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 3dji_1_F 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 0.000 177.299 177.300 -0.001 0.000 1.155 1 P CA 0.000 63.057 63.100 -0.071 0.000 0.800 1 P CB 0.000 31.670 31.700 -0.051 0.000 0.726 2 M N 2.075 121.717 119.600 0.071 0.000 2.259 2 M HA 0.646 5.127 4.480 0.000 0.000 0.304 2 M C -1.926 174.514 176.300 0.234 0.000 1.019 2 M CA -0.679 54.691 55.300 0.117 0.000 0.922 2 M CB 1.486 34.120 32.600 0.057 0.000 1.600 2 M HN 0.425 nan 8.290 nan 0.000 0.433 3 F N 6.381 126.357 119.950 0.044 0.000 2.507 3 F HA 0.667 5.195 4.527 0.001 0.000 0.328 3 F C -1.817 174.015 175.800 0.053 0.000 1.136 3 F CA -0.804 57.215 58.000 0.031 0.000 0.930 3 F CB 0.984 39.969 39.000 -0.025 0.000 1.166 3 F HN 0.430 nan 8.300 nan 0.000 0.436 4 I N 6.606 126.775 120.570 -0.669 0.000 2.509 4 I HA 0.571 4.741 4.170 0.000 0.000 0.293 4 I C -0.971 174.673 176.117 -0.788 0.000 1.020 4 I CA -1.026 59.942 61.300 -0.553 0.000 1.088 4 I CB 1.963 39.816 38.000 -0.246 0.000 1.267 4 I HN 0.412 nan 8.210 nan 0.000 0.430 5 V N 6.744 126.328 119.914 -0.549 0.000 2.525 5 V HA 0.590 4.710 4.120 0.000 0.000 0.299 5 V C -1.250 174.724 176.094 -0.199 0.000 1.034 5 V CA -0.284 61.814 62.300 -0.337 0.000 0.863 5 V CB 1.628 33.359 31.823 -0.152 0.000 0.999 5 V HN 0.761 nan 8.190 nan 0.000 0.423 6 N N 4.069 122.688 118.700 -0.136 0.000 2.400 6 N HA 0.585 5.325 4.740 0.000 0.000 0.288 6 N C -0.786 174.706 175.510 -0.030 0.000 1.024 6 N CA -0.204 52.791 53.050 -0.091 0.000 0.894 6 N CB 2.114 40.556 38.487 -0.076 0.000 1.173 6 N HN 0.824 nan 8.380 nan 0.000 0.487 7 T N -0.099 114.444 114.554 -0.019 0.000 2.853 7 T HA 0.175 4.525 4.350 0.000 0.000 0.311 7 T C 0.091 174.789 174.700 -0.003 0.000 1.307 7 T CA -0.688 61.411 62.100 -0.002 0.000 1.019 7 T CB 0.768 69.635 68.868 -0.002 0.000 1.264 7 T HN 0.560 nan 8.240 nan 0.000 0.497 8 N N 1.773 120.474 118.700 0.001 0.000 2.398 8 N HA 0.069 4.809 4.740 0.000 0.000 0.188 8 N C 0.506 176.010 175.510 -0.011 0.000 1.122 8 N CA 0.001 53.050 53.050 -0.001 0.000 0.866 8 N CB -0.339 38.152 38.487 0.007 0.000 0.970 8 N HN 0.319 nan 8.380 nan 0.000 0.462 9 V N 2.340 122.241 119.914 -0.021 0.000 2.673 9 V HA 0.101 4.221 4.120 0.000 0.000 0.303 9 V C -1.894 174.182 176.094 -0.030 0.000 1.046 9 V CA -0.962 61.317 62.300 -0.034 0.000 1.126 9 V CB 0.564 32.354 31.823 -0.055 0.000 0.934 9 V HN 0.131 nan 8.190 nan 0.000 0.487 10 P HA 0.107 nan 4.420 nan 0.000 0.269 10 P C 0.499 177.785 177.300 -0.024 0.000 1.215 10 P CA -0.259 62.828 63.100 -0.022 0.000 0.780 10 P CB 0.529 32.216 31.700 -0.021 0.000 0.898 11 R N 3.702 124.196 120.500 -0.011 0.000 2.083 11 R HA -0.176 4.164 4.340 0.000 0.000 0.237 11 R C 1.893 178.185 176.300 -0.012 0.000 1.137 11 R CA 2.383 58.481 56.100 -0.003 0.000 0.951 11 R CB -1.543 28.763 30.300 0.010 0.000 0.851 11 R HN 0.503 nan 8.270 nan 0.000 0.434 12 A N -0.665 122.147 122.820 -0.013 0.000 2.125 12 A HA -0.071 4.249 4.320 0.000 0.000 0.219 12 A C 1.936 179.500 177.584 -0.032 0.000 1.156 12 A CA 1.734 53.761 52.037 -0.016 0.000 0.671 12 A CB -0.407 18.586 19.000 -0.012 0.000 0.794 12 A HN 0.422 nan 8.150 nan 0.000 0.459 13 S N -0.805 114.867 115.700 -0.047 0.000 2.593 13 S HA 0.162 4.632 4.470 0.000 0.000 0.217 13 S C 0.360 174.887 174.600 -0.123 0.000 0.966 13 S CA -0.033 58.123 58.200 -0.073 0.000 0.914 13 S CB 0.024 63.180 63.200 -0.072 0.000 0.776 13 S HN 0.230 nan 8.310 nan 0.000 0.523 14 V N 5.324 125.170 119.914 -0.113 0.000 2.385 14 V HA 0.265 4.385 4.120 0.000 0.000 0.269 14 V C -1.982 174.052 176.094 -0.100 0.000 1.043 14 V CA -2.142 60.052 62.300 -0.177 0.000 0.906 14 V CB 0.696 32.472 31.823 -0.079 0.000 0.995 14 V HN 0.194 nan 8.190 nan 0.000 0.467 15 P HA 0.162 nan 4.420 nan 0.000 0.271 15 P C -0.664 176.680 177.300 0.073 0.000 1.216 15 P CA -0.418 62.670 63.100 -0.019 0.000 0.776 15 