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_C 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 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.949 174.900 0.081 0.000 0.946 1 G CA 0.000 45.124 45.100 0.040 0.000 0.502 2 M N 2.547 122.234 119.600 0.144 0.000 2.165 2 M HA 0.662 5.143 4.480 0.000 0.000 0.283 2 M C -2.052 174.412 176.300 0.274 0.000 0.978 2 M CA -0.912 54.491 55.300 0.171 0.000 0.948 2 M CB 1.610 34.280 32.600 0.118 0.000 1.599 2 M HN 0.449 nan 8.290 nan 0.000 0.450 3 F N 6.793 126.782 119.950 0.065 0.000 2.426 3 F HA 0.655 5.182 4.527 -0.000 0.000 0.348 3 F C -1.338 174.503 175.800 0.069 0.000 1.124 3 F CA -0.889 57.141 58.000 0.049 0.000 1.008 3 F CB 0.903 39.892 39.000 -0.018 0.000 1.139 3 F HN 0.358 nan 8.300 nan 0.000 0.452 4 I N 6.900 127.110 120.570 -0.601 0.000 2.530 4 I HA 0.504 4.674 4.170 0.000 0.000 0.297 4 I C -0.921 174.725 176.117 -0.785 0.000 1.011 4 I CA -1.056 59.952 61.300 -0.486 0.000 1.107 4 I CB 1.488 39.363 38.000 -0.208 0.000 1.285 4 I HN 0.243 nan 8.210 nan 0.000 0.436 5 V N 5.135 124.734 119.914 -0.525 0.000 2.525 5 V HA 0.420 4.540 4.120 0.000 0.000 0.299 5 V C -0.502 175.471 176.094 -0.201 0.000 1.034 5 V CA -0.727 61.371 62.300 -0.336 0.000 0.863 5 V CB 1.761 33.511 31.823 -0.121 0.000 0.999 5 V HN 0.706 nan 8.190 nan 0.000 0.423 6 N N 1.959 120.578 118.700 -0.134 0.000 2.392 6 N HA 0.753 5.494 4.740 0.000 0.000 0.283 6 N C -0.551 174.940 175.510 -0.032 0.000 1.003 6 N CA -0.315 52.682 53.050 -0.090 0.000 0.892 6 N CB 2.150 40.594 38.487 -0.072 0.000 1.193 6 N HN 0.757 nan 8.380 nan 0.000 0.487 7 T N -0.071 114.471 114.554 -0.021 0.000 2.868 7 T HA 0.262 4.612 4.350 0.000 0.000 0.306 7 T C -0.042 174.654 174.700 -0.006 0.000 1.224 7 T CA -0.755 61.341 62.100 -0.006 0.000 1.012 7 T CB 0.704 69.571 68.868 -0.001 0.000 1.221 7 T HN 0.603 nan 8.240 nan 0.000 0.499 8 N N 1.720 120.417 118.700 -0.005 0.000 2.463 8 N HA 0.042 4.782 4.740 0.000 0.000 0.181 8 N C 0.579 176.081 175.510 -0.013 0.000 1.078 8 N CA 0.129 53.176 53.050 -0.005 0.000 0.902 8 N CB -0.515 37.972 38.487 0.000 0.000 0.970 8 N HN 0.331 nan 8.380 nan 0.000 0.451 9 V N 2.512 122.413 119.914 -0.021 0.000 2.694 9 V HA 0.067 4.188 4.120 0.000 0.000 0.306 9 V C -1.944 174.136 176.094 -0.023 0.000 1.054 9 V CA -0.840 61.442 62.300 -0.031 0.000 1.161 9 V CB 0.267 32.061 31.823 -0.048 0.000 0.916 9 V HN 0.155 nan 8.190 nan 0.000 0.490 10 P HA 0.131 nan 4.420 nan 0.000 0.271 10 P C 0.733 178.025 177.300 -0.013 0.000 1.218 10 P CA -0.392 62.700 63.100 -0.014 0.000 0.780 10 P CB 0.454 32.145 31.700 -0.015 0.000 0.901 11 R N 3.127 123.627 120.500 -0.001 0.000 2.103 11 R HA -0.197 4.143 4.340 0.000 0.000 0.242 11 R C 1.768 178.069 176.300 0.001 0.000 1.142 11 R CA 2.383 58.488 56.100 0.009 0.000 0.960 11 R CB -1.426 28.885 30.300 0.017 0.000 0.858 11 R HN 0.563 nan 8.270 nan 0.000 0.439 12 A N -0.329 122.488 122.820 -0.004 0.000 2.070 12 A HA -0.071 4.250 4.320 0.000 0.000 0.220 12 A C 2.002 179.573 177.584 -0.021 0.000 1.159 12 A CA 1.660 53.692 52.037 -0.008 0.000 0.656 12 A CB -0.228 18.767 19.000 -0.007 0.000 0.800 12 A HN 0.380 nan 8.150 nan 0.000 0.453 13 S N -0.734 114.945 115.700 -0.035 0.000 2.575 13 S HA 0.165 4.635 4.470 0.000 0.000 0.215 13 S C 0.333 174.873 174.600 -0.100 0.000 0.966 13 S CA -0.123 58.040 58.200 -0.062 0.000 0.911 13 S CB 0.093 63.254 63.200 -0.065 0.000 0.780 13 S HN 0.215 nan 8.310 nan 0.000 0.514 14 V N 5.605 125.474 119.914 -0.075 0.000 2.389 14 V HA 0.216 4.336 4.120 0.000 0.000 0.264 14 V C -1.970 174.091 176.094 -0.055 0.000 1.049 14 V CA -2.060 60.179 62.300 -0.103 0.000 0.932 14 V CB 0.208 32.036 31.823 0.009 0.000 1.011 14 V HN 0.219 nan 8.190 nan 0.000 0.475 15 P HA 0.076 nan 4.420 nan 0.000 0.268 15 P C -0.344 177.004 177.300 0.079 0.000 1.205 15 P CA -0.187 62.904 63.100 -0.015 0.000 0.771 15 P CB 