REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1ca7_1_B 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 0.000 177.341 177.300 0.068 0.000 1.155 1 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 1 P CB 0.000 31.679 31.700 -0.034 0.000 0.726 2 M N 2.258 121.943 119.600 0.141 0.000 2.204 2 M HA 0.608 5.088 4.480 0.000 0.000 0.293 2 M C -1.991 174.484 176.300 0.291 0.000 0.994 2 M CA -0.616 54.795 55.300 0.184 0.000 0.925 2 M CB 1.361 34.048 32.600 0.144 0.000 1.577 2 M HN 0.405 nan 8.290 nan 0.000 0.439 3 F N 6.551 126.543 119.950 0.071 0.000 2.467 3 F HA 0.694 5.221 4.527 -0.000 0.000 0.336 3 F C -1.561 174.280 175.800 0.068 0.000 1.123 3 F CA -0.799 57.230 58.000 0.048 0.000 0.964 3 F CB 1.036 40.025 39.000 -0.019 0.000 1.136 3 F HN 0.469 nan 8.300 nan 0.000 0.447 4 I N 6.559 126.763 120.570 -0.609 0.000 2.465 4 I HA 0.520 4.690 4.170 0.000 0.000 0.291 4 I C -1.205 174.453 176.117 -0.766 0.000 1.014 4 I CA -1.118 59.884 61.300 -0.497 0.000 1.093 4 I CB 2.026 39.909 38.000 -0.195 0.000 1.267 4 I HN 0.223 nan 8.210 nan 0.000 0.431 5 V N 4.626 124.217 119.914 -0.538 0.000 2.487 5 V HA 0.431 4.551 4.120 0.000 0.000 0.298 5 V C -0.688 175.284 176.094 -0.204 0.000 1.028 5 V CA -0.714 61.381 62.300 -0.343 0.000 0.860 5 V CB 1.673 33.425 31.823 -0.118 0.000 0.991 5 V HN 0.688 nan 8.190 nan 0.000 0.427 6 N N 1.821 120.443 118.700 -0.130 0.000 2.372 6 N HA 0.740 5.480 4.740 0.000 0.000 0.285 6 N C -0.645 174.851 175.510 -0.024 0.000 1.008 6 N CA -0.296 52.704 53.050 -0.083 0.000 0.880 6 N CB 2.191 40.637 38.487 -0.069 0.000 1.239 6 N HN 0.777 nan 8.380 nan 0.000 0.484 7 T N -0.064 114.480 114.554 -0.016 0.000 2.868 7 T HA 0.281 4.631 4.350 0.000 0.000 0.306 7 T C -0.096 174.602 174.700 -0.002 0.000 1.224 7 T CA -0.735 61.365 62.100 -0.000 0.000 1.012 7 T CB 0.705 69.574 68.868 0.001 0.000 1.221 7 T HN 0.595 nan 8.240 nan 0.000 0.499 8 N N 1.552 120.252 118.700 0.000 0.000 2.412 8 N HA 0.059 4.799 4.740 0.000 0.000 0.184 8 N C 0.475 175.979 175.510 -0.010 0.000 1.101 8 N CA 0.047 53.097 53.050 -0.001 0.000 0.881 8 N CB -0.419 38.071 38.487 0.007 0.000 0.969 8 N HN 0.315 nan 8.380 nan 0.000 0.459 9 V N 3.430 123.333 119.914 -0.019 0.000 2.673 9 V HA 0.101 4.221 4.120 0.000 0.000 0.303 9 V C -1.737 174.342 176.094 -0.025 0.000 1.046 9 V CA -1.034 61.248 62.300 -0.030 0.000 1.126 9 V CB 0.492 32.286 31.823 -0.048 0.000 0.934 9 V HN 0.212 nan 8.190 nan 0.000 0.487 10 P HA 0.098 nan 4.420 nan 0.000 0.270 10 P C 0.620 177.908 177.300 -0.020 0.000 1.223 10 P CA -0.381 62.708 63.100 -0.018 0.000 0.785 10 P CB 0.746 32.436 31.700 -0.017 0.000 0.923 11 R N 2.270 122.765 120.500 -0.008 0.000 2.091 11 R HA -0.148 4.192 4.340 0.000 0.000 0.238 11 R C 2.074 178.368 176.300 -0.009 0.000 1.136 11 R CA 2.173 58.272 56.100 -0.001 0.000 0.959 11 R CB -1.535 28.771 30.300 0.010 0.000 0.856 11 R HN 0.593 nan 8.270 nan 0.000 0.437 12 A N -0.227 122.587 122.820 -0.011 0.000 2.076 12 A HA -0.091 4.229 4.320 0.000 0.000 0.220 12 A C 2.030 179.596 177.584 -0.030 0.000 1.160 12 A CA 1.732 53.760 52.037 -0.015 0.000 0.653 12 A CB -0.249 18.744 19.000 -0.012 0.000 0.801 12 A HN 0.344 nan 8.150 nan 0.000 0.455 13 S N -0.808 114.865 115.700 -0.044 0.000 2.593 13 S HA 0.162 4.632 4.470 0.000 0.000 0.217 13 S C 0.382 174.913 174.600 -0.116 0.000 0.966 13 S CA -0.033 58.125 58.200 -0.070 0.000 0.914 13 S CB 0.042 63.200 63.200 -0.069 0.000 0.776 13 S HN 0.240 nan 8.310 nan 0.000 0.523 14 V N 5.308 125.158 119.914 -0.107 0.000 2.408 14 V HA 0.260 4.380 4.120 0.000 0.000 0.267 14 V C -1.872 174.163 176.094 -0.100 0.000 1.047 14 V CA -2.000 60.199 62.300 -0.168 0.000 0.937 14 V CB 0.427 32.210 31.823 -0.067 0.000 0.999 14 V HN 0.204 nan 8.190 nan 0.000 0.472 15 P HA 0.224 nan 4.420 nan 0.000 0.274 15 P C -0.643 176.690 177.300 0.055 0.000 1.231 15 P CA -0.538 62.542 63.100 -0.033 0.000 