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 2ooj_1_A DATA FIRST_RESID 2 DATA SEQUENCE EXTKVTGKFD VKLTPENAYA TGVGGVNLGR XALDKTFYGE LEARSQGEXL DATA SEQUENCE SAXTAVKGSA GYVAIEQVVG KLCGRQGSFV LQHFGIXTDX XNRLHLEVVP DATA SEQUENCE HSGAGELTGL YGTXAISIEN GQHFYEFSFC FEP 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.511 176.600 -0.148 0.000 1.382 2 E CA 0.000 56.344 56.400 -0.094 0.000 0.976 2 E CB 0.000 29.655 29.700 -0.075 0.000 0.812 5 K N 1.982 122.226 120.400 -0.261 0.000 2.502 5 K HA 0.745 5.064 4.320 -0.001 0.000 0.254 5 K C -0.568 176.069 176.600 0.061 0.000 0.947 5 K CA -0.863 55.383 56.287 -0.067 0.000 0.834 5 K CB 2.124 34.602 32.500 -0.038 0.000 1.112 5 K HN 0.501 nan 8.250 nan 0.000 0.427 6 V N -0.883 119.158 119.914 0.211 0.000 3.001 6 V HA 0.777 4.896 4.120 -0.001 0.000 0.314 6 V C -0.328 175.916 176.094 0.249 0.000 1.099 6 V CA -0.638 61.816 62.300 0.257 0.000 0.989 6 V CB 1.795 33.843 31.823 0.376 0.000 1.040 6 V HN 0.837 nan 8.190 nan 0.000 0.434 7 T N -0.381 114.240 114.554 0.112 0.000 2.906 7 T HA 1.001 5.350 4.350 -0.001 0.000 0.295 7 T C -0.022 174.511 174.700 -0.279 0.000 1.075 7 T CA -0.114 61.925 62.100 -0.101 0.000 1.005 7 T CB 1.605 70.457 68.868 -0.027 0.000 1.136 7 T HN 2.045 nan 8.240 nan 0.000 0.498 8 G N 0.650 109.004 108.800 -0.743 0.000 2.490 8 G HA2 0.552 4.512 3.960 -0.001 0.000 0.308 8 G HA3 0.552 4.512 3.960 -0.001 0.000 0.308 8 G C -1.901 172.916 174.900 -0.139 0.000 1.286 8 G CA -1.100 43.802 45.100 -0.330 0.000 0.825 8 G HN 0.815 nan 8.290 nan 0.000 0.479 9 K N -0.459 120.032 120.400 0.152 0.000 2.118 9 K HA 0.706 5.025 4.320 -0.001 0.000 0.254 9 K C -0.998 175.919 176.600 0.528 0.000 0.961 9 K CA -0.533 55.794 56.287 0.067 0.000 0.876 9 K CB 1.709 34.137 32.500 -0.118 0.000 1.077 9 K HN 0.531 nan 8.250 nan 0.000 0.440 10 F N -1.482 118.581 119.950 0.188 0.000 2.613 10 F HA 0.550 5.076 4.527 -0.002 0.000 0.314 10 F C -1.222 174.556 175.800 -0.036 0.000 1.075 10 F CA -1.179 56.825 58.000 0.006 0.000 0.945 10 F CB 1.502 40.311 39.000 -0.319 0.000 1.310 10 F HN 0.242 nan 8.300 nan 0.000 0.467 11 D N 1.501 121.914 120.400 0.020 0.000 2.248 11 D HA 0.552 5.192 4.640 -0.001 0.000 0.246 11 D C -1.253 174.990 176.300 -0.095 0.000 1.027 11 D CA -0.320 53.637 54.000 -0.072 0.000 0.853 11 D CB 2.575 43.405 40.800 0.050 0.000 1.243 11 D HN 0.613 nan 8.370 nan 0.000 0.462 12 V N 1.386 121.189 119.914 -0.185 0.000 2.709 12 V HA 0.487 4.606 4.120 -0.001 0.000 0.308 12 V C -1.355 174.662 176.094 -0.129 0.000 1.062 12 V CA -0.678 61.530 62.300 -0.153 0.000 0.901 12 V CB 2.108 33.838 31.823 -0.155 0.000 1.003 12 V HN 0.453 nan 8.190 nan 0.000 0.425 13 K N 6.505 126.846 120.400 -0.098 0.000 2.376 13 K HA 0.605 4.925 4.320 -0.001 0.000 0.257 13 K C -1.623 174.937 176.600 -0.065 0.000 0.939 13 K CA -0.686 55.560 56.287 -0.069 0.000 0.809 13 K CB 1.644 34.110 32.500 -0.056 0.000 1.121 13 K HN 0.750 nan 8.250 nan 0.000 0.425 14 L N 2.730 123.923 121.223 -0.051 0.000 2.343 14 L HA 0.459 4.798 4.340 -0.001 0.000 0.275 14 L C -0.229 176.623 176.870 -0.030 0.000 1.056 14 L CA -0.686 54.129 54.840 -0.042 0.000 0.804 14 L CB 2.044 44.083 42.059 -0.033 0.000 1.203 14 L HN 0.696 nan 8.230 nan 0.000 0.440 15 T N 2.507 117.044 114.554 -0.027 0.000 2.841 15 T HA 0.383 4.732 4.350 -0.001 0.000 0.285 15 T C -2.564 172.129 174.700 -0.012 0.000 0.991 15 T CA -1.171 60.918 62.100 -0.018 0.000 0.966 15 T CB 1.949 70.805 68.868 -0.021 0.000 0.962 15 T HN 0.355 nan 8.240 nan 0.000 0.438 16 P HA 0.303 nan 4.420 nan 0.000 0.271 16 P C -0.549 176.751 177.300 0.001 0.000 1.216 16 P CA -0.179 62.922 63.100 0.001 0.000 0.776 16 P CB 1.156 32.858 31.700 0.004 0.000 0.881 17 E N 0.841 121.044 120.200 0.005 0.000 2.423 17 E HA 0.334 4.683 4.350 -0.001 0.000 0.269 17 E C -0.680 175.928 176.600 0.014 0.000 0.948 17 E CA -0.996 55.409 56.400 0.007 0.000 0.802 17 E CB 1.102 30.805 29.700 0.005 0.000 1.339 17 E