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 2obb_1_A DATA FIRST_RESID -1 DATA SEQUENCE NAXTIAVDFD GTIVEHRYPR IGEEIPFAVE TLKLLQQEKH RLILWSVREG DATA SEQUENCE ELLDEAIEWC RARGLEFYAA NKDYPEEXXX HQGFSRKLKA DLFIDDRNVG DATA SEQUENCE GIPDWGIIYE XIKEKKTFAD IYSQ 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 N HA 0.000 nan 4.740 nan 0.000 0.220 -1 N C 0.000 175.528 175.510 0.030 0.000 1.280 -1 N CA 0.000 53.059 53.050 0.016 0.000 0.885 -1 N CB 0.000 38.478 38.487 -0.015 0.000 1.341 3 I N 2.506 123.018 120.570 -0.097 0.000 2.362 3 I HA 0.669 4.842 4.170 0.005 0.000 0.289 3 I C 0.559 176.615 176.117 -0.101 0.000 0.994 3 I CA -1.009 60.221 61.300 -0.117 0.000 1.158 3 I CB 1.590 39.576 38.000 -0.024 0.000 1.315 3 I HN 0.750 nan 8.210 nan 0.000 0.451 4 A N 6.993 129.658 122.820 -0.259 0.000 2.320 4 A HA 0.662 4.985 4.320 0.005 0.000 0.287 4 A C -0.390 177.277 177.584 0.138 0.000 1.181 4 A CA -0.333 51.620 52.037 -0.140 0.000 0.831 4 A CB 0.477 19.218 19.000 -0.431 0.000 1.102 4 A HN 0.487 nan 8.150 nan 0.000 0.513 5 V N 3.429 123.488 119.914 0.241 0.000 2.444 5 V HA 0.243 4.367 4.120 0.005 0.000 0.294 5 V C -0.067 176.215 176.094 0.314 0.000 1.022 5 V CA -0.775 61.718 62.300 0.322 0.000 0.850 5 V CB 1.503 33.577 31.823 0.418 0.000 0.992 5 V HN 1.027 nan 8.190 nan 0.000 0.426 6 D N 1.870 122.451 120.400 0.302 0.000 2.360 6 D HA 0.165 4.808 4.640 0.005 0.000 0.242 6 D C 0.283 176.737 176.300 0.256 0.000 1.184 6 D CA 0.148 54.279 54.000 0.219 0.000 0.930 6 D CB 0.911 41.789 40.800 0.131 0.000 1.161 6 D HN 0.303 nan 8.370 nan 0.000 0.447 7 F N 0.544 120.496 119.950 0.003 0.000 2.394 7 F HA 0.216 4.747 4.527 0.006 0.000 0.269 7 F C 0.341 176.095 175.800 -0.078 0.000 1.012 7 F CA 0.257 58.248 58.000 -0.014 0.000 1.138 7 F CB -0.119 38.853 39.000 -0.045 0.000 1.140 7 F HN 0.266 nan 8.300 nan 0.000 0.623 8 D N 0.888 121.154 120.400 -0.224 0.000 2.401 8 D HA 0.299 4.942 4.640 0.005 0.000 0.254 8 D C 1.101 177.109 176.300 -0.488 0.000 1.192 8 D CA 1.292 54.999 54.000 -0.489 0.000 0.885 8 D CB 0.756 41.237 40.800 -0.532 0.000 1.147 8 D HN 0.733 nan 8.370 nan 0.000 0.478 9 G N 2.489 111.083 108.800 -0.342 0.000 2.199 9 G HA2 -0.317 3.646 3.960 0.005 0.000 0.254 9 G HA3 -0.317 3.646 3.960 0.005 0.000 0.254 9 G C 1.028 175.896 174.900 -0.055 0.000 0.982 9 G CA 0.716 45.729 45.100 -0.144 0.000 0.632 9 G HN 0.543 nan 8.290 nan 0.000 0.529 10 T N -0.476 114.048 114.554 -0.049 0.000 3.182 10 T HA 0.373 4.726 4.350 0.005 0.000 0.244 10 T C 2.290 177.187 174.700 0.329 0.000 0.981 10 T CA 0.994 63.170 62.100 0.126 0.000 1.182 10 T CB 0.156 69.118 68.868 0.155 0.000 1.043 10 T HN 0.197 nan 8.240 nan 0.000 0.424 11 I N 1.718 122.360 120.570 0.119 0.000 2.731 11 I HA 0.151 4.324 4.170 0.005 0.000 0.260 11 I C 0.508 176.526 176.117 -0.164 0.000 1.138 11 I CA 0.253 61.598 61.300 0.075 0.000 1.461 11 I CB 0.554 38.623 38.000 0.115 0.000 1.128 11 I HN 0.105 nan 8.210 nan 0.000 0.438 12 V N -2.175 117.452 119.914 -0.480 0.000 3.001 12 V HA 0.450 4.573 4.120 0.005 0.000 0.314 12 V C -0.207 175.721 176.094 -0.277 0.000 1.099 12 V CA -1.121 60.903 62.300 -0.460 0.000 0.989 12 V CB 1.592 32.905 31.823 -0.849 0.000 1.040 12 V HN 0.008 nan 8.190 nan 0.000 0.434 13 E N 0.725 120.838 120.200 -0.146 0.000 2.467 13 E HA -0.027 4.326 4.350 0.005 0.000 0.264 13 E C -0.362 176.208 176.600 -0.049 0.000 1.020 13 E CA 0.260 56.626 56.400 -0.057 0.000 0.945 13 E CB 0.435 30.126 29.700 -0.016 0.000 0.942 13 E HN 0.921 nan 8.360 nan 0.000 0.449 14 H N 2.689 121.711 119.070 -0.080 0.000 3.089 14 H HA 0.071 4.630 4.556 0.006 0.000 0.262 14 H C 0.256 175.573 175.328 -0.018 0.000 1.160 14 H CA -0.367 55.648 56.048 -0.055 0.000 1.482 14 H CB 0.138 29.879 29.762 -0.035 0.000 1.511 14 H HN 0.113 nan 8.280 nan 0.000 0.483 15 R N 4.516 125.146 120.500 0.217 0.000 2.629 15 R HA -0.028 4.315 4.340 0.005 0.000 0.408 15 R C -0.849 175.555 