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 1fu6_1_A DATA FIRST_RESID 1 DATA SEQUENCE GMNNNMSLQD AEWYWGDISR EEVNEKLRDT ADGTFLVRDA STKMHGDYTL DATA SEQUENCE TLRKGGNNKS IKIFHRDGKY GFSDPLTFNS VVELINHYRN ESLAQYNPKL DATA SEQUENCE DVKLLYPVSK Y VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 1 G C 0.000 174.901 174.900 0.002 0.000 0.946 1 G CA 0.000 45.101 45.100 0.001 0.000 0.502 2 M N 4.778 124.379 119.600 0.001 0.000 2.618 2 M HA 0.015 4.496 4.480 0.002 0.000 0.322 2 M C -0.453 175.847 176.300 0.001 0.000 1.471 2 M CA -0.321 54.980 55.300 0.001 0.000 1.450 2 M CB 0.272 32.872 32.600 0.001 0.000 1.444 2 M HN 0.029 8.320 8.290 0.001 0.000 0.471 3 N N 7.478 126.179 118.700 0.002 0.000 2.807 3 N HA 0.074 4.814 4.740 -0.000 0.000 0.259 3 N C -0.973 174.538 175.510 0.001 0.000 1.149 3 N CA 0.082 53.133 53.050 0.001 0.000 1.042 3 N CB -0.456 38.032 38.487 0.002 0.000 1.367 3 N HN 0.089 8.471 8.380 0.002 0.000 0.516 4 N N 4.187 122.886 118.700 -0.000 0.000 3.050 4 N HA -0.012 4.729 4.740 0.002 0.000 0.289 4 N C -0.922 174.586 175.510 -0.003 0.000 1.209 4 N CA -0.153 52.897 53.050 -0.001 0.000 1.154 4 N CB -0.069 38.417 38.487 -0.002 0.000 1.444 4 N HN -0.118 8.212 8.380 -0.001 0.050 0.529 5 N N 4.715 123.414 118.700 -0.002 0.000 3.034 5 N HA 0.115 4.849 4.740 -0.009 0.000 0.265 5 N C -0.430 175.077 175.510 -0.006 0.000 1.166 5 N CA -0.359 52.688 53.050 -0.006 0.000 1.081 5 N CB 0.046 38.530 38.487 -0.005 0.000 1.378 5 N HN -0.126 8.190 8.380 0.001 0.064 0.520 6 M N 4.880 124.475 119.600 -0.008 0.000 2.725 6 M HA 0.050 4.530 4.480 -0.001 0.000 0.322 6 M C -0.446 175.842 176.300 -0.019 0.000 1.393 6 M CA 0.008 55.303 55.300 -0.008 0.000 1.452 6 M CB -1.519 31.077 32.600 -0.007 0.000 1.242 6 M HN -0.143 8.089 8.290 -0.009 0.052 0.487 7 S N 3.716 119.402 115.700 -0.023 0.000 2.345 7 S HA -0.050 4.393 4.470 -0.045 0.000 0.219 7 S C 0.025 174.592 174.600 -0.056 0.000 1.031 7 S CA 1.398 59.572 58.200 -0.042 0.000 0.984 7 S CB 0.908 64.079 63.200 -0.048 0.000 0.874 7 S HN 0.045 8.302 8.310 -0.014 0.044 0.451 8 L N -1.008 120.183 121.223 -0.053 0.000 2.526 8 L HA 0.230 4.519 4.340 -0.085 0.000 0.263 8 L C -1.219 175.634 176.870 -0.028 0.000 0.943 8 L CA 0.750 55.536 54.840 -0.089 0.000 0.859 8 L CB 0.889 42.827 42.059 -0.201 0.000 1.313 8 L HN -0.044 8.169 8.230 -0.028 0.000 0.406 9 Q N 2.362 122.166 119.800 0.008 0.000 2.181 9 Q HA 0.188 4.620 4.340 0.153 0.000 0.244 9 Q C -1.451 174.687 176.000 0.230 0.000 0.745 9 Q CA -0.236 55.633 55.803 0.110 0.000 0.934 9 Q CB 2.070 30.861 28.738 0.090 0.000 1.220 9 Q HN 0.149 8.410 8.270 -0.015 0.000 0.478 10 D N -0.255 120.245 120.400 0.167 0.000 3.036 10 D HA 0.224 5.049 4.640 0.308 0.000 0.244 10 D C -1.460 174.883 176.300 0.072 0.000 1.337 10 D CA -0.064 54.036 54.000 0.166 0.000 0.829 10 D CB 1.204 42.032 40.800 0.047 0.000 1.478 10 D HN -0.186 8.235 8.370 0.086 0.000 0.570 11 A N 0.356 123.257 122.820 0.136 0.000 2.386 11 A HA 0.071 4.347 4.320 -0.073 0.000 0.248 11 A C 1.285 178.806 177.584 -0.106 0.000 1.082 11 A CA -0.277 51.771 52.037 0.018 0.000 0.789 11 A CB 0.926 20.017 19.000 0.152 0.000 1.025 11 A HN -0.272 8.058 8.150 0.299 0.000 0.490 12 E N 3.074 123.047 120.200 -0.379 0.000 2.441 12 E HA -0.119 4.023 4.350 -0.347 0.000 0.210 12 E C -0.904 175.388 176.600 -0.513 0.000 1.306 12 E CA 1.584 57.677 56.400 -0.511 0.000 1.307 12 E CB -1.489 27.830 29.700 -0.636 0.000 1.297 12 E HN 0.663 8.754 8.360 -0.448 0.000 0.440 13 W N -3.949 117.248 121.300 -0.172 0.000 5.315 13 W HA 0.251 4.923 4.660 -0.353 -0.224 0.156 13 W C -0.124 176.183 176.519 -0.354 0.000 1.387 13 W CA 0.540 57.677 57.345 -0.347 0.000 1.815 13 W CB 1.454 30.638 29.460 -0.460 0.000 0.537 13 W HN 0.441 8.426 8.180 -0.091 0.140 1.106 14 Y N 0.914 121.236 120.300 0.037 0.000 2.904 14 Y HA -0.237 4.672 4.550 0.297 -0.180 0.336 14 Y C -0.682 175.259 175.900 0.068 0.000 1.263 14 Y CA 2.686 