C 1.833 177.219 176.000 -1.025 0.000 0.980 71 Q CA 1.570 56.969 55.803 -0.673 0.000 0.840 71 Q CB -0.240 28.145 28.738 -0.588 0.000 0.898 71 Q HN 0.626 nan 8.270 nan 0.000 0.424 72 N N 0.450 118.708 118.700 -0.737 0.000 2.166 72 N HA -0.152 4.588 4.740 0.001 0.000 0.186 72 N C 1.478 176.708 175.510 -0.467 0.000 1.019 72 N CA 0.992 53.558 53.050 -0.807 0.000 0.856 72 N CB -0.212 37.805 38.487 -0.783 0.000 0.993 72 N HN 0.166 nan 8.380 nan 0.000 0.426 73 R N 0.523 120.832 120.500 -0.318 0.000 2.081 73 R HA -0.064 4.276 4.340 0.001 0.000 0.235 73 R C 2.073 178.295 176.300 -0.130 0.000 1.131 73 R CA 1.632 57.636 56.100 -0.160 0.000 0.960 73 R CB -0.058 30.166 30.300 -0.126 0.000 0.856 73 R HN 0.385 nan 8.270 nan 0.000 0.436 74 S N -0.869 114.698 115.700 -0.221 0.000 2.436 74 S HA -0.078 4.393 4.470 0.001 0.000 0.228 74 S C 1.680 176.269 174.600 -0.019 0.000 1.014 74 S CA 0.343 58.462 58.200 -0.135 0.000 0.950 74 S CB -0.332 62.773 63.200 -0.157 0.000 0.784 74 S HN 0.276 nan 8.310 nan 0.000 0.504 75 Y N 2.928 123.188 120.300 -0.066 0.000 2.181 75 Y HA 0.027 4.578 4.550 0.001 0.000 0.288 75 Y C 3.043 178.986 175.900 0.072 0.000 1.146 75 Y CA 0.298 58.393 58.100 -0.009 0.000 1.164 75 Y CB -1.221 37.248 38.460 0.015 0.000 0.982 75 Y HN 0.285 nan 8.280 nan 0.000 0.515 76 S N -0.160 115.705 115.700 0.274 0.000 2.382 76 S HA -0.184 4.286 4.470 0.001 0.000 0.228 76 S C 1.951 176.632 174.600 0.136 0.000 1.027 76 S CA 1.384 59.729 58.200 0.240 0.000 0.991 76 S CB -0.194 63.140 63.200 0.223 0.000 0.823 76 S HN 0.429 nan 8.310 nan 0.000 0.469 77 K N 0.732 121.185 120.400 0.087 0.000 2.001 77 K HA -0.033 4.287 4.320 0.001 0.000 0.208 77 K C 2.128 178.761 176.600 0.055 0.000 1.048 77 K CA 1.064 57.384 56.287 0.055 0.000 0.932 77 K CB -0.410 32.106 32.500 0.027 0.000 0.715 77 K HN 0.165 nan 8.250 nan 0.000 0.437 78 L N 1.098 122.358 121.223 0.061 0.000 1.989 78 L HA -0.201 4.140 4.340 0.001 0.000 0.211 78 L C 1.875 178.759 176.870 0.024 0.000 1.071 78 L CA 1.712 56.576 54.840 0.040 0.000 0.749 78 L CB -0.545 41.541 42.059 0.046 0.000 0.890 78 L HN 0.071 nan 8.230 nan 0.000 0.431 79 L N -0.623 120.613 121.223 0.022 0.000 2.017 79 L HA -0.217 4.124 4.340 0.001 0.000 0.208 79 L C 2.713 179.635 176.870 0.086 0.000 1.073 79 L CA 1.684 56.525 54.840 0.002 0.000 0.745 79 L CB -1.754 40.291 42.059 -0.023 0.000 0.894 79 L HN 0.430 nan 8.230 nan 0.000 0.432 80 C N -0.548 