P CB 0.765 32.450 31.700 -0.024 0.000 0.881 16 D N 1.382 121.819 120.400 0.061 0.000 2.458 16 D HA 0.326 4.966 4.640 0.000 0.000 0.243 16 D C 1.585 177.946 176.300 0.102 0.000 1.146 16 D CA 1.317 55.363 54.000 0.077 0.000 0.877 16 D CB -0.286 40.544 40.800 0.049 0.000 1.176 16 D HN 0.704 nan 8.370 nan 0.000 0.461 17 G N 1.284 110.153 108.800 0.115 0.000 2.175 17 G HA2 -0.371 3.589 3.960 0.000 0.000 0.244 17 G HA3 -0.371 3.589 3.960 0.000 0.000 0.244 17 G C 0.810 175.804 174.900 0.156 0.000 0.982 17 G CA 0.099 45.263 45.100 0.106 0.000 0.641 17 G HN 0.456 nan 8.290 nan 0.000 0.527 18 F N 1.011 120.980 119.950 0.032 0.000 2.095 18 F HA 0.066 4.593 4.527 -0.000 0.000 0.298 18 F C 2.402 178.233 175.800 0.053 0.000 1.104 18 F CA 2.242 60.266 58.000 0.041 0.000 1.232 18 F CB -0.414 38.613 39.000 0.045 0.000 0.987 18 F HN 0.163 nan 8.300 nan 0.000 0.475 19 L N -0.156 121.075 121.223 0.012 0.000 2.046 19 L HA -0.213 4.127 4.340 0.000 0.000 0.208 19 L C 2.612 179.435 176.870 -0.078 0.000 1.077 19 L CA 1.935 56.728 54.840 -0.078 0.000 0.747 19 L CB -1.462 40.612 42.059 0.026 0.000 0.896 19 L HN 0.049 nan 8.230 nan 0.000 0.432 20 S N -0.888 114.799 115.700 -0.022 0.000 2.370 20 S HA -0.277 4.193 4.470 0.000 0.000 0.226 20 S C 1.944 176.516 174.600 -0.048 0.000 1.033 20 S CA 1.568 59.757 58.200 -0.019 0.000 1.011 20 S CB -0.297 62.908 63.200 0.008 0.000 0.852 20 S HN 0.549 nan 8.310 nan 0.000 0.457 21 E N 1.025 121.191 120.200 -0.058 0.000 2.051 21 E HA -0.120 4.230 4.350 0.000 0.000 0.192 21 E C 2.048 178.563 176.600 -0.141 0.000 0.991 21 E CA 0.871 57.230 56.400 -0.070 0.000 0.799 21 E CB -0.211 29.478 29.700 -0.018 0.000 0.748 21 E HN 0.412 nan 8.360 nan 0.000 0.449 22 L N 0.520 121.585 121.223 -0.263 0.000 2.042 22 L HA -0.204 4.136 4.340 0.000 0.000 0.210 22 L C 2.649 179.418 176.870 -0.168 0.000 1.076 22 L CA 1.742 56.414 54.840 -0.278 0.000 0.749 22 L CB -0.512 41.342 42.059 -0.343 0.000 0.893 22 L HN 0.282 nan 8.230 nan 0.000 0.432 23 T N -1.069 113.419 114.554 -0.110 0.000 2.674 23 T HA -0.273 4.077 4.350 0.000 0.000 0.265 23 T C 2.210 176.871 174.700 -0.064 0.000 1.039 23 T CA 1.888 63.948 62.100 -0.067 0.000 1.150 23 T CB -0.446 68.398 68.868 -0.040 0.000 0.864 23 T HN 0.539 nan 8.240 nan 0.000 0.427 24 Q N 1.517 121.282 119.800 -0.058 0.000 2.020 24 Q HA -0.174 4.166 4.340 0.000 0.000 0.202 24 Q C 2.253 178.224 176.000 -0.047 0.000 0.982 24 Q CA 1.575 57.352 55.803 -0.044 0.000 0.838 24 Q CB -1.037 27.681 28.738 -0.033 0.000 0.899 24 Q HN 0.477 nan 8.270 nan 0.000 0.423 25 Q N -0.166 119.595 119.800 -0.064 0.000 2.135 25 Q HA -0.038 4.302 4.340 0.000 0.000 0.204 25 Q C 2.243 178.203 176.000 -0.066 0.000 0.981 25 Q CA 1.381 57.147 55.803 -0.061 0.000 0.856 25 Q CB -0.176 28.514 28.738 -0.080 0.000 0.902 25 Q HN 0.708 nan 8.270 nan 0.000 0.425 26 L N -0.318 120.843 121.223 -0.104 0.000 2.095 26 L HA -0.090 4.250 4.340 0.000 0.000 0.204 26 L C 2.448 179.289 176.870 -0.048 0.000 1.080 26 L CA 0.826 55.599 54.840 -0.113 0.000 0.759 26 L CB -0.581 41.375 42.059 -0.172 0.000 0.914 26 L HN 0.101 nan 8.230 nan 0.000 0.439 27 A N -0.732 122.065 122.820 -0.039 0.000 1.917 27 A HA -0.282 4.038 4.320 0.000 0.000 0.219 27 A C 2.254 179.840 177.584 0.003 0.000 1.182 27 A CA 1.607 53.634 52.037 -0.016 0.000 0.633 27 A CB -0.543 18.444 19.000 -0.022 0.000 0.819 27 A HN 0.389 nan 8.150 nan 0.000 0.448 28 Q N -0.686 119.113 119.800 -0.002 0.000 2.045 28 Q HA -0.207 4.133 4.340 0.000 0.000 0.206 28 Q C 2.422 178.445 176.000 0.037 0.000 0.991 28 Q CA 2.084 57.892 55.803 0.009 0.000 0.851 28 Q CB -0.568 28.169 28.738 -0.001 0.000 0.911 28 Q HN 0.649 nan 8.270 nan 0.000 0.418 29 A N -0.048 122.821 122.820 0.081 0.000 1.929 29 A HA -0.113 4.207 4.320 0.000 0.000 0.216 29 A C 2.186 179.924 177.584 0.257 0.000 1.176 29 A CA 2.018 54.167 52.037 0.186 0.000 0.628 29 A CB -0.609 18.638 