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 1q53_1_B DATA FIRST_RESID 1 DATA SEQUENCE GSHMEEAKGP VKHVLLASFK DGVSPEKIEE LIKGYANLVN LIEPMKAFHW DATA SEQUENCE GKDVSIENLH QGYTHIFEST FESKEAVAEY IAHPAHVEFA TIFLGSLDKV DATA SEQUENCE LVIDYKPTSV SL 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 3.776 3.960 -0.307 0.000 0.244 1 G C 0.000 174.751 174.900 -0.248 0.000 0.946 1 G CA 0.000 44.979 45.100 -0.202 0.000 0.502 2 S N 2.581 118.222 115.700 -0.098 0.000 2.436 2 S HA -0.095 4.340 4.470 -0.058 0.000 0.228 2 S C 0.710 175.342 174.600 0.053 0.000 1.014 2 S CA 0.624 58.803 58.200 -0.035 0.000 0.950 2 S CB 0.780 63.986 63.200 0.011 0.000 0.784 2 S HN 0.246 8.529 8.310 -0.045 0.000 0.504 3 H N -0.438 118.638 119.070 0.010 0.000 2.828 3 H HA -0.489 4.072 4.556 0.008 0.000 0.088 3 H C -0.170 175.166 175.328 0.013 0.000 0.590 3 H CA 1.278 57.332 56.048 0.010 0.000 1.697 3 H CB -0.424 29.342 29.762 0.008 0.000 1.949 3 H HN -0.388 7.934 8.280 0.097 0.016 0.926 4 M N -3.040 116.660 119.600 0.167 0.000 7.319 4 M HA -0.245 4.282 4.480 0.078 0.000 0.157 4 M C -1.496 174.842 176.300 0.063 0.000 0.480 4 M CA 0.491 55.846 55.300 0.090 0.000 1.311 4 M CB 0.768 33.413 32.600 0.075 0.000 0.421 4 M HN 0.039 8.423 8.290 0.189 0.019 0.191 5 E N 0.265 120.492 120.200 0.045 0.000 2.508 5 E HA -0.170 4.194 4.350 0.023 0.000 0.266 5 E C -0.796 175.818 176.600 0.022 0.000 1.010 5 E CA 0.826 57.243 56.400 0.029 0.000 0.955 5 E CB 0.520 30.237 29.700 0.028 0.000 0.946 5 E HN -0.057 8.330 8.360 0.046 0.000 0.454 6 E N 1.335 121.538 120.200 0.006 0.000 2.133 6 E HA 0.065 4.415 4.350 0.001 0.000 0.274 6 E C -0.743 175.860 176.600 0.005 0.000 0.930 6 E CA -0.880 55.519 56.400 -0.003 0.000 0.770 6 E CB 0.312 29.996 29.700 -0.026 0.000 1.104 6 E HN 0.043 8.405 8.360 0.003 0.000 0.403 7 A N 5.629 128.456 122.820 0.012 0.000 6.131 7 A HA -0.339 3.995 4.320 0.024 0.000 0.421 7 A C -1.565 176.032 177.584 0.022 0.000 1.585 7 A CA 1.177 53.224 52.037 0.017 0.000 0.641 7 A CB -0.101 18.903 19.000 0.007 0.000 2.282 7 A HN 0.739 9.263 8.150 0.014 -0.366 0.449 8 K N -0.234 120.181 120.400 0.025 0.000 3.183 8 K HA 0.015 4.346 4.320 0.018 0.000 0.233 8 K C 0.832 177.443 176.600 0.018 0.000 2.202 8 K CA 0.576 56.877 56.287 0.023 0.000 1.490 8 K CB 0.335 32.854 32.500 0.032 0.000 2.493 8 K HN 0.272 8.536 8.250 0.025 0.000 0.551 9 G N 2.177 110.991 108.800 0.023 0.000 2.583 9 G HA2 0.303 4.266 3.960 0.006 0.000 0.215 9 G HA3 0.303 4.367 3.960 0.014 -0.096 0.215 9 G C -1.360 173.541 174.900 0.002 0.000 1.481 9 G CA 0.105 45.212 45.100 0.011 0.000 0.948 9 G HN 0.252 8.564 8.290 0.036 0.000 0.511 10 P HA 0.020 4.463 4.420 0.038 0.000 0.277 10 P C -1.466 175.835 177.300 0.001 0.000 1.240 10 P CA -0.981 62.131 63.100 0.020 0.000 0.798 10 P CB 0.575 32.291 31.700 0.026 0.000 0.979 11 V N 1.504 121.441 119.914 0.037 0.000 2.481 11 V HA 0.039 4.136 4.120 -0.039 0.000 0.286 11 V C -0.950 175.170 176.094 0.044 0.000 1.042 11 V CA -0.644 61.666 62.300 0.017 0.000 0.928 11 V CB 1.777 33.623 31.823 0.039 0.000 0.986 11 V HN 0.126 8.365 8.190 0.082 0.000 0.462 12 K N 4.551 124.926 120.400 -0.041 0.000 2.206 12 K HA 0.312 4.690 4.320 0.097 0.000 0.264 12 K C -1.819 174.868 176.600 0.145 0.000 0.967 12 K CA -1.310 54.980 56.287 0.006 0.000 0.844 12 K CB 2.373 34.733 32.500 -0.233 0.000 1.099 12 K HN -0.007 8.162 8.250 -0.135 0.000 0.441 13 H N 5.086 124.245 119.070 0.148 0.000 2.539 13 H HA 0.192 4.847 4.556 0.164 0.000 0.332 13 H C -1.868 173.590 175.328 0.216 0.000 1.031 13 H CA -0.880 55.279 56.048 0.184 0.000 1.206 13 H CB 2.257 32.143 29.762 0.206 0.000 1.446 13 H HN 0.513 8.988 8.280 0.325 0.000 0.496 14 V N 7.377 127.285 119.914 -0.010 0.000 2.347 14 V HA 0.134 4.377 4.120 0.204 0.000 0.280 14 V C -2.498 173.635 176.094 0.064 0.000 1.021 14 V CA -1.089 61.269 62.300 0.097 0.000 0.847 14 V CB 0.804 32.682 31.823 0.092 0.000 0.990 14 V HN 0.796 8.748 8.190 -0.231 0.099 0.444 15 L N 7.886 129.256 121.223 0.244 0.000 2.408 15 L HA 0.997 5.649 4.340 0.194 -0.196 0.268 15 L C -2.347 174.627 176.870 0.173 0.000 0.986 15 L CA -2.247 52.760 54.840 0.278 0.000 0.820 15 L CB 4.206 46.572 42.059 0.512 0.000 1.303 15 L HN -0.279 8.122 8.230 0.284 0.000 0.411 16 L N 1.170 122.460 121.223 0.111 0.000 2.385 16 L HA 0.894 5.317 4.340 -0.101 -0.145 0.273 16 L C -2.347 174.507 176.870 -0.027 0.000 0.990 16 L CA -1.386 53.454 54.840 0.001 0.000 0.821 16 L CB 3.757 45.863 42.059 0.079 0.000 1.279 16 L HN -0.051 8.253 8.230 0.123 0.000 0.412 17 A N 1.970 124.693 122.820 -0.162 0.000 2.449 17 A HA 1.008 5.558 4.320 0.005 -0.227 0.302 17 A C -1.563 175.805 177.584 -0.360 0.000 1.048 17 A CA -1.286 50.686 52.037 -0.108 0.000 0.708 17 A CB 3.433 22.451 19.000 0.030 0.000 1.274 17 A HN -0.144 7.796 8.150 -0.350 0.000 0.410 18 S N 1.033 116.609 115.700 -0.206 0.000 2.605 18 S HA 0.406 4.678 4.470 -0.330 0.000 0.308 18 S C -1.333 173.230 174.600 -0.062 0.000 1.113 18 S CA -0.858 57.222 58.200 -0.199 0.000 1.049 18 S CB 2.400 65.538 63.200 -0.103 0.000 1.001 18 S HN 0.189 8.461 8.310 -0.063 0.000 0.480 19 F N 4.927 124.994 119.950 0.196 0.000 2.494 19 F HA -0.031 4.685 4.527 0.315 0.000 0.369 19 F C 0.966 176.841 175.800 0.126 0.000 1.098 19 F CA 0.483 58.623 58.000 0.234 0.000 1.154 19 F CB -0.140 39.009 39.000 0.248 0.000 1.103 19 F HN 0.451 8.835 8.300 0.139 0.000 0.549 20 K N 2.933 123.469 120.400 0.227 0.000 2.229 20 K HA -0.163 4.314 4.320 0.108 -0.092 0.250 20 K C -0.173 176.512 176.600 0.140 0.000 1.016 20 K CA 0.022 56.387 56.287 0.129 0.000 0.866 20 K CB 0.572 33.107 32.500 0.059 0.000 1.028 20 K HN 0.034 8.399 8.250 0.192 0.000 0.514 21 D N 1.031 121.487 120.400 0.093 0.000 2.352 21 D HA -0.091 4.606 4.640 0.096 0.000 0.245 21 D C 0.021 176.357 176.300 0.059 0.000 1.224 21 D CA 1.506 55.553 54.000 0.079 0.000 0.879 21 D CB -0.590 40.247 40.800 0.060 0.000 1.057 21 D HN 0.254 8.667 8.370 0.072 0.000 0.491 22 G N 3.183 112.019 108.800 0.059 0.000 3.609 22 G HA2 -0.174 3.804 3.960 0.031 0.000 0.219 22 G HA3 -0.174 3.807 3.960 0.036 0.000 0.219 22 G C -1.193 173.729 174.900 0.036 0.000 0.951 22 G CA 0.171 45.295 45.100 0.040 0.000 0.867 22 G HN 0.141 8.472 8.290 0.069 0.000 0.478 23 V N 2.190 122.137 119.914 0.055 0.000 2.555 23 V HA -0.003 4.131 4.120 0.023 0.000 0.286 23 V C -0.288 175.804 176.094 -0.003 0.000 1.044 23 V CA 0.255 62.576 62.300 0.035 0.000 1.026 23 V CB 0.714 32.586 31.823 0.080 0.000 0.981 23 V HN -0.531 7.711 8.190 0.086 0.000 0.480 24 S N 7.471 123.158 115.700 -0.023 0.000 2.576 24 S HA 0.124 4.583 4.470 -0.017 0.000 0.272 24 S C -0.459 174.101 174.600 -0.068 0.000 1.352 24 S CA -0.526 57.654 58.200 -0.033 0.000 1.021 24 S CB 0.417 63.599 63.200 -0.031 0.000 0.887 24 S HN 0.152 8.450 8.310 -0.020 0.000 0.542 25 P HA 0.051 4.412 4.420 -0.098 0.000 0.218 25 P C 1.177 178.427 177.300 -0.084 0.000 1.152 25 P CA 2.085 65.143 63.100 -0.070 0.000 0.826 25 P CB 0.412 32.093 31.700 -0.031 0.000 0.790 26 E N -1.148 119.016 120.200 -0.060 0.000 2.153 26 E HA -0.291 4.029 4.350 -0.050 0.000 0.194 26 E C 2.318 178.875 176.600 -0.071 0.000 0.988 26 E CA 3.606 59.974 56.400 -0.054 0.000 0.811 26 E CB -0.711 28.968 29.700 -0.034 0.000 0.746 26 E HN 0.373 8.706 8.360 -0.045 0.000 0.466 27 K N -1.987 118.359 120.400 -0.090 0.000 2.097 27 K HA -0.242 4.030 4.320 -0.081 0.000 0.206 27 K C 2.002 178.509 176.600 -0.156 0.000 1.049 27 K CA 3.054 59.276 56.287 -0.108 0.000 0.933 27 K CB -0.373 32.066 32.500 -0.102 0.000 0.717 27 K HN 0.136 8.226 8.250 -0.085 0.110 0.442 28 I N -1.733 118.700 120.570 -0.228 0.000 2.394 28 I HA -0.443 3.495 4.170 -0.386 0.000 0.251 28 I C 1.703 177.722 176.117 -0.164 0.000 1.136 28 I CA 3.642 64.754 61.300 -0.313 0.000 1.425 28 I CB -0.249 37.485 38.000 -0.444 0.000 1.079 28 I HN -0.579 7.388 8.210 -0.214 0.114 0.425 29 E N -0.060 120.071 120.200 -0.116 