176.300 0.174 0.000 1.057 15 R CA -0.531 55.645 56.100 0.128 0.000 1.119 15 R CB -0.505 29.821 30.300 0.043 0.000 1.403 15 R HN 0.571 nan 8.270 nan 0.000 0.576 16 Y N 4.296 124.704 120.300 0.180 0.000 2.811 16 Y HA -0.011 4.542 4.550 0.005 0.000 0.334 16 Y C -0.758 175.178 175.900 0.061 0.000 1.247 16 Y CA -0.912 57.268 58.100 0.134 0.000 1.526 16 Y CB 0.771 39.364 38.460 0.222 0.000 1.284 16 Y HN 0.044 nan 8.280 nan 0.000 0.586 17 P HA -0.018 nan 4.420 nan 0.000 0.237 17 P C -0.336 176.770 177.300 -0.322 0.000 1.178 17 P CA 0.911 63.528 63.100 -0.805 0.000 0.766 17 P CB 0.303 31.678 31.700 -0.541 0.000 0.876 18 R N -0.025 120.404 120.500 -0.119 0.000 2.574 18 R HA 0.546 4.889 4.340 0.005 0.000 0.266 18 R C 0.475 176.774 176.300 -0.001 0.000 1.157 18 R CA -0.754 55.320 56.100 -0.043 0.000 1.187 18 R CB 0.515 30.806 30.300 -0.016 0.000 1.179 18 R HN -0.012 nan 8.270 nan 0.000 0.600 19 I N 0.549 121.114 120.570 -0.008 0.000 2.378 19 I HA 0.283 4.456 4.170 0.005 0.000 0.291 19 I C 0.782 176.830 176.117 -0.114 0.000 0.992 19 I CA -0.480 60.773 61.300 -0.078 0.000 1.154 19 I CB 1.866 39.781 38.000 -0.141 0.000 1.315 19 I HN 0.657 nan 8.210 nan 0.000 0.448 20 G N 4.711 113.401 108.800 -0.184 0.000 2.588 20 G HA2 0.265 4.228 3.960 0.005 0.000 0.281 20 G HA3 0.265 4.228 3.960 0.005 0.000 0.281 20 G C -0.124 174.717 174.900 -0.100 0.000 1.236 20 G CA -0.492 44.541 45.100 -0.112 0.000 0.969 20 G HN 0.564 nan 8.290 nan 0.000 0.504 21 E N 0.089 120.279 120.200 -0.016 0.000 2.418 21 E HA 0.005 4.358 4.350 0.005 0.000 0.261 21 E C 0.277 176.891 176.600 0.023 0.000 1.070 21 E CA 0.068 56.496 56.400 0.047 0.000 0.931 21 E CB 1.003 30.726 29.700 0.039 0.000 0.954 21 E HN 0.566 nan 8.360 nan 0.000 0.439 22 E N 1.936 122.216 120.200 0.133 0.000 2.384 22 E HA 0.003 4.356 4.350 0.005 0.000 0.266 22 E C -0.100 176.526 176.600 0.043 0.000 1.012 22 E CA -0.565 55.914 56.400 0.132 0.000 0.901 22 E CB 0.501 30.346 29.700 0.241 0.000 0.967 22 E HN 0.251 nan 8.360 nan 0.000 0.435 23 I N 6.145 126.748 120.570 0.054 0.000 2.618 23 I HA 0.046 4.219 4.170 0.005 0.000 0.284 23 I C -1.946 174.220 176.117 0.082 0.000 1.146 23 I CA -2.001 59.375 61.300 0.126 0.000 1.425 23 I CB -0.054 38.120 38.000 0.289 0.000 1.383 23 I HN 0.406 nan 8.210 nan 0.000 0.562 24 P HA -0.074 nan 4.420 nan 0.000 0.259 24 P C -0.103 177.176 177.300 -0.034 0.000 1.163 24 P CA 0.460 63.450 63.100 -0.184 0.000 0.760 24 P CB -0.016 31.672 31.700 -0.021 0.000 0.762 25 F N 0.113 120.056 119.950 -0.012 0.000 2.914 25 F HA -0.318 4.211 4.527 0.004 0.000 0.304 25 F C 1.722 177.316 175.800 -0.342 0.000 0.712 25 F CA 0.756 58.702 58.000 -0.091 0.000 1.211 25 F CB -2.478 36.526 39.000 0.007 0.000 1.515 25 F HN 0.357 nan 8.300 nan 0.000 0.350 26 A N 0.033 122.572 122.820 -0.469 0.000 1.845 26 A HA -0.046 4.277 4.320 0.005 0.000 0.215 26 A C 2.086 179.211 177.584 -0.764 0.000 1.195 26 A CA 2.311 53.611 52.037 -1.228 0.000 0.616 26 A CB -0.975 17.607 19.000 -0.697 0.000 0.832 26 A HN 0.271 nan 8.150 nan 0.000 0.443 27 V N 0.377 120.096 119.914 -0.324 0.000 2.261 27 V HA -0.293 3.830 4.120 0.005 0.000 0.246 27 V C 2.611 178.602 176.094 -0.172 0.000 1.047 27 V CA 2.422 64.614 62.300 -0.181 0.000 1.015 27 V CB -0.878 30.889 31.823 -0.093 0.000 0.642 27 V HN 0.833 nan 8.190 nan 0.000 0.446 28 E N 0.037 120.158 120.200 -0.132 0.000 2.097 28 E HA -0.279 4.074 4.350 0.005 0.000 0.196 28 E C 2.092 178.629 176.600 -0.106 0.000 1.000 28 E CA 2.172 58.522 56.400 -0.084 0.000 0.804 28 E CB -0.213 29.487 29.700 0.000 0.000 0.740 28 E HN 0.629 nan 8.360 nan 0.000 0.454 29 T N 1.120 115.587 114.554 -0.144 0.000 2.857 29 T HA -0.052 4.302 4.350 0.005 0.000 0.266 29 T C 1.884 176.566 174.700 -0.031 0.000 1.048 29 T CA 0.994 63.040 62.100 -0.090 0.000 1.139 29 T CB -0.115 68.790 68.868 0.063 0.000 0.874 29 T HN 0.148 nan 8.240 nan 0.000 0.455 30 L N 0.317 121.460 121.223 -0.133 