0.790 15 P CB 0.840 32.514 31.700 -0.044 0.000 0.951 16 D N 0.537 120.970 120.400 0.055 0.000 2.443 16 D HA 0.238 4.878 4.640 0.000 0.000 0.239 16 D C 1.603 177.966 176.300 0.105 0.000 1.136 16 D CA 1.461 55.507 54.000 0.076 0.000 0.879 16 D CB -0.078 40.752 40.800 0.050 0.000 1.195 16 D HN 0.723 nan 8.370 nan 0.000 0.443 17 G N 1.461 110.331 108.800 0.115 0.000 2.159 17 G HA2 -0.369 3.591 3.960 0.000 0.000 0.256 17 G HA3 -0.369 3.591 3.960 0.000 0.000 0.256 17 G C 0.820 175.823 174.900 0.171 0.000 0.977 17 G CA 0.293 45.460 45.100 0.112 0.000 0.652 17 G HN 0.464 nan 8.290 nan 0.000 0.531 18 F N 0.568 120.539 119.950 0.035 0.000 2.134 18 F HA 0.159 4.686 4.527 0.000 0.000 0.299 18 F C 2.348 178.182 175.800 0.057 0.000 1.097 18 F CA 1.920 59.946 58.000 0.044 0.000 1.264 18 F CB -0.354 38.674 39.000 0.047 0.000 1.001 18 F HN 0.162 nan 8.300 nan 0.000 0.479 19 L N 0.045 121.284 121.223 0.027 0.000 2.046 19 L HA -0.205 4.135 4.340 0.000 0.000 0.208 19 L C 2.617 179.447 176.870 -0.067 0.000 1.077 19 L CA 2.090 56.889 54.840 -0.068 0.000 0.747 19 L CB -1.276 40.802 42.059 0.032 0.000 0.896 19 L HN 0.143 nan 8.230 nan 0.000 0.432 20 S N -1.351 114.342 115.700 -0.013 0.000 2.383 20 S HA -0.209 4.261 4.470 0.000 0.000 0.227 20 S C 1.867 176.450 174.600 -0.029 0.000 1.026 20 S CA 1.107 59.301 58.200 -0.009 0.000 0.981 20 S CB -0.365 62.845 63.200 0.017 0.000 0.818 20 S HN 0.514 nan 8.310 nan 0.000 0.472 21 E N 1.379 121.560 120.200 -0.032 0.000 2.072 21 E HA -0.070 4.280 4.350 0.000 0.000 0.191 21 E C 1.966 178.501 176.600 -0.108 0.000 0.985 21 E CA 0.739 57.119 56.400 -0.034 0.000 0.801 21 E CB -0.174 29.547 29.700 0.035 0.000 0.750 21 E HN 0.458 nan 8.360 nan 0.000 0.452 22 L N 0.424 121.512 121.223 -0.225 0.000 2.046 22 L HA -0.173 4.167 4.340 0.000 0.000 0.208 22 L C 2.630 179.410 176.870 -0.150 0.000 1.077 22 L CA 1.573 56.258 54.840 -0.258 0.000 0.747 22 L CB -0.570 41.281 42.059 -0.347 0.000 0.896 22 L HN 0.235 nan 8.230 nan 0.000 0.432 23 T N -0.900 113.596 114.554 -0.096 0.000 2.652 23 T HA -0.248 4.102 4.350 0.000 0.000 0.267 23 T C 1.863 176.533 174.700 -0.050 0.000 1.039 23 T CA 1.406 63.475 62.100 -0.053 0.000 1.153 23 T CB -0.235 68.617 68.868 -0.026 0.000 0.863 23 T HN 0.371 nan 8.240 nan 0.000 0.428 24 Q N 0.465 120.240 119.800 -0.043 0.000 2.002 24 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 24 Q C 2.744 178.720 176.000 -0.040 0.000 0.988 24 Q CA 1.152 56.937 55.803 -0.030 0.000 0.843 24 Q CB -0.212 28.515 28.738 -0.018 0.000 0.908 24 Q HN 0.372 nan 8.270 nan 0.000 0.420 25 Q N 0.434 120.201 119.800 -0.055 0.000 2.152 25 Q HA -0.132 4.208 4.340 0.000 0.000 0.206 25 Q C 2.122 178.074 176.000 -0.079 0.000 0.985 25 Q CA 1.261 57.028 55.803 -0.060 0.000 0.863 25 Q CB -0.251 28.444 28.738 -0.072 0.000 0.904 25 Q HN 0.431 nan 8.270 nan 0.000 0.422 26 L N -0.489 120.663 121.223 -0.118 0.000 2.109 26 L HA -0.083 4.257 4.340 0.000 0.000 0.207 26 L C 2.328 179.145 176.870 -0.088 0.000 1.086 26 L CA 0.770 55.521 54.840 -0.147 0.000 0.760 26 L CB -0.474 41.470 42.059 -0.192 0.000 0.910 26 L HN 0.104 nan 8.230 nan 0.000 0.437 27 A N -0.684 122.104 122.820 -0.054 0.000 1.877 27 A HA -0.218 4.102 4.320 0.000 0.000 0.216 27 A C 2.238 179.813 177.584 -0.016 0.000 1.186 27 A CA 1.252 53.273 52.037 -0.026 0.000 0.620 27 A CB -0.371 18.622 19.000 -0.011 0.000 0.822 27 A HN 0.358 nan 8.150 nan 0.000 0.443 28 Q N -0.500 119.291 119.800 -0.014 0.000 2.002 28 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 28 Q C 2.548 178.557 176.000 0.014 0.000 0.988 28 Q CA 1.793 57.595 55.803 -0.002 0.000 0.843 28 Q CB -0.768 27.967 28.738 -0.004 0.000 0.908 28 Q HN 0.636 nan 8.270 nan 0.000 0.420 29 A N 0.919 123.752 122.820 0.022 0.000 1.892 29 A HA -0.210 4.110 4.320 0.000 0.000 0.218 29 A C 2.291 179.967 177.584 0.152 0.000 1.188 29 A CA 2.755 54.850 52.037 0.095 0.000 