0.000 2.047 29 E HA -0.384 3.905 4.350 -0.101 0.000 0.191 29 E C 2.187 178.767 176.600 -0.035 0.000 0.987 29 E CA 3.829 60.182 56.400 -0.078 0.000 0.799 29 E CB -0.366 29.301 29.700 -0.056 0.000 0.752 29 E HN -0.612 7.540 8.360 -0.113 0.140 0.449 30 E N -0.676 119.516 120.200 -0.013 0.000 2.208 30 E HA -0.222 4.156 4.350 0.047 0.000 0.193 30 E C 2.622 179.314 176.600 0.154 0.000 0.988 30 E CA 2.598 59.029 56.400 0.050 0.000 0.828 30 E CB -0.465 29.260 29.700 0.041 0.000 0.763 30 E HN -0.369 7.970 8.360 -0.036 0.000 0.478 31 L N 0.247 121.526 121.223 0.094 0.000 2.027 31 L HA -0.298 4.278 4.340 0.394 0.000 0.206 31 L C 2.357 179.425 176.870 0.329 0.000 1.074 31 L CA 3.171 58.145 54.840 0.223 0.000 0.745 31 L CB 0.208 42.285 42.059 0.029 0.000 0.898 31 L HN -0.232 7.863 8.230 -0.010 0.129 0.433 32 I N -1.150 119.487 120.570 0.112 0.000 2.277 32 I HA -0.534 3.702 4.170 0.110 0.000 0.243 32 I C 1.946 178.094 176.117 0.052 0.000 1.094 32 I CA 4.015 65.325 61.300 0.016 0.000 1.393 32 I CB -0.121 37.723 38.000 -0.261 0.000 1.078 32 I HN -0.110 8.108 8.210 0.013 0.000 0.417 33 K N -1.041 119.372 120.400 0.022 0.000 2.057 33 K HA -0.265 4.055 4.320 0.000 0.000 0.207 33 K C 2.818 179.443 176.600 0.042 0.000 1.049 33 K CA 3.193 59.492 56.287 0.020 0.000 0.931 33 K CB -0.472 32.031 32.500 0.005 0.000 0.714 33 K HN 0.497 8.635 8.250 0.005 0.114 0.440 34 G N -2.112 106.733 108.800 0.076 0.000 2.432 34 G HA2 -0.230 3.700 3.960 -0.050 0.000 0.219 34 G HA3 -0.230 3.830 3.960 0.048 -0.071 0.219 34 G C 1.253 176.029 174.900 -0.207 0.000 1.135 34 G CA 1.934 47.013 45.100 -0.035 0.000 0.767 34 G HN 0.520 8.749 8.290 0.143 0.146 0.550 35 Y N 1.774 121.962 120.300 -0.188 0.000 2.274 35 Y HA -0.444 3.835 4.550 -0.451 0.000 0.290 35 Y C 1.451 177.266 175.900 -0.142 0.000 1.145 35 Y CA 2.770 60.725 58.100 -0.242 0.000 1.203 35 Y CB -0.328 38.101 38.460 -0.051 0.000 0.984 35 Y HN -0.484 7.795 8.280 0.188 0.114 0.533 36 A N -1.947 120.957 122.820 0.140 0.000 1.930 36 A HA -0.358 4.060 4.320 0.163 0.000 0.217 36 A C 1.558 179.148 177.584 0.009 0.000 1.175 36 A CA 3.542 55.636 52.037 0.095 0.000 0.627 36 A CB -0.839 18.198 19.000 0.061 0.000 0.815 36 A HN -0.330 7.765 8.150 0.119 0.127 0.443 37 N N -1.786 116.888 118.700 -0.043 0.000 2.354 37 N HA -0.174 4.538 4.740 -0.047 0.000 0.179 37 N C 2.029 177.463 175.510 -0.127 0.000 1.021 37 N CA 2.414 55.419 53.050 -0.075 0.000 0.887 37 N CB -0.154 38.285 38.487 -0.080 0.000 0.974 37 N HN -0.752 7.505 8.380 -0.048 0.094 0.437 38 L N -0.167 120.932 121.223 -0.206 0.000 2.027 38 L HA -0.291 3.893 4.340 -0.259 0.000 0.206 38 L C 1.738 178.487 176.870 -0.201 0.000 1.074 38 L CA 3.306 57.977 54.840 -0.281 0.000 0.745 38 L CB 0.142 41.892 42.059 -0.515 0.000 0.898 38 L HN 0.172 8.050 8.230 -0.221 0.220 0.433 39 V N -1.507 118.319 119.914 -0.146 0.000 2.626 39 V HA -0.351 3.653 4.120 -0.192 0.000 0.252 39 V C 0.451 176.487 176.094 -0.095 0.000 1.067 39 V CA 2.310 64.535 62.300 -0.124 0.000 1.081 39 V CB 0.162 31.968 31.823 -0.028 0.000 0.686 39 V HN -0.037 8.095 8.190 -0.096 0.000 0.468 40 N N -3.168 115.490 118.700 -0.070 0.000 2.443 40 N HA -0.187 4.527 4.740 -0.043 0.000 0.184 40 N C 0.950 176.423 175.510 -0.062 0.000 1.037 40 N CA 2.103 55.121 53.050 -0.053 0.000 0.896 40 N CB 0.133 38.595 38.487 -0.040 0.000 0.959 40 N HN -0.576 7.640 8.380 -0.067 0.124 0.442 41 L N -2.409 118.763 121.223 -0.084 0.000 2.453 41 L HA -0.003 4.307 4.340 -0.049 0.000 0.190 41 L C 0.190 177.004 176.870 -0.093 0.000 1.093 41 L CA 1.035 55.832 54.840 -0.071 0.000 0.834 41 L CB 2.031 44.052 42.059 -0.063 0.000 1.090 41 L HN -0.540 7.443 8.230 -0.108 0.183 0.489 42 I N -0.544 119.932 120.570 -0.157 0.000 3.138 42 I HA -0.404 3.603 4.170 -0.271 0.000 0.286 42 I C 0.365 176.376 176.117 -0.176 0.000 1.194 42 I CA 0.285 61.442 61.300 -0.237 0.000 1.392 42 I CB -2.424 35.379 38.000 -0.329 0.000 1.476 42 I HN 0.245 8.250 