118.808 119.300 0.094 0.000 2.422 80 C HA -0.064 4.397 4.460 0.001 0.000 0.279 80 C C 2.835 177.862 174.990 0.062 0.000 1.305 80 C CA 0.514 59.580 59.018 0.080 0.000 1.757 80 C CB -1.560 26.220 27.740 0.067 0.000 1.962 80 C HN 0.690 nan 8.230 nan 0.000 0.499 81 G N 0.406 109.239 108.800 0.055 0.000 2.421 81 G HA2 -0.160 3.800 3.960 0.001 0.000 0.216 81 G HA3 -0.160 3.800 3.960 0.001 0.000 0.216 81 G C 1.411 176.349 174.900 0.064 0.000 1.171 81 G CA 0.658 45.785 45.100 0.046 0.000 0.775 81 G HN 0.330 nan 8.290 nan 0.000 0.543 82 L N 0.513 121.790 121.223 0.091 0.000 2.017 82 L HA 0.076 4.417 4.340 0.001 0.000 0.208 82 L C 2.984 179.971 176.870 0.196 0.000 1.073 82 L CA 1.084 56.021 54.840 0.162 0.000 0.745 82 L CB -1.092 41.077 42.059 0.183 0.000 0.894 82 L HN 0.202 nan 8.230 nan 0.000 0.432 83 L N -1.248 120.085 121.223 0.184 0.000 2.046 83 L HA -0.200 4.140 4.340 0.001 0.000 0.208 83 L C 2.631 179.517 176.870 0.028 0.000 1.077 83 L CA 1.166 56.089 54.840 0.137 0.000 0.747 83 L CB -0.761 41.383 42.059 0.143 0.000 0.896 83 L HN 0.256 nan 8.230 nan 0.000 0.432 84 A N -0.165 122.669 122.820 0.024 0.000 1.855 84 A HA -0.253 4.068 4.320 0.001 0.000 0.215 84 A C 2.309 179.883 177.584 -0.016 0.000 1.191 84 A CA 1.878 53.911 52.037 -0.008 0.000 0.613 84 A CB -0.538 18.460 19.000 -0.002 0.000 0.829 84 A HN 0.462 nan 8.150 nan 0.000 0.442 85 E N -0.530 119.671 120.200 0.003 0.000 2.046 85 E HA -0.181 4.170 4.350 0.001 0.000 0.190 85 E C 2.213 178.794 176.600 -0.033 0.000 0.982 85 E CA 0.927 57.324 56.400 -0.004 0.000 0.800 85 E CB -0.072 29.640 29.700 0.019 0.000 0.756 85 E HN 0.510 nan 8.360 nan 0.000 0.449 86 R N -0.123 120.347 120.500 -0.050 0.000 2.100 86 R HA 0.065 4.406 4.340 0.001 0.000 0.220 86 R C 2.183 178.318 176.300 -0.275 0.000 1.091 86 R CA 0.605 56.604 56.100 -0.169 0.000 0.986 86 R CB -0.021 30.134 30.300 -0.242 0.000 0.888 86 R HN 0.288 nan 8.270 nan 0.000 0.444 87 L N 0.206 121.283 121.223 -0.242 0.000 2.766 87 L HA 0.291 4.632 4.340 0.001 0.000 0.242 87 L C -0.004 176.794 176.870 -0.120 0.000 1.136 87 L CA -0.191 54.519 54.840 -0.216 0.000 0.933 87 L CB 0.139 42.065 42.059 -0.223 0.000 1.241 87 L HN 0.042 nan 8.230 nan 0.000 0.522 88 R N 0.324 120.770 120.500 -0.090 0.000 3.525 88 R HA -0.157 4.184 4.340 0.001 0.000 0.276 88 R C -0.373 175.889 176.300 -0.065 0.000 1.116 88 R CA 0.549 56.610 56.100 -0.066 0.000 0.745 88 R CB -2.293 