0.631 29 A CB -1.000 18.065 19.000 0.108 0.000 0.822 29 A HN 0.594 nan 8.150 nan 0.000 0.447 30 T N -4.479 110.116 114.554 0.069 0.000 3.054 30 T HA 0.375 4.725 4.350 0.000 0.000 0.259 30 T C 1.457 176.173 174.700 0.026 0.000 1.092 30 T CA 1.150 63.291 62.100 0.069 0.000 1.121 30 T CB -0.144 68.704 68.868 -0.033 0.000 0.912 30 T HN 1.855 nan 8.240 nan 0.000 0.489 31 G N 1.686 110.491 108.800 0.007 0.000 2.147 31 G HA2 -0.197 3.763 3.960 0.000 0.000 0.244 31 G HA3 -0.197 3.763 3.960 0.000 0.000 0.244 31 G C -0.133 174.751 174.900 -0.028 0.000 1.005 31 G CA -0.000 45.095 45.100 -0.008 0.000 0.713 31 G HN 0.611 nan 8.290 nan 0.000 0.515 32 K N 0.080 120.460 120.400 -0.033 0.000 2.156 32 K HA 0.500 4.820 4.320 0.000 0.000 0.254 32 K C -2.650 173.955 176.600 0.009 0.000 0.950 32 K CA -2.036 54.219 56.287 -0.053 0.000 0.849 32 K CB 1.871 34.319 32.500 -0.087 0.000 1.100 32 K HN -0.031 nan 8.250 nan 0.000 0.434 33 P HA 0.046 nan 4.420 nan 0.000 0.268 33 P C -1.780 175.587 177.300 0.112 0.000 1.204 33 P CA -1.027 62.141 63.100 0.113 0.000 0.768 33 P CB 0.266 32.093 31.700 0.211 0.000 0.842 34 P HA -0.181 nan 4.420 nan 0.000 0.225 34 P C 1.081 178.388 177.300 0.013 0.000 1.148 34 P CA 1.221 64.337 63.100 0.027 0.000 0.779 34 P CB 0.167 31.872 31.700 0.009 0.000 0.780 35 Q N -1.394 118.398 119.800 -0.013 0.000 2.437 35 Q HA -0.094 4.246 4.340 0.000 0.000 0.210 35 Q C 1.248 177.114 176.000 -0.224 0.000 0.972 35 Q CA 1.031 56.762 55.803 -0.121 0.000 0.903 35 Q CB -0.325 28.303 28.738 -0.183 0.000 0.967 35 Q HN 0.464 nan 8.270 nan 0.000 0.486 36 Y N -0.853 119.405 120.300 -0.069 0.000 2.481 36 Y HA 0.110 4.660 4.550 0.000 0.000 0.258 36 Y C 0.780 176.628 175.900 -0.086 0.000 1.103 36 Y CA -0.381 57.647 58.100 -0.119 0.000 1.287 36 Y CB 0.785 39.137 38.460 -0.181 0.000 1.108 36 Y HN -0.072 nan 8.280 nan 0.000 0.529 37 I N 1.346 121.963 120.570 0.078 0.000 2.471 37 I HA 0.251 4.421 4.170 0.000 0.000 0.286 37 I C 0.366 176.513 176.117 0.049 0.000 1.079 37 I CA -0.345 60.983 61.300 0.047 0.000 1.398 37 I CB 0.153 38.166 38.000 0.020 0.000 1.403 37 I HN -0.027 nan 8.210 nan 0.000 0.530 38 A N 7.166 130.027 122.820 0.068 0.000 2.318 38 A HA 0.727 5.047 4.320 0.000 0.000 0.317 38 A C -0.606 177.041 177.584 0.105 0.000 1.159 38 A CA -0.478 51.603 52.037 0.074 0.000 0.799 38 A CB 1.378 20.424 19.000 0.076 0.000 1.194 38 A HN 0.457 nan 8.150 nan 0.000 0.479 39 V N 2.876 122.849 119.914 0.099 0.000 2.680 39 V HA 0.512 4.633 4.120 0.000 0.000 0.309 39 V C -0.504 175.686 176.094 0.159 0.000 1.052 39 V CA -0.442 61.939 62.300 0.135 0.000 0.908 39 V CB 1.899 33.776 31.823 0.089 0.000 1.001 39 V HN 0.995 nan 8.190 nan 0.000 0.431 40 H N 2.737 121.811 119.070 0.008 0.000 2.934 40 H HA 0.688 5.244 4.556 0.000 0.000 0.340 40 H C -2.033 173.280 175.328 -0.025 0.000 1.008 40 H CA -0.514 55.529 56.048 -0.009 0.000 1.317 40 H CB 2.125 31.873 29.762 -0.024 0.000 1.670 40 H HN 0.459 nan 8.280 nan 0.000 0.516 41 V N 6.216 126.184 119.914 0.090 0.000 2.448 41 V HA 0.241 4.361 4.120 0.000 0.000 0.295 41 V C -0.376 175.681 176.094 -0.062 0.000 1.025 41 V CA -0.692 61.608 62.300 -0.000 0.000 0.859 41 V CB 1.649 33.581 31.823 0.182 0.000 0.988 41 V HN 0.534 nan 8.190 nan 0.000 0.431 42 V N 7.666 127.486 119.914 -0.156 0.000 2.305 42 V HA 0.397 4.517 4.120 0.000 0.000 0.275 42 V C -2.103 173.965 176.094 -0.043 0.000 1.020 42 V CA -1.276 60.958 62.300 -0.111 0.000 0.811 42 V CB 1.349 33.053 31.823 -0.199 0.000 1.031 42 V HN 0.715 nan 8.190 nan 0.000 0.439 43 P HA 0.381 nan 4.420 nan 0.000 0.287 43 P C -0.299 177.001 177.300 -0.001 0.000 1.296 43 P CA -0.135 62.964 63.100 -0.001 0.000 0.811 43 P CB 0.966 32.671 31.700 0.007 0.000 1.211 44 D N -2.505 117.894 120.400 -0.002 0.000 2.837 44 D HA -0.116 4.524 4.640 0.000 0.000 0.230 44 D C -0.044 176.257 176.300 0.002 0.000 1.152 44 D CA 1.016 55.016 54.000 -0.000 0.000 0.736 44 D CB -0.724 40.078 40.800 0.004 0.000 1.084 44 D HN 0.379 nan 8.370 nan 0.000 0.429 45 Q N -0.164 119.636 119.800 0.000 0.000 2.354 45 Q HA 0.372 4.713 4.340 0.000 0.000 0.244 45 Q C 0.464 176.469 176.000 0.008 0.000 0.969 45 Q CA -0.453 55.351 55.803 0.003 0.000 0.885 45 Q CB 0.949 29.687 28.738 -0.000 0.000 1.241 45 Q HN 0.246 nan 8.270 nan 0.000 0.461 46 L N 4.175 125.404 121.223 0.010 0.000 2.328 46 L HA 0.263 4.603 4.340 0.000 0.000 0.280 46 L C -0.379 176.502 176.870 0.018 0.000 1.111 46 L CA 0.395 55.243 54.840 0.013 0.000 0.909 46 L CB -0.326 41.740 42.059 0.011 0.000 1.277 46 L HN 0.560 nan 8.230 nan 0.000 0.433 47 M N 2.653 122.268 119.600 0.025 0.000 2.664 47 M HA 0.990 5.470 4.480 0.000 0.000 0.279 47 M C -1.134 175.196 176.300 0.050 0.000 1.275 47 M CA -0.815 54.508 55.300 0.038 0.000 0.829 47 M CB 2.170 34.799 32.600 0.048 0.000 1.727 47 M HN 0.212 nan 8.290 nan 0.000 0.459 48 A N 0.830 123.689 122.820 0.065 0.000 2.572 48 A HA 0.902 5.222 4.320 0.000 0.000 0.295 48 A C -2.265 175.398 177.584 0.130 0.000 1.072 48 A CA -0.524 51.563 52.037 0.084 0.000 0.691 48 A CB 1.889 20.919 19.000 0.050 0.000 1.291 48 A HN 0.830 nan 8.150 nan 0.000 0.404 49 F N 1.054 120.994 119.950 -0.016 0.000 2.562 49 F HA 0.549 5.076 4.527 0.000 0.000 0.319 49 F C 0.932 176.716 175.800 -0.027 0.000 1.154 49 F CA 0.341 58.321 58.000 -0.033 0.000 0.931 49 F CB 1.904 40.851 39.000 -0.089 0.000 1.198 49 F HN 1.594 nan 8.300 nan 0.000 0.444 50 G N 3.485 112.291 108.800 0.010 0.000 2.305 50 G HA2 0.071 4.031 3.960 0.000 0.000 0.287 50 G HA3 0.071 4.031 3.960 0.000 0.000 0.287 50 G C 1.178 176.123 174.900 0.074 0.000 1.036 50 G CA 0.955 46.100 45.100 0.075 0.000 0.887 50 G HN 2.245 nan 8.290 nan 0.000 0.505 51 G N -1.821 107.007 108.800 0.047 0.000 2.284 51 G HA2 -0.060 3.900 3.960 0.000 0.000 0.247 51 G HA3 -0.060 3.900 3.960 0.000 0.000 0.247 51 G C 0.775 175.704 174.900 0.049 0.000 1.012 51 G CA 1.389 46.513 45.100 0.039 0.000 0.618 51 G HN 2.203 nan 8.290 nan 0.000 0.521 52 S N 0.315 116.059 115.700 0.074 0.000 2.554 52 S HA 0.601 5.071 4.470 0.000 0.000 0.278 52 S C 1.212 175.850 174.600 0.063 0.000 1.242 52 S CA 0.754 58.990 58.200 0.059 0.000 1.051 52 S CB 1.323 64.555 63.200 0.053 0.000 0.986 52 S HN 1.336 nan 8.310 nan 0.000 0.502 53 S N 2.836 118.559 115.700 0.038 0.000 2.573 53 S HA 0.294 4.764 4.470 0.000 0.000 0.244 53 S C 0.138 174.747 174.600 0.015 0.000 0.984 53 S CA -0.629 57.590 58.200 0.033 0.000 1.001 53 S CB -0.150 63.064 63.200 0.023 0.000 0.788 53 S HN 0.714 nan 8.310 nan 0.000 0.456 54 E N 2.857 123.061 120.200 0.007 0.000 2.408 54 E HA 0.211 4.562 4.350 0.000 0.000 0.259 54 E C -2.512 174.067 176.600 -0.034 0.000 1.110 54 E CA -1.981 54.407 56.400 -0.020 0.000 0.929 54 E CB 0.062 29.741 29.700 -0.035 0.000 0.971 54 E HN 0.177 nan 8.360 nan 0.000 0.438 55 P HA -0.119 nan 4.420 nan 0.000 0.261 55 P C -0.594 176.653 177.300 -0.090 0.000 1.165 55 P CA 0.500 63.567 63.100 -0.055 0.000 0.759 55 P CB 0.219 31.883 31.700 -0.061 0.000 0.772 56 C N 1.495 120.756 119.300 -0.066 0.000 3.321 56 C HA 0.940 5.400 4.460 0.000 0.000 0.329 56 C C -1.150 173.826 174.990 -0.023 0.000 1.394 56 C CA -0.996 57.962 59.018 -0.101 0.000 1.291 56 C CB 1.248 28.952 27.740 -0.060 0.000 1.606 56 C HN 0.647 nan 8.230 nan 0.000 0.463 57 A N 0.895 123.712 122.820 -0.004 0.000 2.486 57 A HA 0.858 5.178 4.320 0.000 0.000 0.300 57 A C -1.514 176.139 177.584 0.114 0.000 1.048 57 A CA -0.510 51.557 52.037 0.049 0.000 0.696 57 A CB 1.102 20.130 19.000 0.047 0.000 1.278 57 A HN 1.122 nan 8.150 nan 0.000 0.405 58 L N 1.704 122.983 121.223 0.095 0.000 2.343 58 L HA 0.554 4.894 4.340 0.000 0.000 0.278 58 L C -0.786 176.093 176.870 0.016 0.000 0.996 58 L CA -0.479 54.433 54.840 0.120 0.000 0.831 58 L CB 1.376 43.505 42.059 0.117 0.000 1.232 58 L HN 0.837 nan 8.230 nan 0.000 