8.210 -0.171 0.102 0.579 43 E N 7.685 127.819 120.200 -0.110 0.000 2.049 43 E HA -0.178 4.128 4.350 -0.073 0.000 0.198 43 E C -1.508 175.031 176.600 -0.102 0.000 1.007 43 E CA 3.425 59.780 56.400 -0.074 0.000 0.809 43 E CB -0.703 28.985 29.700 -0.021 0.000 0.749 43 E HN -0.125 8.188 8.360 -0.078 0.000 0.450 44 P HA -0.045 4.331 4.420 -0.073 0.000 0.268 44 P C -1.604 175.519 177.300 -0.295 0.000 1.485 44 P CA 0.292 63.346 63.100 -0.077 0.000 1.102 44 P CB -0.781 30.970 31.700 0.085 0.000 1.501 45 M N 0.631 119.960 119.600 -0.451 0.000 1.522 45 M HA -0.032 3.655 4.480 -1.322 0.000 0.220 45 M C -0.281 175.699 176.300 -0.533 0.000 0.919 45 M CA 0.985 55.852 55.300 -0.722 0.000 0.880 45 M CB 2.389 34.691 32.600 -0.496 0.000 1.807 45 M HN -0.303 7.795 8.290 -0.320 0.000 0.688 46 K N -3.510 116.712 120.400 -0.297 0.000 9.641 46 K HA -0.362 3.880 4.320 -0.129 0.000 0.509 46 K C -0.854 175.667 176.600 -0.131 0.000 0.371 46 K CA 2.688 58.864 56.287 -0.184 0.000 1.955 46 K CB -0.987 31.406 32.500 -0.179 0.000 0.718 46 K HN -0.251 7.853 8.250 -0.243 0.000 1.078 47 A N -1.943 120.788 122.820 -0.148 0.000 2.589 47 A HA 0.285 4.596 4.320 -0.016 0.000 0.296 47 A C -2.910 174.662 177.584 -0.019 0.000 1.062 47 A CA -0.346 51.664 52.037 -0.045 0.000 0.686 47 A CB 2.816 21.818 19.000 0.003 0.000 1.282 47 A HN 0.096 8.045 8.150 -0.242 0.056 0.404 48 F N 2.931 122.801 119.950 -0.134 0.000 2.671 48 F HA 0.493 4.852 4.527 -0.280 0.000 0.332 48 F C -2.062 173.689 175.800 -0.083 0.000 1.189 48 F CA -0.387 57.499 58.000 -0.190 0.000 0.988 48 F CB 2.801 41.683 39.000 -0.198 0.000 1.258 48 F HN 0.108 8.482 8.300 0.124 0.000 0.471 49 H N 4.657 123.393 119.070 -0.557 0.000 2.616 49 H HA 0.496 4.771 4.556 -0.468 0.000 0.353 49 H C -1.829 173.217 175.328 -0.470 0.000 1.170 49 H CA -1.941 53.826 56.048 -0.469 0.000 1.212 49 H CB 2.024 31.675 29.762 -0.186 0.000 1.653 49 H HN -0.019 7.667 8.280 -0.991 0.000 0.537 50 W N -1.481 119.636 121.300 -0.304 0.000 2.655 50 W HA 0.309 5.022 4.660 0.088 0.000 0.358 50 W C -1.471 175.087 176.519 0.066 0.000 1.100 50 W CA -2.770 54.557 57.345 -0.031 0.000 1.195 50 W CB 2.450 31.948 29.460 0.063 0.000 1.403 50 W HN 0.154 8.526 8.180 0.321 0.000 0.589 51 G N -0.341 108.367 108.800 -0.154 0.000 2.668 51 G HA2 0.186 3.718 3.960 -0.714 0.000 0.284 51 G HA3 0.186 4.021 3.960 -0.209 0.000 0.284 51 G C -3.201 171.507 174.900 -0.321 0.000 1.456 51 G CA -0.014 44.843 45.100 -0.405 0.000 1.214 51 G HN 0.175 8.550 8.290 0.142 0.000 0.568 52 K N 2.514 122.614 120.400 -0.500 0.000 2.156 52 K HA 0.221 4.543 4.320 0.004 0.000 0.250 52 K C -1.756 174.745 176.600 -0.166 0.000 0.955 52 K CA -2.479 53.696 56.287 -0.187 0.000 0.855 52 K CB 2.749 35.197 32.500 -0.086 0.000 1.101 52 K HN -0.238 7.530 8.250 -0.803 0.000 0.434 53 D N 1.565 121.907 120.400 -0.097 0.000 2.503 53 D HA -0.299 4.262 4.640 -0.132 0.000 0.280 53 D C -0.669 175.586 176.300 -0.075 0.000 1.405 53 D CA 1.126 55.064 54.000 -0.104 0.000 1.049 53 D CB -0.509 40.230 40.800 -0.101 0.000 1.127 53 D HN 0.245 8.579 8.370 -0.060 0.000 0.551 54 V N 4.742 124.596 119.914 -0.100 0.000 2.364 54 V HA 0.121 4.204 4.120 -0.062 0.000 0.272 54 V C -0.431 175.630 176.094 -0.055 0.000 1.036 54 V CA 0.506 62.757 62.300 -0.083 0.000 0.880 54 V CB 0.961 32.712 31.823 -0.121 0.000 0.991 54 V HN -0.155 7.962 8.190 -0.122 0.000 0.460 55 S N 5.942 121.626 115.700 -0.027 0.000 7.331 55 S HA -0.090 4.366 4.470 -0.023 0.000 0.044 55 S C -0.225 174.377 174.600 0.003 0.000 1.512 55 S CA 0.853 59.043 58.200 -0.017 0.000 0.983 55 S CB 0.134 63.321 63.200 -0.023 0.000 0.974 55 S HN 0.625 8.926 8.310 -0.015 0.000 0.540 56 I N 1.984 122.566 120.570 0.020 0.000 4.187 56 I HA 0.007 4.192 4.170 0.025 0.000 0.326 56 I C -0.873 175.282 176.117 0.064 0.000 1.302 56 I CA 0.420 61.740 61.300 0.033 0.000 1.196 56 I CB 1.080 39.096 38.000 0.027 0.000 1.095 56 I HN 0.019 8.243 8.210 0.023 0.000 0.411 57 