60.886 58.100 0.167 0.000 1.547 14 Y CB -0.056 38.553 38.460 0.250 0.000 1.272 14 Y HN -0.296 8.236 8.280 0.419 0.000 0.596 15 W N 5.281 126.365 121.300 -0.360 0.000 3.875 15 W HA -0.109 4.380 4.660 -0.284 0.000 0.221 15 W C -0.190 175.949 176.519 -0.633 0.000 0.947 15 W CA -0.164 56.954 57.345 -0.378 0.000 2.039 15 W CB 3.766 33.126 29.460 -0.167 0.000 0.954 15 W HN 0.622 8.816 8.180 0.025 0.000 0.792 16 G N -1.703 106.870 108.800 -0.379 0.000 4.045 16 G HA2 -0.321 3.453 3.960 -0.310 0.000 0.261 16 G HA3 -0.321 3.365 3.960 -0.455 0.000 0.261 16 G C -1.991 172.733 174.900 -0.293 0.000 1.772 16 G CA 0.039 44.903 45.100 -0.393 0.000 1.264 16 G HN -0.299 7.903 8.290 -0.147 0.000 0.609 17 D N 3.147 123.362 120.400 -0.308 0.000 2.438 17 D HA 0.253 4.938 4.640 -0.046 -0.073 0.257 17 D C -0.894 175.257 176.300 -0.248 0.000 1.148 17 D CA -1.138 52.737 54.000 -0.208 0.000 0.902 17 D CB -0.763 39.894 40.800 -0.238 0.000 1.062 17 D HN 0.042 8.223 8.370 -0.315 0.000 0.518 18 I N -1.783 118.629 120.570 -0.264 0.000 3.767 18 I HA 0.411 4.355 4.170 -0.378 0.000 0.276 18 I C -1.847 174.145 176.117 -0.208 0.000 1.128 18 I CA -2.067 58.998 61.300 -0.392 0.000 1.212 18 I CB 1.939 39.441 38.000 -0.829 0.000 1.369 18 I HN -0.545 7.544 8.210 -0.143 0.035 0.459 19 S N -1.397 114.178 115.700 -0.208 0.000 2.894 19 S HA 0.358 4.783 4.470 -0.076 0.000 0.298 19 S C 1.014 175.564 174.600 -0.084 0.000 1.054 19 S CA -2.197 55.935 58.200 -0.114 0.000 0.903 19 S CB 1.164 64.298 63.200 -0.110 0.000 1.356 19 S HN -0.063 8.072 8.310 -0.292 0.000 0.626 20 R N 0.713 121.181 120.500 -0.054 0.000 2.090 20 R HA -0.125 4.197 4.340 -0.031 0.000 0.228 20 R C 1.386 177.659 176.300 -0.045 0.000 1.110 20 R CA 2.700 58.777 56.100 -0.038 0.000 0.973 20 R CB -0.230 30.058 30.300 -0.021 0.000 0.869 20 R HN 0.492 8.730 8.270 -0.054 0.000 0.440 21 E N -0.287 119.880 120.200 -0.056 0.000 2.058 21 E HA -0.283 4.051 4.350 -0.027 0.000 0.194 21 E C 2.026 178.603 176.600 -0.038 0.000 0.997 21 E CA 3.530 59.904 56.400 -0.044 0.000 0.801 21 E CB -0.452 29.221 29.700 -0.045 0.000 0.746 21 E HN -0.014 8.308 8.360 -0.062 0.000 0.450 22 E N -2.672 117.482 120.200 -0.075 0.000 2.274 22 E HA -0.177 4.191 4.350 0.030 0.000 0.194 22 E C 2.192 178.801 176.600 0.015 0.000 0.996 22 E CA 2.383 58.764 56.400 -0.030 0.000 0.840 22 E CB -0.436 29.204 29.700 -0.101 0.000 0.772 22 E HN 0.354 8.639 8.360 -0.125 0.000 0.491 23 V N -0.484 119.413 119.914 -0.027 0.000 2.515 23 V HA -0.425 3.718 4.120 0.038 0.000 0.250 23 V C 1.718 177.813 176.094 0.003 0.000 1.058 23 V CA 3.362 65.665 62.300 0.005 0.000 1.064 23 V CB -0.851 30.967 31.823 -0.008 0.000 0.675 23 V HN -0.399 7.622 8.190 -0.070 0.127 0.461 24 N N 0.478 119.175 118.700 -0.004 0.000 2.036 24 N HA -0.396 4.340 4.740 -0.006 0.000 0.195 24 N C 1.678 177.193 175.510 0.009 0.000 1.037 24 N CA 3.410 56.459 53.050 -0.001 0.000 0.855 24 N CB -0.143 38.342 38.487 -0.003 0.000 1.033 24 N HN 0.456 8.645 8.380 -0.014 0.182 0.423 25 E N -1.170 119.045 120.200 0.026 0.000 2.051 25 E HA -0.300 4.072 4.350 0.036 0.000 0.192 25 E C 2.582 179.208 176.600 0.043 0.000 0.991 25 E CA 2.644 59.071 56.400 0.044 0.000 0.799 25 E CB 0.122 29.864 29.700 0.070 0.000 0.748 25 E HN -0.678 7.697 8.360 0.025 0.000 0.449 26 K N -1.756 118.677 120.400 0.055 0.000 1.991 26 K HA -0.157 4.181 4.320 0.030 0.000 0.207 26 K C 2.023 178.599 176.600 -0.039 0.000 1.045 26 K CA 2.270 58.575 56.287 0.031 0.000 0.937 26 K CB 0.547 33.097 32.500 0.082 0.000 0.720 26 K HN -0.429 7.868 8.250 0.077 0.000 0.438 27 L N -0.972 120.227 121.223 -0.041 0.000 2.391 27 L HA 0.081 4.337 4.340 -0.140 0.000 0.249 27 L C -0.668 176.166 176.870 -0.060 0.000 1.308 27 L CA 0.020 54.812 54.840 -0.079 0.000 1.209 27 L CB -2.677 39.347 42.059 -0.058 0.000 1.401 27 L HN 0.160 8.272 8.230 -0.008 0.113 0.416 28 R N 2.555 123.015 120.500 -0.066 0.000 1.970 28 R HA 0.017 4.342 4.340 -0.025 