0.413 59 C N 0.805 120.107 119.300 0.004 0.000 3.108 59 C HA 0.933 5.393 4.460 0.000 0.000 0.321 59 C C 0.042 174.968 174.990 -0.106 0.000 1.357 59 C CA -0.853 58.076 59.018 -0.148 0.000 1.562 59 C CB 1.955 29.591 27.740 -0.174 0.000 2.003 59 C HN 0.840 nan 8.230 nan 0.000 0.460 60 S N 0.097 115.691 115.700 -0.177 0.000 2.537 60 S HA 0.730 5.200 4.470 0.000 0.000 0.271 60 S C -1.660 172.957 174.600 0.028 0.000 1.148 60 S CA -0.514 57.652 58.200 -0.058 0.000 0.868 60 S CB 1.444 64.683 63.200 0.065 0.000 1.115 60 S HN 0.939 nan 8.310 nan 0.000 0.461 61 L N 2.394 123.638 121.223 0.036 0.000 2.372 61 L HA 0.651 4.991 4.340 0.000 0.000 0.274 61 L C -1.632 175.293 176.870 0.091 0.000 0.988 61 L CA -0.196 54.757 54.840 0.188 0.000 0.833 61 L CB 0.903 43.099 42.059 0.228 0.000 1.236 61 L HN 0.951 nan 8.230 nan 0.000 0.410 62 H N 2.596 121.789 119.070 0.206 0.000 2.476 62 H HA 0.786 5.342 4.556 0.000 0.000 0.328 62 H C -0.564 174.823 175.328 0.099 0.000 1.073 62 H CA -0.228 55.926 56.048 0.176 0.000 1.229 62 H CB 1.734 31.535 29.762 0.065 0.000 1.432 62 H HN 0.598 nan 8.280 nan 0.000 0.477 63 S N 2.372 118.183 115.700 0.186 0.000 2.546 63 S HA 0.454 4.924 4.470 0.000 0.000 0.274 63 S C -0.858 173.767 174.600 0.042 0.000 1.121 63 S CA -0.813 57.428 58.200 0.069 0.000 0.887 63 S CB 0.800 64.027 63.200 0.044 0.000 1.094 63 S HN 0.566 nan 8.310 nan 0.000 0.474 64 I N 4.312 124.851 120.570 -0.050 0.000 2.269 64 I HA 0.478 4.648 4.170 0.000 0.000 0.293 64 I C 1.030 177.115 176.117 -0.053 0.000 1.106 64 I CA 0.312 61.575 61.300 -0.061 0.000 1.248 64 I CB -0.276 37.625 38.000 -0.164 0.000 1.444 64 I HN 0.999 nan 8.210 nan 0.000 0.497 65 G N 5.425 114.223 108.800 -0.004 0.000 2.760 65 G HA2 -0.214 3.746 3.960 0.000 0.000 0.246 65 G HA3 -0.214 3.746 3.960 0.000 0.000 0.246 65 G C 0.261 175.173 174.900 0.020 0.000 1.359 65 G CA -0.612 44.486 45.100 -0.003 0.000 0.861 65 G HN 0.552 nan 8.290 nan 0.000 0.541 66 K N -2.219 118.194 120.400 0.022 0.000 3.341 66 K HA -0.145 4.175 4.320 0.000 0.000 0.305 66 K C 0.308 176.983 176.600 0.125 0.000 1.270 66 K CA 1.645 57.975 56.287 0.072 0.000 0.897 66 K CB -1.501 31.066 32.500 0.111 0.000 1.264 66 K HN 1.015 nan 8.250 nan 0.000 0.468 67 I N 0.039 120.644 120.570 0.059 0.000 2.436 67 I HA 0.711 4.881 4.170 0.000 0.000 0.289 67 I C 0.885 176.976 176.117 -0.043 0.000 1.010 67 I CA -0.178 61.146 61.300 0.039 0.000 1.098 67 I CB 1.648 39.697 38.000 0.081 0.000 1.266 67 I HN 0.225 nan 8.210 nan 0.000 0.434 68 G N 2.982 111.709 108.800 -0.121 0.000 2.441 68 G HA2 0.420 4.380 3.960 0.000 0.000 0.294 68 G HA3 0.420 4.380 3.960 0.000 0.000 0.294 68 G C 0.415 175.210 174.900 -0.174 0.000 1.393 68 G CA -0.077 44.951 45.100 -0.120 0.000 0.796 68 G HN 0.683 nan 8.290 nan 0.000 0.494 69 G N 0.128 108.850 108.800 -0.131 0.000 2.514 69 G HA2 0.111 4.071 3.960 0.000 0.000 0.217 69 G HA3 0.111 4.071 3.960 0.000 0.000 0.217 69 G C 2.049 176.848 174.900 -0.169 0.000 1.198 69 G CA 2.679 47.701 45.100 -0.130 0.000 0.780 69 G HN 1.623 nan 8.290 nan 0.000 0.565 70 A N -0.006 122.715 122.820 -0.165 0.000 1.898 70 A HA -0.038 4.282 4.320 0.000 0.000 0.216 70 A C 2.370 179.782 177.584 -0.286 0.000 1.181 70 A CA 2.019 53.947 52.037 -0.182 0.000 0.620 70 A CB -0.444 18.470 19.000 -0.143 0.000 0.819 70 A HN 0.460 nan 8.150 nan 0.000 0.442 71 Q N -0.244 119.334 119.800 -0.370 0.000 2.084 71 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 71 Q C 1.872 177.275 176.000 -0.995 0.000 0.978 71 Q CA 1.593 56.995 55.803 -0.668 0.000 0.844 71 Q CB -0.188 28.189 28.738 -0.601 0.000 0.898 71 Q HN 0.642 nan 8.270 nan 0.000 0.426 72 N N 0.415 118.688 118.700 -0.711 0.000 2.166 72 N HA -0.137 4.603 4.740 0.000 0.000 0.186 72 N C 1.476 176.725 175.510 -0.434 0.000 1.019 72 N CA 1.133 53.710 53.050 -0.788 0.000 0.856 72 N CB -0.148 37.859 38.487 -0.801 0.000 0.993 72 N HN 0.197 nan 