0.751 32.428 31.700 -0.038 0.000 0.858 16 D N 1.010 121.449 120.400 0.064 0.000 2.455 16 D HA 0.300 4.940 4.640 0.000 0.000 0.241 16 D C 1.549 177.912 176.300 0.104 0.000 1.138 16 D CA 1.986 56.033 54.000 0.079 0.000 0.877 16 D CB -0.091 40.739 40.800 0.051 0.000 1.187 16 D HN 0.677 nan 8.370 nan 0.000 0.451 17 G N 2.538 111.407 108.800 0.115 0.000 2.217 17 G HA2 -0.367 3.593 3.960 0.000 0.000 0.246 17 G HA3 -0.367 3.593 3.960 0.000 0.000 0.246 17 G C 0.930 175.927 174.900 0.161 0.000 0.990 17 G CA 0.238 45.404 45.100 0.109 0.000 0.627 17 G HN 0.522 nan 8.290 nan 0.000 0.522 18 F N 1.679 121.649 119.950 0.034 0.000 2.091 18 F HA 0.008 4.535 4.527 0.001 0.000 0.299 18 F C 2.495 178.328 175.800 0.056 0.000 1.103 18 F CA 2.088 60.114 58.000 0.043 0.000 1.228 18 F CB -0.309 38.720 39.000 0.047 0.000 0.984 18 F HN 0.169 nan 8.300 nan 0.000 0.477 19 L N -0.816 120.403 121.223 -0.007 0.000 2.083 19 L HA -0.220 4.121 4.340 0.000 0.000 0.209 19 L C 2.477 179.302 176.870 -0.076 0.000 1.083 19 L CA 1.826 56.615 54.840 -0.085 0.000 0.752 19 L CB -1.685 40.385 42.059 0.018 0.000 0.899 19 L HN 0.167 nan 8.230 nan 0.000 0.433 20 S N -0.454 115.234 115.700 -0.020 0.000 2.355 20 S HA -0.213 4.258 4.470 0.000 0.000 0.222 20 S C 1.876 176.454 174.600 -0.036 0.000 1.031 20 S CA 1.344 59.535 58.200 -0.015 0.000 0.993 20 S CB -0.078 63.130 63.200 0.013 0.000 0.859 20 S HN 0.439 nan 8.310 nan 0.000 0.453 21 E N 1.037 121.218 120.200 -0.032 0.000 2.077 21 E HA -0.135 4.215 4.350 0.000 0.000 0.193 21 E C 1.982 178.519 176.600 -0.105 0.000 0.989 21 E CA 0.904 57.283 56.400 -0.035 0.000 0.800 21 E CB -0.180 29.541 29.700 0.035 0.000 0.746 21 E HN 0.407 nan 8.360 nan 0.000 0.452 22 L N 0.388 121.482 121.223 -0.214 0.000 2.017 22 L HA -0.191 4.149 4.340 0.000 0.000 0.208 22 L C 2.671 179.448 176.870 -0.156 0.000 1.073 22 L CA 1.741 56.429 54.840 -0.254 0.000 0.745 22 L CB -0.620 41.229 42.059 -0.350 0.000 0.894 22 L HN 0.250 nan 8.230 nan 0.000 0.432 23 T N -1.193 113.299 114.554 -0.102 0.000 2.684 23 T HA -0.213 4.137 4.350 0.000 0.000 0.267 23 T C 1.914 176.575 174.700 -0.066 0.000 1.036 23 T CA 1.138 63.201 62.100 -0.062 0.000 1.148 23 T CB -0.138 68.709 68.868 -0.035 0.000 0.863 23 T HN 0.286 nan 8.240 nan 0.000 0.436 24 Q N 0.911 120.674 119.800 -0.061 0.000 2.016 24 Q HA -0.017 4.323 4.340 0.000 0.000 0.200 24 Q C 2.619 178.584 176.000 -0.058 0.000 0.978 24 Q CA 1.192 56.964 55.803 -0.052 0.000 0.833 24 Q CB -0.455 28.262 28.738 -0.036 0.000 0.895 24 Q HN 0.550 nan 8.270 nan 0.000 0.427 25 Q N 0.281 120.039 119.800 -0.070 0.000 2.124 25 Q HA -0.051 4.289 4.340 0.000 0.000 0.202 25 Q C 2.340 178.288 176.000 -0.088 0.000 0.977 25 Q CA 0.853 56.615 55.803 -0.069 0.000 0.850 25 Q CB -0.151 28.541 28.738 -0.078 0.000 0.901 25 Q HN 0.361 nan 8.270 nan 0.000 0.429 26 L N 0.066 121.212 121.223 -0.130 0.000 2.156 26 L HA -0.114 4.227 4.340 0.000 0.000 0.208 26 L C 2.463 179.274 176.870 -0.099 0.000 1.095 26 L CA 0.825 55.571 54.840 -0.157 0.000 0.770 26 L CB -0.512 41.425 42.059 -0.203 0.000 0.914 26 L HN 0.113 nan 8.230 nan 0.000 0.439 27 A N -0.317 122.458 122.820 -0.075 0.000 1.858 27 A HA -0.256 4.064 4.320 0.000 0.000 0.216 27 A C 2.218 179.776 177.584 -0.044 0.000 1.190 27 A CA 1.602 53.602 52.037 -0.062 0.000 0.617 27 A CB -0.500 18.459 19.000 -0.069 0.000 0.827 27 A HN 0.449 nan 8.150 nan 0.000 0.443 28 Q N -0.646 119.131 119.800 -0.038 0.000 2.030 28 Q HA -0.161 4.179 4.340 0.000 0.000 0.204 28 Q C 2.471 178.475 176.000 0.007 0.000 0.986 28 Q CA 1.546 57.337 55.803 -0.019 0.000 0.843 28 Q CB -0.459 28.269 28.738 -0.018 0.000 0.904 28 Q HN 0.669 nan 8.270 nan 0.000 0.420 29 A N 1.013 123.846 122.820 0.021 0.000 1.940 29 A HA -0.204 4.116 4.320 0.000 0.000 0.219 29 A C 2.249 179.938 177.584 0.175 0.000 1.176 29 A CA 2.129 54.229 52.037 0.104 0.000 0.631 29 A CB -0.843 18.232 19.000 