0.000 0.200 28 R C 2.149 178.423 176.300 -0.044 0.000 1.457 28 R CA 1.665 57.743 56.100 -0.037 0.000 1.139 28 R CB 0.547 30.838 30.300 -0.014 0.000 0.977 28 R HN -0.105 8.020 8.270 -0.076 0.100 0.477 29 D N -0.819 119.554 120.400 -0.046 0.000 2.133 29 D HA -0.239 4.402 4.640 0.001 0.000 0.192 29 D C 0.408 176.673 176.300 -0.057 0.000 1.001 29 D CA 2.260 56.243 54.000 -0.028 0.000 0.844 29 D CB -0.032 40.776 40.800 0.012 0.000 0.944 29 D HN 0.531 8.875 8.370 -0.044 0.000 0.447 30 T N -3.806 110.642 114.554 -0.177 0.000 2.791 30 T HA -0.097 4.127 4.350 -0.210 0.000 0.323 30 T C -0.648 173.999 174.700 -0.089 0.000 1.082 30 T CA 0.203 62.158 62.100 -0.241 0.000 1.084 30 T CB 0.928 69.511 68.868 -0.476 0.000 0.992 30 T HN -0.180 7.918 8.240 -0.236 0.000 0.547 31 A N 0.208 123.005 122.820 -0.039 0.000 2.628 31 A HA 0.301 4.657 4.320 -0.028 -0.053 0.267 31 A C -2.281 175.298 177.584 -0.009 0.000 1.159 31 A CA -0.737 51.291 52.037 -0.015 0.000 0.972 31 A CB 1.124 20.130 19.000 0.009 0.000 1.211 31 A HN 0.521 8.666 8.150 -0.009 0.000 0.576 32 D N -2.765 117.628 120.400 -0.010 0.000 2.728 32 D HA 0.143 5.003 4.640 -0.010 -0.226 0.249 32 D C 0.307 176.612 176.300 0.008 0.000 1.225 32 D CA -0.115 53.888 54.000 0.006 0.000 0.748 32 D CB 2.054 42.869 40.800 0.025 0.000 1.326 32 D HN -0.746 7.594 8.370 -0.049 0.000 0.426 33 G N 0.293 109.093 108.800 0.000 0.000 2.180 33 G HA2 -0.373 3.654 3.960 -0.012 0.000 0.263 33 G HA3 -0.373 3.653 3.960 0.036 -0.045 0.263 33 G C -0.345 174.552 174.900 -0.005 0.000 0.989 33 G CA 1.147 46.251 45.100 0.006 0.000 0.692 33 G HN 0.445 8.735 8.290 -0.001 0.000 0.526 34 T N 3.139 117.668 114.554 -0.043 0.000 3.016 34 T HA 0.139 4.533 4.350 -0.118 -0.115 0.335 34 T C -1.107 173.589 174.700 -0.008 0.000 1.176 34 T CA -0.246 61.801 62.100 -0.089 0.000 0.987 34 T CB -0.621 68.135 68.868 -0.185 0.000 1.073 34 T HN -0.489 7.628 8.240 -0.054 0.091 0.547 35 F N 7.334 127.230 119.950 -0.091 0.000 2.380 35 F HA 0.374 5.056 4.527 -0.008 -0.159 0.325 35 F C -1.902 173.942 175.800 0.073 0.000 1.136 35 F CA -0.493 57.495 58.000 -0.020 0.000 1.171 35 F CB 1.719 40.691 39.000 -0.046 0.000 1.230 35 F HN -0.605 7.768 8.300 0.121 0.000 0.554 36 L N -4.864 116.406 121.223 0.079 0.000 1.998 36 L HA 0.410 4.776 4.340 -0.225 -0.161 0.194 36 L C -1.410 175.664 176.870 0.341 0.000 1.198 36 L CA 0.331 55.211 54.840 0.067 0.000 1.134 36 L CB 1.876 44.026 42.059 0.151 0.000 2.366 36 L HN -0.053 8.358 8.230 0.301 0.000 0.504 37 V N -3.566 116.554 119.914 0.343 0.000 3.070 37 V HA -0.383 4.054 4.120 0.372 -0.094 0.437 37 V C -1.262 174.966 176.094 0.223 0.000 0.681 37 V CA 0.584 63.102 62.300 0.364 0.000 1.962 37 V CB -1.736 30.402 31.823 0.525 0.000 2.447 37 V HN -0.342 8.005 8.190 0.260 0.000 0.488 38 R N 4.872 125.481 120.500 0.183 0.000 2.730 38 R HA 0.733 5.137 4.340 -0.009 -0.070 0.228 38 R C -1.602 174.808 176.300 0.184 0.000 1.312 38 R CA -1.329 54.823 56.100 0.086 0.000 1.093 38 R CB 2.193 32.506 30.300 0.021 0.000 1.583 38 R HN 0.453 8.755 8.270 0.222 0.101 0.535 39 D N -0.401 120.078 120.400 0.131 0.000 2.358 39 D HA -0.044 4.797 4.640 0.335 0.000 0.287 39 D C 0.782 177.149 176.300 0.111 0.000 1.181 39 D CA 0.728 54.844 54.000 0.193 0.000 1.103 39 D CB 1.780 42.675 40.800 0.158 0.000 1.168 39 D HN -0.307 8.116 8.370 0.034 -0.033 0.552 40 A N -1.649 121.213 122.820 0.069 0.000 2.832 40 A HA -0.241 4.098 4.320 0.033 0.000 0.280 40 A C -1.135 176.481 177.584 0.052 0.000 1.464 40 A CA 1.608 53.673 52.037 0.046 0.000 0.804 40 A CB -1.293 17.727 19.000 0.034 0.000 1.020 40 A HN 0.364 8.556 8.150 0.070 0.000 0.563 41 S N -3.487 112.245 115.700 0.052 0.000 2.630 41 S HA 0.086 4.582 4.470 0.044 0.000 0.173 41 S C -1.357 173.255 174.600 0.020 0.000 1.048 41 S CA -0.006 58.225 58.200 0.052 0.000 1.172 41 S CB 1.498 64.753 63.200 0.092 0.000 1.638 41 S HN -0.226 8.070 8.310 0.046 0.042 0.429 42 T N 1.654 116.197 