0.000 2.056 30 L HA -0.079 4.264 4.340 0.005 0.000 0.207 30 L C 2.615 179.482 176.870 -0.005 0.000 1.078 30 L CA 1.369 56.191 54.840 -0.031 0.000 0.749 30 L CB -0.362 41.645 42.059 -0.085 0.000 0.901 30 L HN 0.177 nan 8.230 nan 0.000 0.433 31 K N -0.317 120.048 120.400 -0.058 0.000 2.057 31 K HA -0.210 4.113 4.320 0.005 0.000 0.207 31 K C 1.949 178.545 176.600 -0.006 0.000 1.049 31 K CA 1.125 57.385 56.287 -0.045 0.000 0.931 31 K CB -0.304 32.155 32.500 -0.070 0.000 0.714 31 K HN 0.030 nan 8.250 nan 0.000 0.440 32 L N 1.372 122.585 121.223 -0.015 0.000 2.042 32 L HA -0.174 4.169 4.340 0.005 0.000 0.210 32 L C 1.722 178.671 176.870 0.131 0.000 1.076 32 L CA 1.629 56.474 54.840 0.009 0.000 0.749 32 L CB -0.420 41.566 42.059 -0.122 0.000 0.893 32 L HN 0.176 nan 8.230 nan 0.000 0.432 33 L N -1.181 120.157 121.223 0.193 0.000 2.046 33 L HA -0.257 4.087 4.340 0.005 0.000 0.208 33 L C 2.648 179.666 176.870 0.246 0.000 1.077 33 L CA 1.441 56.467 54.840 0.310 0.000 0.747 33 L CB -0.603 41.628 42.059 0.286 0.000 0.896 33 L HN 0.380 nan 8.230 nan 0.000 0.432 34 Q N -0.280 119.603 119.800 0.138 0.000 2.096 34 Q HA -0.291 4.053 4.340 0.005 0.000 0.204 34 Q C 2.209 178.231 176.000 0.038 0.000 0.982 34 Q CA 1.693 57.541 55.803 0.075 0.000 0.850 34 Q CB -0.216 28.541 28.738 0.031 0.000 0.901 34 Q HN 0.594 nan 8.270 nan 0.000 0.422 35 Q N 0.274 120.097 119.800 0.038 0.000 2.291 35 Q HA -0.136 4.208 4.340 0.005 0.000 0.206 35 Q C 1.102 177.109 176.000 0.012 0.000 0.976 35 Q CA 0.793 56.607 55.803 0.019 0.000 0.875 35 Q CB 0.146 28.895 28.738 0.017 0.000 0.927 35 Q HN 0.437 nan 8.270 nan 0.000 0.450 36 E N 0.207 120.426 120.200 0.031 0.000 2.465 36 E HA -0.010 4.343 4.350 0.005 0.000 0.191 36 E C -0.030 176.443 176.600 -0.210 0.000 1.053 36 E CA 0.057 56.435 56.400 -0.036 0.000 0.869 36 E CB 0.506 30.241 29.700 0.060 0.000 0.977 36 E HN 0.093 nan 8.360 nan 0.000 0.483 37 K N 0.191 120.503 120.400 -0.147 0.000 3.470 37 K HA -0.104 4.219 4.320 0.005 0.000 0.305 37 K C -0.216 176.258 176.600 -0.210 0.000 1.363 37 K CA 0.552 56.739 56.287 -0.166 0.000 0.927 37 K CB -2.244 30.155 32.500 -0.168 0.000 1.355 37 K HN 0.356 nan 8.250 nan 0.000 0.466 38 H N 1.182 120.251 119.070 -0.002 0.000 2.615 38 H HA 0.267 4.826 4.556 0.005 0.000 0.363 38 H C 0.746 176.062 175.328 -0.021 0.000 1.148 38 H CA 0.040 56.080 56.048 -0.014 0.000 1.401 38 H CB 0.643 30.416 29.762 0.018 0.000 1.461 38 H HN 0.002 nan 8.280 nan 0.000 0.588 39 R N 1.726 122.266 120.500 0.067 0.000 2.368 39 R HA 0.398 4.742 4.340 0.005 0.000 0.302 39 R C -0.327 176.036 176.300 0.105 0.000 1.002 39 R CA -0.643 55.461 56.100 0.006 0.000 0.929 39 R CB 1.116 31.271 30.300 -0.242 0.000 1.073 39 R HN 0.344 nan 8.270 nan 0.000 0.464 40 L N 4.941 126.288 121.223 0.207 0.000 2.296 40 L HA 0.529 4.872 4.340 0.005 0.000 0.286 40 L C -0.260 176.872 176.870 0.437 0.000 1.023 40 L CA -0.577 54.455 54.840 0.319 0.000 0.812 40 L CB 1.282 43.567 42.059 0.377 0.000 1.223 40 L HN 0.475 nan 8.230 nan 0.000 0.421 41 I N 4.039 124.777 120.570 0.281 0.000 2.406 41 I HA 0.227 4.400 4.170 0.005 0.000 0.290 41 I C -0.335 175.783 176.117 0.002 0.000 0.999 41 I CA -0.870 60.532 61.300 0.171 0.000 1.124 41 I CB 2.284 40.319 38.000 0.057 0.000 1.289 41 I HN 0.380 nan 8.210 nan 0.000 0.441 42 L N 7.357 128.363 121.223 -0.361 0.000 2.455 42 L HA 0.106 4.449 4.340 0.005 0.000 0.272 42 L C -0.957 175.936 176.870 0.037 0.000 1.174 42 L CA 0.603 55.146 54.840 -0.494 0.000 0.869 42 L CB 0.158 41.611 42.059 -1.009 0.000 1.130 42 L HN 0.638 nan 8.230 nan 0.000 0.474 43 W N 6.847 128.084 121.300 -0.105 0.000 2.517 43 W HA 0.477 5.140 4.660 0.005 0.000 0.301 43 W C -1.023 175.506 176.519 0.016 0.000 1.002 43 W CA -0.633 56.709 57.345 -0.005 0.000 1.415 43 W CB 1.514 31.021 29.460 0.078 0.000 1.275 43 W HN 0.586 nan 8.180 nan 0.000 0.413 44 S N 2.674 118.333 115.700 -0.068 0.000 2.549 44 S HA 