8.380 nan 0.000 0.426 73 R N 0.239 120.566 120.500 -0.288 0.000 2.081 73 R HA 0.068 4.408 4.340 0.000 0.000 0.235 73 R C 2.201 178.436 176.300 -0.109 0.000 1.131 73 R CA 1.165 57.187 56.100 -0.130 0.000 0.960 73 R CB -0.219 30.019 30.300 -0.103 0.000 0.856 73 R HN 0.147 nan 8.270 nan 0.000 0.436 74 S N 0.119 115.691 115.700 -0.212 0.000 2.356 74 S HA -0.143 4.327 4.470 0.000 0.000 0.223 74 S C 1.666 176.258 174.600 -0.012 0.000 1.032 74 S CA 1.196 59.309 58.200 -0.146 0.000 1.005 74 S CB -0.323 62.737 63.200 -0.233 0.000 0.867 74 S HN 0.269 nan 8.310 nan 0.000 0.449 75 Y N 2.349 122.611 120.300 -0.063 0.000 2.114 75 Y HA -0.135 4.415 4.550 0.000 0.000 0.282 75 Y C 2.953 178.897 175.900 0.073 0.000 1.165 75 Y CA 0.560 58.656 58.100 -0.006 0.000 1.148 75 Y CB -1.379 37.093 38.460 0.021 0.000 0.972 75 Y HN 0.182 nan 8.280 nan 0.000 0.504 76 S N -0.301 115.576 115.700 0.295 0.000 2.370 76 S HA -0.219 4.252 4.470 0.000 0.000 0.226 76 S C 2.037 176.720 174.600 0.139 0.000 1.033 76 S CA 1.564 59.914 58.200 0.249 0.000 1.011 76 S CB -0.281 63.064 63.200 0.241 0.000 0.852 76 S HN 0.260 nan 8.310 nan 0.000 0.457 77 K N 1.338 121.792 120.400 0.090 0.000 2.001 77 K HA -0.088 4.232 4.320 0.000 0.000 0.214 77 K C 1.976 178.609 176.600 0.056 0.000 1.050 77 K CA 1.135 57.454 56.287 0.055 0.000 0.934 77 K CB -0.783 31.733 32.500 0.027 0.000 0.718 77 K HN 0.236 nan 8.250 nan 0.000 0.443 78 L N 0.237 121.496 121.223 0.060 0.000 1.955 78 L HA -0.165 4.175 4.340 0.000 0.000 0.213 78 L C 1.879 178.767 176.870 0.030 0.000 1.072 78 L CA 1.739 56.604 54.840 0.041 0.000 0.755 78 L CB -0.886 41.200 42.059 0.045 0.000 0.888 78 L HN 0.182 nan 8.230 nan 0.000 0.432 79 L N -0.420 120.815 121.223 0.021 0.000 2.042 79 L HA -0.272 4.068 4.340 0.000 0.000 0.210 79 L C 2.756 179.681 176.870 0.091 0.000 1.076 79 L CA 1.763 56.605 54.840 0.003 0.000 0.749 79 L CB -1.962 40.078 42.059 -0.033 0.000 0.893 79 L HN 0.477 nan 8.230 nan 0.000 0.432 80 C N -0.575 118.783 119.300 0.096 0.000 2.425 80 C HA -0.069 4.391 4.460 0.000 0.000 0.277 80 C C 2.842 177.871 174.990 0.064 0.000 1.280 80 C CA 0.618 59.686 59.018 0.083 0.000 1.744 80 C CB -1.519 26.263 27.740 0.070 0.000 1.989 80 C HN 0.690 nan 8.230 nan 0.000 0.491 81 G N 0.066 108.900 108.800 0.057 0.000 2.408 81 G HA2 -0.122 3.838 3.960 0.000 0.000 0.217 81 G HA3 -0.122 3.838 3.960 0.000 0.000 0.217 81 G C 1.585 176.525 174.900 0.066 0.000 1.150 81 G CA 0.443 45.571 45.100 0.047 0.000 0.776 81 G HN 0.508 nan 8.290 nan 0.000 0.542 82 L N -0.148 121.132 121.223 0.094 0.000 2.056 82 L HA 0.033 4.373 4.340 0.000 0.000 0.207 82 L C 2.894 179.879 176.870 0.193 0.000 1.078 82 L CA 0.578 55.514 54.840 0.159 0.000 0.749 82 L CB -0.320 41.848 42.059 0.182 0.000 0.901 82 L HN 0.190 nan 8.230 nan 0.000 0.433 83 L N -0.650 120.681 121.223 0.180 0.000 2.093 83 L HA -0.171 4.169 4.340 0.000 0.000 0.208 83 L C 2.829 179.721 176.870 0.037 0.000 1.085 83 L CA 1.084 56.006 54.840 0.137 0.000 0.755 83 L CB -0.711 41.435 42.059 0.145 0.000 0.904 83 L HN 0.228 nan 8.230 nan 0.000 0.435 84 A N -0.312 122.527 122.820 0.031 0.000 1.898 84 A HA -0.228 4.092 4.320 0.000 0.000 0.216 84 A C 2.275 179.855 177.584 -0.007 0.000 1.181 84 A CA 1.764 53.800 52.037 -0.001 0.000 0.620 84 A CB -0.375 18.624 19.000 -0.000 0.000 0.819 84 A HN 0.459 nan 8.150 nan 0.000 0.442 85 E N -0.904 119.304 120.200 0.013 0.000 2.021 85 E HA -0.146 4.204 4.350 0.000 0.000 0.189 85 E C 2.231 178.820 176.600 -0.018 0.000 0.980 85 E CA 0.553 56.957 56.400 0.006 0.000 0.803 85 E CB -0.042 29.675 29.700 0.029 0.000 0.766 85 E HN 0.275 nan 8.360 nan 0.000 0.449 86 R N -0.095 120.394 120.500 -0.017 0.000 2.115 86 R HA -0.021 4.319 4.340 0.000 0.000 0.226 86 R C 1.793 177.948 176.300 -0.241 0.000 1.100 86 R CA 0.667 56.694 56.100 -0.123 0.000 0.980 86 R CB -0.258 29.963 30.300 -0.131 0.000 0.875 86 R HN 0.246 