114.554 -0.018 0.000 2.874 42 T HA 0.320 4.831 4.350 -0.096 -0.219 0.321 42 T C -0.203 174.471 174.700 -0.044 0.000 1.075 42 T CA -0.798 61.259 62.100 -0.072 0.000 0.966 42 T CB 0.293 69.082 68.868 -0.132 0.000 1.001 42 T HN -0.375 7.861 8.240 -0.007 0.000 0.476 43 K N 8.697 129.080 120.400 -0.029 0.000 3.157 43 K HA 0.158 4.461 4.320 -0.029 0.000 0.227 43 K C -0.343 176.258 176.600 0.001 0.000 2.067 43 K CA 0.901 57.179 56.287 -0.016 0.000 1.439 43 K CB 0.355 32.853 32.500 -0.003 0.000 2.372 43 K HN 0.183 8.414 8.250 -0.030 0.000 0.557 44 M N 0.332 119.949 119.600 0.028 0.000 2.257 44 M HA 0.117 4.631 4.480 0.056 0.000 0.229 44 M C 0.137 176.545 176.300 0.180 0.000 1.199 44 M CA 1.208 56.544 55.300 0.061 0.000 1.186 44 M CB 0.956 33.566 32.600 0.018 0.000 1.164 44 M HN -0.007 8.300 8.290 0.028 0.000 0.456 45 H N -0.212 118.816 119.070 -0.069 0.000 2.791 45 H HA 0.355 4.769 4.556 -0.236 0.000 0.272 45 H C -1.178 174.076 175.328 -0.123 0.000 1.188 45 H CA -1.528 54.398 56.048 -0.204 0.000 1.436 45 H CB -0.215 29.296 29.762 -0.418 0.000 1.467 45 H HN 0.037 8.397 8.280 0.133 0.000 0.500 46 G N 3.990 112.787 108.800 -0.005 0.000 2.177 46 G HA2 -0.218 4.050 3.960 0.243 0.000 0.202 46 G HA3 -0.218 3.879 3.960 0.163 -0.040 0.202 46 G C -2.293 172.579 174.900 -0.047 0.000 1.581 46 G CA 0.384 45.544 45.100 0.100 0.000 0.983 46 G HN -0.203 8.047 8.290 -0.067 0.000 0.689 47 D N 4.045 124.283 120.400 -0.270 0.000 2.584 47 D HA 0.168 4.565 4.640 -0.405 0.000 0.254 47 D C -0.767 175.194 176.300 -0.565 0.000 1.085 47 D CA -0.014 53.606 54.000 -0.634 0.000 0.971 47 D CB 1.643 41.794 40.800 -1.083 0.000 1.103 47 D HN -0.321 7.943 8.370 -0.177 0.000 0.453 48 Y N -5.358 114.971 120.300 0.048 0.000 2.392 48 Y HA 0.166 4.858 4.550 0.137 -0.059 0.323 48 Y C 0.230 176.349 175.900 0.365 0.000 1.291 48 Y CA -1.043 57.199 58.100 0.237 0.000 1.345 48 Y CB 1.634 40.259 38.460 0.275 0.000 1.320 48 Y HN -0.492 7.010 8.280 -1.295 0.000 0.518 49 T N 1.589 116.398 114.554 0.424 0.000 2.991 49 T HA 0.272 4.805 4.350 0.304 0.000 0.347 49 T C -1.201 173.682 174.700 0.304 0.000 1.122 49 T CA -0.149 62.135 62.100 0.307 0.000 1.062 49 T CB 0.441 69.435 68.868 0.211 0.000 1.043 49 T HN 1.017 9.411 8.240 0.437 0.108 0.491 50 L N 8.755 130.175 121.223 0.328 0.000 2.400 50 L HA 0.086 4.629 4.340 0.337 0.000 0.262 50 L C -1.201 175.777 176.870 0.180 0.000 1.309 50 L CA -0.372 54.638 54.840 0.283 0.000 1.186 50 L CB -0.281 41.937 42.059 0.264 0.000 1.375 50 L HN 0.657 9.104 8.230 0.361 0.000 0.433 51 T N 8.719 123.374 114.554 0.169 0.000 2.769 51 T HA -0.118 4.470 4.350 0.092 -0.183 0.293 51 T C -1.275 173.470 174.700 0.075 0.000 0.931 51 T CA 2.428 64.592 62.100 0.105 0.000 1.139 51 T CB 0.054 68.977 68.868 0.092 0.000 0.881 51 T HN 0.518 8.785 8.240 0.201 0.094 0.532 52 L N 7.942 129.188 121.223 0.038 0.000 2.362 52 L HA 0.526 5.099 4.340 0.017 -0.222 0.275 52 L C -1.715 175.149 176.870 -0.009 0.000 0.998 52 L CA -2.173 52.670 54.840 0.007 0.000 0.820 52 L CB 4.061 46.102 42.059 -0.031 0.000 1.270 52 L HN 0.947 9.086 8.230 0.039 0.114 0.415 53 R N 6.400 126.883 120.500 -0.027 0.000 2.489 53 R HA 0.059 4.600 4.340 -0.028 -0.217 0.287 53 R C -0.530 175.755 176.300 -0.025 0.000 1.053 53 R CA 0.538 56.617 56.100 -0.036 0.000 1.036 53 R CB 0.304 30.562 30.300 -0.070 0.000 0.966 53 R HN 0.161 8.411 8.270 -0.034 0.000 0.432 54 K N 6.764 127.155 120.400 -0.016 0.000 2.613 54 K HA 0.229 4.542 4.320 -0.011 0.000 0.248 54 K C -0.124 176.472 176.600 -0.006 0.000 0.959 54 K CA -0.597 55.684 56.287 -0.010 0.000 0.855 54 K CB 1.660 34.157 32.500 -0.006 0.000 1.143 54 K HN 0.409 8.651 8.250 -0.015 0.000 0.437 55 G N 6.406 115.203 108.800 -0.004 0.000 2.341 55 G HA2 -0.357 3.604 3.960 0.001 0.000 0.292 55 G HA3 -0.357 3.603 3.960 0.000 0.000 0.292 55 G C 0.038 174.936 174.900 -0.003 0.000 1.021 55 G CA 1.163 46.262 45.100 -0.001 0.000 0.905 55 G HN 0.707 8.994 