19.000 0.411 0.000 0.816 29 A HN 0.569 nan 8.150 nan 0.000 0.444 30 T N -4.286 110.396 114.554 0.213 0.000 2.978 30 T HA 0.350 4.700 4.350 0.000 0.000 0.262 30 T C 1.457 176.214 174.700 0.094 0.000 1.063 30 T CA 1.228 63.438 62.100 0.182 0.000 1.140 30 T CB -0.350 68.553 68.868 0.059 0.000 0.886 30 T HN 1.731 nan 8.240 nan 0.000 0.470 31 G N 1.677 110.513 108.800 0.060 0.000 2.182 31 G HA2 -0.193 3.767 3.960 0.000 0.000 0.248 31 G HA3 -0.193 3.767 3.960 0.000 0.000 0.248 31 G C -0.256 174.668 174.900 0.040 0.000 1.042 31 G CA 0.004 45.127 45.100 0.039 0.000 0.775 31 G HN 0.691 nan 8.290 nan 0.000 0.501 32 K N 0.786 121.210 120.400 0.040 0.000 2.259 32 K HA 0.462 4.782 4.320 0.000 0.000 0.252 32 K C -2.455 174.171 176.600 0.044 0.000 0.936 32 K CA -2.136 54.188 56.287 0.061 0.000 0.810 32 K CB 2.632 35.168 32.500 0.060 0.000 1.143 32 K HN 0.022 nan 8.250 nan 0.000 0.427 33 P HA -0.046 nan 4.420 nan 0.000 0.258 33 P C -2.050 175.194 177.300 -0.095 0.000 1.187 33 P CA -0.744 62.320 63.100 -0.060 0.000 0.767 33 P CB 0.169 31.773 31.700 -0.160 0.000 0.770 34 P HA -0.241 nan 4.420 nan 0.000 0.218 34 P C 1.415 178.659 177.300 -0.093 0.000 1.147 34 P CA 1.603 64.665 63.100 -0.063 0.000 0.827 34 P CB -0.145 31.524 31.700 -0.053 0.000 0.778 35 Q N -1.237 118.451 119.800 -0.187 0.000 2.248 35 Q HA -0.179 4.161 4.340 0.000 0.000 0.208 35 Q C 1.350 177.202 176.000 -0.247 0.000 0.984 35 Q CA 1.505 57.149 55.803 -0.264 0.000 0.875 35 Q CB -1.104 27.364 28.738 -0.450 0.000 0.910 35 Q HN 0.482 nan 8.270 nan 0.000 0.433 36 Y N -0.172 120.078 120.300 -0.084 0.000 2.524 36 Y HA 0.230 4.780 4.550 0.000 0.000 0.266 36 Y C 0.500 176.314 175.900 -0.142 0.000 1.180 36 Y CA -0.963 57.038 58.100 -0.165 0.000 1.244 36 Y CB 0.615 38.938 38.460 -0.227 0.000 1.125 36 Y HN -0.041 nan 8.280 nan 0.000 0.524 37 I N 1.391 121.976 120.570 0.026 0.000 2.312 37 I HA 0.395 4.565 4.170 0.000 0.000 0.291 37 I C 0.325 176.453 176.117 0.019 0.000 1.031 37 I CA -0.874 60.433 61.300 0.012 0.000 1.293 37 I CB 0.408 38.405 38.000 -0.005 0.000 1.403 37 I HN 0.015 nan 8.210 nan 0.000 0.484 38 A N 7.524 130.364 122.820 0.032 0.000 2.303 38 A HA 0.740 5.060 4.320 0.000 0.000 0.320 38 A C -0.343 177.291 177.584 0.083 0.000 1.192 38 A CA -0.512 51.551 52.037 0.043 0.000 0.821 38 A CB 1.312 20.329 19.000 0.030 0.000 1.188 38 A HN 0.552 nan 8.150 nan 0.000 0.492 39 V N 0.576 120.541 119.914 0.085 0.000 2.715 39 V HA 0.759 4.879 4.120 0.000 0.000 0.310 39 V C -0.494 175.690 176.094 0.149 0.000 1.054 39 V CA -0.554 61.826 62.300 0.134 0.000 0.928 39 V CB 1.487 33.373 31.823 0.105 0.000 1.007 39 V HN 1.020 nan 8.190 nan 0.000 0.437 40 H N 2.005 121.076 119.070 0.002 0.000 3.017 40 H HA 0.754 5.310 4.556 -0.000 0.000 0.340 40 H C -2.101 173.210 175.328 -0.029 0.000 1.014 40 H CA -0.642 55.396 56.048 -0.016 0.000 1.341 40 H CB 2.305 32.043 29.762 -0.040 0.000 1.739 40 H HN 0.712 nan 8.280 nan 0.000 0.506 41 V N 6.049 126.058 119.914 0.159 0.000 2.487 41 V HA 0.256 4.376 4.120 0.000 0.000 0.298 41 V C -0.446 175.655 176.094 0.012 0.000 1.028 41 V CA -0.770 61.559 62.300 0.049 0.000 0.860 41 V CB 1.657 33.603 31.823 0.204 0.000 0.991 41 V HN 0.519 nan 8.190 nan 0.000 0.427 42 V N 7.487 127.340 119.914 -0.102 0.000 2.284 42 V HA 0.406 4.526 4.120 0.000 0.000 0.274 42 V C -2.035 174.042 176.094 -0.028 0.000 1.023 42 V CA -1.279 60.980 62.300 -0.069 0.000 0.808 42 V CB 1.481 33.209 31.823 -0.160 0.000 1.035 42 V HN 0.716 nan 8.190 nan 0.000 0.445 43 P HA 0.343 nan 4.420 nan 0.000 0.297 43 P C -0.306 176.993 177.300 -0.000 0.000 1.307 43 P CA -0.156 62.944 63.100 0.000 0.000 0.773 43 P CB 0.822 32.525 31.700 0.005 0.000 1.265 44 D N -2.305 118.093 120.400 -0.003 0.000 2.811 44 D HA -0.124 4.516 4.640 0.000 0.000 0.231 44 D C -0.003 176.298 176.300 0.001 0.000 1.157 44 D CA 1.038 55.038 54.000 -0.001 0.000 0.716 44 D