HN 0.319 nan 8.360 nan 0.000 0.445 18 N N 0.384 119.095 118.700 0.019 0.000 2.444 18 N HA 0.315 5.054 4.740 -0.001 0.000 0.271 18 N C -1.310 174.225 175.510 0.042 0.000 1.069 18 N CA -0.096 52.969 53.050 0.025 0.000 0.965 18 N CB 1.025 39.527 38.487 0.026 0.000 1.092 18 N HN 0.554 nan 8.380 nan 0.000 0.476 19 A N 3.458 126.301 122.820 0.039 0.000 2.354 19 A HA 0.155 4.475 4.320 -0.001 0.000 0.269 19 A C 0.543 178.183 177.584 0.092 0.000 1.109 19 A CA -0.451 51.623 52.037 0.060 0.000 0.800 19 A CB 0.055 19.076 19.000 0.035 0.000 1.045 19 A HN 0.889 nan 8.150 nan 0.000 0.489 20 Y N 2.496 122.792 120.300 -0.007 0.000 2.163 20 Y HA 0.175 4.724 4.550 -0.002 0.000 0.288 20 Y C 1.304 177.201 175.900 -0.006 0.000 1.136 20 Y CA 1.427 59.524 58.100 -0.006 0.000 1.147 20 Y CB -0.256 38.202 38.460 -0.005 0.000 0.987 20 Y HN 0.748 nan 8.280 nan 0.000 0.509 21 A N -0.351 122.445 122.820 -0.039 0.000 2.256 21 A HA 0.612 4.931 4.320 -0.001 0.000 0.318 21 A C -0.364 177.161 177.584 -0.098 0.000 1.103 21 A CA -0.092 51.854 52.037 -0.151 0.000 0.860 21 A CB 0.371 19.358 19.000 -0.020 0.000 1.182 21 A HN 0.235 nan 8.150 nan 0.000 0.501 22 T N 0.499 114.992 114.554 -0.102 0.000 2.829 22 T HA 0.577 4.927 4.350 -0.001 0.000 0.280 22 T C 0.449 175.120 174.700 -0.049 0.000 0.999 22 T CA 0.179 62.238 62.100 -0.068 0.000 0.983 22 T CB 1.526 70.350 68.868 -0.074 0.000 0.968 22 T HN 1.031 nan 8.240 nan 0.000 0.446 23 G N 1.449 110.227 108.800 -0.037 0.000 2.442 23 G HA2 0.522 4.481 3.960 -0.001 0.000 0.249 23 G HA3 0.522 4.481 3.960 -0.001 0.000 0.249 23 G C -0.064 174.819 174.900 -0.030 0.000 1.263 23 G CA -0.396 44.685 45.100 -0.032 0.000 0.846 23 G HN 0.821 nan 8.290 nan 0.000 0.555 24 V N -0.482 119.417 119.914 -0.026 0.000 3.102 24 V HA 0.912 5.032 4.120 -0.001 0.000 0.312 24 V C 0.993 177.076 176.094 -0.019 0.000 1.135 24 V CA -0.241 62.045 62.300 -0.022 0.000 1.022 24 V CB 1.181 32.991 31.823 -0.021 0.000 1.056 24 V HN 2.229 nan 8.190 nan 0.000 0.436 25 G N -0.038 108.752 108.800 -0.016 0.000 2.225 25 G HA2 0.186 4.145 3.960 -0.001 0.000 0.267 25 G HA3 0.186 4.145 3.960 -0.001 0.000 0.267 25 G C 1.478 176.370 174.900 -0.014 0.000 1.024 25 G CA 1.097 46.189 45.100 -0.013 0.000 0.784 25 G HN 2.907 nan 8.290 nan 0.000 0.507 26 G N -3.185 105.606 108.800 -0.015 0.000 2.194 26 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.236 26 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.236 26 G C 0.491 175.380 174.900 -0.019 0.000 0.987 26 G CA 0.370 45.462 45.100 -0.015 0.000 0.635 26 G HN 1.598 nan 8.290 nan 0.000 0.520 27 V N 1.776 121.675 119.914 -0.024 0.000 2.614 27 V HA 0.458 4.578 4.120 -0.001 0.000 0.291 27 V C 0.414 176.490 176.094 -0.030 0.000 1.049 27 V CA -0.413 61.868 62.300 -0.032 0.000 1.038 27 V CB 1.688 33.490 31.823 -0.035 0.000 0.980 27 V HN 0.424 nan 8.190 nan 0.000 0.481 28 N N 4.591 123.270 118.700 -0.034 0.000 2.399 28 N HA 0.473 5.212 4.740 -0.001 0.000 0.280 28 N C -1.234 174.253 175.510 -0.038 0.000 1.008 28 N CA -0.462 52.571 53.050 -0.029 0.000 0.894 28 N CB 1.604 40.080 38.487 -0.019 0.000 1.273 28 N HN 0.533 nan 8.380 nan 0.000 0.486 29 L N 1.586 122.791 121.223 -0.031 0.000 2.344 29 L HA 0.728 5.068 4.340 -0.001 0.000 0.272 29 L C 0.988 177.851 176.870 -0.012 0.000 1.035 29 L CA -0.874 53.948 54.840 -0.030 0.000 0.807 29 L CB 1.794 43.839 42.059 -0.022 0.000 1.237 29 L HN 0.496 nan 8.230 nan 0.000 0.442 30 G N 1.005 109.803 108.800 -0.005 0.000 2.659 30 G HA2 0.703 4.663 3.960 -0.001 0.000 0.296 30 G HA3 0.703 4.663 3.960 -0.001 0.000 0.296 30 G C -1.703 173.210 174.900 0.022 0.000 1.369 30 G CA -0.521 44.588 45.100 0.016 0.000 0.937 30 G HN 0.565 nan 8.290 nan 0.000 0.485 34 L N 2.096 123.276 121.223 -0.072 0.000 2.341 34 L HA 0.617 4.956 4.340 -0.001 0.000 0.278 34 L C -1.020 175.796 176.870 -0.091 0.000 1.005 34 L CA -0.673 54.113 54.840 -0.090 0.000 0.818 34 L CB 2.039 44.025 42.059 -0.121 