nan 8.270 nan 0.000 0.445 87 L N -0.280 120.822 121.223 -0.201 0.000 2.731 87 L HA 0.282 4.622 4.340 0.000 0.000 0.240 87 L C 0.275 177.081 176.870 -0.108 0.000 1.120 87 L CA 0.310 55.034 54.840 -0.193 0.000 0.913 87 L CB 0.059 41.999 42.059 -0.197 0.000 1.213 87 L HN 0.095 nan 8.230 nan 0.000 0.515 88 R N -0.170 120.284 120.500 -0.077 0.000 3.651 88 R HA -0.162 4.178 4.340 0.000 0.000 0.292 88 R C -0.245 176.019 176.300 -0.059 0.000 1.161 88 R CA 0.413 56.478 56.100 -0.059 0.000 0.787 88 R CB -2.292 27.974 30.300 -0.057 0.000 1.249 88 R HN 0.224 nan 8.270 nan 0.000 0.476 89 I N 0.604 121.140 120.570 -0.057 0.000 2.321 89 I HA 0.099 4.269 4.170 0.000 0.000 0.291 89 I C 1.017 177.089 176.117 -0.076 0.000 0.998 89 I CA -0.320 60.939 61.300 -0.069 0.000 1.227 89 I CB 1.781 39.746 38.000 -0.058 0.000 1.368 89 I HN 0.015 nan 8.210 nan 0.000 0.466 90 S N 8.594 124.231 115.700 -0.106 0.000 2.525 90 S HA 0.132 4.602 4.470 0.000 0.000 0.285 90 S C -0.986 173.533 174.600 -0.135 0.000 1.283 90 S CA -1.133 57.000 58.200 -0.111 0.000 1.072 90 S CB 0.642 63.763 63.200 -0.132 0.000 0.867 90 S HN 0.453 nan 8.310 nan 0.000 0.492 91 P HA -0.144 nan 4.420 nan 0.000 0.220 91 P C 0.662 177.894 177.300 -0.113 0.000 1.144 91 P CA 1.061 64.120 63.100 -0.068 0.000 0.800 91 P CB -0.122 31.565 31.700 -0.021 0.000 0.772 92 D N -0.803 119.506 120.400 -0.152 0.000 2.349 92 D HA -0.087 4.553 4.640 0.000 0.000 0.224 92 D C 1.101 177.128 176.300 -0.454 0.000 1.029 92 D CA 0.220 54.112 54.000 -0.181 0.000 0.879 92 D CB -0.458 40.278 40.800 -0.106 0.000 0.906 92 D HN 0.187 nan 8.370 nan 0.000 0.528 93 R N -0.006 120.121 120.500 -0.621 0.000 2.700 93 R HA 0.342 4.682 4.340 0.000 0.000 0.399 93 R C -0.961 174.809 176.300 -0.882 0.000 1.115 93 R CA -0.232 55.100 56.100 -1.281 0.000 1.058 93 R CB 1.525 31.317 30.300 -0.847 0.000 1.389 93 R HN -0.035 nan 8.270 nan 0.000 0.582 94 V N 1.139 120.772 119.914 -0.470 0.000 2.638 94 V HA 0.403 4.523 4.120 0.000 0.000 0.306 94 V C -1.175 174.953 176.094 0.058 0.000 1.052 94 V CA -0.880 61.351 62.300 -0.115 0.000 0.885 94 V CB 2.119 33.933 31.823 -0.014 0.000 0.999 94 V HN 0.082 nan 8.190 nan 0.000 0.424 95 Y N 4.346 124.768 120.300 0.202 0.000 2.393 95 Y HA 0.720 5.270 4.550 0.000 0.000 0.341 95 Y C -0.069 175.863 175.900 0.054 0.000 0.988 95 Y CA -1.658 56.533 58.100 0.152 0.000 1.078 95 Y CB 2.034 40.585 38.460 0.152 0.000 1.203 95 Y HN 0.438 nan 8.280 nan 0.000 0.453 96 I N 3.364 124.028 120.570 0.157 0.000 2.468 96 I HA 0.304 4.474 4.170 0.000 0.000 0.285 96 I C -0.890 175.013 176.117 -0.356 0.000 1.039 96 I CA -0.591 60.654 61.300 -0.091 0.000 1.074 96 I CB 1.615 39.538 38.000 -0.129 0.000 1.228 96 I HN 0.528 nan 8.210 nan 0.000 0.436 97 N N 5.229 123.740 118.700 -0.315 0.000 2.434 97 N HA 0.395 5.135 4.740 0.000 0.000 0.272 97 N C -1.418 173.726 175.510 -0.609 0.000 1.040 97 N CA -0.396 52.410 53.050 -0.406 0.000 0.956 97 N CB 0.867 39.231 38.487 -0.206 0.000 1.108 97 N HN 0.388 nan 8.380 nan 0.000 0.481 98 Y N 1.931 122.023 120.300 -0.346 0.000 2.320 98 Y HA 0.331 4.881 4.550 -0.000 0.000 0.334 98 Y C -0.683 174.913 175.900 -0.506 0.000 1.055 98 Y CA -0.528 57.421 58.100 -0.251 0.000 1.143 98 Y CB 0.789 39.208 38.460 -0.069 0.000 1.193 98 Y HN 0.438 nan 8.280 nan 0.000 0.477 99 Y N 1.513 121.837 120.300 0.040 0.000 2.329 99 Y HA 0.192 4.742 4.550 0.000 0.000 0.328 99 Y C -0.586 175.363 175.900 0.081 0.000 0.992 99 Y CA -1.395 56.718 58.100 0.020 0.000 1.151 99 Y CB 1.363 39.777 38.460 -0.078 0.000 1.150 99 Y HN 0.513 nan 8.280 nan 0.000 0.450 100 D N 4.546 125.066 120.400 0.200 0.000 2.411 100 D HA 0.193 4.833 4.640 0.000 0.000 0.225 100 D C -0.498 175.892 176.300 0.149 0.000 1.156 100 D CA -0.155 53.930 54.000 0.141 0.000 0.874 100 D CB 0.553 41.404 40.800 0.085 0.000 1.034 100 D HN 0.328 nan 8.370 nan 0.000 0.502 101 M N 2.589 122.278 119.600 0.148 