CB -0.675 40.127 40.800 0.003 0.000 1.077 44 D HN 0.374 nan 8.370 nan 0.000 0.428 45 Q N -0.093 119.707 119.800 -0.000 0.000 2.260 45 Q HA 0.431 4.771 4.340 0.000 0.000 0.238 45 Q C 0.316 176.321 176.000 0.007 0.000 0.948 45 Q CA -0.658 55.146 55.803 0.002 0.000 0.895 45 Q CB 1.228 29.964 28.738 -0.002 0.000 1.218 45 Q HN 0.223 nan 8.270 nan 0.000 0.470 46 L N 3.865 125.093 121.223 0.009 0.000 2.288 46 L HA 0.355 4.696 4.340 0.000 0.000 0.283 46 L C -0.629 176.251 176.870 0.017 0.000 1.072 46 L CA 0.407 55.254 54.840 0.011 0.000 0.862 46 L CB -0.326 41.739 42.059 0.009 0.000 1.245 46 L HN 0.623 nan 8.230 nan 0.000 0.432 47 M N 3.389 123.004 119.600 0.025 0.000 2.755 47 M HA 0.997 5.477 4.480 0.000 0.000 0.273 47 M C -1.306 175.024 176.300 0.050 0.000 1.278 47 M CA -0.835 54.487 55.300 0.037 0.000 0.819 47 M CB 2.051 34.680 32.600 0.048 0.000 1.694 47 M HN 0.344 nan 8.290 nan 0.000 0.460 48 A N 0.814 123.673 122.820 0.065 0.000 2.572 48 A HA 0.885 5.205 4.320 0.000 0.000 0.295 48 A C -2.332 175.328 177.584 0.128 0.000 1.072 48 A CA -0.513 51.574 52.037 0.084 0.000 0.691 48 A CB 1.918 20.946 19.000 0.047 0.000 1.291 48 A HN 0.833 nan 8.150 nan 0.000 0.404 49 F N 1.258 121.206 119.950 -0.004 0.000 2.539 49 F HA 0.553 5.081 4.527 0.001 0.000 0.328 49 F C 0.947 176.740 175.800 -0.011 0.000 1.148 49 F CA 0.398 58.391 58.000 -0.012 0.000 0.940 49 F CB 1.848 40.813 39.000 -0.058 0.000 1.194 49 F HN 1.629 nan 8.300 nan 0.000 0.438 50 G N 3.270 112.035 108.800 -0.058 0.000 2.198 50 G HA2 0.048 4.008 3.960 0.000 0.000 0.260 50 G HA3 0.048 4.008 3.960 0.000 0.000 0.260 50 G C 1.137 176.067 174.900 0.051 0.000 1.025 50 G CA 0.725 45.849 45.100 0.039 0.000 0.769 50 G HN 2.217 nan 8.290 nan 0.000 0.507 51 G N -1.872 106.945 108.800 0.028 0.000 2.205 51 G HA2 0.035 3.995 3.960 0.000 0.000 0.261 51 G HA3 0.035 3.995 3.960 0.000 0.000 0.261 51 G C 0.722 175.648 174.900 0.042 0.000 0.980 51 G CA 1.562 46.678 45.100 0.028 0.000 0.632 51 G HN 2.389 nan 8.290 nan 0.000 0.533 52 S N -0.726 115.015 115.700 0.068 0.000 2.608 52 S HA 0.713 5.183 4.470 0.000 0.000 0.291 52 S C 0.911 175.549 174.600 0.063 0.000 1.146 52 S CA 0.715 58.950 58.200 0.059 0.000 1.043 52 S CB 1.942 65.177 63.200 0.058 0.000 1.037 52 S HN 0.496 nan 8.310 nan 0.000 0.520 53 S N 2.216 117.940 115.700 0.040 0.000 2.583 53 S HA 0.219 4.689 4.470 0.000 0.000 0.239 53 S C -0.042 174.570 174.600 0.021 0.000 0.966 53 S CA -0.414 57.806 58.200 0.034 0.000 0.973 53 S CB -0.196 63.018 63.200 0.022 0.000 0.794 53 S HN 0.667 nan 8.310 nan 0.000 0.463 54 E N 2.716 122.926 120.200 0.017 0.000 2.390 54 E HA 0.194 4.544 4.350 0.000 0.000 0.261 54 E C -2.522 174.068 176.600 -0.017 0.000 1.076 54 E CA -2.555 53.841 56.400 -0.006 0.000 0.905 54 E CB -0.236 29.454 29.700 -0.016 0.000 0.984 54 E HN 0.042 nan 8.360 nan 0.000 0.427 55 P HA -0.132 nan 4.420 nan 0.000 0.261 55 P C -0.438 176.820 177.300 -0.069 0.000 1.158 55 P CA 0.546 63.619 63.100 -0.044 0.000 0.758 55 P CB 0.197 31.864 31.700 -0.054 0.000 0.763 56 C N 1.163 120.433 119.300 -0.049 0.000 3.320 56 C HA 0.945 5.405 4.460 0.000 0.000 0.335 56 C C -1.216 173.769 174.990 -0.009 0.000 1.430 56 C CA -0.819 58.156 59.018 -0.072 0.000 1.271 56 C CB 1.201 28.943 27.740 0.003 0.000 1.609 56 C HN 0.705 nan 8.230 nan 0.000 0.457 57 A N 0.612 123.441 122.820 0.015 0.000 2.589 57 A HA 0.806 5.126 4.320 0.000 0.000 0.296 57 A C -1.740 175.909 177.584 0.109 0.000 1.062 57 A CA -0.475 51.592 52.037 0.050 0.000 0.686 57 A CB 0.972 19.994 19.000 0.037 0.000 1.282 57 A HN 1.194 nan 8.150 nan 0.000 0.404 58 L N 1.429 122.706 121.223 0.089 0.000 2.343 58 L HA 0.576 4.916 4.340 0.000 0.000 0.278 58 L C -0.692 176.183 176.870 0.008 0.000 0.996 58 L CA -0.513 54.390 54.840 0.105 0.000 0.831 58 L CB 1.329 43.451 42.059 0.104 0.000 1.232 58 L HN 0.813 nan 8.230 nan 0.000 0.413 59 C N 0.857 