0.000 1.259 34 L HN 0.675 nan 8.230 nan 0.000 0.418 35 D N 3.515 123.858 120.400 -0.095 0.000 2.696 35 D HA 0.441 5.081 4.640 -0.001 0.000 0.251 35 D C -0.868 175.350 176.300 -0.136 0.000 1.188 35 D CA -0.488 53.452 54.000 -0.101 0.000 0.876 35 D CB 2.950 43.703 40.800 -0.078 0.000 1.334 35 D HN 0.396 nan 8.370 nan 0.000 0.540 36 K N 0.693 120.983 120.400 -0.183 0.000 2.435 36 K HA 0.587 4.907 4.320 -0.001 0.000 0.251 36 K C -0.947 175.439 176.600 -0.356 0.000 0.954 36 K CA -0.730 55.374 56.287 -0.304 0.000 0.820 36 K CB 2.612 34.810 32.500 -0.504 0.000 1.292 36 K HN 0.143 nan 8.250 nan 0.000 0.436 37 T N 1.819 116.103 114.554 -0.450 0.000 2.840 37 T HA 0.467 4.816 4.350 -0.001 0.000 0.287 37 T C -1.024 173.217 174.700 -0.766 0.000 0.991 37 T CA -0.606 61.192 62.100 -0.504 0.000 0.964 37 T CB 0.229 68.849 68.868 -0.413 0.000 0.954 37 T HN 0.223 nan 8.240 nan 0.000 0.438 38 F N 2.557 122.241 119.950 -0.443 0.000 2.404 38 F HA 0.597 5.124 4.527 -0.001 0.000 0.339 38 F C -0.170 175.389 175.800 -0.401 0.000 1.105 38 F CA -0.877 56.931 58.000 -0.321 0.000 1.087 38 F CB 0.882 39.682 39.000 -0.334 0.000 1.143 38 F HN 0.480 nan 8.300 nan 0.000 0.491 39 Y N 0.687 121.227 120.300 0.399 0.000 2.487 39 Y HA 0.732 5.281 4.550 -0.001 0.000 0.337 39 Y C 0.782 176.905 175.900 0.373 0.000 1.076 39 Y CA -0.588 57.686 58.100 0.291 0.000 1.115 39 Y CB 1.549 40.117 38.460 0.181 0.000 1.235 39 Y HN 0.847 nan 8.280 nan 0.000 0.468 40 G N 1.012 110.062 108.800 0.417 0.000 2.601 40 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.224 40 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.224 40 G C 0.739 175.817 174.900 0.297 0.000 1.171 40 G CA 0.025 45.326 45.100 0.335 0.000 1.009 40 G HN 0.460 nan 8.290 nan 0.000 0.589 41 E N -0.167 120.229 120.200 0.325 0.000 2.150 41 E HA 0.001 4.350 4.350 -0.001 0.000 0.193 41 E C 1.277 178.019 176.600 0.236 0.000 0.985 41 E CA 0.886 57.447 56.400 0.269 0.000 0.814 41 E CB -0.053 29.820 29.700 0.288 0.000 0.752 41 E HN 0.396 nan 8.360 nan 0.000 0.466 42 L N 1.946 123.342 121.223 0.288 0.000 2.259 42 L HA 0.183 4.522 4.340 -0.001 0.000 0.288 42 L C -0.358 176.587 176.870 0.126 0.000 1.051 42 L CA -0.065 54.828 54.840 0.088 0.000 0.824 42 L CB 0.883 42.809 42.059 -0.221 0.000 1.206 42 L HN -0.181 nan 8.230 nan 0.000 0.429 43 E N 4.906 125.165 120.200 0.098 0.000 2.149 43 E HA 0.715 5.064 4.350 -0.001 0.000 0.255 43 E C -1.440 175.186 176.600 0.043 0.000 0.888 43 E CA -0.421 56.040 56.400 0.102 0.000 0.742 43 E CB 0.848 30.620 29.700 0.120 0.000 1.164 43 E HN 0.809 nan 8.360 nan 0.000 0.422 44 A N 4.217 127.055 122.820 0.031 0.000 2.610 44 A HA 0.686 5.005 4.320 -0.001 0.000 0.291 44 A C -1.350 176.253 177.584 0.031 0.000 1.086 44 A CA -0.931 51.113 52.037 0.013 0.000 0.677 44 A CB 1.552 20.514 19.000 -0.063 0.000 1.278 44 A HN 0.498 nan 8.150 nan 0.000 0.414 45 R N 0.425 120.917 120.500 -0.014 0.000 2.711 45 R HA 0.778 5.118 4.340 -0.001 0.000 0.284 45 R C -0.647 175.625 176.300 -0.047 0.000 0.968 45 R CA -0.160 55.913 56.100 -0.045 0.000 0.924 45 R CB 1.913 32.176 30.300 -0.063 0.000 1.162 45 R HN 1.079 nan 8.270 nan 0.000 0.465 46 S N 1.200 116.866 115.700 -0.057 0.000 2.569 46 S HA 0.547 5.016 4.470 -0.001 0.000 0.280 46 S C -0.789 173.755 174.600 -0.093 0.000 1.111 46 S CA -0.885 57.269 58.200 -0.077 0.000 0.887 46 S CB 2.788 65.977 63.200 -0.018 0.000 1.095 46 S HN 0.500 nan 8.310 nan 0.000 0.476 47 Q N 0.195 119.938 119.800 -0.094 0.000 2.397 47 Q HA 0.745 5.085 4.340 -0.001 0.000 0.275 47 Q C -0.259 175.690 176.000 -0.086 0.000 1.090 47 Q CA -0.952 54.800 55.803 -0.085 0.000 0.809 47 Q CB 2.395 31.090 28.738 -0.071 0.000 1.362 47 Q HN 1.109 nan 8.270 nan 0.000 0.431 48 G N 1.042 109.791 108.800 -0.084 0.000 2.500 48 G HA2 0.419 4.379 3.960 -0.001 0.000 0.299 48 G HA3 0.419 4.379 3.960 -0.001 0.000 0.299 48 G C -1.472 173.381 174.900 -0.079 0.000 1.242 48 G CA -0.491 44.559 45.100 -0.082 0.000 0.859 48 G HN 0.489 nan 8.290 nan 0.000 0.481 52 S N 0.429 116.122 115.700 -0.011 0.000 2.564 52 S HA 1.011 5.481 4.470 -0.001 0.000 0.274 52 S C -0.788 173.708 174.600 -0.174 0.000 1.124 52 S CA -0.096 58.031 58.200 -0.121 0.000 0.869 52 S CB 2.672 65.890 63.200 0.029 0.000 1.105 52 S HN 1.120 nan 8.310 nan 0.000 0.472 56 A N 0.059 122.870 122.820 -0.015 0.000 2.238 56 A HA 0.573 4.893 4.320 -0.001 0.000 0.208 56 A C 0.749 178.331 177.584 -0.004 0.000 1.177 56 A CA 0.306 52.338 52.037 -0.008 0.000 0.804 56 A CB -0.407 18.588 19.000 -0.008 0.000 0.823 56 A HN 0.838 nan 8.150 nan 0.000 0.482 57 V N 1.397 121.309 119.914 -0.004 0.000 2.472 57 V HA 0.244 4.363 4.120 -0.001 0.000 0.290 57 V C 0.491 176.588 176.094 0.005 0.000 1.037 57 V CA -0.668 61.632 62.300 0.001 0.000 0.908 57 V CB 1.530 33.354 31.823 0.001 0.000 0.985 57 V HN 0.448 nan 8.190 nan 0.000 0.454 58 K N 2.532 122.938 120.400 0.010 0.000 2.448 58 K HA 0.398 4.717 4.320 -0.001 0.000 0.278 58 K C 1.106 177.718 176.600 0.021 0.000 1.009 58 K CA 0.377 56.674 56.287 0.016 0.000 0.995 58 K CB 0.169 32.679 32.500 0.016 0.000 0.917 58 K HN 2.297 nan 8.250 nan 0.000 0.481 59 G N 0.613 109.431 108.800 0.030 0.000 2.155 59 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.257 59 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.257 59 G C 0.054 174.977 174.900 0.039 0.000 0.983 59 G CA 0.385 45.510 45.100 0.042 0.000 0.676 59 G HN 1.057 nan 8.290 nan 0.000 0.528 60 S N 0.257 115.970 115.700 0.021 0.000 2.530 60 S HA 0.866 5.335 4.470 -0.001 0.000 0.322 60 S C 0.232 174.815 174.600 -0.029 0.000 1.085 60 S CA 0.396 58.599 58.200 0.004 0.000 1.096 60 S CB 1.566 64.766 63.200 -0.001 0.000 0.988 60 S HN 1.754 nan 8.310 nan 0.000 0.466 61 A N 2.522 125.306 122.820 -0.058 0.000 2.601 61 A HA 0.898 5.218 4.320 -0.001 0.000 0.291 61 A C -0.557 176.851 177.584 -0.295 0.000 1.075 61 A CA -0.591 51.329 52.037 -0.194 0.000 0.671 61 A CB 1.054 19.931 19.000 -0.205 0.000 1.277 61 A HN 0.915 nan 8.150 nan 0.000 0.417 62 G N -0.766 107.718 108.800 -0.527 0.000 2.571 62 G HA2 0.680 4.639 3.960 -0.001 0.000 0.304 62 G HA3 0.680 4.639 3.960 -0.001 0.000 0.304 62 G C -1.727 172.695 174.900 -0.797 0.000 1.314 62 G CA -0.425 44.375 45.100 -0.500 0.000 0.975 62 G HN 0.644 nan 8.290 nan 0.000 0.485 63 Y N -0.481 119.723 120.300 -0.160 0.000 2.524 63 Y HA 0.664 5.213 4.550 -0.002 0.000 0.347 63 Y C 0.178 176.001 175.900 -0.129 0.000 1.005 63 Y CA -1.048 56.989 58.100 -0.106 0.000 1.025 63 Y CB 2.713 41.144 38.460 -0.048 0.000 1.275 63 Y HN 0.613 nan 8.280 nan 0.000 0.460 64 V N -0.934 119.023 119.914 0.071 0.000 3.078 64 V HA 1.082 5.202 4.120 -0.001 0.000 0.311 64 V C -0.950 175.164 176.094 0.033 0.000 1.138 64 V CA -1.069 61.274 62.300 0.073 0.000 1.007 64 V CB 1.580 33.444 31.823 0.068 0.000 1.045 64 V HN 1.192 nan 8.190 nan 0.000 0.432 65 A N 2.458 125.286 122.820 0.013 0.000 2.612 65 A HA 0.928 5.248 4.320 -0.001 0.000 0.293 65 A C -1.490 176.066 177.584 -0.047 0.000 1.075 65 A CA -0.609 51.347 52.037 -0.135 0.000 0.680 65 A CB 1.704 20.406 19.000 -0.495 0.000 1.279 65 A HN 1.074 nan 8.150 nan 0.000 0.411 66 I N 1.061 121.593 120.570 -0.064 0.000 2.533 66 I HA 0.451 4.621 4.170 -0.001 0.000 0.290 66 I C -0.611 175.474 176.117 -0.053 0.000 1.056 66 I CA -0.273 61.024 61.300 -0.006 0.000 1.057 66 I CB 2.283 40.288 38.000 0.008 0.000 1.240 66 I HN 0.907 nan 8.210 nan 0.000 0.423 67 E N 5.491 125.672 120.200 -0.031 0.000 2.292 67 E HA 0.474 4.823 4.350 -0.001 0.000 0.272 67 E C -1.316 175.219 176.600 -0.107 0.000 0.881 67 E CA -1.031 55.326 56.400 -0.071 0.000 0.754 67 E CB 2.368 32.028 29.700 -0.067 0.000 1.201 67 E HN 0.377 nan 8.360 nan 0.000 0.425 68 Q N 2.419 122.143 119.800 -0.125 0.000 2.303 68 Q HA 0.339 4.678 4.340 -0.001 0.000 0.257 68 Q C -1.520 174.335 176.000 -0.243 0.000 0.941 68 Q CA -0.571 55.130 55.803 -0.170 0.000 0.931 68 Q CB 1.570 