0.272 4.745 4.470 0.005 0.000 0.280 44 S C 0.572 175.036 174.600 -0.227 0.000 1.109 44 S CA -0.469 57.646 58.200 -0.141 0.000 0.905 44 S CB 1.673 64.858 63.200 -0.026 0.000 1.081 44 S HN 0.578 nan 8.310 nan 0.000 0.477 45 V N 2.122 121.898 119.914 -0.230 0.000 2.913 45 V HA 0.208 4.331 4.120 0.005 0.000 0.260 45 V C 0.912 176.963 176.094 -0.072 0.000 1.098 45 V CA 0.700 62.882 62.300 -0.196 0.000 1.121 45 V CB -1.119 30.573 31.823 -0.219 0.000 0.714 45 V HN 0.727 nan 8.190 nan 0.000 0.487 46 R N 2.006 122.504 120.500 -0.003 0.000 2.537 46 R HA 0.220 4.563 4.340 0.005 0.000 0.281 46 R C 0.011 176.326 176.300 0.025 0.000 0.988 46 R CA 0.575 56.722 56.100 0.079 0.000 1.077 46 R CB 0.152 30.498 30.300 0.077 0.000 0.932 46 R HN 0.593 nan 8.270 nan 0.000 0.409 47 E N 0.900 121.125 120.200 0.042 0.000 2.416 47 E HA 0.390 4.743 4.350 0.005 0.000 0.273 47 E C 0.488 177.102 176.600 0.023 0.000 0.935 47 E CA -0.268 56.148 56.400 0.027 0.000 0.784 47 E CB 1.944 31.662 29.700 0.030 0.000 1.301 47 E HN 0.673 nan 8.360 nan 0.000 0.454 48 G N 1.736 110.546 108.800 0.017 0.000 2.566 48 G HA2 -0.438 3.525 3.960 0.005 0.000 0.280 48 G HA3 -0.438 3.525 3.960 0.005 0.000 0.280 48 G C 0.985 175.886 174.900 0.002 0.000 1.225 48 G CA 0.925 46.031 45.100 0.011 0.000 0.966 48 G HN 0.700 nan 8.290 nan 0.000 0.560 49 E N -0.083 120.116 120.200 -0.001 0.000 2.114 49 E HA -0.153 4.200 4.350 0.005 0.000 0.199 49 E C 2.680 179.269 176.600 -0.017 0.000 1.008 49 E CA 1.932 58.327 56.400 -0.007 0.000 0.810 49 E CB -0.258 29.436 29.700 -0.009 0.000 0.739 49 E HN 0.528 nan 8.360 nan 0.000 0.456 50 L N 0.085 121.296 121.223 -0.020 0.000 2.141 50 L HA -0.145 4.198 4.340 0.005 0.000 0.209 50 L C 2.570 179.418 176.870 -0.037 0.000 1.094 50 L CA 0.350 55.171 54.840 -0.032 0.000 0.763 50 L CB -0.345 41.697 42.059 -0.029 0.000 0.908 50 L HN 0.293 nan 8.230 nan 0.000 0.437 51 L N 0.025 121.231 121.223 -0.029 0.000 1.994 51 L HA -0.225 4.118 4.340 0.005 0.000 0.208 51 L C 2.117 178.939 176.870 -0.080 0.000 1.071 51 L CA 1.893 56.693 54.840 -0.068 0.000 0.745 51 L CB -0.685 41.352 42.059 -0.036 0.000 0.892 51 L HN 0.197 nan 8.230 nan 0.000 0.431 52 D N -0.247 120.131 120.400 -0.037 0.000 2.116 52 D HA -0.233 4.410 4.640 0.005 0.000 0.193 52 D C 2.078 178.370 176.300 -0.013 0.000 0.998 52 D CA 1.626 55.616 54.000 -0.017 0.000 0.836 52 D CB -0.081 40.717 40.800 -0.003 0.000 0.951 52 D HN 0.514 nan 8.370 nan 0.000 0.449 53 E N 0.447 120.636 120.200 -0.018 0.000 2.085 53 E HA -0.158 4.195 4.350 0.005 0.000 0.194 53 E C 2.098 178.692 176.600 -0.010 0.000 0.994 53 E CA 1.095 57.502 56.400 0.011 0.000 0.801 53 E CB -0.063 29.643 29.700 0.010 0.000 0.743 53 E HN 0.227 nan 8.360 nan 0.000 0.453 54 A N 0.856 123.556 122.820 -0.200 0.000 1.898 54 A HA -0.163 4.161 4.320 0.005 0.000 0.216 54 A C 2.147 179.592 177.584 -0.232 0.000 1.181 54 A CA 1.061 52.740 52.037 -0.596 0.000 0.620 54 A CB -0.480 17.787 19.000 -1.223 0.000 0.819 54 A HN 0.142 nan 8.150 nan 0.000 0.442 55 I N -0.400 120.119 120.570 -0.085 0.000 2.252 55 I HA -0.242 3.931 4.170 0.005 0.000 0.245 55 I C 2.454 178.651 176.117 0.134 0.000 1.102 55 I CA 1.529 62.879 61.300 0.083 0.000 1.385 55 I CB -0.339 37.699 38.000 0.063 0.000 1.064 55 I HN 0.414 nan 8.210 nan 0.000 0.414 56 E N -0.312 119.950 120.200 0.103 0.000 2.110 56 E HA -0.279 4.074 4.350 0.005 0.000 0.193 56 E C 1.883 178.569 176.600 0.142 0.000 0.988 56 E CA 1.485 57.945 56.400 0.099 0.000 0.804 56 E CB -0.232 29.514 29.700 0.078 0.000 0.745 56 E HN 0.563 nan 8.360 nan 0.000 0.458 57 W N 0.779 122.096 121.300 0.028 0.000 2.381 57 W HA -0.224 4.439 4.660 0.006 0.000 0.301 57 W C 2.035 178.610 176.519 0.093 0.000 1.205 57 W CA 1.187 58.578 57.345 0.077 0.000 1.285 57 W CB -0.229 29.321 29.460 0.149 0.000 1.133 57 W HN 0.045 nan 8.180 nan 0.000 0.521 58 C N -0.112 119.461 119.300 0.455 0.000 2.476 58 C HA -0.085 4.378 4.460 