120.154 119.300 -0.004 0.000 2.973 59 C HA 0.908 5.368 4.460 0.000 0.000 0.329 59 C C 0.166 175.089 174.990 -0.112 0.000 1.327 59 C CA -0.833 58.101 59.018 -0.139 0.000 1.632 59 C CB 1.951 29.607 27.740 -0.140 0.000 2.098 59 C HN 0.838 nan 8.230 nan 0.000 0.469 60 S N 0.167 115.763 115.700 -0.173 0.000 2.536 60 S HA 0.767 5.237 4.470 0.000 0.000 0.271 60 S C -1.544 173.068 174.600 0.019 0.000 1.134 60 S CA -0.523 57.649 58.200 -0.047 0.000 0.897 60 S CB 1.485 64.760 63.200 0.125 0.000 1.094 60 S HN 0.881 nan 8.310 nan 0.000 0.473 61 L N 2.539 123.766 121.223 0.007 0.000 2.372 61 L HA 0.667 5.007 4.340 0.000 0.000 0.274 61 L C -1.579 175.340 176.870 0.083 0.000 0.988 61 L CA -0.094 54.839 54.840 0.156 0.000 0.833 61 L CB 1.080 43.228 42.059 0.148 0.000 1.236 61 L HN 0.958 nan 8.230 nan 0.000 0.410 62 H N 2.644 121.812 119.070 0.163 0.000 2.472 62 H HA 0.875 5.431 4.556 -0.000 0.000 0.338 62 H C -0.663 174.683 175.328 0.029 0.000 1.133 62 H CA -0.443 55.681 56.048 0.126 0.000 1.216 62 H CB 1.923 31.698 29.762 0.022 0.000 1.497 62 H HN 0.608 nan 8.280 nan 0.000 0.500 63 S N 1.322 117.082 115.700 0.099 0.000 2.558 63 S HA 0.324 4.794 4.470 0.000 0.000 0.277 63 S C -1.130 173.453 174.600 -0.028 0.000 1.143 63 S CA -0.753 57.433 58.200 -0.024 0.000 0.865 63 S CB 0.797 63.981 63.200 -0.026 0.000 1.102 63 S HN 0.518 nan 8.310 nan 0.000 0.454 64 I N 3.812 124.312 120.570 -0.116 0.000 2.329 64 I HA 0.495 4.665 4.170 0.000 0.000 0.295 64 I C 1.012 177.096 176.117 -0.055 0.000 1.109 64 I CA 0.828 62.073 61.300 -0.092 0.000 1.297 64 I CB -0.137 37.756 38.000 -0.178 0.000 1.433 64 I HN 0.916 nan 8.210 nan 0.000 0.509 65 G N 5.311 114.107 108.800 -0.007 0.000 2.795 65 G HA2 -0.187 3.773 3.960 0.000 0.000 0.664 65 G HA3 -0.187 3.773 3.960 0.000 0.000 0.664 65 G C 0.117 175.033 174.900 0.027 0.000 1.381 65 G CA -0.739 44.365 45.100 0.007 0.000 0.853 65 G HN 0.595 nan 8.290 nan 0.000 0.545 66 K N -2.029 118.395 120.400 0.039 0.000 3.251 66 K HA -0.145 4.175 4.320 0.000 0.000 0.282 66 K C 0.136 176.819 176.600 0.139 0.000 1.201 66 K CA 1.473 57.810 56.287 0.083 0.000 0.827 66 K CB -1.703 30.866 32.500 0.116 0.000 1.286 66 K HN 1.074 nan 8.250 nan 0.000 0.503 67 I N 0.429 121.042 120.570 0.072 0.000 2.439 67 I HA 0.557 4.728 4.170 0.000 0.000 0.283 67 I C 0.849 176.960 176.117 -0.011 0.000 1.023 67 I CA -0.351 60.982 61.300 0.055 0.000 1.100 67 I CB 1.579 39.615 38.000 0.060 0.000 1.238 67 I HN 0.221 nan 8.210 nan 0.000 0.445 68 G N 2.834 111.595 108.800 -0.065 0.000 2.684 68 G HA2 0.512 4.472 3.960 0.000 0.000 0.290 68 G HA3 0.512 4.472 3.960 0.000 0.000 0.290 68 G C 0.530 175.361 174.900 -0.116 0.000 1.425 68 G CA -0.071 44.982 45.100 -0.078 0.000 0.822 68 G HN 0.576 nan 8.290 nan 0.000 0.482 69 G N 0.107 108.854 108.800 -0.089 0.000 2.459 69 G HA2 0.107 4.067 3.960 0.000 0.000 0.217 69 G HA3 0.107 4.067 3.960 0.000 0.000 0.217 69 G C 2.010 176.841 174.900 -0.115 0.000 1.183 69 G CA 2.085 47.132 45.100 -0.089 0.000 0.776 69 G HN 1.278 nan 8.290 nan 0.000 0.552 70 A N 0.502 123.256 122.820 -0.109 0.000 1.865 70 A HA -0.140 4.180 4.320 0.000 0.000 0.217 70 A C 2.371 179.837 177.584 -0.197 0.000 1.191 70 A CA 2.096 54.058 52.037 -0.124 0.000 0.623 70 A CB -0.585 18.354 19.000 -0.101 0.000 0.826 70 A HN 0.472 nan 8.150 nan 0.000 0.444 71 Q N -0.558 119.095 119.800 -0.244 0.000 2.084 71 Q HA -0.165 4.176 4.340 0.000 0.000 0.202 71 Q C 1.805 177.466 176.000 -0.566 0.000 0.978 71 Q CA 1.382 56.928 55.803 -0.429 0.000 0.844 71 Q CB -0.277 28.249 28.738 -0.353 0.000 0.898 71 Q HN 0.626 nan 8.270 nan 0.000 0.426 72 N N 0.711 119.172 118.700 -0.399 0.000 2.223 72 N HA -0.106 4.634 4.740 0.000 0.000 0.185 72 N C 1.524 176.850 175.510 -0.307 0.000 1.016 72 N CA 0.974 53.691 53.050 -0.555 0.000 0.863 72 N CB -0.137 37.921 38.487 -0.714 0.000 0.983 72 N HN 0.217 nan 8.380 nan 0.000 0.429 73 