30.241 28.738 -0.113 0.000 1.215 68 Q HN 0.502 nan 8.270 nan 0.000 0.437 69 V N 4.822 124.474 119.914 -0.436 0.000 2.427 69 V HA 0.591 4.710 4.120 -0.001 0.000 0.286 69 V C -0.574 175.267 176.094 -0.422 0.000 1.034 69 V CA -0.762 61.209 62.300 -0.549 0.000 0.893 69 V CB 1.711 32.843 31.823 -1.153 0.000 0.982 69 V HN 0.623 nan 8.190 nan 0.000 0.452 70 V N 3.916 123.683 119.914 -0.244 0.000 2.525 70 V HA 0.988 5.107 4.120 -0.001 0.000 0.299 70 V C 0.458 176.500 176.094 -0.086 0.000 1.034 70 V CA 0.532 62.752 62.300 -0.135 0.000 0.863 70 V CB 0.968 32.739 31.823 -0.086 0.000 0.999 70 V HN 1.189 nan 8.190 nan 0.000 0.423 71 G N 3.725 112.499 108.800 -0.043 0.000 2.512 71 G HA2 0.437 4.396 3.960 -0.001 0.000 0.181 71 G HA3 0.437 4.396 3.960 -0.001 0.000 0.181 71 G C -1.301 173.615 174.900 0.028 0.000 1.173 71 G CA -0.437 44.658 45.100 -0.008 0.000 0.988 71 G HN 0.491 nan 8.290 nan 0.000 0.485 72 K N -0.593 119.830 120.400 0.038 0.000 2.324 72 K HA 0.761 5.081 4.320 -0.001 0.000 0.253 72 K C -1.417 175.218 176.600 0.058 0.000 0.932 72 K CA -0.602 55.716 56.287 0.053 0.000 0.799 72 K CB 1.714 34.246 32.500 0.054 0.000 1.154 72 K HN 0.934 nan 8.250 nan 0.000 0.425 73 L N 1.615 122.868 121.223 0.051 0.000 2.343 73 L HA 0.466 4.805 4.340 -0.001 0.000 0.278 73 L C -0.162 176.733 176.870 0.042 0.000 0.996 73 L CA -0.068 54.776 54.840 0.006 0.000 0.831 73 L CB 0.591 42.566 42.059 -0.141 0.000 1.232 73 L HN 0.989 nan 8.230 nan 0.000 0.413 74 C N 4.678 124.034 119.300 0.094 0.000 4.114 74 C HA -0.027 4.432 4.460 -0.001 0.000 0.300 74 C C 1.639 176.685 174.990 0.093 0.000 1.423 74 C CA 0.930 60.027 59.018 0.132 0.000 2.034 74 C CB -2.701 25.167 27.740 0.214 0.000 1.299 74 C HN 1.653 nan 8.230 nan 0.000 0.727 75 G N -0.534 108.310 108.800 0.075 0.000 2.225 75 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.254 75 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.254 75 G C 0.029 174.949 174.900 0.034 0.000 0.988 75 G CA 0.454 45.586 45.100 0.053 0.000 0.625 75 G HN 0.775 nan 8.290 nan 0.000 0.527 76 R N 0.433 120.951 120.500 0.031 0.000 2.254 76 R HA 0.522 4.861 4.340 -0.001 0.000 0.318 76 R C -0.027 176.290 176.300 0.029 0.000 1.031 76 R CA -0.560 55.546 56.100 0.009 0.000 0.905 76 R CB 1.108 31.395 30.300 -0.022 0.000 1.050 76 R HN 0.260 nan 8.270 nan 0.000 0.456 77 Q N 1.828 121.641 119.800 0.021 0.000 2.296 77 Q HA 0.512 4.851 4.340 -0.001 0.000 0.257 77 Q C -0.377 175.646 176.000 0.038 0.000 0.942 77 Q CA 0.082 55.903 55.803 0.030 0.000 0.939 77 Q CB 1.577 30.327 28.738 0.020 0.000 1.198 77 Q HN 0.808 nan 8.270 nan 0.000 0.429 78 G N 1.459 110.293 108.800 0.057 0.000 2.510 78 G HA2 0.564 4.523 3.960 -0.001 0.000 0.277 78 G HA3 0.564 4.523 3.960 -0.001 0.000 0.277 78 G C -1.439 173.507 174.900 0.077 0.000 1.223 78 G CA -0.193 44.950 45.100 0.072 0.000 0.887 78 G HN 1.084 nan 8.290 nan 0.000 0.485 79 S N -1.265 114.505 115.700 0.116 0.000 2.570 79 S HA 0.898 5.368 4.470 -0.001 0.000 0.270 79 S C -1.082 173.640 174.600 0.204 0.000 1.149 79 S CA -0.458 57.778 58.200 0.060 0.000 0.837 79 S CB 2.017 65.210 63.200 -0.012 0.000 1.124 79 S HN 2.142 nan 8.310 nan 0.000 0.465 80 F N -1.649 118.272 119.950 -0.048 0.000 2.741 80 F HA 0.817 5.344 4.527 -0.000 0.000 0.311 80 F C -2.033 173.728 175.800 -0.064 0.000 1.149 80 F CA -1.311 56.662 58.000 -0.045 0.000 0.930 80 F CB 0.710 39.683 39.000 -0.045 0.000 1.312 80 F HN 0.493 nan 8.300 nan 0.000 0.450 81 V N 2.728 122.700 119.914 0.097 0.000 2.459 81 V HA 0.532 4.651 4.120 -0.001 0.000 0.295 81 V C -0.356 175.786 176.094 0.081 0.000 1.029 81 V CA -0.703 61.594 62.300 -0.005 0.000 0.874 81 V CB 1.597 33.431 31.823 0.018 0.000 0.985 81 V HN 0.719 nan 8.190 nan 0.000 0.438 82 L N 4.389 125.616 121.223 0.006 0.000 2.307 82 L HA 0.596 4.936 4.340 -0.001 0.000 0.284 82 L C -0.176 176.757 176.870 0.106 0.000 1.023 82 L CA -0.199 54.659 54.840 0.029 0.000 0.810 82 L CB 1.651 43.682 