8.290 -0.004 0.000 0.508 56 G N -4.329 104.466 108.800 -0.008 0.000 2.176 56 G HA2 -0.476 3.474 3.960 -0.016 0.000 0.232 56 G HA3 -0.476 3.480 3.960 -0.007 0.000 0.232 56 G C -1.415 173.477 174.900 -0.014 0.000 0.986 56 G CA -0.145 44.949 45.100 -0.011 0.000 0.643 56 G HN 0.010 8.267 8.290 -0.011 0.027 0.522 57 N N 0.825 119.518 118.700 -0.012 0.000 2.229 57 N HA 0.278 5.013 4.740 -0.010 0.000 0.298 57 N C -1.944 173.561 175.510 -0.008 0.000 1.114 57 N CA -1.785 51.260 53.050 -0.008 0.000 0.776 57 N CB 3.295 41.781 38.487 -0.002 0.000 1.501 57 N HN -0.496 7.766 8.380 -0.011 0.112 0.474 58 N N 1.375 120.072 118.700 -0.005 0.000 2.466 58 N HA -0.135 4.603 4.740 -0.004 0.000 0.263 58 N C -0.920 174.598 175.510 0.014 0.000 1.178 58 N CA 0.546 53.597 53.050 0.001 0.000 0.983 58 N CB -0.850 37.638 38.487 0.002 0.000 1.331 58 N HN 0.328 8.706 8.380 -0.004 0.000 0.500 59 K N 4.689 125.099 120.400 0.017 0.000 2.264 59 K HA 0.121 4.459 4.320 0.030 0.000 0.277 59 K C -0.534 176.094 176.600 0.047 0.000 1.067 59 K CA -1.119 55.185 56.287 0.028 0.000 0.900 59 K CB 1.232 33.745 32.500 0.021 0.000 1.124 59 K HN -0.073 8.182 8.250 0.008 0.000 0.469 60 S N 9.164 124.901 115.700 0.062 0.000 2.560 60 S HA -0.147 4.387 4.470 0.106 0.000 0.323 60 S C -0.379 174.292 174.600 0.118 0.000 1.191 60 S CA 0.978 59.234 58.200 0.094 0.000 1.231 60 S CB -0.578 62.675 63.200 0.089 0.000 1.224 60 S HN 0.657 8.998 8.310 0.052 0.000 0.545 61 I N 8.307 128.957 120.570 0.133 0.000 2.417 61 I HA -0.000 4.288 4.170 0.196 0.000 0.283 61 I C -1.187 175.119 176.117 0.315 0.000 1.121 61 I CA -2.559 58.848 61.300 0.179 0.000 1.211 61 I CB -1.419 36.615 38.000 0.057 0.000 1.492 61 I HN -0.260 8.013 8.210 0.104 0.000 0.522 62 K N 5.178 125.771 120.400 0.322 0.000 2.414 62 K HA -0.107 4.518 4.320 0.356 -0.091 0.272 62 K C -0.968 175.942 176.600 0.517 0.000 0.993 62 K CA -0.372 56.136 56.287 0.368 0.000 0.964 62 K CB 0.312 32.976 32.500 0.273 0.000 0.925 62 K HN -0.492 7.851 8.250 0.249 0.055 0.487 63 I N 0.324 121.190 120.570 0.493 0.000 2.696 63 I HA -0.093 4.476 4.170 0.665 0.000 0.284 63 I C 0.453 176.778 176.117 0.345 0.000 1.129 63 I CA -0.036 61.545 61.300 0.469 0.000 1.410 63 I CB 0.015 38.105 38.000 0.148 0.000 1.399 63 I HN -0.251 8.232 8.210 0.455 0.000 0.579 64 F N 7.652 127.548 119.950 -0.090 0.000 2.661 64 F HA 0.070 4.673 4.527 -0.223 -0.209 0.356 64 F C -0.807 174.867 175.800 -0.209 0.000 1.244 64 F CA -2.004 55.787 58.000 -0.348 0.000 1.290 64 F CB -1.727 36.705 39.000 -0.947 0.000 1.677 64 F HN 0.332 8.887 8.300 0.424 0.000 0.649 65 H N 3.093 122.049 119.070 -0.190 0.000 2.423 65 H HA -0.139 4.403 4.556 -0.356 -0.200 0.297 65 H C 1.044 176.104 175.328 -0.447 0.000 1.075 65 H CA 3.357 59.208 56.048 -0.329 0.000 1.342 65 H CB 0.672 30.253 29.762 -0.302 0.000 1.395 65 H HN -0.462 7.752 8.280 0.051 0.097 0.530 66 R N -3.503 116.707 120.500 -0.482 0.000 3.596 66 R HA -0.510 3.326 4.340 -0.840 0.000 0.259 66 R C 0.501 176.544 176.300 -0.428 0.000 0.674 66 R CA 3.120 58.799 56.100 -0.702 0.000 1.213 66 R CB -1.601 28.129 30.300 -0.950 0.000 0.823 66 R HN 0.184 8.149 8.270 -0.404 0.062 0.604 67 D N -0.466 119.736 120.400 -0.329 0.000 2.327 67 D HA 0.045 4.558 4.640 -0.212 0.000 0.205 67 D C 0.750 176.950 176.300 -0.168 0.000 0.989 67 D CA 1.167 55.036 54.000 -0.218 0.000 0.873 67 D CB 1.060 41.754 40.800 -0.177 0.000 0.955 67 D HN -0.205 7.962 8.370 -0.337 0.000 0.515 68 G N -1.899 106.814 108.800 -0.145 0.000 3.658 68 G HA2 -0.198 3.662 3.960 -0.167 0.000 0.220 68 G HA3 -0.198 3.727 3.960 -0.059 0.000 0.220 68 G C -0.728 174.153 174.900 -0.032 0.000 0.917 68 G CA -0.074 44.974 45.100 -0.086 0.000 0.865 68 G HN -0.502 7.529 8.290 -0.158 0.163 0.652 69 K N 0.198 120.531 120.400 -0.112 0.000 2.842 69 K HA 0.201 4.463 4.320 -0.096 0.000 0.310 69 K C -1.780 174.506 176.600 -0.524 0.000 0.992 69 K CA -1.129 55.056 56.287 -0.170 0.000 1.207 