R N 0.241 120.621 120.500 -0.199 0.000 2.092 73 R HA 0.078 4.418 4.340 0.000 0.000 0.231 73 R C 2.102 178.350 176.300 -0.087 0.000 1.119 73 R CA 1.138 57.185 56.100 -0.089 0.000 0.970 73 R CB -0.135 30.119 30.300 -0.076 0.000 0.864 73 R HN 0.142 nan 8.270 nan 0.000 0.440 74 S N 0.004 115.589 115.700 -0.192 0.000 2.383 74 S HA -0.111 4.359 4.470 0.000 0.000 0.227 74 S C 1.553 176.092 174.600 -0.102 0.000 1.026 74 S CA 1.047 59.135 58.200 -0.188 0.000 0.981 74 S CB -0.240 62.774 63.200 -0.310 0.000 0.818 74 S HN 0.284 nan 8.310 nan 0.000 0.472 75 Y N 2.253 122.516 120.300 -0.061 0.000 2.200 75 Y HA -0.043 4.507 4.550 0.000 0.000 0.290 75 Y C 2.891 178.845 175.900 0.091 0.000 1.137 75 Y CA 0.389 58.491 58.100 0.004 0.000 1.163 75 Y CB -1.089 37.390 38.460 0.032 0.000 0.988 75 Y HN 0.163 nan 8.280 nan 0.000 0.518 76 S N -0.101 115.778 115.700 0.299 0.000 2.356 76 S HA -0.226 4.244 4.470 0.000 0.000 0.223 76 S C 2.075 176.759 174.600 0.141 0.000 1.032 76 S CA 1.538 59.895 58.200 0.262 0.000 1.005 76 S CB -0.272 63.075 63.200 0.246 0.000 0.867 76 S HN 0.405 nan 8.310 nan 0.000 0.449 77 K N 0.796 121.248 120.400 0.086 0.000 2.009 77 K HA -0.135 4.185 4.320 0.000 0.000 0.210 77 K C 2.219 178.849 176.600 0.051 0.000 1.049 77 K CA 1.357 57.674 56.287 0.049 0.000 0.929 77 K CB -0.353 32.158 32.500 0.017 0.000 0.714 77 K HN 0.242 nan 8.250 nan 0.000 0.440 78 L N 1.715 122.972 121.223 0.057 0.000 1.989 78 L HA -0.174 4.166 4.340 0.000 0.000 0.211 78 L C 1.985 178.876 176.870 0.035 0.000 1.071 78 L CA 1.678 56.544 54.840 0.044 0.000 0.749 78 L CB -0.582 41.512 42.059 0.059 0.000 0.890 78 L HN 0.254 nan 8.230 nan 0.000 0.431 79 L N -1.521 119.731 121.223 0.049 0.000 2.056 79 L HA -0.234 4.106 4.340 0.000 0.000 0.207 79 L C 2.622 179.542 176.870 0.082 0.000 1.078 79 L CA 1.317 56.173 54.840 0.025 0.000 0.749 79 L CB -0.824 41.252 42.059 0.027 0.000 0.901 79 L HN 0.377 nan 8.230 nan 0.000 0.433 80 C N 0.115 119.466 119.300 0.086 0.000 2.440 80 C HA -0.072 4.388 4.460 0.000 0.000 0.278 80 C C 2.920 177.941 174.990 0.051 0.000 1.295 80 C CA 0.762 59.819 59.018 0.066 0.000 1.738 80 C CB -1.486 26.283 27.740 0.048 0.000 1.987 80 C HN 0.702 nan 8.230 nan 0.000 0.492 81 G N 0.554 109.382 108.800 0.046 0.000 2.446 81 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 81 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 81 G C 1.550 176.483 174.900 0.055 0.000 1.168 81 G CA 0.730 45.852 45.100 0.038 0.000 0.771 81 G HN 0.525 nan 8.290 nan 0.000 0.551 82 L N -0.178 121.090 121.223 0.076 0.000 2.056 82 L HA 0.013 4.353 4.340 0.000 0.000 0.207 82 L C 2.918 179.898 176.870 0.182 0.000 1.078 82 L CA 0.523 55.441 54.840 0.130 0.000 0.749 82 L CB -0.388 41.744 42.059 0.121 0.000 0.901 82 L HN 0.181 nan 8.230 nan 0.000 0.433 83 L N -0.504 120.818 121.223 0.165 0.000 2.093 83 L HA -0.179 4.161 4.340 0.000 0.000 0.208 83 L C 2.863 179.759 176.870 0.043 0.000 1.085 83 L CA 1.112 56.037 54.840 0.141 0.000 0.755 83 L CB -0.702 41.435 42.059 0.130 0.000 0.904 83 L HN 0.236 nan 8.230 nan 0.000 0.435 84 A N -0.392 122.445 122.820 0.028 0.000 1.898 84 A HA -0.231 4.089 4.320 0.000 0.000 0.216 84 A C 2.249 179.829 177.584 -0.007 0.000 1.181 84 A CA 1.716 53.750 52.037 -0.005 0.000 0.620 84 A CB -0.418 18.578 19.000 -0.007 0.000 0.819 84 A HN 0.416 nan 8.150 nan 0.000 0.442 85 E N -0.870 119.339 120.200 0.015 0.000 2.028 85 E HA -0.161 4.189 4.350 0.000 0.000 0.191 85 E C 2.333 178.929 176.600 -0.006 0.000 0.988 85 E CA 0.876 57.283 56.400 0.012 0.000 0.799 85 E CB 0.017 29.737 29.700 0.034 0.000 0.755 85 E HN 0.327 nan 8.360 nan 0.000 0.447 86 R N -0.096 120.404 120.500 0.000 0.000 2.100 86 R HA 0.046 4.386 4.340 0.000 0.000 0.220 86 R C 2.104 178.269 176.300 -0.226 0.000 1.091 86 R CA 0.739 56.782 56.100 -0.095 0.000 0.986 86 R CB -0.233 30.030 30.300 -0.062 0.000 0.888 86 R HN 0.286 nan 