42.059 -0.047 0.000 1.231 82 L HN 0.666 nan 8.230 nan 0.000 0.423 83 Q N 2.996 122.837 119.800 0.068 0.000 2.333 83 Q HA 0.393 4.732 4.340 -0.001 0.000 0.267 83 Q C -1.409 174.661 176.000 0.117 0.000 1.012 83 Q CA -0.596 55.290 55.803 0.139 0.000 0.824 83 Q CB 1.377 30.157 28.738 0.070 0.000 1.290 83 Q HN 0.593 nan 8.270 nan 0.000 0.449 84 H N 3.163 122.254 119.070 0.035 0.000 2.495 84 H HA 0.438 4.994 4.556 -0.000 0.000 0.348 84 H C -1.535 173.914 175.328 0.201 0.000 1.113 84 H CA -0.686 55.411 56.048 0.082 0.000 1.195 84 H CB 1.641 31.438 29.762 0.059 0.000 1.521 84 H HN 0.562 nan 8.280 nan 0.000 0.509 85 F N 1.374 121.443 119.950 0.198 0.000 2.585 85 F HA 0.491 5.018 4.527 -0.001 0.000 0.319 85 F C -0.953 174.965 175.800 0.196 0.000 1.165 85 F CA -0.355 57.756 58.000 0.185 0.000 0.949 85 F CB 1.783 40.886 39.000 0.172 0.000 1.218 85 F HN 0.602 nan 8.300 nan 0.000 0.453 86 G N 6.911 115.675 108.800 -0.059 0.000 2.617 86 G HA2 0.695 4.655 3.960 -0.001 0.000 0.306 86 G HA3 0.695 4.655 3.960 -0.001 0.000 0.306 86 G C -1.740 173.098 174.900 -0.103 0.000 1.360 86 G CA -0.595 44.545 45.100 0.067 0.000 0.983 86 G HN 0.520 nan 8.290 nan 0.000 0.496 94 R N 0.853 121.431 120.500 0.130 0.000 2.476 94 R HA 0.720 5.060 4.340 -0.001 0.000 0.305 94 R C -1.703 174.718 176.300 0.202 0.000 0.965 94 R CA -0.827 55.366 56.100 0.155 0.000 0.867 94 R CB 1.692 32.100 30.300 0.181 0.000 1.176 94 R HN 0.617 nan 8.270 nan 0.000 0.447 95 L N 3.110 124.455 121.223 0.203 0.000 2.439 95 L HA 0.387 4.726 4.340 -0.001 0.000 0.270 95 L C -1.564 175.467 176.870 0.269 0.000 0.972 95 L CA -0.624 54.355 54.840 0.232 0.000 0.836 95 L CB 1.438 43.600 42.059 0.173 0.000 1.255 95 L HN 0.575 nan 8.230 nan 0.000 0.404 96 H N 4.963 124.143 119.070 0.183 0.000 2.587 96 H HA 0.708 5.264 4.556 -0.001 0.000 0.325 96 H C -1.741 173.629 175.328 0.069 0.000 1.012 96 H CA -0.493 55.624 56.048 0.116 0.000 1.213 96 H CB 1.477 31.304 29.762 0.108 0.000 1.431 96 H HN 0.579 nan 8.280 nan 0.000 0.492 97 L N 4.722 125.796 121.223 -0.249 0.000 2.372 97 L HA 0.471 4.811 4.340 -0.001 0.000 0.274 97 L C -0.960 175.685 176.870 -0.375 0.000 0.988 97 L CA -0.260 54.356 54.840 -0.373 0.000 0.833 97 L CB 1.348 43.175 42.059 -0.387 0.000 1.236 97 L HN 0.803 nan 8.230 nan 0.000 0.410 98 E N 3.292 123.270 120.200 -0.370 0.000 2.293 98 E HA 0.474 4.824 4.350 -0.001 0.000 0.270 98 E C -1.383 175.161 176.600 -0.093 0.000 0.879 98 E CA -0.883 55.366 56.400 -0.253 0.000 0.756 98 E CB 2.401 31.881 29.700 -0.368 0.000 1.208 98 E HN 0.410 nan 8.360 nan 0.000 0.428 99 V N 3.813 123.717 119.914 -0.017 0.000 2.479 99 V HA 0.015 4.134 4.120 -0.001 0.000 0.281 99 V C 0.239 176.340 176.094 0.011 0.000 1.031 99 V CA -0.224 62.100 62.300 0.041 0.000 1.038 99 V CB 0.957 32.780 31.823 -0.001 0.000 0.981 99 V HN 0.476 nan 8.190 nan 0.000 0.478 100 V N 9.169 129.108 119.914 0.042 0.000 2.529 100 V HA 0.089 4.208 4.120 -0.001 0.000 0.292 100 V C -1.866 174.233 176.094 0.009 0.000 1.028 100 V CA -1.117 61.201 62.300 0.030 0.000 1.074 100 V CB 0.659 32.511 31.823 0.048 0.000 0.958 100 V HN 0.795 nan 8.190 nan 0.000 0.481 101 P HA 0.049 nan 4.420 nan 0.000 0.262 101 P C 0.204 177.466 177.300 -0.063 0.000 1.182 101 P CA 0.564 63.586 63.100 -0.129 0.000 0.761 101 P CB -0.027 31.622 31.700 -0.086 0.000 0.795 102 H N -0.053 119.037 119.070 0.033 0.000 3.047 102 H HA -0.190 4.365 4.556 -0.001 0.000 0.263 102 H C 1.243 176.601 175.328 0.049 0.000 1.168 102 H CA 1.042 57.114 56.048 0.040 0.000 1.152 102 H CB -1.939 27.841 29.762 0.031 0.000 1.278 102 H HN 0.488 nan 8.280 nan 0.000 0.339 103 S N -0.615 115.155 115.700 0.117 0.000 2.496 103 S HA 0.088 4.558 4.470 -0.001 0.000 0.224 103 S C 1.618 176.301 174.600 0.139 0.000 0.996 103 S CA 0.154 58.423 58.200 0.116 0.000 0.927 103 S CB 0.317 63.580 63.200 0.104 0.000 0.774 103 S HN 0.611 nan 8.310 nan 0.000 0.524 104 G N 0.950 109.834 108.800 0.140 0.000 