0.005 0.000 0.278 58 C C 2.752 177.743 174.990 0.001 0.000 1.274 58 C CA 1.266 60.452 59.018 0.279 0.000 1.713 58 C CB -1.516 26.490 27.740 0.443 0.000 2.039 58 C HN 0.427 nan 8.230 nan 0.000 0.484 59 R N 1.490 122.004 120.500 0.025 0.000 2.103 59 R HA -0.177 4.167 4.340 0.005 0.000 0.242 59 R C 2.101 178.348 176.300 -0.090 0.000 1.142 59 R CA 1.978 58.058 56.100 -0.034 0.000 0.960 59 R CB -0.446 29.855 30.300 0.001 0.000 0.858 59 R HN 0.477 nan 8.270 nan 0.000 0.439 60 A N 0.498 123.246 122.820 -0.121 0.000 2.125 60 A HA -0.097 4.226 4.320 0.005 0.000 0.219 60 A C 1.765 179.214 177.584 -0.225 0.000 1.156 60 A CA 1.169 53.106 52.037 -0.167 0.000 0.671 60 A CB -0.196 18.690 19.000 -0.190 0.000 0.794 60 A HN 0.351 nan 8.150 nan 0.000 0.459 61 R N -1.530 118.802 120.500 -0.279 0.000 2.427 61 R HA 0.288 4.631 4.340 0.005 0.000 0.262 61 R C 1.014 177.204 176.300 -0.184 0.000 0.943 61 R CA 0.510 56.443 56.100 -0.278 0.000 1.081 61 R CB 0.131 30.179 30.300 -0.422 0.000 1.166 61 R HN 0.568 nan 8.270 nan 0.000 0.534 62 G N 1.411 110.122 108.800 -0.148 0.000 2.198 62 G HA2 -0.268 3.695 3.960 0.005 0.000 0.260 62 G HA3 -0.268 3.695 3.960 0.005 0.000 0.260 62 G C -0.394 174.426 174.900 -0.134 0.000 1.025 62 G CA 0.171 45.200 45.100 -0.119 0.000 0.769 62 G HN 0.232 nan 8.290 nan 0.000 0.507 63 L N 0.123 121.251 121.223 -0.160 0.000 2.280 63 L HA 0.863 5.206 4.340 0.005 0.000 0.287 63 L C -0.243 176.433 176.870 -0.324 0.000 1.023 63 L CA -1.079 53.615 54.840 -0.242 0.000 0.819 63 L CB 1.342 43.264 42.059 -0.228 0.000 1.212 63 L HN 0.214 nan 8.230 nan 0.000 0.420 64 E N 3.621 123.608 120.200 -0.355 0.000 2.248 64 E HA 0.471 4.824 4.350 0.005 0.000 0.267 64 E C -1.489 174.911 176.600 -0.334 0.000 0.877 64 E CA -0.611 55.631 56.400 -0.264 0.000 0.759 64 E CB 1.424 31.067 29.700 -0.096 0.000 1.182 64 E HN 0.474 nan 8.360 nan 0.000 0.418 65 F N 2.373 122.363 119.950 0.067 0.000 2.379 65 F HA 0.157 4.688 4.527 0.005 0.000 0.332 65 F C 1.048 176.912 175.800 0.107 0.000 1.096 65 F CA -0.422 57.636 58.000 0.098 0.000 1.105 65 F CB 0.491 39.546 39.000 0.092 0.000 1.189 65 F HN 0.641 nan 8.300 nan 0.000 0.515 66 Y N 2.255 122.687 120.300 0.220 0.000 2.151 66 Y HA 0.086 4.638 4.550 0.003 0.000 0.284 66 Y C 0.713 176.688 175.900 0.125 0.000 1.166 66 Y CA 1.230 59.413 58.100 0.138 0.000 1.163 66 Y CB -0.159 38.372 38.460 0.117 0.000 0.974 66 Y HN 0.531 nan 8.280 nan 0.000 0.511 67 A N -1.251 121.665 122.820 0.160 0.000 2.586 67 A HA 0.772 5.095 4.320 0.005 0.000 0.290 67 A C -1.655 175.968 177.584 0.065 0.000 1.086 67 A CA -0.498 51.547 52.037 0.013 0.000 0.665 67 A CB 0.117 19.068 19.000 -0.083 0.000 1.279 67 A HN 0.594 nan 8.150 nan 0.000 0.423 68 A N 1.136 123.962 122.820 0.010 0.000 2.340 68 A HA 0.640 4.963 4.320 0.005 0.000 0.297 68 A C 0.061 177.680 177.584 0.058 0.000 1.195 68 A CA -0.343 51.685 52.037 -0.015 0.000 0.769 68 A CB -0.210 18.769 19.000 -0.035 0.000 1.163 68 A HN 1.545 nan 8.150 nan 0.000 0.472 69 N N 0.499 119.289 118.700 0.150 0.000 2.714 69 N HA -0.164 4.580 4.740 0.005 0.000 0.250 69 N C -0.367 175.265 175.510 0.203 0.000 1.117 69 N CA 1.998 55.239 53.050 0.318 0.000 0.719 69 N CB -1.212 37.440 38.487 0.275 0.000 1.081 69 N HN 0.865 nan 8.380 nan 0.000 0.557 70 K N -0.917 119.537 120.400 0.090 0.000 2.480 70 K HA 0.343 4.666 4.320 0.005 0.000 0.258 70 K C 0.161 176.774 176.600 0.022 0.000 0.990 70 K CA -0.934 55.391 56.287 0.064 0.000 0.857 70 K CB 1.347 33.883 32.500 0.061 0.000 1.384 70 K HN -0.290 nan 8.250 nan 0.000 0.446 71 D N 0.019 120.447 120.400 0.047 0.000 2.277 71 D HA -0.034 4.609 4.640 0.005 0.000 0.208 71 D C -0.448 176.020 176.300 0.279 0.000 0.962 71 D CA 1.397 55.447 54.000 0.083 0.000 0.865 71 D CB 0.218 41.042 40.800 0.040 0.000 0.939 71 D HN 0.377 nan 8.370 nan 0.000 0.510 72 Y N -1.408 118.945 120.300 0.089 0.000 2.480 72 Y HA 0.288 4.839 4.550 0.001 0.000 0.329 72 