0.125 0.000 0.814 29 A HN 0.569 nan 8.150 nan 0.000 0.446 30 T N -4.791 109.812 114.554 0.081 0.000 3.044 30 T HA 0.402 4.752 4.350 0.000 0.000 0.250 30 T C 1.332 176.064 174.700 0.054 0.000 1.081 30 T CA 1.060 63.217 62.100 0.096 0.000 1.040 30 T CB 0.006 68.877 68.868 0.006 0.000 0.962 30 T HN 1.777 nan 8.240 nan 0.000 0.506 31 G N 1.679 110.492 108.800 0.021 0.000 2.225 31 G HA2 -0.219 3.742 3.960 0.000 0.000 0.264 31 G HA3 -0.219 3.742 3.960 0.000 0.000 0.264 31 G C -0.263 174.628 174.900 -0.015 0.000 1.060 31 G CA 0.113 45.213 45.100 0.000 0.000 0.833 31 G HN 0.685 nan 8.290 nan 0.000 0.498 32 K N -0.160 120.222 120.400 -0.030 0.000 2.267 32 K HA 0.535 4.855 4.320 0.000 0.000 0.246 32 K C -2.725 173.776 176.600 -0.166 0.000 0.954 32 K CA -2.295 53.962 56.287 -0.050 0.000 0.824 32 K CB 2.168 34.689 32.500 0.035 0.000 1.167 32 K HN -0.069 nan 8.250 nan 0.000 0.431 33 P HA 0.040 nan 4.420 nan 0.000 0.268 33 P C -2.160 174.941 177.300 -0.332 0.000 1.205 33 P CA -1.033 61.806 63.100 -0.435 0.000 0.771 33 P CB 0.292 31.511 31.700 -0.800 0.000 0.858 34 P HA -0.186 nan 4.420 nan 0.000 0.219 34 P C 1.440 178.689 177.300 -0.085 0.000 1.146 34 P CA 1.317 64.351 63.100 -0.110 0.000 0.808 34 P CB -0.091 31.561 31.700 -0.080 0.000 0.779 35 Q N -1.979 117.740 119.800 -0.135 0.000 2.364 35 Q HA -0.129 4.211 4.340 0.000 0.000 0.207 35 Q C 1.181 177.243 176.000 0.104 0.000 0.970 35 Q CA 1.171 56.955 55.803 -0.032 0.000 0.888 35 Q CB -0.285 28.433 28.738 -0.034 0.000 0.951 35 Q HN 0.410 nan 8.270 nan 0.000 0.469 36 Y N -0.626 119.627 120.300 -0.077 0.000 2.500 36 Y HA 0.092 4.642 4.550 0.000 0.000 0.270 36 Y C 0.904 176.753 175.900 -0.084 0.000 1.134 36 Y CA -0.753 57.271 58.100 -0.125 0.000 1.293 36 Y CB 0.404 38.756 38.460 -0.180 0.000 1.063 36 Y HN -0.084 nan 8.280 nan 0.000 0.534 37 I N 1.096 121.722 120.570 0.093 0.000 2.371 37 I HA 0.355 4.525 4.170 0.000 0.000 0.290 37 I C 0.389 176.541 176.117 0.059 0.000 1.028 37 I CA -0.735 60.597 61.300 0.054 0.000 1.345 37 I CB 0.352 38.358 38.000 0.011 0.000 1.407 37 I HN -0.073 nan 8.210 nan 0.000 0.501 38 A N 6.995 129.858 122.820 0.071 0.000 2.342 38 A HA 0.795 5.115 4.320 0.000 0.000 0.323 38 A C -0.701 176.942 177.584 0.098 0.000 1.125 38 A CA -0.484 51.597 52.037 0.074 0.000 0.785 38 A CB 1.589 20.631 19.000 0.070 0.000 1.221 38 A HN 0.440 nan 8.150 nan 0.000 0.463 39 V N 2.368 122.338 119.914 0.093 0.000 2.735 39 V HA 0.499 4.619 4.120 0.000 0.000 0.310 39 V C -0.620 175.563 176.094 0.148 0.000 1.061 39 V CA -0.454 61.924 62.300 0.131 0.000 0.913 39 V CB 1.973 33.851 31.823 0.092 0.000 1.005 39 V HN 1.011 nan 8.190 nan 0.000 0.428 40 H N 2.529 121.601 119.070 0.003 0.000 2.934 40 H HA 0.713 5.269 4.556 -0.000 0.000 0.340 40 H C -1.955 173.355 175.328 -0.030 0.000 1.008 40 H CA -0.555 55.483 56.048 -0.015 0.000 1.317 40 H CB 2.108 31.852 29.762 -0.031 0.000 1.670 40 H HN 0.459 nan 8.280 nan 0.000 0.516 41 V N 6.367 126.370 119.914 0.149 0.000 2.409 41 V HA 0.213 4.333 4.120 0.000 0.000 0.291 41 V C -0.363 175.720 176.094 -0.018 0.000 1.020 41 V CA -0.726 61.599 62.300 0.041 0.000 0.848 41 V CB 1.513 33.450 31.823 0.191 0.000 0.990 41 V HN 0.519 nan 8.190 nan 0.000 0.430 42 V N 7.728 127.557 119.914 -0.141 0.000 2.284 42 V HA 0.402 4.522 4.120 0.000 0.000 0.274 42 V C -2.037 174.034 176.094 -0.039 0.000 1.023 42 V CA -1.327 60.910 62.300 -0.106 0.000 0.808 42 V CB 1.256 32.956 31.823 -0.204 0.000 1.035 42 V HN 0.699 nan 8.190 nan 0.000 0.445 43 P HA 0.387 nan 4.420 nan 0.000 0.301 43 P C -0.312 176.989 177.300 0.002 0.000 1.309 43 P CA -0.173 62.930 63.100 0.005 0.000 0.782 43 P CB 0.961 32.671 31.700 0.017 0.000 1.282 44 D N -2.546 117.854 120.400 0.000 0.000 2.911 44 D HA -0.116 4.524 4.640 0.000 0.000 0.227 44 D C -0.072 176.229 176.300 0.001 0.000 1.164 44 D CA 1.042 55.043 54.000 0.001 0.000 0.782 44 D CB -0.757 40.046 40.800 0.005 0.000 1.094 44 D HN 0.384 nan 8.370 nan 0.000 0.425 45 Q N -0.025 119.774 119.800 -0.001 0.000 2.306 45 Q HA 0.370 4.710 4.340 0.000 0.000 0.241 45 Q C 0.749 176.752 176.000 0.005 0.000 0.948 45 Q CA -0.335 55.468 55.803 0.001 0.000 0.886 45 Q CB 1.159 29.895 28.738 -0.004 0.000 1.227 45 Q HN 0.368 nan 8.270 nan 0.000 0.457 46 L N 3.684 124.911 121.223 0.007 0.000 2.312 46 L HA 0.284 4.624 4.340 0.000 0.000 0.287 46 L C -0.436 176.442 176.870 0.014 0.000 1.091 46 L CA 0.222 55.067 54.840 0.009 0.000 0.846 46 L CB 0.003 42.067 42.059 0.008 0.000 1.219 46 L HN 0.489 nan 8.230 nan 0.000 0.439 47 M N 3.476 123.087 119.600 0.019 0.000 2.667 47 M HA 0.765 5.245 4.480 0.000 0.000 0.286 47 M C -0.971 175.353 176.300 0.039 0.000 1.270 47 M CA -0.674 54.644 55.300 0.031 0.000 0.826 47 M CB 2.480 35.106 32.600 0.042 0.000 1.743 47 M HN 0.440 nan 8.290 nan 0.000 0.460 48 A N 1.259 124.110 122.820 0.051 0.000 2.517 48 A HA 0.812 5.132 4.320 0.000 0.000 0.297 48 A C -2.261 175.377 177.584 0.091 0.000 1.050 48 A CA -0.444 51.631 52.037 0.062 0.000 0.694 48 A CB 1.346 20.365 19.000 0.031 0.000 1.277 48 A HN 0.708 nan 8.150 nan 0.000 0.400 49 F N 2.127 122.049 119.950 -0.047 0.000 2.499 49 F HA 0.555 5.082 4.527 0.000 0.000 0.333 49 F C 1.072 176.838 175.800 -0.056 0.000 1.138 49 F CA 0.498 58.451 58.000 -0.079 0.000 0.945 49 F CB 1.875 40.792 39.000 -0.139 0.000 1.181 49 F HN 1.545 nan 8.300 nan 0.000 0.435 50 G N 3.164 111.941 108.800 -0.038 0.000 2.168 50 G HA2 -0.027 3.933 3.960 0.000 0.000 0.257 50 G HA3 -0.027 3.933 3.960 0.000 0.000 0.257 50 G C 1.104 176.029 174.900 0.042 0.000 0.997 50 G CA 0.614 45.735 45.100 0.036 0.000 0.708 50 G HN 2.182 nan 8.290 nan 0.000 0.520 51 G N -1.981 106.836 108.800 0.028 0.000 2.176 51 G HA2 0.051 4.011 3.960 0.000 0.000 0.253 51 G HA3 0.051 4.011 3.960 0.000 0.000 0.253 51 G C 0.469 175.391 174.900 0.037 0.000 0.979 51 G CA 1.372 46.487 45.100 0.025 0.000 0.641 51 G HN 2.139 nan 8.290 nan 0.000 0.530 52 S N -0.803 114.934 115.700 0.061 0.000 2.593 52 S HA 0.714 5.185 4.470 0.000 0.000 0.297 52 S C 1.119 175.750 174.600 0.051 0.000 1.112 52 S CA 0.581 58.812 58.200 0.050 0.000 1.043 52 S CB 1.761 64.992 63.200 0.052 0.000 1.054 52 S HN 0.448 nan 8.310 nan 0.000 0.516 53 S N 2.194 117.911 115.700 0.029 0.000 2.572 53 S HA 0.211 4.681 4.470 0.000 0.000 0.228 53 S C 0.157 174.761 174.600 0.007 0.000 0.963 53 S CA -0.351 57.861 58.200 0.021 0.000 0.939 53 S CB -0.050 63.158 63.200 0.013 0.000 0.804 53 S HN 0.651 nan 8.310 nan 0.000 0.480 54 E N 2.632 122.832 120.200 0.000 0.000 2.425 54 E HA 0.149 4.500 4.350 0.000 0.000 0.258 54 E C -2.545 174.033 176.600 -0.037 0.000 1.151 54 E CA -2.202 54.185 56.400 -0.022 0.000 0.958 54 E CB -0.331 29.349 29.700 -0.032 0.000 0.968 54 E HN 0.044 nan 8.360 nan 0.000 0.451 55 P HA -0.071 nan 4.420 nan 0.000 0.261 55 P C -0.525 176.712 177.300 -0.104 0.000 1.183 55 P CA 0.379 63.442 63.100 -0.063 0.000 0.761 55 P CB 0.263 31.924 31.700 -0.065 0.000 0.785 56 C N 1.622 120.869 119.300 -0.089 0.000 3.323 56 C HA 0.966 5.427 4.460 0.000 0.000 0.324 56 C C -1.056 173.897 174.990 -0.061 0.000 1.428 56 C CA -1.050 57.880 59.018 -0.147 0.000 1.368 56 C CB 1.237 28.912 27.740 -0.109 0.000 1.731 56 C HN 0.644 nan 8.230 nan 0.000 0.455 57 A N 0.637 123.427 122.820 -0.049 0.000 2.547 57 A HA 0.811 5.131 4.320 0.000 0.000 0.297 57 A C -1.653 175.978 177.584 0.078 0.000 1.056 57 A CA -0.429 51.617 52.037 0.016 0.000 0.688 57 A CB 1.027 20.040 19.000 0.022 0.000 1.282 57 A HN 1.088 nan 8.150 nan 0.000 0.400 58 L N 1.575 122.843 121.223 0.075 0.000 2.343 58 L HA 0.570 4.910 4.340 0.000 0.000 0.278 58 L C -0.778 176.101 176.870 0.016 0.000 0.996 58 L CA -0.487 54.419 54.840 0.110 0.000 0.831 58 L CB 1.469 43.595 42.059 0.112 0.000 1.232 58 L HN 0.838 nan 8.230 nan 0.000 0.413 59 C N 0.948 