2.398 104 G HA2 0.548 4.507 3.960 -0.001 0.000 0.246 104 G HA3 0.548 4.507 3.960 -0.001 0.000 0.246 104 G C -0.263 174.722 174.900 0.141 0.000 1.289 104 G CA 0.052 45.249 45.100 0.163 0.000 0.869 104 G HN 0.774 nan 8.290 nan 0.000 0.543 105 A N 1.182 124.083 122.820 0.134 0.000 2.532 105 A HA 1.028 5.348 4.320 -0.001 0.000 0.290 105 A C 0.715 178.348 177.584 0.080 0.000 1.143 105 A CA 0.457 52.549 52.037 0.093 0.000 0.728 105 A CB 1.040 20.081 19.000 0.069 0.000 1.317 105 A HN 2.602 nan 8.150 nan 0.000 0.414 106 G N 0.102 108.933 108.800 0.052 0.000 2.509 106 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.259 106 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.259 106 G C 0.379 175.293 174.900 0.024 0.000 1.169 106 G CA 0.581 45.702 45.100 0.034 0.000 0.953 106 G HN 0.942 nan 8.290 nan 0.000 0.563 107 E N 0.451 120.656 120.200 0.010 0.000 2.511 107 E HA 0.196 4.545 4.350 -0.001 0.000 0.196 107 E C 1.962 178.540 176.600 -0.037 0.000 1.066 107 E CA 0.230 56.609 56.400 -0.036 0.000 0.871 107 E CB 0.013 29.683 29.700 -0.049 0.000 0.863 107 E HN 0.409 nan 8.360 nan 0.000 0.520 108 L N 0.824 122.093 121.223 0.077 0.000 2.667 108 L HA 0.113 4.452 4.340 -0.001 0.000 0.232 108 L C 0.483 177.506 176.870 0.255 0.000 1.138 108 L CA -0.183 54.795 54.840 0.229 0.000 0.921 108 L CB 0.068 42.262 42.059 0.224 0.000 1.180 108 L HN -0.081 nan 8.230 nan 0.000 0.487 109 T N 0.934 115.577 114.554 0.148 0.000 2.905 109 T HA 0.186 4.535 4.350 -0.001 0.000 0.299 109 T C 1.273 176.108 174.700 0.225 0.000 1.024 109 T CA 1.268 63.458 62.100 0.148 0.000 1.151 109 T CB 0.774 69.695 68.868 0.088 0.000 0.987 109 T HN 0.640 nan 8.240 nan 0.000 0.535 110 G N 1.847 110.769 108.800 0.204 0.000 2.175 110 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.244 110 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.244 110 G C 0.062 175.042 174.900 0.134 0.000 0.982 110 G CA -0.039 45.182 45.100 0.201 0.000 0.641 110 G HN 0.764 nan 8.290 nan 0.000 0.527 111 L N 1.577 122.845 121.223 0.075 0.000 2.490 111 L HA 0.547 4.887 4.340 -0.001 0.000 0.274 111 L C 0.277 176.977 176.870 -0.283 0.000 1.201 111 L CA 0.083 54.729 54.840 -0.323 0.000 0.869 111 L CB 0.351 42.191 42.059 -0.367 0.000 1.123 111 L HN 0.751 nan 8.230 nan 0.000 0.484 112 Y N 4.507 124.597 120.300 -0.350 0.000 2.492 112 Y HA 0.842 5.391 4.550 -0.001 0.000 0.346 112 Y C -0.073 175.692 175.900 -0.224 0.000 0.997 112 Y CA -0.460 57.505 58.100 -0.225 0.000 1.025 112 Y CB 1.404 39.758 38.460 -0.176 0.000 1.263 112 Y HN 1.180 nan 8.280 nan 0.000 0.454 113 G N 1.944 110.675 108.800 -0.114 0.000 2.320 113 G HA2 0.501 4.460 3.960 -0.001 0.000 0.297 113 G HA3 0.501 4.460 3.960 -0.001 0.000 0.297 113 G C -0.665 174.291 174.900 0.093 0.000 1.344 113 G CA -0.109 44.966 45.100 -0.042 0.000 0.851 113 G HN 1.814 nan 8.290 nan 0.000 0.567 117 I N -1.626 119.093 120.570 0.249 0.000 3.095 117 I HA 0.967 5.136 4.170 -0.001 0.000 0.310 117 I C -0.338 175.943 176.117 0.273 0.000 1.196 117 I CA -0.466 61.048 61.300 0.356 0.000 0.985 117 I CB 2.368 40.632 38.000 0.440 0.000 1.250 117 I HN 1.424 nan 8.210 nan 0.000 0.446 118 S N 2.748 118.626 115.700 0.297 0.000 2.615 118 S HA 0.768 5.237 4.470 -0.001 0.000 0.269 118 S C -1.284 173.402 174.600 0.144 0.000 1.161 118 S CA -0.809 57.499 58.200 0.181 0.000 0.817 118 S CB 1.792 65.066 63.200 0.124 0.000 1.131 118 S HN 0.710 nan 8.310 nan 0.000 0.467 119 I N 0.843 121.435 120.570 0.036 0.000 2.478 119 I HA 0.473 4.642 4.170 -0.001 0.000 0.287 119 I C -0.857 175.259 176.117 -0.002 0.000 1.042 119 I CA -0.329 60.916 61.300 -0.093 0.000 1.067 119 I CB 2.120 39.943 38.000 -0.295 0.000 1.233 119 I HN 0.676 nan 8.210 nan 0.000 0.431 120 E N 4.106 124.358 120.200 0.087 0.000 2.220 120 E HA 0.328 4.677 4.350 -0.001 0.000 0.256 120 E C 0.082 176.718 176.600 0.060 0.000 0.881 120 E CA -0.288 56.163 56.400 0.086 0.000 0.766 120 E CB 1.632 31.407 29.700 