E N -0.383 119.869 120.200 0.086 0.000 2.210 57 E HA -0.351 4.202 4.350 0.142 -0.118 0.201 57 E C -1.006 175.720 176.600 0.210 0.000 1.339 57 E CA 1.313 57.796 56.400 0.139 0.000 0.699 57 E CB -2.170 27.592 29.700 0.104 0.000 1.126 57 E HN 0.385 8.784 8.360 0.064 0.000 0.355 58 N N -2.367 116.489 118.700 0.260 0.000 2.496 58 N HA -0.011 4.790 4.740 0.102 0.000 0.317 58 N C -1.367 174.060 175.510 -0.138 0.000 0.629 58 N CA 1.352 54.445 53.050 0.072 0.000 0.894 58 N CB 1.461 39.956 38.487 0.014 0.000 2.220 58 N HN -0.386 8.295 8.380 0.288 -0.128 1.447 59 L N 3.023 124.253 121.223 0.011 0.000 2.838 59 L HA -0.250 4.048 4.340 -0.070 0.000 0.287 59 L C -1.091 175.837 176.870 0.096 0.000 1.124 59 L CA 1.708 56.545 54.840 -0.006 0.000 1.091 59 L CB -1.070 40.999 42.059 0.017 0.000 1.448 59 L HN -0.087 8.172 8.230 0.048 0.000 0.455 60 H N 0.293 119.396 119.070 0.054 0.000 3.093 60 H HA 0.139 4.759 4.556 0.106 0.000 0.312 60 H C -1.450 173.952 175.328 0.123 0.000 1.213 60 H CA -0.976 55.138 56.048 0.110 0.000 1.366 60 H CB 0.279 30.121 29.762 0.133 0.000 1.998 60 H HN -0.426 7.698 8.280 -0.261 0.000 0.522 61 Q N 1.017 120.984 119.800 0.278 0.000 2.291 61 Q HA -0.095 4.284 4.340 0.064 0.000 0.205 61 Q C 0.511 176.612 176.000 0.168 0.000 0.970 61 Q CA 0.085 55.976 55.803 0.147 0.000 0.876 61 Q CB 0.346 29.148 28.738 0.107 0.000 0.935 61 Q HN 0.438 8.941 8.270 0.388 0.000 0.455 62 G N -4.412 104.609 108.800 0.369 0.000 2.556 62 G HA2 -0.110 4.148 3.960 0.497 0.000 0.231 62 G HA3 -0.110 3.928 3.960 0.131 0.000 0.231 62 G C -1.007 173.929 174.900 0.059 0.000 1.687 62 G CA -0.368 44.904 45.100 0.285 0.000 0.917 62 G HN -0.485 8.117 8.290 0.568 0.029 0.492 63 Y N -0.074 120.210 120.300 -0.027 0.000 2.301 63 Y HA -0.180 4.304 4.550 -0.111 0.000 0.295 63 Y C 1.338 177.056 175.900 -0.303 0.000 1.119 63 Y CA 3.620 61.624 58.100 -0.161 0.000 1.162 63 Y CB 1.576 39.941 38.460 -0.159 0.000 1.046 63 Y HN -0.621 7.871 8.280 0.353 0.000 0.538 64 T N -5.650 108.763 114.554 -0.236 0.000 13.029 64 T HA -0.475 3.786 4.350 -0.149 0.000 0.417 64 T C -0.916 173.688 174.700 -0.160 0.000 1.457 64 T CA 3.676 65.622 62.100 -0.256 0.000 2.388 64 T CB -0.495 68.143 68.868 -0.384 0.000 2.799 64 T HN 0.310 8.279 8.240 -0.452 0.000 0.661 65 H N -4.321 114.698 119.070 -0.084 0.000 2.882 65 H HA 0.172 4.643 4.556 -0.143 0.000 0.258 65 H C -3.037 172.104 175.328 -0.313 0.000 1.435 65 H CA -0.396 55.554 56.048 -0.163 0.000 1.190 65 H CB 1.209 30.938 29.762 -0.054 0.000 1.800 65 H HN -0.079 7.875 8.280 -0.409 0.081 0.452 66 I N -7.294 113.157 120.570 -0.199 0.000 2.828 66 I HA 0.815 4.917 4.170 -0.311 -0.119 0.302 66 I C -2.635 173.327 176.117 -0.259 0.000 1.101 66 I CA -2.003 59.153 61.300 -0.240 0.000 1.031 66 I CB 3.910 41.890 38.000 -0.033 0.000 1.231 66 I HN 0.908 8.935 8.210 -0.107 0.118 0.427 67 F N 0.833 120.935 119.950 0.253 0.000 2.493 67 F HA 0.463 5.068 4.527 0.130 0.000 0.329 67 F C -1.153 174.780 175.800 0.222 0.000 1.126 67 F CA -1.992 56.144 58.000 0.226 0.000 0.937 67 F CB 2.498 41.708 39.000 0.349 0.000 1.146 67 F HN 0.901 9.178 8.300 0.161 0.120 0.442 68 E N 4.056 124.391 120.200 0.224 0.000 2.183 68 E HA 0.642 5.380 4.350 0.316 -0.199 0.271 68 E C -1.950 174.645 176.600 -0.007 0.000 0.919 68 E CA -2.158 54.318 56.400 0.127 0.000 0.781 68 E CB 3.949 33.676 29.700 0.045 0.000 1.140 68 E HN -0.220 8.179 8.360 0.066 0.000 0.402 69 S N 4.833 120.643 115.700 0.184 0.000 2.498 69 S HA 0.234 4.733 4.470 0.048 0.000 0.317 69 S C -0.523 174.141 174.600 0.107 0.000 1.090 69 S CA -1.478 56.803 58.200 0.134 0.000 1.089 69 S CB 1.184 64.515 63.200 0.217 0.000 0.997 69 S HN 0.181 8.679 8.310 0.314 0.000 0.470 70 T N 9.333 123.838 114.554 -0.081 0.000 2.794 70 T HA 0.121 4.553 4.350 0.081 -0.034 0.296 70 T C -1.267 173.308 174.700 -0.208 0.000 0.949 70 T CA 1.737 63.812 62.100 -0.042 0.000 1.101 70 T CB 0.192 69.043 68.868 -0.028 0.000 0.905 70 T HN 