120.253 119.300 0.009 0.000 2.973 59 C HA 0.905 5.365 4.460 0.000 0.000 0.329 59 C C 0.013 174.941 174.990 -0.104 0.000 1.327 59 C CA -0.811 58.126 59.018 -0.135 0.000 1.632 59 C CB 2.025 29.686 27.740 -0.130 0.000 2.098 59 C HN 0.841 nan 8.230 nan 0.000 0.469 60 S N 0.249 115.849 115.700 -0.167 0.000 2.533 60 S HA 0.731 5.201 4.470 0.000 0.000 0.271 60 S C -1.618 173.016 174.600 0.056 0.000 1.143 60 S CA -0.517 57.658 58.200 -0.041 0.000 0.891 60 S CB 1.384 64.689 63.200 0.175 0.000 1.105 60 S HN 0.866 nan 8.310 nan 0.000 0.468 61 L N 2.552 123.800 121.223 0.041 0.000 2.349 61 L HA 0.679 5.019 4.340 0.000 0.000 0.278 61 L C -1.550 175.427 176.870 0.179 0.000 0.996 61 L CA -0.118 54.856 54.840 0.224 0.000 0.825 61 L CB 1.142 43.334 42.059 0.222 0.000 1.243 61 L HN 0.962 nan 8.230 nan 0.000 0.412 62 H N 2.611 121.825 119.070 0.240 0.000 2.457 62 H HA 0.815 5.371 4.556 0.000 0.000 0.335 62 H C -0.737 174.672 175.328 0.135 0.000 1.115 62 H CA -0.317 55.867 56.048 0.226 0.000 1.219 62 H CB 1.842 31.686 29.762 0.137 0.000 1.471 62 H HN 0.572 nan 8.280 nan 0.000 0.491 63 S N 2.464 118.302 115.700 0.230 0.000 2.562 63 S HA 0.320 4.790 4.470 0.000 0.000 0.274 63 S C -0.966 173.683 174.600 0.083 0.000 1.160 63 S CA -0.761 57.509 58.200 0.117 0.000 0.933 63 S CB 0.589 63.845 63.200 0.092 0.000 1.100 63 S HN 0.569 nan 8.310 nan 0.000 0.468 64 I N 4.897 125.470 120.570 0.004 0.000 2.389 64 I HA 0.417 4.588 4.170 0.000 0.000 0.295 64 I C 1.233 177.345 176.117 -0.008 0.000 1.117 64 I CA 0.881 62.171 61.300 -0.017 0.000 1.317 64 I CB -0.652 37.276 38.000 -0.120 0.000 1.431 64 I HN 1.016 nan 8.210 nan 0.000 0.521 65 G N 5.838 114.656 108.800 0.030 0.000 2.741 65 G HA2 -0.248 3.712 3.960 0.000 0.000 0.222 65 G HA3 -0.248 3.712 3.960 0.000 0.000 0.222 65 G C 0.387 175.321 174.900 0.056 0.000 1.364 65 G CA -0.458 44.661 45.100 0.032 0.000 0.866 65 G HN 0.588 nan 8.290 nan 0.000 0.555 66 K N -2.333 118.101 120.400 0.057 0.000 3.341 66 K HA -0.168 4.152 4.320 0.000 0.000 0.305 66 K C 0.488 177.186 176.600 0.163 0.000 1.270 66 K CA 1.760 58.108 56.287 0.102 0.000 0.897 66 K CB -1.553 31.021 32.500 0.125 0.000 1.264 66 K HN 0.897 nan 8.250 nan 0.000 0.468 67 I N 0.377 121.007 120.570 0.100 0.000 2.433 67 I HA 0.662 4.832 4.170 0.000 0.000 0.292 67 I C 0.927 177.035 176.117 -0.015 0.000 1.001 67 I CA -0.160 61.190 61.300 0.083 0.000 1.119 67 I CB 1.672 39.734 38.000 0.103 0.000 1.289 67 I HN 0.225 nan 8.210 nan 0.000 0.438 68 G N 2.949 111.689 108.800 -0.100 0.000 2.451 68 G HA2 0.427 4.387 3.960 0.000 0.000 0.292 68 G HA3 0.427 4.387 3.960 0.000 0.000 0.292 68 G C 0.416 175.212 174.900 -0.173 0.000 1.427 68 G CA -0.090 44.943 45.100 -0.112 0.000 0.792 68 G HN 0.698 nan 8.290 nan 0.000 0.498 69 G N 0.277 108.999 108.800 -0.130 0.000 2.628 69 G HA2 0.077 4.038 3.960 0.000 0.000 0.217 69 G HA3 0.077 4.038 3.960 0.000 0.000 0.217 69 G C 2.066 176.862 174.900 -0.174 0.000 1.240 69 G CA 2.788 47.809 45.100 -0.132 0.000 0.792 69 G HN 1.661 nan 8.290 nan 0.000 0.593 70 A N -0.134 122.587 122.820 -0.166 0.000 1.898 70 A HA -0.036 4.284 4.320 0.000 0.000 0.216 70 A C 2.380 179.790 177.584 -0.290 0.000 1.181 70 A CA 2.004 53.931 52.037 -0.183 0.000 0.620 70 A CB -0.444 18.472 19.000 -0.141 0.000 0.819 70 A HN 0.505 nan 8.150 nan 0.000 0.442 71 Q N -0.299 119.277 119.800 -0.373 0.000 2.050 71 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 71 Q C 1.856 177.245 176.000 -1.018 0.000 0.980 71 Q CA 1.594 56.993 55.803 -0.674 0.000 0.840 71 Q CB -0.240 28.143 28.738 -0.591 0.000 0.898 71 Q HN 0.637 nan 8.270 nan 0.000 0.424 72 N N 0.423 118.685 118.700 -0.730 0.000 2.166 72 N HA -0.150 4.591 4.740 0.000 0.000 0.186 72 N C 1.475 176.712 175.510 -0.456 0.000 1.019 72 N CA 0.986 53.553 53.050 -0.805 0.000 0.856 72 N CB -0.218 37.781 38.487 -0.813 0.000 0.993 72 N HN 0.162 nan 8.380 nan 0.000 