8.270 nan 0.000 0.444 87 L N 0.416 121.519 121.223 -0.201 0.000 2.693 87 L HA 0.296 4.636 4.340 0.000 0.000 0.235 87 L C -0.024 176.781 176.870 -0.109 0.000 1.127 87 L CA -0.187 54.533 54.840 -0.200 0.000 0.914 87 L CB 0.156 42.092 42.059 -0.205 0.000 1.193 87 L HN 0.081 nan 8.230 nan 0.000 0.502 88 R N 0.874 121.328 120.500 -0.077 0.000 3.422 88 R HA -0.152 4.188 4.340 0.000 0.000 0.267 88 R C -0.442 175.823 176.300 -0.059 0.000 1.074 88 R CA 0.576 56.641 56.100 -0.058 0.000 0.718 88 R CB -2.304 27.962 30.300 -0.056 0.000 1.157 88 R HN 0.322 nan 8.270 nan 0.000 0.440 89 I N 0.347 120.883 120.570 -0.057 0.000 2.354 89 I HA 0.117 4.287 4.170 0.000 0.000 0.292 89 I C 0.981 177.049 176.117 -0.081 0.000 0.989 89 I CA -0.380 60.878 61.300 -0.071 0.000 1.188 89 I CB 1.868 39.832 38.000 -0.060 0.000 1.342 89 I HN 0.055 nan 8.210 nan 0.000 0.457 90 S N 6.876 122.510 115.700 -0.110 0.000 2.549 90 S HA 0.178 4.648 4.470 0.000 0.000 0.283 90 S C -1.515 172.992 174.600 -0.155 0.000 1.320 90 S CA -1.002 57.127 58.200 -0.119 0.000 1.058 90 S CB 0.921 64.043 63.200 -0.131 0.000 0.882 90 S HN 0.365 nan 8.310 nan 0.000 0.498 91 P HA -0.119 nan 4.420 nan 0.000 0.218 91 P C 0.764 177.958 177.300 -0.178 0.000 1.148 91 P CA 1.067 64.105 63.100 -0.104 0.000 0.822 91 P CB -0.026 31.643 31.700 -0.051 0.000 0.784 92 D N -1.228 119.048 120.400 -0.206 0.000 2.378 92 D HA -0.115 4.525 4.640 0.000 0.000 0.227 92 D C 0.985 176.917 176.300 -0.613 0.000 1.012 92 D CA 0.603 54.447 54.000 -0.261 0.000 0.905 92 D CB -0.566 40.139 40.800 -0.158 0.000 0.895 92 D HN 0.190 nan 8.370 nan 0.000 0.532 93 R N 0.011 120.059 120.500 -0.753 0.000 2.700 93 R HA 0.352 4.692 4.340 0.000 0.000 0.377 93 R C -0.893 174.809 176.300 -0.997 0.000 1.130 93 R CA -0.236 55.008 56.100 -1.425 0.000 1.055 93 R CB 1.404 31.220 30.300 -0.806 0.000 1.387 93 R HN -0.019 nan 8.270 nan 0.000 0.580 94 V N 1.022 120.556 119.914 -0.634 0.000 2.638 94 V HA 0.397 4.517 4.120 0.000 0.000 0.306 94 V C -1.155 174.901 176.094 -0.063 0.000 1.052 94 V CA -0.907 61.268 62.300 -0.208 0.000 0.885 94 V CB 2.043 33.819 31.823 -0.078 0.000 0.999 94 V HN 0.074 nan 8.190 nan 0.000 0.424 95 Y N 4.165 124.571 120.300 0.178 0.000 2.446 95 Y HA 0.728 5.278 4.550 0.000 0.000 0.345 95 Y C -0.067 175.852 175.900 0.032 0.000 0.984 95 Y CA -1.517 56.666 58.100 0.138 0.000 1.058 95 Y CB 2.079 40.630 38.460 0.153 0.000 1.220 95 Y HN 0.437 nan 8.280 nan 0.000 0.455 96 I N 3.812 124.472 120.570 0.149 0.000 2.500 96 I HA 0.284 4.455 4.170 0.000 0.000 0.286 96 I C -0.949 174.956 176.117 -0.354 0.000 1.063 96 I CA -0.830 60.394 61.300 -0.127 0.000 1.062 96 I CB 1.464 39.322 38.000 -0.237 0.000 1.223 96 I HN 0.484 nan 8.210 nan 0.000 0.435 97 N N 5.542 124.044 118.700 -0.331 0.000 2.434 97 N HA 0.357 5.097 4.740 0.000 0.000 0.272 97 N C -1.230 173.888 175.510 -0.653 0.000 1.040 97 N CA -0.151 52.637 53.050 -0.437 0.000 0.956 97 N CB 0.937 39.231 38.487 -0.321 0.000 1.108 97 N HN 0.346 nan 8.380 nan 0.000 0.481 98 Y N 1.627 121.682 120.300 -0.408 0.000 2.342 98 Y HA 0.358 4.908 4.550 0.000 0.000 0.334 98 Y C -0.498 175.072 175.900 -0.548 0.000 1.067 98 Y CA -0.634 57.279 58.100 -0.313 0.000 1.128 98 Y CB 1.003 39.394 38.460 -0.116 0.000 1.200 98 Y HN 0.385 nan 8.280 nan 0.000 0.464 99 Y N 1.377 121.649 120.300 -0.048 0.000 2.338 99 Y HA 0.212 4.762 4.550 -0.000 0.000 0.333 99 Y C -0.512 175.399 175.900 0.018 0.000 0.968 99 Y CA -1.443 56.622 58.100 -0.059 0.000 1.123 99 Y CB 1.356 39.702 38.460 -0.190 0.000 1.165 99 Y HN 0.506 nan 8.280 nan 0.000 0.452 100 D N 4.536 125.030 120.400 0.158 0.000 2.441 100 D HA 0.180 4.820 4.640 0.000 0.000 0.221 100 D C -0.552 175.818 176.300 0.117 0.000 1.156 100 D CA -0.169 53.896 54.000 0.108 0.000 0.896 100 D CB 0.504 41.344 40.800 0.067 0.000 1.028 100 D HN 0.334 nan 8.370 nan 0.000 0.509 101 M N 2.549 122.217 119.600 