0.134 8.286 8.240 -0.147 0.000 0.516 71 F N 5.336 125.279 119.950 -0.012 0.000 2.620 71 F HA 0.091 4.597 4.527 -0.035 0.000 0.320 71 F C -1.690 174.106 175.800 -0.006 0.000 1.069 71 F CA -0.649 57.340 58.000 -0.018 0.000 0.953 71 F CB 4.338 43.335 39.000 -0.005 0.000 1.322 71 F HN -0.353 8.093 8.300 0.242 0.000 0.479 72 E N -2.119 118.212 120.200 0.218 0.000 2.693 72 E HA 0.070 4.478 4.350 0.097 0.000 0.214 72 E C -1.598 175.072 176.600 0.117 0.000 0.990 72 E CA -0.876 55.595 56.400 0.119 0.000 1.047 72 E CB 0.333 30.070 29.700 0.062 0.000 1.039 72 E HN 0.185 8.714 8.360 0.283 0.000 0.475 73 S N -1.592 114.202 115.700 0.157 0.000 2.561 73 S HA 0.130 4.637 4.470 0.063 0.000 0.292 73 S C -0.340 174.280 174.600 0.035 0.000 1.107 73 S CA -0.547 57.706 58.200 0.089 0.000 0.969 73 S CB 2.081 65.333 63.200 0.087 0.000 1.150 73 S HN -0.840 7.562 8.310 0.245 0.055 0.451 74 K N 6.176 126.576 120.400 0.001 0.000 2.211 74 K HA -0.322 3.941 4.320 -0.094 0.000 0.204 74 K C 1.187 177.740 176.600 -0.078 0.000 1.047 74 K CA 2.677 58.934 56.287 -0.051 0.000 0.935 74 K CB -0.197 32.292 32.500 -0.018 0.000 0.728 74 K HN 0.634 8.894 8.250 0.017 0.000 0.452 75 E N -0.755 119.426 120.200 -0.031 0.000 2.072 75 E HA -0.241 4.090 4.350 -0.031 0.000 0.190 75 E C 2.456 179.039 176.600 -0.028 0.000 0.982 75 E CA 2.244 58.630 56.400 -0.022 0.000 0.803 75 E CB -0.179 29.525 29.700 0.007 0.000 0.755 75 E HN -0.512 7.824 8.360 -0.004 0.022 0.453 76 A N 0.825 123.649 122.820 0.006 0.000 1.940 76 A HA -0.223 4.156 4.320 0.098 0.000 0.219 76 A C 1.900 179.445 177.584 -0.065 0.000 1.176 76 A CA 3.019 55.103 52.037 0.079 0.000 0.631 76 A CB -0.767 18.380 19.000 0.244 0.000 0.814 76 A HN -0.355 7.727 8.150 0.032 0.088 0.446 77 V N -3.125 116.506 119.914 -0.471 0.000 2.594 77 V HA -0.478 2.704 4.120 -1.562 0.000 0.253 77 V C 1.524 177.439 176.094 -0.297 0.000 1.069 77 V CA 3.929 65.709 62.300 -0.866 0.000 1.082 77 V CB -0.860 30.431 31.823 -0.887 0.000 0.680 77 V HN -0.336 7.523 8.190 -0.383 0.101 0.469 78 A N -0.326 122.397 122.820 -0.162 0.000 1.897 78 A HA -0.234 4.016 4.320 -0.116 0.000 0.215 78 A C 1.873 179.431 177.584 -0.044 0.000 1.181 78 A CA 3.105 55.087 52.037 -0.092 0.000 0.620 78 A CB -0.665 18.303 19.000 -0.053 0.000 0.821 78 A HN 0.163 8.052 8.150 -0.143 0.175 0.443 79 E N -1.186 119.027 120.200 0.020 0.000 2.153 79 E HA -0.311 4.075 4.350 0.060 0.000 0.194 79 E C 1.477 178.175 176.600 0.163 0.000 0.988 79 E CA 2.464 58.919 56.400 0.092 0.000 0.811 79 E CB -0.017 29.759 29.700 0.126 0.000 0.746 79 E HN -0.633 7.655 8.360 0.019 0.083 0.466 80 Y N -2.047 118.257 120.300 0.007 0.000 2.163 80 Y HA -0.271 4.274 4.550 -0.008 0.000 0.288 80 Y C 1.359 177.155 175.900 -0.173 0.000 1.136 80 Y CA 1.555 59.638 58.100 -0.029 0.000 1.147 80 Y CB 0.536 39.045 38.460 0.082 0.000 0.987 80 Y HN -0.391 7.914 8.280 0.202 0.096 0.509 81 I N -3.277 116.946 120.570 -0.578 0.000 2.676 81 I HA -0.379 3.079 4.170 -1.188 0.000 0.259 81 I C 0.302 176.273 176.117 -0.243 0.000 1.194 81 I CA 2.048 62.951 61.300 -0.661 0.000 1.473 81 I CB -0.000 37.737 38.000 -0.438 0.000 1.096 81 I HN -0.645 7.371 8.210 -0.324 0.000 0.443 82 A N -3.223 119.536 122.820 -0.102 0.000 2.640 82 A HA 0.021 4.331 4.320 -0.017 0.000 0.282 82 A C -0.863 176.745 177.584 0.040 0.000 1.357 82 A CA -0.848 51.180 52.037 -0.016 0.000 0.946 82 A CB -0.504 18.489 19.000 -0.013 0.000 1.065 82 A HN -0.632 7.322 8.150 -0.081 0.148 0.541 83 H N 0.956 120.013 119.070 -0.022 0.000 2.458 83 H HA 0.359 4.936 4.556 0.035 0.000 0.330 83 H C -0.580 174.797 175.328 0.082 0.000 1.111 83 H CA -1.260 54.814 56.048 0.043 0.000 1.245 83 H CB 3.020 32.829 29.762 0.078 0.000 1.456 83 H HN -0.838 7.397 8.280 0.078 0.092 0.488 84 P HA -0.051 4.390 4.420 0.036 0.000 0.218 84 P C 0.621 177.980 177.300 0.099 0.000 1.152 84 P CA 2.046 65.151 63.100 0.008 0.000 0.826 84 P CB 0.387 32.044 31.700 -0.071 0.000 0.790 85 A