0.426 73 R N 0.538 120.852 120.500 -0.310 0.000 2.081 73 R HA -0.069 4.271 4.340 0.000 0.000 0.235 73 R C 2.042 178.268 176.300 -0.123 0.000 1.131 73 R CA 1.653 57.662 56.100 -0.152 0.000 0.960 73 R CB -0.061 30.165 30.300 -0.122 0.000 0.856 73 R HN 0.390 nan 8.270 nan 0.000 0.436 74 S N -0.907 114.664 115.700 -0.215 0.000 2.436 74 S HA -0.074 4.397 4.470 0.000 0.000 0.228 74 S C 1.671 176.262 174.600 -0.015 0.000 1.014 74 S CA 0.313 58.434 58.200 -0.130 0.000 0.950 74 S CB -0.324 62.782 63.200 -0.157 0.000 0.784 74 S HN 0.273 nan 8.310 nan 0.000 0.504 75 Y N 2.927 123.193 120.300 -0.055 0.000 2.181 75 Y HA 0.024 4.574 4.550 0.000 0.000 0.288 75 Y C 3.048 179.000 175.900 0.086 0.000 1.146 75 Y CA 0.303 58.407 58.100 0.007 0.000 1.164 75 Y CB -1.218 37.269 38.460 0.044 0.000 0.982 75 Y HN 0.281 nan 8.280 nan 0.000 0.515 76 S N -0.140 115.736 115.700 0.294 0.000 2.382 76 S HA -0.194 4.276 4.470 0.000 0.000 0.228 76 S C 1.963 176.648 174.600 0.142 0.000 1.027 76 S CA 1.448 59.799 58.200 0.252 0.000 0.991 76 S CB -0.209 63.129 63.200 0.231 0.000 0.823 76 S HN 0.426 nan 8.310 nan 0.000 0.469 77 K N 0.692 121.148 120.400 0.093 0.000 2.002 77 K HA -0.045 4.276 4.320 0.000 0.000 0.209 77 K C 2.127 178.762 176.600 0.059 0.000 1.048 77 K CA 1.091 57.413 56.287 0.058 0.000 0.930 77 K CB -0.409 32.108 32.500 0.030 0.000 0.714 77 K HN 0.167 nan 8.250 nan 0.000 0.438 78 L N 1.069 122.332 121.223 0.066 0.000 1.970 78 L HA -0.200 4.140 4.340 0.000 0.000 0.212 78 L C 1.875 178.762 176.870 0.028 0.000 1.071 78 L CA 1.713 56.579 54.840 0.044 0.000 0.751 78 L CB -0.557 41.533 42.059 0.051 0.000 0.889 78 L HN 0.069 nan 8.230 nan 0.000 0.432 79 L N -0.605 120.633 121.223 0.026 0.000 2.017 79 L HA -0.220 4.120 4.340 0.000 0.000 0.208 79 L C 2.711 179.635 176.870 0.089 0.000 1.073 79 L CA 1.684 56.527 54.840 0.004 0.000 0.745 79 L CB -1.731 40.319 42.059 -0.016 0.000 0.894 79 L HN 0.434 nan 8.230 nan 0.000 0.432 80 C N -0.581 118.776 119.300 0.097 0.000 2.425 80 C HA -0.065 4.395 4.460 0.000 0.000 0.277 80 C C 2.838 177.866 174.990 0.062 0.000 1.280 80 C CA 0.521 59.588 59.018 0.082 0.000 1.744 80 C CB -1.566 26.216 27.740 0.069 0.000 1.989 80 C HN 0.691 nan 8.230 nan 0.000 0.491 81 G N 0.383 109.217 108.800 0.056 0.000 2.421 81 G HA2 -0.166 3.794 3.960 0.000 0.000 0.216 81 G HA3 -0.166 3.794 3.960 0.000 0.000 0.216 81 G C 1.413 176.350 174.900 0.062 0.000 1.171 81 G CA 0.673 45.800 45.100 0.046 0.000 0.775 81 G HN 0.336 nan 8.290 nan 0.000 0.543 82 L N 0.479 121.757 121.223 0.091 0.000 2.017 82 L HA 0.101 4.441 4.340 0.000 0.000 0.208 82 L C 2.970 179.955 176.870 0.191 0.000 1.073 82 L CA 1.056 55.993 54.840 0.162 0.000 0.745 82 L CB -1.048 41.125 42.059 0.189 0.000 0.894 82 L HN 0.202 nan 8.230 nan 0.000 0.432 83 L N -1.268 120.062 121.223 0.179 0.000 2.046 83 L HA -0.192 4.149 4.340 0.000 0.000 0.208 83 L C 2.627 179.508 176.870 0.020 0.000 1.077 83 L CA 1.143 56.060 54.840 0.128 0.000 0.747 83 L CB -0.768 41.375 42.059 0.139 0.000 0.896 83 L HN 0.251 nan 8.230 nan 0.000 0.432 84 A N -0.144 122.688 122.820 0.020 0.000 1.855 84 A HA -0.251 4.069 4.320 0.000 0.000 0.215 84 A C 2.305 179.876 177.584 -0.022 0.000 1.191 84 A CA 1.854 53.884 52.037 -0.012 0.000 0.613 84 A CB -0.536 18.460 19.000 -0.005 0.000 0.829 84 A HN 0.455 nan 8.150 nan 0.000 0.442 85 E N -0.515 119.683 120.200 -0.004 0.000 2.047 85 E HA -0.185 4.166 4.350 0.000 0.000 0.191 85 E C 2.218 178.792 176.600 -0.043 0.000 0.987 85 E CA 0.984 57.378 56.400 -0.011 0.000 0.799 85 E CB -0.064 29.644 29.700 0.014 0.000 0.752 85 E HN 0.516 nan 8.360 nan 0.000 0.449 86 R N -0.175 120.284 120.500 -0.069 0.000 2.112 86 R HA 0.073 4.413 4.340 0.000 0.000 0.216 86 R C 2.165 178.291 176.300 -0.290 0.000 1.080 86 R CA 0.574 56.559 56.100 -0.193 0.000 0.996 86 R CB 0.008 30.128 30.300 -0.301 0.000 0.902 86 R HN 0.283 nan 8.270 