69 K CB 1.842 34.313 32.500 -0.048 0.000 1.478 69 K HN -0.599 7.578 8.250 -0.123 0.000 0.601 70 Y N -4.622 115.710 120.300 0.054 0.000 2.441 70 Y HA 0.103 4.620 4.550 -0.055 0.000 0.334 70 Y C -0.981 174.979 175.900 0.099 0.000 1.061 70 Y CA -0.038 58.082 58.100 0.033 0.000 1.032 70 Y CB 3.806 42.298 38.460 0.053 0.000 1.266 70 Y HN -0.080 8.236 8.280 0.059 0.000 0.441 71 G N 2.866 111.786 108.800 0.200 0.000 3.021 71 G HA2 -0.025 3.975 3.960 0.028 0.000 0.243 71 G HA3 -0.025 4.103 3.960 0.100 -0.107 0.243 71 G C -2.019 172.984 174.900 0.171 0.000 3.652 71 G CA 0.592 45.768 45.100 0.126 0.000 0.499 71 G HN -0.143 8.277 8.290 0.217 0.000 0.342 72 F N 6.242 126.221 119.950 0.047 0.000 2.287 72 F HA 0.063 4.535 4.527 -0.091 0.000 0.276 72 F C 0.181 175.953 175.800 -0.045 0.000 1.047 72 F CA 2.046 60.023 58.000 -0.038 0.000 1.194 72 F CB 1.656 40.546 39.000 -0.183 0.000 1.118 72 F HN -0.374 8.119 8.300 0.321 0.000 0.556 73 S N -0.736 115.154 115.700 0.317 0.000 2.440 73 S HA -0.230 4.255 4.470 0.025 0.000 0.238 73 S C -0.176 174.343 174.600 -0.135 0.000 1.010 73 S CA 1.994 60.198 58.200 0.006 0.000 0.972 73 S CB 0.717 63.801 63.200 -0.193 0.000 0.774 73 S HN -0.245 8.456 8.310 0.651 0.000 0.501 74 D N 0.602 120.874 120.400 -0.213 0.000 2.268 74 D HA 0.296 4.821 4.640 -0.193 0.000 0.249 74 D C -1.672 174.603 176.300 -0.042 0.000 1.008 74 D CA -2.513 51.350 54.000 -0.229 0.000 0.939 74 D CB 2.059 42.514 40.800 -0.575 0.000 1.170 74 D HN -0.419 7.821 8.370 -0.108 0.064 0.468 75 P HA 0.157 4.616 4.420 0.066 0.000 0.235 75 P C -0.831 176.501 177.300 0.053 0.000 1.765 75 P CA -0.156 62.971 63.100 0.044 0.000 1.034 75 P CB -2.091 29.630 31.700 0.036 0.000 1.984 76 L N -1.446 119.816 121.223 0.064 0.000 3.833 76 L HA -0.438 3.926 4.340 0.040 0.000 0.447 76 L C -0.979 175.920 176.870 0.049 0.000 1.213 76 L CA 0.931 55.788 54.840 0.028 0.000 0.801 76 L CB -2.875 39.148 42.059 -0.061 0.000 1.676 76 L HN 0.383 8.580 8.230 0.085 0.085 0.883 77 T N -2.825 111.798 114.554 0.116 0.000 3.029 77 T HA 0.062 4.475 4.350 0.104 0.000 0.256 77 T C 0.562 175.414 174.700 0.253 0.000 0.914 77 T CA 0.515 62.704 62.100 0.148 0.000 0.880 77 T CB 1.291 70.234 68.868 0.125 0.000 1.246 77 T HN 0.279 9.041 8.240 0.125 -0.446 0.523 78 F N 2.153 122.147 119.950 0.074 0.000 2.120 78 F HA -0.272 4.284 4.527 0.047 0.000 0.300 78 F C 0.577 176.438 175.800 0.102 0.000 1.095 78 F CA 2.755 60.803 58.000 0.080 0.000 1.249 78 F CB 0.147 39.207 39.000 0.099 0.000 0.995 78 F HN -0.064 8.848 8.300 0.383 -0.382 0.480 79 N N -2.816 116.087 118.700 0.339 0.000 2.753 79 N HA -0.285 4.708 4.740 0.422 0.000 0.251 79 N C -1.532 174.133 175.510 0.258 0.000 1.097 79 N CA 1.560 54.795 53.050 0.308 0.000 0.786 79 N CB -0.458 38.132 38.487 0.172 0.000 1.137 79 N HN -0.247 8.353 8.380 0.366 0.000 0.566 80 S N -3.694 112.067 115.700 0.102 0.000 2.599 80 S HA 0.126 4.445 4.470 -0.251 0.000 0.269 80 S C 0.047 174.405 174.600 -0.404 0.000 1.135 80 S CA -1.027 57.060 58.200 -0.190 0.000 1.027 80 S CB 2.183 65.307 63.200 -0.127 0.000 1.129 80 S HN -0.577 7.811 8.310 0.203 0.044 0.458 81 V N 7.477 126.880 119.914 -0.852 0.000 2.278 81 V HA -0.445 3.330 4.120 -0.576 0.000 0.251 81 V C 1.179 177.076 176.094 -0.328 0.000 1.062 81 V CA 4.013 65.918 62.300 -0.658 0.000 1.038 81 V CB -0.182 31.158 31.823 -0.804 0.000 0.646 81 V HN 0.558 8.040 8.190 -1.179 0.000 0.447 82 V N -3.186 116.590 119.914 -0.230 0.000 2.277 82 V HA -0.424 3.707 4.120 0.017 0.000 0.253 82 V C 1.886 177.958 176.094 -0.037 0.000 1.067 82 V CA 4.133 66.392 62.300 -0.069 0.000 1.047 82 V CB -0.121 31.670 31.823 -0.053 0.000 0.649 82 V HN -0.235 7.763 8.190 -0.319 0.000 0.447 83 E N -0.963 119.190 120.200 -0.079 0.000 2.230 83 E HA -0.092 4.267 4.350 0.015 0.000 0.192 83 E C 2.198 178.914 176.600 0.193 0.000 0.987 83 E CA 1.688 58.055 56.400 -0.056 0.000 0.841 83 E CB -0.143 29.378 29.700 -0.299 0.000 