N -1.262 121.678 122.820 0.200 0.000 1.908 85 A HA -0.340 4.039 4.320 0.098 0.000 0.218 85 A C 1.402 179.071 177.584 0.142 0.000 1.181 85 A CA 3.103 55.255 52.037 0.192 0.000 0.627 85 A CB -0.852 18.311 19.000 0.271 0.000 0.818 85 A HN -0.499 7.788 8.150 0.230 0.000 0.445 86 H N -1.248 117.892 119.070 0.117 0.000 2.363 86 H HA -0.151 4.348 4.556 -0.095 0.000 0.301 86 H C 1.931 177.292 175.328 0.055 0.000 1.074 86 H CA 3.285 59.344 56.048 0.018 0.000 1.354 86 H CB 0.419 30.208 29.762 0.045 0.000 1.397 86 H HN -0.476 8.094 8.280 0.483 0.000 0.516 87 V N 1.140 121.117 119.914 0.104 0.000 2.392 87 V HA -0.487 3.589 4.120 -0.073 0.000 0.249 87 V C 1.862 177.951 176.094 -0.009 0.000 1.059 87 V CA 4.582 66.895 62.300 0.021 0.000 1.051 87 V CB -0.282 31.598 31.823 0.095 0.000 0.658 87 V HN 0.152 8.325 8.190 0.269 0.179 0.455 88 E N 0.024 120.248 120.200 0.041 0.000 2.097 88 E HA -0.348 4.028 4.350 0.044 0.000 0.196 88 E C 2.355 179.019 176.600 0.106 0.000 1.000 88 E CA 3.479 59.920 56.400 0.068 0.000 0.804 88 E CB -0.252 29.501 29.700 0.089 0.000 0.740 88 E HN 0.235 8.432 8.360 0.064 0.202 0.454 89 F N -0.292 119.571 119.950 -0.146 0.000 2.118 89 F HA -0.336 4.139 4.527 -0.087 0.000 0.293 89 F C 1.443 177.182 175.800 -0.102 0.000 1.102 89 F CA 2.846 60.754 58.000 -0.154 0.000 1.247 89 F CB -0.055 38.774 39.000 -0.286 0.000 1.017 89 F HN -0.699 7.597 8.300 0.150 0.094 0.475 90 A N -1.193 121.594 122.820 -0.056 0.000 1.986 90 A HA -0.403 4.013 4.320 0.161 0.000 0.220 90 A C 2.156 179.780 177.584 0.066 0.000 1.171 90 A CA 3.457 55.494 52.037 -0.000 0.000 0.640 90 A CB -1.038 17.843 19.000 -0.199 0.000 0.811 90 A HN 0.533 8.545 8.150 -0.230 0.000 0.451 91 T N 0.123 114.683 114.554 0.009 0.000 2.821 91 T HA -0.337 4.013 4.350 -0.000 0.000 0.267 91 T C 1.836 176.531 174.700 -0.007 0.000 1.046 91 T CA 4.568 66.670 62.100 0.002 0.000 1.139 91 T CB -0.103 68.766 68.868 0.001 0.000 0.871 91 T HN 0.390 8.503 8.240 -0.011 0.121 0.454 92 I N 0.936 121.496 120.570 -0.018 0.000 2.286 92 I HA -0.342 3.804 4.170 -0.039 0.000 0.245 92 I C 1.845 177.972 176.117 0.015 0.000 1.104 92 I CA 2.406 63.678 61.300 -0.046 0.000 1.397 92 I CB -0.538 37.378 38.000 -0.140 0.000 1.072 92 I HN -0.500 7.584 8.210 -0.025 0.111 0.417 93 F N 2.218 122.108 119.950 -0.100 0.000 2.216 93 F HA -0.244 4.304 4.527 0.034 0.000 0.300 93 F C 1.412 177.225 175.800 0.021 0.000 1.085 93 F CA 2.228 60.228 58.000 -0.001 0.000 1.326 93 F CB -0.259 38.760 39.000 0.032 0.000 1.027 93 F HN 0.332 8.721 8.300 0.148 0.000 0.497 94 L N -1.147 119.950 121.223 -0.210 0.000 2.131 94 L HA -0.148 3.869 4.340 -0.538 0.000 0.210 94 L C 1.855 178.594 176.870 -0.218 0.000 1.092 94 L CA 2.815 57.473 54.840 -0.304 0.000 0.759 94 L CB -1.009 40.968 42.059 -0.135 0.000 0.903 94 L HN -0.170 7.942 8.230 -0.022 0.105 0.435 95 G N -3.169 105.559 108.800 -0.121 0.000 2.498 95 G HA2 -0.242 3.675 3.960 -0.071 0.000 0.219 95 G HA3 -0.242 3.688 3.960 -0.049 0.000 0.219 95 G C 0.034 174.890 174.900 -0.073 0.000 1.119 95 G CA 1.273 46.327 45.100 -0.076 0.000 0.766 95 G HN -0.444 7.671 8.290 -0.083 0.125 0.552 96 S N -1.386 114.251 115.700 -0.105 0.000 2.606 96 S HA 0.214 4.655 4.470 -0.048 0.000 0.156 96 S C -1.725 172.799 174.600 -0.127 0.000 1.308 96 S CA -0.036 58.136 58.200 -0.046 0.000 1.228 96 S CB -0.166 63.072 63.200 0.063 0.000 1.568 96 S HN -0.254 7.756 8.310 -0.176 0.195 0.397 97 L N -0.880 120.149 121.223 -0.323 0.000 2.346 97 L HA 0.440 4.504 4.340 -0.459 0.000 0.276 97 L C -1.628 175.118 176.870 -0.207 0.000 1.006 97 L CA -0.798 53.738 54.840 -0.506 0.000 0.817 97 L CB 2.347 43.803 42.059 -1.004 0.000 1.272 97 L HN -0.735 7.334 8.230 -0.269 0.000 0.421 98 D N 3.974 124.307 120.400 -0.111 0.000 2.259 98 D HA 0.136 4.747 4.640 -0.048 0.000 0.216 98 D C -0.947 175.310 176.300 -0.073 0.000 0.961 98 D CA 1.329 55.297 54.000 -0.054 0.000 0.878 98 D CB 1.527 42.327 40.800 -0.000 0.000 1.009 