nan 0.000 0.449 87 L N 0.260 121.329 121.223 -0.257 0.000 2.766 87 L HA 0.293 4.633 4.340 0.000 0.000 0.242 87 L C -0.021 176.775 176.870 -0.123 0.000 1.136 87 L CA -0.196 54.511 54.840 -0.221 0.000 0.933 87 L CB 0.132 42.057 42.059 -0.224 0.000 1.241 87 L HN 0.040 nan 8.230 nan 0.000 0.522 88 R N 0.399 120.843 120.500 -0.095 0.000 3.525 88 R HA -0.157 4.183 4.340 0.000 0.000 0.276 88 R C -0.386 175.874 176.300 -0.067 0.000 1.116 88 R CA 0.540 56.598 56.100 -0.069 0.000 0.745 88 R CB -2.262 28.000 30.300 -0.064 0.000 1.185 88 R HN 0.286 nan 8.270 nan 0.000 0.454 89 I N 0.146 120.676 120.570 -0.068 0.000 2.353 89 I HA 0.122 4.292 4.170 0.000 0.000 0.293 89 I C 0.999 177.066 176.117 -0.085 0.000 0.992 89 I CA -0.416 60.836 61.300 -0.080 0.000 1.268 89 I CB 1.771 39.726 38.000 -0.075 0.000 1.387 89 I HN 0.085 nan 8.210 nan 0.000 0.478 90 S N 7.069 122.702 115.700 -0.111 0.000 2.549 90 S HA 0.163 4.633 4.470 0.000 0.000 0.283 90 S C -1.485 173.035 174.600 -0.134 0.000 1.320 90 S CA -1.030 57.104 58.200 -0.109 0.000 1.058 90 S CB 0.841 63.968 63.200 -0.121 0.000 0.882 90 S HN 0.369 nan 8.310 nan 0.000 0.498 91 P HA -0.118 nan 4.420 nan 0.000 0.217 91 P C 0.661 177.898 177.300 -0.105 0.000 1.148 91 P CA 1.060 64.121 63.100 -0.064 0.000 0.828 91 P CB -0.033 31.655 31.700 -0.020 0.000 0.783 92 D N -1.493 118.825 120.400 -0.135 0.000 2.336 92 D HA -0.068 4.572 4.640 0.000 0.000 0.229 92 D C 0.934 176.969 176.300 -0.441 0.000 1.061 92 D CA 0.318 54.225 54.000 -0.154 0.000 0.875 92 D CB -0.462 40.299 40.800 -0.065 0.000 0.904 92 D HN 0.170 nan 8.370 nan 0.000 0.525 93 R N 0.070 120.175 120.500 -0.658 0.000 2.700 93 R HA 0.332 4.672 4.340 0.000 0.000 0.399 93 R C -0.896 174.705 176.300 -1.165 0.000 1.115 93 R CA -0.225 55.042 56.100 -1.389 0.000 1.058 93 R CB 1.456 31.278 30.300 -0.796 0.000 1.389 93 R HN -0.022 nan 8.270 nan 0.000 0.582 94 V N 1.172 120.683 119.914 -0.671 0.000 2.638 94 V HA 0.399 4.519 4.120 0.000 0.000 0.306 94 V C -1.163 174.980 176.094 0.083 0.000 1.052 94 V CA -0.898 61.284 62.300 -0.196 0.000 0.885 94 V CB 2.117 33.913 31.823 -0.044 0.000 0.999 94 V HN 0.073 nan 8.190 nan 0.000 0.424 95 Y N 4.259 124.692 120.300 0.222 0.000 2.409 95 Y HA 0.716 5.266 4.550 0.001 0.000 0.343 95 Y C -0.090 175.849 175.900 0.065 0.000 0.973 95 Y CA -1.792 56.416 58.100 0.180 0.000 1.064 95 Y CB 2.062 40.636 38.460 0.189 0.000 1.207 95 Y HN 0.447 nan 8.280 nan 0.000 0.452 96 I N 3.499 124.165 120.570 0.159 0.000 2.478 96 I HA 0.323 4.494 4.170 0.000 0.000 0.287 96 I C -0.835 175.081 176.117 -0.335 0.000 1.042 96 I CA -0.571 60.673 61.300 -0.093 0.000 1.067 96 I CB 1.685 39.599 38.000 -0.144 0.000 1.233 96 I HN 0.537 nan 8.210 nan 0.000 0.431 97 N N 5.133 123.622 118.700 -0.352 0.000 2.438 97 N HA 0.462 5.202 4.740 0.000 0.000 0.282 97 N C -1.526 173.517 175.510 -0.779 0.000 1.037 97 N CA -0.535 52.224 53.050 -0.485 0.000 0.942 97 N CB 1.159 39.443 38.487 -0.338 0.000 1.136 97 N HN 0.357 nan 8.380 nan 0.000 0.481 98 Y N 1.758 121.752 120.300 -0.511 0.000 2.341 98 Y HA 0.363 4.913 4.550 0.001 0.000 0.337 98 Y C -0.835 174.664 175.900 -0.668 0.000 1.014 98 Y CA -0.530 57.333 58.100 -0.396 0.000 1.111 98 Y CB 0.814 39.201 38.460 -0.121 0.000 1.194 98 Y HN 0.433 nan 8.280 nan 0.000 0.462 99 Y N 1.345 121.649 120.300 0.007 0.000 2.329 99 Y HA 0.225 4.775 4.550 0.000 0.000 0.328 99 Y C -0.548 175.388 175.900 0.060 0.000 0.992 99 Y CA -1.563 56.518 58.100 -0.032 0.000 1.151 99 Y CB 1.385 39.705 38.460 -0.235 0.000 1.150 99 Y HN 0.499 nan 8.280 nan 0.000 0.450 100 D N 4.376 124.895 120.400 0.199 0.000 2.441 100 D HA 0.177 4.817 4.640 0.000 0.000 0.221 100 D C -0.400 175.993 176.300 0.154 0.000 1.156 100 D CA -0.163 53.925 54.000 0.148 0.000 0.896 100 D CB 0.459 41.316 40.800 0.096 0.000 1.028 100 D HN 0.293 nan 8.370 nan 0.000 0.509 101 M N 2.478 122.175 119.600 0.162 0.000 