0.783 83 E HN -0.473 7.810 8.360 -0.128 0.000 0.481 84 L N 0.227 121.579 121.223 0.216 0.000 2.930 84 L HA -0.054 4.676 4.340 0.651 0.000 0.250 84 L C -1.321 175.426 176.870 -0.205 0.000 1.320 84 L CA 0.763 55.723 54.840 0.200 0.000 1.163 84 L CB -0.588 41.521 42.059 0.083 0.000 1.542 84 L HN 0.099 8.252 8.230 0.005 0.080 0.428 85 I N -1.922 118.679 120.570 0.050 0.000 4.779 85 I HA -0.064 4.017 4.170 -0.148 0.000 0.302 85 I C 0.318 176.482 176.117 0.079 0.000 1.110 85 I CA 1.265 62.496 61.300 -0.114 0.000 1.434 85 I CB 1.203 38.922 38.000 -0.468 0.000 1.881 85 I HN -0.001 8.223 8.210 0.260 0.141 0.516 86 N N 1.855 120.636 118.700 0.134 0.000 2.005 86 N HA -0.393 4.418 4.740 0.119 0.000 0.199 86 N C 1.803 177.441 175.510 0.213 0.000 1.054 86 N CA 3.488 56.633 53.050 0.159 0.000 0.864 86 N CB -0.613 37.956 38.487 0.137 0.000 1.063 86 N HN -0.303 8.144 8.380 0.110 0.000 0.428 87 H N -0.315 118.877 119.070 0.203 0.000 2.431 87 H HA -0.328 4.282 4.556 0.089 0.000 0.297 87 H C 1.102 176.464 175.328 0.058 0.000 1.115 87 H CA 3.554 59.700 56.048 0.164 0.000 1.277 87 H CB 0.282 30.233 29.762 0.316 0.000 1.372 87 H HN -0.549 8.143 8.280 0.428 -0.155 0.516 88 Y N -5.452 114.911 120.300 0.104 0.000 2.396 88 Y HA 0.032 4.579 4.550 -0.006 0.000 0.292 88 Y C 1.988 177.845 175.900 -0.071 0.000 1.128 88 Y CA 2.254 60.357 58.100 0.005 0.000 1.194 88 Y CB 0.916 39.380 38.460 0.006 0.000 1.124 88 Y HN -1.008 7.411 8.280 0.523 0.175 0.543 89 R N -0.819 119.726 120.500 0.077 0.000 2.115 89 R HA -0.246 4.157 4.340 -0.020 -0.075 0.230 89 R C 0.993 177.285 176.300 -0.014 0.000 1.111 89 R CA 2.453 58.550 56.100 -0.004 0.000 0.976 89 R CB -0.157 30.118 30.300 -0.042 0.000 0.870 89 R HN -0.041 8.301 8.270 0.119 0.000 0.445 90 N N -1.629 117.067 118.700 -0.006 0.000 2.389 90 N HA 0.018 4.745 4.740 -0.023 0.000 0.237 90 N C -0.752 174.718 175.510 -0.067 0.000 1.148 90 N CA 0.992 54.027 53.050 -0.025 0.000 0.854 90 N CB -0.040 38.446 38.487 -0.002 0.000 1.115 90 N HN -0.521 7.813 8.380 0.014 0.055 0.492 91 E N -2.232 117.918 120.200 -0.083 0.000 3.541 91 E HA 0.182 4.469 4.350 -0.105 0.000 0.275 91 E C -1.798 174.748 176.600 -0.091 0.000 1.217 91 E CA 0.229 56.556 56.400 -0.121 0.000 1.883 91 E CB 2.261 31.820 29.700 -0.235 0.000 1.954 91 E HN -0.645 7.572 8.360 -0.060 0.107 0.889 92 S N -1.755 113.894 115.700 -0.086 0.000 2.606 92 S HA 0.039 4.554 4.470 -0.049 -0.074 0.290 92 S C -1.998 172.580 174.600 -0.037 0.000 1.103 92 S CA 0.010 58.173 58.200 -0.061 0.000 0.870 92 S CB 1.197 64.357 63.200 -0.067 0.000 1.077 92 S HN -0.222 8.028 8.310 -0.099 0.000 0.448 93 L N 3.187 124.390 121.223 -0.033 0.000 2.607 93 L HA 0.299 4.646 4.340 0.011 0.000 0.228 93 L C 0.485 177.355 176.870 -0.000 0.000 1.123 93 L CA -0.364 54.455 54.840 -0.035 0.000 0.890 93 L CB -0.112 41.876 42.059 -0.117 0.000 1.103 93 L HN 0.577 9.046 8.230 -0.037 -0.262 0.468 94 A N -0.507 122.315 122.820 0.002 0.000 2.172 94 A HA -0.197 4.279 4.320 0.037 -0.134 0.216 94 A C 0.723 178.327 177.584 0.034 0.000 1.154 94 A CA 2.335 54.384 52.037 0.021 0.000 0.701 94 A CB -0.454 18.548 19.000 0.002 0.000 0.789 94 A HN -0.327 8.098 8.150 -0.015 -0.283 0.465 95 Q N -3.836 115.978 119.800 0.023 0.000 2.123 95 Q HA -0.301 4.050 4.340 0.017 0.000 0.199 95 Q C 1.502 177.590 176.000 0.148 0.000 0.966 95 Q CA 2.250 58.069 55.803 0.026 0.000 0.845 95 Q CB -0.521 28.166 28.738 -0.086 0.000 0.907 95 Q HN -0.207 7.999 8.270 0.014 0.072 0.439 96 Y N 1.011 121.331 120.300 0.035 0.000 2.090 96 Y HA -0.320 4.309 4.550 0.131 0.000 0.274 96 Y C -0.539 175.353 175.900 -0.013 0.000 1.110 96 Y CA 2.668 60.722 58.100 -0.076 0.000 1.092 96 Y CB 0.642 38.917 38.460 -0.309 0.000 0.992 96 Y HN -0.218 8.205 8.280 0.240 0.000 0.479 97 N N -3.072 115.779 118.700 0.252 0.000 2.549 97 N HA 0.385 5.236 4.740 0.185 0.000 0.281 97 N C -2.201 173.369 175.510 0.099 0.000 1.084 97 N CA -1.686 51.479 53.050 