27.970 30.300 -0.062 0.000 1.185 88 R HN 0.283 nan 8.270 nan 0.000 0.454 89 I N 0.197 120.728 120.570 -0.065 0.000 2.331 89 I HA 0.118 4.289 4.170 0.001 0.000 0.292 89 I C 0.998 177.066 176.117 -0.083 0.000 0.998 89 I CA -0.412 60.841 61.300 -0.079 0.000 1.267 89 I CB 1.763 39.718 38.000 -0.074 0.000 1.386 89 I HN 0.079 nan 8.210 nan 0.000 0.476 90 S N 7.151 122.786 115.700 -0.108 0.000 2.537 90 S HA 0.149 4.620 4.470 0.001 0.000 0.286 90 S C -1.460 173.059 174.600 -0.134 0.000 1.299 90 S CA -1.018 57.117 58.200 -0.108 0.000 1.067 90 S CB 0.798 63.927 63.200 -0.119 0.000 0.864 90 S HN 0.372 nan 8.310 nan 0.000 0.494 91 P HA -0.123 nan 4.420 nan 0.000 0.218 91 P C 0.641 177.877 177.300 -0.106 0.000 1.146 91 P CA 1.078 64.138 63.100 -0.066 0.000 0.813 91 P CB -0.029 31.658 31.700 -0.021 0.000 0.778 92 D N -1.586 118.731 120.400 -0.137 0.000 2.328 92 D HA -0.062 4.579 4.640 0.001 0.000 0.226 92 D C 0.918 176.950 176.300 -0.446 0.000 1.066 92 D CA 0.301 54.207 54.000 -0.157 0.000 0.861 92 D CB -0.466 40.295 40.800 -0.065 0.000 0.912 92 D HN 0.170 nan 8.370 nan 0.000 0.521 93 R N 0.092 120.191 120.500 -0.669 0.000 2.700 93 R HA 0.338 4.679 4.340 0.001 0.000 0.399 93 R C -0.896 174.691 176.300 -1.189 0.000 1.115 93 R CA -0.231 55.017 56.100 -1.420 0.000 1.058 93 R CB 1.448 31.264 30.300 -0.806 0.000 1.389 93 R HN -0.023 nan 8.270 nan 0.000 0.582 94 V N 1.145 120.641 119.914 -0.697 0.000 2.638 94 V HA 0.401 4.522 4.120 0.001 0.000 0.306 94 V C -1.162 174.976 176.094 0.073 0.000 1.052 94 V CA -0.910 61.263 62.300 -0.211 0.000 0.885 94 V CB 2.112 33.903 31.823 -0.053 0.000 0.999 94 V HN 0.075 nan 8.190 nan 0.000 0.424 95 Y N 4.214 124.642 120.300 0.214 0.000 2.409 95 Y HA 0.722 5.272 4.550 0.001 0.000 0.343 95 Y C -0.088 175.852 175.900 0.067 0.000 0.973 95 Y CA -1.795 56.412 58.100 0.178 0.000 1.064 95 Y CB 2.065 40.642 38.460 0.195 0.000 1.207 95 Y HN 0.448 nan 8.280 nan 0.000 0.452 96 I N 3.413 124.079 120.570 0.160 0.000 2.478 96 I HA 0.333 4.503 4.170 0.001 0.000 0.287 96 I C -0.861 175.056 176.117 -0.333 0.000 1.042 96 I CA -0.589 60.657 61.300 -0.091 0.000 1.067 96 I CB 1.763 39.678 38.000 -0.141 0.000 1.233 96 I HN 0.537 nan 8.210 nan 0.000 0.431 97 N N 5.033 123.520 118.700 -0.355 0.000 2.438 97 N HA 0.483 5.224 4.740 0.001 0.000 0.282 97 N C -1.546 173.499 175.510 -0.775 0.000 1.037 97 N CA -0.562 52.197 53.050 -0.485 0.000 0.942 97 N CB 