98 D HN 0.616 8.938 8.370 -0.080 0.000 0.490 99 K N -4.914 115.440 120.400 -0.078 0.000 2.610 99 K HA 0.258 4.535 4.320 -0.073 0.000 0.278 99 K C -2.645 173.935 176.600 -0.032 0.000 0.964 99 K CA -0.795 55.448 56.287 -0.073 0.000 0.859 99 K CB 3.287 35.730 32.500 -0.096 0.000 1.434 99 K HN -0.628 7.582 8.250 -0.066 0.000 0.410 100 V N 1.299 121.207 119.914 -0.011 0.000 2.752 100 V HA 0.876 5.298 4.120 0.067 -0.263 0.302 100 V C -2.292 173.827 176.094 0.041 0.000 1.133 100 V CA -1.599 60.738 62.300 0.062 0.000 0.919 100 V CB 2.754 34.671 31.823 0.157 0.000 1.026 100 V HN 0.169 8.341 8.190 -0.029 0.000 0.429 101 L N 9.168 130.420 121.223 0.048 0.000 2.404 101 L HA 0.442 4.805 4.340 0.038 0.000 0.272 101 L C -1.568 175.353 176.870 0.084 0.000 0.980 101 L CA -1.190 53.674 54.840 0.040 0.000 0.836 101 L CB 1.610 43.665 42.059 -0.007 0.000 1.238 101 L HN 0.403 8.669 8.230 0.058 0.000 0.408 102 V N 5.037 125.007 119.914 0.095 0.000 2.383 102 V HA 0.157 4.373 4.120 0.159 0.000 0.275 102 V C -0.635 175.457 176.094 -0.003 0.000 1.036 102 V CA -0.884 61.486 62.300 0.117 0.000 0.889 102 V CB 0.356 32.306 31.823 0.212 0.000 0.985 102 V HN 0.206 8.444 8.190 0.081 0.000 0.459 103 I N 7.863 128.339 120.570 -0.155 0.000 2.802 103 I HA 0.250 4.368 4.170 -0.086 0.000 0.298 103 I C -2.043 173.878 176.117 -0.327 0.000 1.176 103 I CA -1.651 59.557 61.300 -0.153 0.000 1.025 103 I CB 5.310 43.280 38.000 -0.050 0.000 1.243 103 I HN 0.758 8.817 8.210 -0.253 0.000 0.424 104 D N 2.657 122.970 120.400 -0.146 0.000 2.278 104 D HA 0.110 4.642 4.640 -0.181 0.000 0.245 104 D C -1.653 174.702 176.300 0.091 0.000 1.052 104 D CA -0.412 53.549 54.000 -0.066 0.000 0.834 104 D CB 2.148 42.958 40.800 0.017 0.000 1.194 104 D HN 0.091 8.426 8.370 -0.060 0.000 0.481 105 Y N 6.497 126.786 120.300 -0.018 0.000 2.350 105 Y HA 0.313 4.863 4.550 0.001 0.000 0.338 105 Y C -2.470 173.449 175.900 0.032 0.000 0.961 105 Y CA -1.956 56.149 58.100 0.007 0.000 1.100 105 Y CB 3.198 41.664 38.460 0.011 0.000 1.179 105 Y HN 1.052 9.311 8.280 0.162 0.118 0.454 106 K N 6.784 127.202 120.400 0.030 0.000 2.207 106 K HA 0.427 4.540 4.320 -0.344 0.000 0.255 106 K C -2.076 174.393 176.600 -0.218 0.000 0.941 106 K CA -4.125 52.042 56.287 -0.198 0.000 0.825 106 K CB 2.531 35.016 32.500 -0.025 0.000 1.119 106 K HN 0.177 8.641 8.250 0.356 0.000 0.430 107 P HA 0.012 4.442 4.420 0.016 0.000 0.268 107 P C -0.963 176.352 177.300 0.025 0.000 1.485 107 P CA -0.218 62.826 63.100 -0.094 0.000 1.102 107 P CB -0.620 31.007 31.700 -0.123 0.000 1.501 108 T N 7.217 121.835 114.554 0.106 0.000 3.209 108 T HA 0.207 4.586 4.350 0.048 0.000 0.366 108 T C -0.651 174.097 174.700 0.080 0.000 1.293 108 T CA 0.111 62.256 62.100 0.075 0.000 1.417 108 T CB 0.515 69.425 68.868 0.069 0.000 1.013 108 T HN -0.012 8.352 8.240 0.207 0.000 0.572 109 S N 4.305 120.044 115.700 0.065 0.000 2.617 109 S HA 0.099 4.604 4.470 0.058 0.000 0.269 109 S C -0.528 174.093 174.600 0.034 0.000 1.292 109 S CA -0.424 57.806 58.200 0.052 0.000 1.010 109 S CB 0.876 64.103 63.200 0.045 0.000 0.944 109 S HN -0.080 8.264 8.310 0.057 0.000 0.536 110 V N 1.625 121.554 119.914 0.026 0.000 2.509 110 V HA 0.096 4.227 4.120 0.019 0.000 0.284 110 V C -0.565 175.538 176.094 0.014 0.000 1.047 110 V CA -0.416 61.895 62.300 0.018 0.000 0.952 110 V CB 1.789 33.621 31.823 0.014 0.000 0.988 110 V HN -0.017 8.188 8.190 0.025 0.000 0.469 111 S N 6.362 122.069 115.700 0.012 0.000 2.531 111 S HA 0.079 4.555 4.470 0.010 0.000 0.279 111 S C -0.895 173.709 174.600 0.007 0.000 1.305 111 S CA 0.176 58.382 58.200 0.009 0.000 1.058 111 S CB 0.411 63.616 63.200 0.008 0.000 0.899 111 S HN 0.104 8.422 8.310 0.012 0.000 0.493 112 L N 0.000 121.226 121.223 0.006 0.000 2.949 112 L HA 0.000 4.342 4.340 0.004 0.000 0.249 112 L CA 0.000 54.842 54.840 0.004 0.000 0.813 112 L CB 0.000 42.061 42.059 0.003 0.000 0.961 112 L HN 0.000 8.234 8.230 0.006 0.000 0.502