0.000 2.249 101 M HA 0.176 4.656 4.480 0.000 0.000 0.351 101 M C 0.526 176.874 176.300 0.080 0.000 1.180 101 M CA -0.480 54.897 55.300 0.128 0.000 1.127 101 M CB 0.731 33.410 32.600 0.131 0.000 1.546 101 M HN 0.301 nan 8.290 nan 0.000 0.461 102 N N 1.334 120.082 118.700 0.081 0.000 2.514 102 N HA 0.246 4.986 4.740 0.000 0.000 0.277 102 N C 0.598 176.156 175.510 0.080 0.000 1.126 102 N CA 0.184 53.274 53.050 0.066 0.000 0.978 102 N CB 1.455 39.980 38.487 0.064 0.000 1.106 102 N HN 0.721 nan 8.380 nan 0.000 0.461 103 A N 3.970 126.836 122.820 0.076 0.000 1.986 103 A HA -0.171 4.149 4.320 0.000 0.000 0.220 103 A C 1.950 179.637 177.584 0.172 0.000 1.171 103 A CA 2.152 54.266 52.037 0.129 0.000 0.640 103 A CB -0.747 18.323 19.000 0.116 0.000 0.811 103 A HN 0.795 nan 8.150 nan 0.000 0.451 104 A N -0.815 122.075 122.820 0.116 0.000 2.168 104 A HA -0.023 4.297 4.320 0.000 0.000 0.215 104 A C 1.402 179.043 177.584 0.094 0.000 1.152 104 A CA 1.133 53.230 52.037 0.099 0.000 0.716 104 A CB -0.287 18.754 19.000 0.070 0.000 0.794 104 A HN 0.478 nan 8.150 nan 0.000 0.465 105 N N -0.290 118.470 118.700 0.101 0.000 2.251 105 N HA 0.198 4.938 4.740 0.000 0.000 0.217 105 N C -0.881 174.693 175.510 0.106 0.000 1.124 105 N CA 0.318 53.421 53.050 0.087 0.000 0.843 105 N CB 1.034 39.566 38.487 0.075 0.000 1.024 105 N HN 0.135 nan 8.380 nan 0.000 0.501 106 V N 0.135 120.149 119.914 0.167 0.000 2.443 106 V HA 0.598 4.718 4.120 0.000 0.000 0.293 106 V C 0.486 176.724 176.094 0.241 0.000 1.021 106 V CA -1.109 61.330 62.300 0.231 0.000 0.848 106 V CB 1.540 33.569 31.823 0.343 0.000 0.998 106 V HN 0.101 nan 8.190 nan 0.000 0.424 107 G N 3.167 112.063 108.800 0.159 0.000 2.367 107 G HA2 0.594 4.554 3.960 0.000 0.000 0.314 107 G HA3 0.594 4.554 3.960 0.000 0.000 0.314 107 G C -1.568 173.429 174.900 0.161 0.000 1.130 107 G CA -0.437 44.721 45.100 0.098 0.000 0.864 107 G HN 0.835 nan 8.290 nan 0.000 0.486 108 W N 2.431 123.617 121.300 -0.190 0.000 3.571 108 W HA 0.404 5.064 4.660 -0.000 0.000 0.294 108 W C -0.118 176.273 176.519 -0.214 0.000 1.257 108 W CA -0.860 56.364 57.345 -0.202 0.000 1.206 108 W CB 0.620 29.872 29.460 -0.347 0.000 1.325 108 W HN 0.796 nan 8.180 nan 0.000 0.546 109 N N 4.776 122.878 118.700 -0.996 0.000 2.688 109 N HA -0.333 4.407 4.740 0.000 0.000 0.258 109 N C 0.151 175.345 175.510 -0.526 0.000 1.016 109 N CA 1.564 54.007 53.050 -1.011 0.000 0.747 109 N CB -0.873 36.507 38.487 -1.844 0.000 0.895 109 N HN 0.864 nan 8.380 nan 0.000 0.543 110 N N -1.425 117.083 118.700 -0.321 0.000 2.753 110 N HA -0.219 4.521 4.740 0.000 0.000 0.251 110 N C -0.518 174.901 175.510 -0.151 0.000 1.097 110 N CA 1.357 54.289 53.050 -0.198 0.000 0.786 110 N CB -0.862 37.517 38.487 -0.180 0.000 1.137 110 N HN 0.535 nan 8.380 nan 0.000 0.566 111 S N -2.587 113.020 115.700 -0.155 0.000 3.003 111 S HA 0.730 5.200 4.470 0.000 0.000 0.313 111 S C -0.883 173.673 174.600 -0.072 0.000 1.230 111 S CA -0.013 58.130 58.200 -0.095 0.000 0.977 111 S CB 0.915 64.060 63.200 -0.091 0.000 1.340 111 S HN 0.319 nan 8.310 nan 0.000 0.608 112 T N -0.957 113.571 114.554 -0.043 0.000 2.883 112 T HA 0.670 5.020 4.350 0.000 0.000 0.284 112 T C -0.202 174.476 174.700 -0.036 0.000 1.041 112 T CA -0.397 61.697 62.100 -0.009 0.000 1.007 112 T CB 0.594 69.498 68.868 0.060 0.000 1.220 112 T HN 0.309 nan 8.240 nan 0.000 0.552 113 F N 0.989 121.020 119.950 0.134 0.000 2.797 113 F HA 0.526 5.053 4.527 0.000 0.000 0.302 113 F C 1.885 177.725 175.800 0.067 0.000 1.130 113 F CA -0.215 57.850 58.000 0.108 0.000 1.387 113 F CB -0.681 38.348 39.000 0.049 0.000 1.107 113 F HN 0.831 nan 8.300 nan 0.000 0.577 114 A N 0.000 122.936 122.820 0.194 0.000 2.254 114 A HA 0.000 4.320 4.320 0.000 0.000 0.244 114 A CA 0.000 52.113 52.037 0.127 0.000 0.836 114 A CB 0.000 19.053 19.000 0.089 0.000 0.831 114 A HN 0.000 nan 8.150 nan 0.000 0.486