1.251 39.539 38.487 -0.331 0.000 1.136 97 N HN 0.357 nan 8.380 nan 0.000 0.481 98 Y N 1.697 121.687 120.300 -0.517 0.000 2.360 98 Y HA 0.374 4.925 4.550 0.001 0.000 0.337 98 Y C -0.847 174.644 175.900 -0.682 0.000 1.039 98 Y CA -0.522 57.338 58.100 -0.399 0.000 1.109 98 Y CB 0.845 39.232 38.460 -0.122 0.000 1.201 98 Y HN 0.432 nan 8.280 nan 0.000 0.458 99 Y N 1.285 121.586 120.300 0.001 0.000 2.329 99 Y HA 0.226 4.777 4.550 0.001 0.000 0.328 99 Y C -0.569 175.366 175.900 0.058 0.000 0.992 99 Y CA -1.530 56.550 58.100 -0.032 0.000 1.151 99 Y CB 1.412 39.739 38.460 -0.221 0.000 1.150 99 Y HN 0.496 nan 8.280 nan 0.000 0.450 100 D N 4.369 124.887 120.400 0.197 0.000 2.441 100 D HA 0.175 4.816 4.640 0.001 0.000 0.221 100 D C -0.394 175.998 176.300 0.153 0.000 1.156 100 D CA -0.162 53.926 54.000 0.146 0.000 0.896 100 D CB 0.464 41.320 40.800 0.094 0.000 1.028 100 D HN 0.299 nan 8.370 nan 0.000 0.509 101 M N 2.488 122.184 119.600 0.160 0.000 2.233 101 M HA 0.143 4.624 4.480 0.001 0.000 0.350 101 M C 0.616 176.971 176.300 0.091 0.000 1.176 101 M CA -0.295 55.089 55.300 0.140 0.000 1.150 101 M CB 0.526 33.215 32.600 0.148 0.000 1.530 101 M HN 0.314 nan 8.290 nan 0.000 0.459 102 N N 1.218 119.970 118.700 0.086 0.000 2.514 102 N HA 0.235 4.976 4.740 0.001 0.000 0.277 102 N C 0.540 176.097 175.510 0.080 0.000 1.126 102 N CA 0.196 53.288 53.050 0.069 0.000 0.978 102 N CB 1.422 39.947 38.487 0.064 0.000 1.106 102 N HN 0.704 nan 8.380 nan 0.000 0.461 103 A N 3.848 126.713 122.820 0.075 0.000 1.940 103 A HA -0.130 4.191 4.320 0.001 0.000 0.219 103 A C 1.969 179.645 177.584 0.153 0.000 1.176 103 A CA 2.004 54.114 52.037 0.122 0.000 0.631 103 A CB -0.750 18.314 19.000 0.106 0.000 0.814 103 A HN 0.790 nan 8.150 nan 0.000 0.446 104 A N -0.633 122.247 122.820 0.101 0.000 2.172 104 A HA -0.053 4.268 4.320 0.001 0.000 0.216 104 A C 1.451 179.079 177.584 0.073 0.000 1.154 104 A CA 1.256 53.341 52.037 0.080 0.000 0.701 104 A CB -0.317 18.717 19.000 0.056 0.000 0.789 104 A HN 0.493 nan 8.150 nan 0.000 0.465 105 N N -0.500 118.250 118.700 0.084 0.000 2.214 105 N HA 0.175 4.916 4.740 0.001 0.000 0.214 105 N C -0.796 174.765 175.510 0.086 0.000 1.132 105 N CA 0.306 53.399 53.050 0.071 0.000 0.856 105 N CB 1.138 39.663 38.487 0.063 0.000 1.020 105 N HN 0.136 nan 8.380 nan 0.000 0.509 106 V N 0.532 120.528 119.914 0.138 0.000 2.349 106 V HA 0.541 4.662 4.120 0.001 0.000 