Y C -2.581 173.278 175.900 -0.068 0.000 1.127 72 Y CA -1.883 56.240 58.100 0.038 0.000 1.037 72 Y CB 1.642 40.162 38.460 0.101 0.000 1.320 72 Y HN -0.268 nan 8.280 nan 0.000 0.446 73 P HA -0.023 nan 4.420 nan 0.000 0.240 73 P C -0.309 176.579 177.300 -0.685 0.000 1.186 73 P CA 1.366 64.073 63.100 -0.654 0.000 0.755 73 P CB 0.306 31.680 31.700 -0.543 0.000 0.870 74 E N -1.186 118.355 120.200 -1.098 0.000 3.254 74 E HA 0.096 4.449 4.350 0.005 0.000 0.184 74 E C 0.186 176.728 176.600 -0.098 0.000 0.967 74 E CA -0.154 55.947 56.400 -0.498 0.000 1.311 74 E CB 0.408 29.903 29.700 -0.342 0.000 1.071 74 E HN 0.388 nan 8.360 nan 0.000 0.456 80 Q N -0.012 119.941 119.800 0.256 0.000 2.274 80 Q HA 0.289 4.632 4.340 0.005 0.000 0.172 80 Q C 0.885 176.989 176.000 0.174 0.000 0.613 80 Q CA 0.545 56.453 55.803 0.175 0.000 0.789 80 Q CB 0.813 29.638 28.738 0.144 0.000 1.125 80 Q HN 0.558 nan 8.270 nan 0.000 0.501 81 G N 0.856 109.775 108.800 0.199 0.000 4.044 81 G HA2 0.289 4.252 3.960 0.005 0.000 0.297 81 G HA3 0.289 4.252 3.960 0.005 0.000 0.297 81 G C -0.862 174.141 174.900 0.171 0.000 1.101 81 G CA -0.438 44.749 45.100 0.145 0.000 0.884 81 G HN 0.133 nan 8.290 nan 0.000 0.538 82 F N 3.243 123.233 119.950 0.067 0.000 2.563 82 F HA 0.420 4.949 4.527 0.004 0.000 0.363 82 F C 0.845 176.657 175.800 0.020 0.000 1.123 82 F CA 0.030 58.052 58.000 0.037 0.000 1.307 82 F CB 1.126 40.136 39.000 0.017 0.000 1.115 82 F HN 0.163 nan 8.300 nan 0.000 0.592 83 S N 5.319 120.679 115.700 -0.568 0.000 2.546 83 S HA 0.408 4.881 4.470 0.005 0.000 0.274 83 S C 0.491 174.623 174.600 -0.779 0.000 1.121 83 S CA -1.050 56.897 58.200 -0.420 0.000 0.887 83 S CB 2.009 65.094 63.200 -0.191 0.000 1.094 83 S HN 0.838 nan 8.310 nan 0.000 0.474 84 R N 1.184 121.485 120.500 -0.332 0.000 2.081 84 R HA 0.040 4.384 4.340 0.005 0.000 0.235 84 R C 0.707 176.998 176.300 -0.016 0.000 1.131 84 R CA 1.067 57.076 56.100 -0.152 0.000 0.960 84 R CB -0.162 30.187 30.300 0.082 0.000 0.856 84 R HN 0.720 nan 8.270 nan 0.000 0.436 85 K N 1.504 121.913 120.400 0.014 0.000 2.298 85 K HA 0.085 4.408 4.320 0.005 0.000 0.280 85 K C -0.377 176.155 176.600 -0.113 0.000 1.032 85 K CA -0.283 56.073 56.287 0.115 0.000 0.958 85 K CB 0.588 33.149 32.500 0.102 0.000 0.978 85 K HN 0.076 nan 8.250 nan 0.000 0.472 86 L N 4.455 125.459 121.223 -0.366 0.000 2.506 86 L HA -0.053 4.290 4.340 0.005 0.000 0.281 86 L C 1.163 177.915 176.870 -0.196 0.000 1.228 86 L CA 0.575 55.127 54.840 -0.481 0.000 0.850 86 L CB 0.295 41.796 42.059 -0.930 0.000 1.110 86 L HN 0.699 nan 8.230 nan 0.000 0.496 87 K N 2.033 122.318 120.400 -0.192 0.000 2.504 87 K HA 0.188 4.512 4.320 0.005 0.000 0.199 87 K C 0.549 177.054 176.600 -0.157 0.000 1.028 87 K CA -0.251 55.970 56.287 -0.110 0.000 1.164 87 K CB 0.224 32.674 32.500 -0.084 0.000 0.877 87 K HN 0.706 nan 8.250 nan 0.000 0.508 88 A N 1.720 124.348 122.820 -0.319 0.000 2.615 88 A HA -0.121 4.202 4.320 0.005 0.000 0.230 88 A C 0.645 178.019 177.584 -0.349 0.000 1.062 88 A CA 0.327 52.089 52.037 -0.459 0.000 0.758 88 A CB 0.204 18.665 19.000 -0.899 0.000 0.995 88 A HN 0.230 nan 8.150 nan 0.000 0.511 89 D N -0.710 119.531 120.400 -0.266 0.000 2.305 89 D HA 0.176 4.819 4.640 0.005 0.000 0.206 89 D C -0.113 176.104 176.300 -0.138 0.000 0.974 89 D CA 0.954 54.868 54.000 -0.144 0.000 0.871 89 D CB 0.131 40.876 40.800 -0.091 0.000 0.947 89 D HN 0.294 nan 8.370 nan 0.000 0.516 90 L N -0.337 120.713 121.223 -0.287 0.000 2.466 90 L HA 0.381 4.724 4.340 0.005 0.000 0.258 90 L C -1.833 174.810 176.870 -0.378 0.000 0.973 90 L CA -0.633 54.101 54.840 -0.177 0.000 0.826 90 L CB 2.223 44.211 42.059 -0.118 0.000 1.372 90 L HN -0.326 nan 8.230 nan 0.000 0.409 91 F N 4.732 124.701 119.950 0.031 0.000 2.493 91 F HA 0.606 5.137 4.527 0.007 0.000 0.329 91 F C -0.231 175.616 175.800 0.078 0.000 1.126 91 F CA -0.453 57.593 58.000 0.078 0.000 0.937 91 F CB 1.598 