0.191 0.000 0.862 97 N CB 1.443 40.071 38.487 0.234 0.000 1.333 97 N HN -0.121 8.378 8.380 0.198 0.000 0.523 98 P HA 0.245 4.682 4.420 0.029 0.000 0.231 98 P C -1.314 176.004 177.300 0.030 0.000 1.756 98 P CA 0.331 63.453 63.100 0.038 0.000 0.990 98 P CB -1.233 30.483 31.700 0.027 0.000 1.973 99 K N 0.069 120.488 120.400 0.032 0.000 2.644 99 K HA 0.272 4.603 4.320 0.018 0.000 0.198 99 K C -0.468 176.140 176.600 0.015 0.000 1.113 99 K CA -0.349 55.952 56.287 0.024 0.000 1.073 99 K CB 1.145 33.665 32.500 0.033 0.000 0.811 99 K HN 0.365 8.534 8.250 0.040 0.104 0.508 100 L N -6.413 114.813 121.223 0.006 0.000 3.188 100 L HA 0.208 4.546 4.340 -0.002 0.000 0.327 100 L C 0.078 176.940 176.870 -0.012 0.000 1.009 100 L CA 0.415 55.252 54.840 -0.005 0.000 1.373 100 L CB 0.204 42.255 42.059 -0.013 0.000 2.331 100 L HN -0.609 7.626 8.230 0.009 0.000 0.594 101 D N 2.769 123.161 120.400 -0.014 0.000 6.610 101 D HA -0.356 4.266 4.640 -0.028 0.000 0.176 101 D C -0.453 175.832 176.300 -0.024 0.000 1.245 101 D CA 1.367 55.354 54.000 -0.022 0.000 0.811 101 D CB -0.502 40.287 40.800 -0.018 0.000 1.423 101 D HN 0.158 8.523 8.370 -0.009 0.000 0.787 102 V N -5.126 114.768 119.914 -0.033 0.000 4.129 102 V HA 0.349 4.455 4.120 -0.023 0.000 0.269 102 V C -1.185 174.884 176.094 -0.043 0.000 1.086 102 V CA -1.337 60.943 62.300 -0.033 0.000 0.790 102 V CB 1.283 33.086 31.823 -0.032 0.000 1.195 102 V HN -0.528 7.637 8.190 -0.042 0.000 0.397 103 K N -5.581 114.791 120.400 -0.045 0.000 3.520 103 K HA 0.167 4.448 4.320 -0.066 0.000 0.163 103 K C -1.009 175.559 176.600 -0.054 0.000 1.113 103 K CA -0.073 56.184 56.287 -0.051 0.000 0.736 103 K CB -0.316 32.161 32.500 -0.039 0.000 0.884 103 K HN 0.037 8.265 8.250 -0.037 0.000 0.492 104 L N -4.634 116.551 121.223 -0.063 0.000 3.948 104 L HA -0.373 4.009 4.340 -0.008 -0.047 0.453 104 L C -0.797 176.046 176.870 -0.045 0.000 1.137 104 L CA 0.767 55.582 54.840 -0.041 0.000 0.881 104 L CB -2.649 39.357 42.059 -0.088 0.000 1.797 104 L HN 0.230 8.412 8.230 -0.079 0.000 0.957 105 L N -6.472 114.734 121.223 -0.029 0.000 2.629 105 L HA 0.065 4.356 4.340 -0.081 0.000 0.230 105 L C -0.787 176.098 176.870 0.024 0.000 1.151 105 L CA -0.309 54.511 54.840 -0.034 0.000 0.924 105 L CB -1.173 40.870 42.059 -0.027 0.000 1.137 105 L HN -0.168 7.983 8.230 -0.020 0.067 0.457 106 Y N 1.367 121.585 120.300 -0.136 0.000 2.640 106 Y HA 0.359 4.822 4.550 -0.145 0.000 0.295 106 Y C -3.027 172.766 175.900 -0.178 0.000 1.023 106 Y CA -3.646 54.374 58.100 -0.135 0.000 1.163 106 Y CB 0.749 39.165 38.460 -0.073 0.000 1.145 106 Y HN -0.105 8.020 8.280 0.021 0.167 0.609 107 P HA 0.069 4.322 4.420 -0.280 0.000 0.274 107 P C -1.931 175.292 177.300 -0.128 0.000 1.231 107 P CA -0.301 62.579 63.100 -0.366 0.000 0.790 107 P CB 1.697 32.883 31.700 -0.857 0.000 0.951 108 V N 0.533 120.423 119.914 -0.039 0.000 3.204 108 V HA 0.324 4.541 4.120 0.163 0.000 0.316 108 V C -1.371 174.808 176.094 0.141 0.000 1.160 108 V CA -2.113 60.236 62.300 0.081 0.000 1.044 108 V CB 2.714 34.521 31.823 -0.026 0.000 1.136 108 V HN -0.017 8.095 8.190 -0.130 0.000 0.455 109 S N -1.236 114.518 115.700 0.090 0.000 2.828 109 S HA 0.117 4.584 4.470 -0.004 0.000 0.149 109 S C 0.005 174.626 174.600 0.034 0.000 0.924 109 S CA 0.025 58.233 58.200 0.013 0.000 1.044 109 S CB 0.112 63.265 63.200 -0.079 0.000 1.595 109 S HN 0.191 8.553 8.310 0.088 0.000 0.454 110 K N 2.370 122.815 120.400 0.075 0.000 9.188 110 K HA -0.444 4.075 4.320 0.121 -0.127 0.503 110 K C -1.732 174.972 176.600 0.173 0.000 0.367 110 K CA 2.690 59.045 56.287 0.114 0.000 1.958 110 K CB -0.844 31.715 32.500 0.098 0.000 0.698 110 K HN 0.406 8.705 8.250 0.082 0.000 1.029 111 Y N 0.000 120.308 120.300 0.013 0.000 2.660 111 Y HA 0.000 4.565 4.550 0.025 0.000 0.201 111 Y CA 0.000 58.110 58.100 0.016 0.000 1.940 111 Y CB 0.000 38.464 38.460 0.007 0.000 1.050 111 Y HN 0.000 8.286 8.280 0.149 0.083 0.758