0.125 0.000 1.187 120 E HN 0.804 nan 8.360 nan 0.000 0.419 121 N N 2.272 120.975 118.700 0.005 0.000 2.714 121 N HA -0.241 4.499 4.740 -0.001 0.000 0.253 121 N C 1.018 176.507 175.510 -0.035 0.000 1.024 121 N CA 1.337 54.382 53.050 -0.008 0.000 0.726 121 N CB -2.220 36.274 38.487 0.012 0.000 0.908 121 N HN 1.008 nan 8.380 nan 0.000 0.542 122 G N -2.301 106.454 108.800 -0.076 0.000 2.220 122 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.269 122 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.269 122 G C 0.136 174.934 174.900 -0.170 0.000 0.977 122 G CA 1.527 46.557 45.100 -0.116 0.000 0.634 122 G HN 1.961 nan 8.290 nan 0.000 0.539 123 Q N 1.507 121.213 119.800 -0.157 0.000 2.274 123 Q HA 0.512 4.851 4.340 -0.001 0.000 0.256 123 Q C 0.122 175.912 176.000 -0.351 0.000 0.927 123 Q CA -0.603 55.052 55.803 -0.246 0.000 0.939 123 Q CB 0.316 28.900 28.738 -0.256 0.000 1.201 123 Q HN 0.517 nan 8.270 nan 0.000 0.426 124 H N 4.030 122.815 119.070 -0.475 0.000 2.610 124 H HA 0.242 4.797 4.556 -0.001 0.000 0.336 124 H C -0.745 174.168 175.328 -0.692 0.000 1.087 124 H CA 0.315 55.986 56.048 -0.629 0.000 1.405 124 H CB 0.497 29.488 29.762 -1.284 0.000 1.460 124 H HN 0.536 nan 8.280 nan 0.000 0.538 125 F N 1.985 121.907 119.950 -0.046 0.000 2.563 125 F HA 0.201 4.728 4.527 -0.000 0.000 0.316 125 F C -0.246 175.832 175.800 0.464 0.000 1.076 125 F CA -1.061 57.025 58.000 0.144 0.000 0.921 125 F CB 1.345 40.370 39.000 0.042 0.000 1.209 125 F HN 0.441 nan 8.300 nan 0.000 0.462 126 Y N -0.187 120.525 120.300 0.687 0.000 2.446 126 Y HA 0.703 5.252 4.550 -0.001 0.000 0.338 126 Y C -0.850 175.271 175.900 0.368 0.000 1.055 126 Y CA -1.193 57.211 58.100 0.507 0.000 1.101 126 Y CB 1.226 39.944 38.460 0.430 0.000 1.221 126 Y HN 0.532 nan 8.280 nan 0.000 0.460 127 E N 3.157 123.601 120.200 0.406 0.000 2.199 127 E HA 0.355 4.704 4.350 -0.001 0.000 0.269 127 E C -2.301 174.605 176.600 0.509 0.000 0.899 127 E CA -0.718 55.895 56.400 0.356 0.000 0.772 127 E CB 1.761 31.592 29.700 0.219 0.000 1.155 127 E HN 0.648 nan 8.360 nan 0.000 0.408 128 F N 2.384 122.534 119.950 0.332 0.000 2.499 128 F HA 0.376 4.902 4.527 -0.000 0.000 0.333 128 F C -0.956 175.000 175.800 0.260 0.000 1.138 128 F CA -1.210 56.940 58.000 0.250 0.000 0.945 128 F CB 1.666 40.796 39.000 0.217 0.000 1.181 128 F HN 0.160 nan 8.300 nan 0.000 0.435 129 S N 7.422 123.267 115.700 0.242 0.000 2.448 129 S HA 0.708 5.177 4.470 -0.001 0.000 0.320 129 S C -0.935 173.549 174.600 -0.194 0.000 1.071 129 S CA -0.346 57.833 58.200 -0.035 0.000 1.113 129 S CB 0.191 63.392 63.200 0.003 0.000 0.972 129 S HN 0.489 nan 8.310 nan 0.000 0.465 130 F N 0.869 120.513 119.950 -0.511 0.000 2.662 130 F HA 0.897 5.424 4.527 -0.001 0.000 0.312 130 F C -0.490 174.997 175.800 -0.522 0.000 1.113 130 F CA -1.325 56.268 58.000 -0.679 0.000 0.951 130 F CB 0.443 38.709 39.000 -1.222 0.000 1.344 130 F HN 0.634 nan 8.300 nan 0.000 0.462 131 C N -0.457 118.613 119.300 -0.384 0.000 3.314 131 C HA 0.830 5.290 4.460 -0.001 0.000 0.344 131 C C -1.893 172.780 174.990 -0.529 0.000 1.461 131 C CA -1.301 57.494 59.018 -0.371 0.000 1.249 131 C CB 1.306 28.907 27.740 -0.232 0.000 1.632 131 C HN 0.892 nan 8.230 nan 0.000 0.452 132 F N 0.305 120.244 119.950 -0.017 0.000 2.507 132 F HA 0.638 5.165 4.527 -0.001 0.000 0.325 132 F C 0.722 176.508 175.800 -0.023 0.000 1.116 132 F CA 0.297 58.288 58.000 -0.016 0.000 0.930 132 F CB 1.376 40.377 39.000 0.001 0.000 1.146 132 F HN 1.027 nan 8.300 nan 0.000 0.447 133 E N 3.982 124.254 120.200 0.120 0.000 2.366 133 E HA 0.391 4.740 4.350 -0.001 0.000 0.266 133 E C -2.204 174.454 176.600 0.096 0.000 1.015 133 E CA -1.538 54.905 56.400 0.072 0.000 0.906 133 E CB -0.738 28.991 29.700 0.048 0.000 0.979 133 E HN 0.447 nan 8.360 nan 0.000 0.443 134 P HA 0.000 nan 4.420 nan 0.000 0.216 134 P CA 0.000 63.133 63.100 0.054 0.000 0.800 134 P CB 0.000 31.722 31.700 0.037 0.000 0.726