40.662 39.000 0.108 0.000 1.146 91 F HN 0.117 nan 8.300 nan 0.000 0.442 92 I N 3.581 124.299 120.570 0.247 0.000 2.354 92 I HA 0.361 4.534 4.170 0.005 0.000 0.286 92 I C -1.067 175.163 176.117 0.187 0.000 1.007 92 I CA -0.279 61.112 61.300 0.152 0.000 1.167 92 I CB 1.314 39.381 38.000 0.111 0.000 1.320 92 I HN 0.486 nan 8.210 nan 0.000 0.458 93 D N 5.530 126.007 120.400 0.129 0.000 2.977 93 D HA 0.049 4.692 4.640 0.005 0.000 0.220 93 D C 0.142 176.467 176.300 0.042 0.000 1.267 93 D CA -0.311 53.753 54.000 0.108 0.000 0.884 93 D CB 2.242 43.126 40.800 0.139 0.000 1.667 93 D HN 0.642 nan 8.370 nan 0.000 0.536 94 D N 2.272 122.681 120.400 0.015 0.000 2.348 94 D HA -0.112 4.531 4.640 0.005 0.000 0.216 94 D C 0.822 177.122 176.300 -0.001 0.000 0.970 94 D CA 0.359 54.358 54.000 -0.001 0.000 0.889 94 D CB 0.214 41.010 40.800 -0.007 0.000 0.912 94 D HN 0.307 nan 8.370 nan 0.000 0.524 95 R N -0.022 120.476 120.500 -0.004 0.000 2.359 95 R HA 0.126 4.469 4.340 0.005 0.000 0.231 95 R C -0.041 176.250 176.300 -0.015 0.000 0.913 95 R CA -0.557 55.535 56.100 -0.014 0.000 1.075 95 R CB 0.007 30.291 30.300 -0.028 0.000 1.087 95 R HN 0.018 nan 8.270 nan 0.000 0.515 96 N N 1.382 120.085 118.700 0.004 0.000 2.412 96 N HA -0.064 4.680 4.740 0.005 0.000 0.254 96 N C -0.114 175.383 175.510 -0.022 0.000 1.232 96 N CA 0.203 53.257 53.050 0.006 0.000 0.880 96 N CB 0.814 39.333 38.487 0.053 0.000 1.076 96 N HN -0.117 nan 8.380 nan 0.000 0.458 97 V N 2.173 122.065 119.914 -0.037 0.000 2.814 97 V HA 0.210 4.333 4.120 0.005 0.000 0.307 97 V C 1.482 177.510 176.094 -0.110 0.000 1.089 97 V CA 1.752 64.013 62.300 -0.064 0.000 1.212 97 V CB 0.154 31.940 31.823 -0.061 0.000 0.912 97 V HN 0.996 nan 8.190 nan 0.000 0.497 98 G N 3.576 112.291 108.800 -0.141 0.000 2.205 98 G HA2 0.015 3.978 3.960 0.005 0.000 0.261 98 G HA3 0.015 3.978 3.960 0.005 0.000 0.261 98 G C 1.489 176.264 174.900 -0.209 0.000 0.980 98 G CA 0.500 45.459 45.100 -0.235 0.000 0.632 98 G HN 2.732 nan 8.290 nan 0.000 0.533 99 G N -0.595 108.141 108.800 -0.107 0.000 2.787 99 G HA2 0.209 4.172 3.960 0.005 0.000 0.685 99 G HA3 0.209 4.172 3.960 0.005 0.000 0.685 99 G C 0.058 174.973 174.900 0.025 0.000 1.437 99 G CA 0.076 45.152 45.100 -0.041 0.000 0.872 99 G HN 2.069 nan 8.290 nan 0.000 0.566 100 I N -0.263 120.331 120.570 0.040 0.000 2.428 100 I HA 0.781 4.954 4.170 0.005 0.000 0.296 100 I C -1.266 174.881 176.117 0.049 0.000 0.985 100 I CA -2.124 59.213 61.300 0.060 0.000 1.260 100 I CB 1.595 39.553 38.000 -0.070 0.000 1.389 100 I HN 0.561 nan 8.210 nan 0.000 0.484 101 P HA 0.295 nan 4.420 nan 0.000 0.284 101 P C -1.257 176.009 177.300 -0.057 0.000 1.292 101 P CA -0.419 62.735 63.100 0.089 0.000 0.800 101 P CB 0.417 32.215 31.700 0.163 0.000 1.188 102 D N -1.706 118.699 120.400 0.007 0.000 2.360 102 D HA -0.030 4.613 4.640 0.005 0.000 0.242 102 D C 0.725 177.026 176.300 0.002 0.000 1.184 102 D CA -0.303 53.713 54.000 0.026 0.000 0.930 102 D CB -0.031 40.858 40.800 0.149 0.000 1.161 102 D HN 0.348 nan 8.370 nan 0.000 0.447 103 W N 0.432 121.810 121.300 0.130 0.000 2.350 103 W HA 0.035 4.698 4.660 0.007 0.000 0.289 103 W C 2.580 179.162 176.519 0.104 0.000 1.215 103 W CA 1.048 58.470 57.345 0.129 0.000 1.236 103 W CB -0.512 29.049 29.460 0.169 0.000 1.130 103 W HN 0.684 nan 8.180 nan 0.000 0.541 104 G N 0.792 109.747 108.800 0.258 0.000 2.529 104 G HA2 -0.315 3.648 3.960 0.005 0.000 0.219 104 G HA3 -0.315 3.648 3.960 0.005 0.000 0.219 104 G C 1.311 176.282 174.900 0.118 0.000 1.177 104 G CA 1.644 46.824 45.100 0.134 0.000 0.773 104 G HN 0.212 nan 8.290 nan 0.000 0.573 105 I N 0.572 121.167 120.570 0.041 0.000 2.406 105 I HA 0.028 4.201 4.170 0.005 0.000 0.249 105 I C 2.619 178.684 176.117 -0.086 0.000 1.122 105 I CA 0.358 61.627 61.300 -0.053 0.000 1.431 105 I CB -0.133 37.804 38.000 -0.104 0.000 1.087 105 I HN 0.147 nan 8.210 nan 0.000 0.424 106 I N -0.479 