2.233 101 M HA 0.148 4.628 4.480 0.000 0.000 0.350 101 M C 0.606 176.963 176.300 0.095 0.000 1.176 101 M CA -0.317 55.068 55.300 0.142 0.000 1.150 101 M CB 0.549 33.239 32.600 0.152 0.000 1.530 101 M HN 0.313 nan 8.290 nan 0.000 0.459 102 N N 1.265 120.018 118.700 0.089 0.000 2.514 102 N HA 0.225 4.965 4.740 0.000 0.000 0.277 102 N C 0.572 176.133 175.510 0.085 0.000 1.126 102 N CA 0.199 53.293 53.050 0.073 0.000 0.978 102 N CB 1.408 39.935 38.487 0.066 0.000 1.106 102 N HN 0.710 nan 8.380 nan 0.000 0.461 103 A N 3.996 126.865 122.820 0.082 0.000 1.948 103 A HA -0.156 4.164 4.320 0.000 0.000 0.220 103 A C 1.974 179.651 177.584 0.155 0.000 1.177 103 A CA 2.081 54.197 52.037 0.130 0.000 0.636 103 A CB -0.773 18.297 19.000 0.117 0.000 0.815 103 A HN 0.795 nan 8.150 nan 0.000 0.449 104 A N -0.715 122.166 122.820 0.102 0.000 2.172 104 A HA -0.052 4.268 4.320 0.000 0.000 0.216 104 A C 1.450 179.077 177.584 0.071 0.000 1.154 104 A CA 1.268 53.352 52.037 0.079 0.000 0.701 104 A CB -0.322 18.712 19.000 0.055 0.000 0.789 104 A HN 0.498 nan 8.150 nan 0.000 0.465 105 N N -0.506 118.244 118.700 0.083 0.000 2.214 105 N HA 0.174 4.914 4.740 0.000 0.000 0.214 105 N C -0.788 174.773 175.510 0.086 0.000 1.132 105 N CA 0.303 53.395 53.050 0.070 0.000 0.856 105 N CB 1.127 39.651 38.487 0.063 0.000 1.020 105 N HN 0.134 nan 8.380 nan 0.000 0.509 106 V N 0.552 120.548 119.914 0.137 0.000 2.349 106 V HA 0.536 4.656 4.120 0.000 0.000 0.284 106 V C 0.620 176.820 176.094 0.177 0.000 1.014 106 V CA -1.121 61.290 62.300 0.184 0.000 0.826 106 V CB 1.209 33.198 31.823 0.277 0.000 1.009 106 V HN 0.087 nan 8.190 nan 0.000 0.431 107 G N 3.272 112.129 108.800 0.096 0.000 2.415 107 G HA2 0.489 4.449 3.960 0.000 0.000 0.269 107 G HA3 0.489 4.449 3.960 0.000 0.000 0.269 107 G C -1.368 173.592 174.900 0.101 0.000 1.209 107 G CA -0.274 44.847 45.100 0.035 0.000 0.835 107 G HN 0.832 nan 8.290 nan 0.000 0.534 108 W N 2.528 123.676 121.300 -0.254 0.000 3.707 108 W HA 0.391 5.051 4.660 -0.000 0.000 0.294 108 W C -0.128 176.237 176.519 -0.256 0.000 1.248 108 W CA -0.912 56.286 57.345 -0.245 0.000 1.217 108 W CB 0.575 29.819 29.460 -0.360 0.000 1.306 108 W HN 0.812 nan 8.180 nan 0.000 0.532 109 N N 5.010 123.074 118.700 -1.060 0.000 2.667 109 N HA -0.335 4.405 4.740 0.000 0.000 0.263 109 N C 0.161 175.320 175.510 -0.586 0.000 1.038 109 N CA 1.634 54.040 53.050 -1.074 0.000 0.749 109 N CB -0.847 36.433 38.487 -2.012 0.000 0.892 109 N HN 0.897 nan 8.380 nan 0.000 0.546 110 N N -1.351 117.132 118.700 -0.361 0.000 2.753 110 N HA -0.223 4.517 4.740 0.000 0.000 0.251 110 N C -0.526 174.871 175.510 -0.189 0.000 1.097 110 N CA 1.366 54.277 53.050 -0.231 0.000 0.786 110 N CB -0.876 37.489 38.487 -0.205 0.000 1.137 110 N HN 0.584 nan 8.380 nan 0.000 0.566 111 S N -2.562 113.015 115.700 -0.205 0.000 2.873 111 S HA 0.751 5.222 4.470 0.000 0.000 0.303 111 S C -0.744 173.770 174.600 -0.144 0.000 1.222 111 S CA 0.033 58.145 58.200 -0.145 0.000 0.923 111 S CB 0.945 64.063 63.200 -0.136 0.000 1.286 111 S HN 0.321 nan 8.310 nan 0.000 0.571 112 T N -1.033 113.447 114.554 -0.123 0.000 2.724 112 T HA 0.666 5.016 4.350 0.000 0.000 0.274 112 T C -0.195 174.394 174.700 -0.185 0.000 0.984 112 T CA -0.393 61.635 62.100 -0.121 0.000 1.024 112 T CB 0.397 69.262 68.868 -0.005 0.000 1.320 112 T HN 0.334 nan 8.240 nan 0.000 0.555 113 F N 0.903 120.895 119.950 0.069 0.000 2.765 113 F HA 0.580 5.107 4.527 0.000 0.000 0.302 113 F C 1.792 177.604 175.800 0.020 0.000 1.111 113 F CA -0.333 57.687 58.000 0.034 0.000 1.359 113 F CB -0.542 38.442 39.000 -0.026 0.000 1.097 113 F HN 0.801 nan 8.300 nan 0.000 0.577 114 A N 0.000 122.914 122.820 0.157 0.000 2.254 114 A HA 0.000 4.320 4.320 0.000 0.000 0.244 114 A CA 0.000 52.099 52.037 0.103 0.000 0.836 114 A CB 0.000 19.042 19.000 0.070 0.000 0.831 114 A HN 0.000 nan 8.150 nan 0.000 0.486