0.112 0.000 2.185 101 M HA 0.184 4.664 4.480 0.000 0.000 0.357 101 M C 0.323 176.652 176.300 0.049 0.000 1.260 101 M CA -0.487 54.869 55.300 0.093 0.000 1.124 101 M CB 0.422 33.072 32.600 0.083 0.000 1.600 101 M HN 0.143 nan 8.290 nan 0.000 0.467 102 N N 1.850 120.583 118.700 0.055 0.000 2.497 102 N HA 0.174 4.914 4.740 0.000 0.000 0.268 102 N C 0.910 176.450 175.510 0.051 0.000 1.171 102 N CA 0.053 53.130 53.050 0.046 0.000 0.948 102 N CB 1.175 39.691 38.487 0.049 0.000 1.069 102 N HN 0.744 nan 8.380 nan 0.000 0.460 103 A N 2.723 125.572 122.820 0.049 0.000 2.032 103 A HA -0.209 4.111 4.320 0.000 0.000 0.221 103 A C 2.021 179.689 177.584 0.140 0.000 1.165 103 A CA 2.099 54.193 52.037 0.094 0.000 0.645 103 A CB -0.515 18.547 19.000 0.104 0.000 0.807 103 A HN 0.745 nan 8.150 nan 0.000 0.453 104 A N -0.200 122.677 122.820 0.095 0.000 2.015 104 A HA -0.108 4.212 4.320 0.000 0.000 0.219 104 A C 1.540 179.174 177.584 0.082 0.000 1.163 104 A CA 1.439 53.526 52.037 0.083 0.000 0.646 104 A CB -0.361 18.673 19.000 0.057 0.000 0.806 104 A HN 0.517 nan 8.150 nan 0.000 0.448 105 N N -0.319 118.428 118.700 0.078 0.000 2.314 105 N HA 0.152 4.892 4.740 0.000 0.000 0.200 105 N C -0.710 174.847 175.510 0.079 0.000 1.135 105 N CA 0.297 53.386 53.050 0.066 0.000 0.835 105 N CB 0.826 39.344 38.487 0.051 0.000 0.989 105 N HN 0.167 nan 8.380 nan 0.000 0.478 106 V N 0.506 120.502 119.914 0.136 0.000 2.326 106 V HA 0.518 4.638 4.120 0.000 0.000 0.281 106 V C 0.673 176.931 176.094 0.274 0.000 1.015 106 V CA -1.098 61.317 62.300 0.191 0.000 0.823 106 V CB 1.210 33.163 31.823 0.215 0.000 1.009 106 V HN 0.099 nan 8.190 nan 0.000 0.436 107 G N 3.341 112.251 108.800 0.183 0.000 2.444 107 G HA2 0.507 4.467 3.960 0.000 0.000 0.268 107 G HA3 0.507 4.467 3.960 0.000 0.000 0.268 107 G C -1.401 173.650 174.900 0.253 0.000 1.203 107 G CA -0.234 44.958 45.100 0.154 0.000 0.835 107 G HN 0.820 nan 8.290 nan 0.000 0.543 108 W N 2.183 123.416 121.300 -0.112 0.000 3.700 108 W HA 0.388 5.048 4.660 -0.000 0.000 0.279 108 W C -0.422 175.976 176.519 -0.203 0.000 1.270 108 W CA -1.037 56.211 57.345 -0.162 0.000 1.216 108 W CB 0.561 29.832 29.460 -0.315 0.000 1.292 108 W HN 0.732 nan 8.180 nan 0.000 0.557 109 N N 4.703 122.954 118.700 -0.748 0.000 2.705 109 N HA -0.276 4.464 4.740 0.000 0.000 0.255 109 N C 0.440 175.687 175.510 -0.439 0.000 1.008 109 N CA 1.931 54.500 53.050 -0.802 0.000 0.742 109 N CB -1.019 36.596 38.487 -1.454 0.000 0.906 109 N HN 0.674 nan 8.380 nan 0.000 0.541 110 N N -2.720 115.830 118.700 -0.249 0.000 2.857 110 N HA -0.226 4.515 4.740 0.000 0.000 0.242 110 N C -0.114 175.311 175.510 -0.141 0.000 0.983 110 N CA 1.538 54.491 53.050 -0.161 0.000 0.934 110 N CB -1.187 37.208 38.487 -0.153 0.000 1.115 110 N HN 0.639 nan 8.380 nan 0.000 0.593 111 S N -1.620 113.978 115.700 -0.170 0.000 3.144 111 S HA 0.715 5.185 4.470 0.000 0.000 0.325 111 S C -0.675 173.879 174.600 -0.077 0.000 1.161 111 S CA 0.329 58.458 58.200 -0.119 0.000 0.920 111 S CB 1.506 64.618 63.200 -0.146 0.000 1.340 111 S HN 0.313 nan 8.310 nan 0.000 0.681 112 T N -0.768 113.758 114.554 -0.046 0.000 2.930 112 T HA 0.619 4.969 4.350 0.000 0.000 0.290 112 T C 0.033 174.744 174.700 0.019 0.000 1.052 112 T CA -0.464 61.653 62.100 0.029 0.000 1.017 112 T CB 0.713 69.623 68.868 0.071 0.000 1.137 112 T HN 0.338 nan 8.240 nan 0.000 0.511 113 F N 1.207 121.230 119.950 0.121 0.000 2.771 113 F HA 0.356 4.883 4.527 -0.000 0.000 0.299 113 F C 2.033 177.863 175.800 0.050 0.000 1.177 113 F CA 0.259 58.317 58.000 0.098 0.000 1.450 113 F CB -0.747 38.258 39.000 0.008 0.000 1.114 113 F HN 0.842 nan 8.300 nan 0.000 0.587 114 A N 0.000 122.926 122.820 0.177 0.000 2.254 114 A HA 0.000 4.320 4.320 0.000 0.000 0.244 114 A CA 0.000 52.104 52.037 0.111 0.000 0.836 114 A CB 0.000 19.046 19.000 0.076 0.000 0.831 114 A HN 0.000 nan 8.150 nan 0.000 0.486