0.284 106 V C 0.594 176.800 176.094 0.187 0.000 1.014 106 V CA -1.112 61.300 62.300 0.186 0.000 0.826 106 V CB 1.251 33.234 31.823 0.268 0.000 1.009 106 V HN 0.085 nan 8.190 nan 0.000 0.431 107 G N 3.277 112.139 108.800 0.104 0.000 2.415 107 G HA2 0.505 4.466 3.960 0.001 0.000 0.269 107 G HA3 0.505 4.466 3.960 0.001 0.000 0.269 107 G C -1.400 173.566 174.900 0.111 0.000 1.209 107 G CA -0.297 44.830 45.100 0.044 0.000 0.835 107 G HN 0.825 nan 8.290 nan 0.000 0.534 108 W N 2.544 123.696 121.300 -0.248 0.000 3.707 108 W HA 0.395 5.056 4.660 0.001 0.000 0.294 108 W C -0.113 176.253 176.519 -0.256 0.000 1.248 108 W CA -0.908 56.289 57.345 -0.246 0.000 1.217 108 W CB 0.611 29.845 29.460 -0.376 0.000 1.306 108 W HN 0.800 nan 8.180 nan 0.000 0.532 109 N N 4.971 123.048 118.700 -1.038 0.000 2.688 109 N HA -0.337 4.404 4.740 0.001 0.000 0.258 109 N C 0.206 175.370 175.510 -0.577 0.000 1.016 109 N CA 1.657 54.069 53.050 -1.065 0.000 0.747 109 N CB -0.843 36.430 38.487 -2.024 0.000 0.895 109 N HN 0.906 nan 8.380 nan 0.000 0.543 110 N N -1.434 117.054 118.700 -0.353 0.000 2.778 110 N HA -0.227 4.514 4.740 0.001 0.000 0.249 110 N C -0.489 174.913 175.510 -0.180 0.000 1.069 110 N CA 1.383 54.299 53.050 -0.224 0.000 0.831 110 N CB -0.808 37.559 38.487 -0.200 0.000 1.142 110 N HN 0.571 nan 8.380 nan 0.000 0.573 111 S N -2.483 113.098 115.700 -0.198 0.000 2.929 111 S HA 0.760 5.231 4.470 0.001 0.000 0.311 111 S C -0.698 173.821 174.600 -0.135 0.000 1.213 111 S CA 0.046 58.163 58.200 -0.138 0.000 0.908 111 S CB 1.059 64.181 63.200 -0.130 0.000 1.287 111 S HN 0.297 nan 8.310 nan 0.000 0.594 112 T N -1.046 113.441 114.554 -0.112 0.000 2.773 112 T HA 0.655 5.006 4.350 0.001 0.000 0.278 112 T C -0.189 174.417 174.700 -0.156 0.000 1.011 112 T CA -0.399 61.639 62.100 -0.104 0.000 1.014 112 T CB 0.389 69.260 68.868 0.006 0.000 1.293 112 T HN 0.333 nan 8.240 nan 0.000 0.554 113 F N 0.915 120.906 119.950 0.069 0.000 2.765 113 F HA 0.570 5.098 4.527 0.001 0.000 0.302 113 F C 1.806 177.618 175.800 0.020 0.000 1.111 113 F CA -0.317 57.703 58.000 0.034 0.000 1.359 113 F CB -0.562 38.421 39.000 -0.029 0.000 1.097 113 F HN 0.800 nan 8.300 nan 0.000 0.577 114 A N 0.000 122.918 122.820 0.163 0.000 2.254 114 A HA 0.000 4.321 4.320 0.001 0.000 0.244 114 A CA 0.000 52.100 52.037 0.105 0.000 0.836 114 A CB 0.000 19.043 19.000 0.072 0.000 0.831 114 A HN 0.000 nan 8.150 nan 0.000 0.486