120.049 120.570 -0.069 0.000 2.118 106 I HA -0.389 3.784 4.170 0.005 0.000 0.241 106 I C 2.547 178.680 176.117 0.026 0.000 1.070 106 I CA 1.835 63.079 61.300 -0.094 0.000 1.327 106 I CB -0.507 37.376 38.000 -0.195 0.000 1.034 106 I HN 0.239 nan 8.210 nan 0.000 0.405 107 Y N 1.776 122.101 120.300 0.042 0.000 2.097 107 Y HA -0.214 4.338 4.550 0.004 0.000 0.282 107 Y C 1.790 177.684 175.900 -0.010 0.000 1.152 107 Y CA 1.434 59.565 58.100 0.051 0.000 1.136 107 Y CB -0.415 38.100 38.460 0.092 0.000 0.975 107 Y HN 0.199 nan 8.280 nan 0.000 0.498 111 K N 1.993 122.196 120.400 -0.328 0.000 2.025 111 K HA -0.039 4.284 4.320 0.005 0.000 0.207 111 K C 1.524 178.013 176.600 -0.185 0.000 1.049 111 K CA 1.759 57.856 56.287 -0.316 0.000 0.933 111 K CB 0.146 32.270 32.500 -0.627 0.000 0.714 111 K HN 0.180 nan 8.250 nan 0.000 0.438 112 E N 0.603 120.695 120.200 -0.180 0.000 2.474 112 E HA 0.039 4.392 4.350 0.005 0.000 0.195 112 E C -0.642 175.903 176.600 -0.092 0.000 1.039 112 E CA 0.043 56.373 56.400 -0.117 0.000 0.881 112 E CB 0.347 29.980 29.700 -0.111 0.000 0.970 112 E HN 0.182 nan 8.360 nan 0.000 0.486 113 K N 1.217 121.557 120.400 -0.099 0.000 4.387 113 K HA -0.202 4.121 4.320 0.005 0.000 0.290 113 K C -0.625 175.931 176.600 -0.074 0.000 0.936 113 K CA 0.680 56.921 56.287 -0.077 0.000 0.890 113 K CB -0.856 31.614 32.500 -0.049 0.000 1.617 113 K HN 0.021 nan 8.250 nan 0.000 0.437 114 K N 0.455 120.796 120.400 -0.098 0.000 2.464 114 K HA 0.367 4.690 4.320 0.005 0.000 0.253 114 K C -0.024 176.506 176.600 -0.115 0.000 0.933 114 K CA -0.787 55.443 56.287 -0.096 0.000 0.801 114 K CB 1.917 34.347 32.500 -0.117 0.000 1.271 114 K HN 0.333 nan 8.250 nan 0.000 0.430 115 T N -1.608 112.907 114.554 -0.065 0.000 2.912 115 T HA 0.304 4.657 4.350 0.005 0.000 0.280 115 T C 1.131 175.820 174.700 -0.017 0.000 0.989 115 T CA -0.568 61.517 62.100 -0.024 0.000 0.995 115 T CB 0.328 69.235 68.868 0.066 0.000 1.077 115 T HN 0.355 nan 8.240 nan 0.000 0.531 116 F N 0.740 120.729 119.950 0.066 0.000 2.154 116 F HA -0.025 4.506 4.527 0.005 0.000 0.301 116 F C 2.918 178.847 175.800 0.214 0.000 1.087 116 F CA 1.694 59.792 58.000 0.165 0.000 1.274 116 F CB -1.002 38.117 39.000 0.198 0.000 1.009 116 F HN 0.787 nan 8.300 nan 0.000 0.485 117 A N 0.233 123.236 122.820 0.306 0.000 1.865 117 A HA -0.227 4.096 4.320 0.005 0.000 0.217 117 A C 2.072 179.745 177.584 0.149 0.000 1.191 117 A CA 2.133 54.294 52.037 0.206 0.000 0.623 117 A CB -0.966 18.111 19.000 0.128 0.000 0.826 117 A HN 0.299 nan 8.150 nan 0.000 0.444 118 D N 0.253 120.700 120.400 0.079 0.000 2.103 118 D HA -0.180 4.463 4.640 0.005 0.000 0.190 118 D C 1.967 178.263 176.300 -0.007 0.000 0.997 118 D CA 1.439 55.453 54.000 0.023 0.000 0.833 118 D CB -0.498 40.292 40.800 -0.016 0.000 0.961 118 D HN 0.329 nan 8.370 nan 0.000 0.447 119 I N 0.369 120.900 120.570 -0.065 0.000 2.113 119 I HA -0.306 3.867 4.170 0.005 0.000 0.242 119 I C 2.447 178.423 176.117 -0.235 0.000 1.064 119 I CA 1.548 62.718 61.300 -0.216 0.000 1.320 119 I CB -1.251 36.511 38.000 -0.396 0.000 1.028 119 I HN 0.105 nan 8.210 nan 0.000 0.406 120 Y N 1.319 121.648 120.300 0.049 0.000 2.337 120 Y HA -0.030 4.523 4.550 0.005 0.000 0.293 120 Y C 1.977 177.895 175.900 0.031 0.000 1.123 120 Y CA 0.404 58.532 58.100 0.047 0.000 1.201 120 Y CB -0.554 37.946 38.460 0.066 0.000 1.011 120 Y HN 0.151 nan 8.280 nan 0.000 0.545 121 S N 2.549 118.338 115.700 0.149 0.000 2.516 121 S HA 0.204 4.677 4.470 0.005 0.000 0.282 121 S C -0.206 174.424 174.600 0.051 0.000 1.286 121 S CA -0.821 57.433 58.200 0.090 0.000 1.066 121 S CB 0.416 63.658 63.200 0.070 0.000 0.884 121 S HN 0.432 nan 8.310 nan 0.000 0.491 122 Q N 0.000 119.828 119.800 0.047 0.000 2.315 122 Q HA 0.000 4.343 4.340 0.005 0.000 0.214 122 Q CA 0.000 55.821 55.803 0.030 0.000 1.022 122 Q CB 0.000 28.759 28.738 0.034 0.000 1.108 122 Q HN 0.000 nan 8.270 nan 0.000 0.481