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 2v1n_1_A DATA FIRST_RESID 1 DATA SEQUENCE GQRQLLLASE NPQQFMDYFS EEFRNDFLEL LRRRFGTKRV HNNIVYNEYI DATA SEQUENCE SHREHIHMNA TQWETLTDFT KWLGREGLCK VDETPKGWYI QYIDRDPETI DATA SEQUENCE RRQLELEKKK K 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 3.960 3.960 -0.001 0.000 0.244 1 G C 0.000 174.900 174.900 -0.001 0.000 0.946 1 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 2 Q N -0.222 119.578 119.800 -0.001 0.000 2.042 2 Q HA 0.104 4.443 4.340 -0.001 0.000 0.194 2 Q C 1.360 177.360 176.000 -0.000 0.000 0.978 2 Q CA 0.507 56.309 55.803 -0.001 0.000 0.828 2 Q CB 0.490 29.227 28.738 -0.001 0.000 0.901 2 Q HN -0.199 8.070 8.270 -0.001 0.000 0.461 3 R N 1.921 122.420 120.500 -0.000 0.000 4.902 3 R HA -0.068 4.272 4.340 -0.000 0.000 0.201 3 R C -0.097 176.203 176.300 0.000 0.000 2.020 3 R CA 0.038 56.138 56.100 -0.000 0.000 1.674 3 R CB -1.583 28.717 30.300 -0.000 0.000 1.349 3 R HN 0.327 8.597 8.270 -0.000 0.000 0.813 4 Q N -0.487 119.313 119.800 0.000 0.000 2.354 4 Q HA -0.126 4.214 4.340 0.000 0.000 0.203 4 Q C 0.845 176.845 176.000 0.001 0.000 0.933 4 Q CA 0.512 56.316 55.803 0.000 0.000 0.901 4 Q CB 0.627 29.365 28.738 0.000 0.000 1.007 4 Q HN 0.084 8.261 8.270 0.000 0.093 0.495 5 L N -3.084 118.140 121.223 0.001 0.000 3.153 5 L HA -0.521 3.820 4.340 0.001 0.000 0.369 5 L C 1.429 178.300 176.870 0.002 0.000 3.110 5 L CA 1.510 56.350 54.840 0.002 0.000 2.423 5 L CB -1.707 40.353 42.059 0.002 0.000 2.474 5 L HN 0.069 8.300 8.230 0.001 0.000 0.797 6 L N -3.567 117.657 121.223 0.003 0.000 3.412 6 L HA -0.558 3.785 4.340 0.004 0.000 0.253 6 L C 1.340 178.214 176.870 0.006 0.000 4.367 6 L CA 2.035 56.878 54.840 0.004 0.000 0.793 6 L CB -0.650 41.411 42.059 0.004 0.000 3.488 6 L HN 0.157 8.306 8.230 0.002 0.082 0.786 7 L N -4.005 117.222 121.223 0.007 0.000 4.894 7 L HA -0.450 3.894 4.340 0.007 0.000 0.391 7 L C 0.347 177.224 176.870 0.013 0.000 0.780 7 L CA 1.036 55.881 54.840 0.008 0.000 2.289 7 L CB -1.099 40.964 42.059 0.007 0.000 1.102 7 L HN 0.220 8.384 8.230 0.005 0.069 0.635 8 A N -4.437 118.393 122.820 0.016 0.000 3.168 8 A HA -0.434 3.899 4.320 0.023 0.000 0.249 8 A C 0.567 178.174 177.584 0.040 0.000 1.280 8 A CA 0.732 52.783 52.037 0.025 0.000 1.128 8 A CB -1.249 17.765 19.000 0.022 0.000 1.160 8 A HN -0.220 7.820 8.150 0.013 0.118 0.900 9 S N -0.509 115.212 115.700 0.035 0.000 3.324 9 S HA 0.039 4.542 4.470 0.055 0.000 0.229 9 S C -0.207 174.427 174.600 0.058 0.000 1.417 9 S CA 0.214 58.441 58.200 0.044 0.000 1.211 9 S CB -1.673 61.541 63.200 0.024 0.000 1.157 9 S HN 0.286 8.563 8.310 0.024 0.048 0.491 10 E N 1.782 122.030 120.200 0.080 0.000 2.450 10 E HA 0.161 4.545 4.350 0.058 0.000 0.248 10 E C -1.215 175.463 176.600 0.129 0.000 0.930 10 E CA -1.268 55.177 56.400 0.074 0.000 0.854 10 E CB 0.728 30.450 29.700 0.036 0.000 1.355 10 E HN -0.695 7.641 8.360 0.085 0.075 0.402 11 N N -1.397 117.341 118.700 0.063 0.000 2.663 11 N HA -0.114 4.605 4.740 -0.035 0.000 0.263 11 N C -1.356 174.168 175.510 0.024 0.000 1.109 11 N CA 0.097 53.149 53.050 0.002 0.000 0.701 11 N CB -1.262 37.187 38.487 -0.064 0.000 0.879 11 N HN 0.299 8.696 8.380 0.028 0.000 0.550 12 P HA -0.043 4.625 4.420 0.413 0.000 0.231 12 P C 0.339 177.618 177.300 -0.035 0.000 1.168 12 P CA 1.426 64.602 63.100 0.125 0.000 0.779 12 P CB 0.385 32.105 31.700 0.034 0.000 0.844 13 Q N -1.892 117.818 119.800 -0.150 0.000 2.482 13 Q HA -0.083 4.104 4.340 -0.255 0.000 0.209 13 Q C 0.599 176.438 176.000 -0.267 0.000 0.961 13 Q CA 1.672 57.345 55.803 -0.216 0.000 0.945 13 Q CB -1.230 27.401 28.738 -0.177 0.000 1.012 13 Q HN 0.582 8.774 8.270 -0.130 0.000 0.515 14 Q N -2.225 117.343 119.800 -0.387 0.000 2.246 14 Q HA 0.121 4.255 4.340 -0.343 0.000 0.222 14 Q C -0.304 175.353 176.000 -0.572 0.000 0.851 14 Q CA 0.110 55.607 55.803 -0.510 0.000 0.945 14 Q CB 1.387 29.748 28.738 -0.628 0.000 1.122 14 Q HN -0.496 7.437 8.270 -0.428 0.081 0.508 15 F N -0.028 119.862 119.950 -0.099 0.000 2.684 15 F HA 0.267 4.697 4.527 -0.161 0.000 0.298 15 F C 0.196 175.915 175.800 -0.134 0.000 1.120 15 F CA -1.305 56.614 58.000 -0.135 0.000 1.332 15 F CB 0.205 39.109 39.000 -0.160 0.000 0.986 15 F HN -0.792 7.387 8.300 -0.200 0.000 0.524 16 M N 2.013 121.562 119.600 -0.086 0.000 2.213 16 M HA -0.375 3.938 4.480 -0.280 0.000 0.263 16 M C 1.330 177.549 176.300 -0.134 0.000 1.062 16 M CA 3.162 58.329 55.300 -0.222 0.000 1.105 16 M CB -0.253 32.126 32.600 -0.368 0.000 1.385 16 M HN -0.126 7.990 8.290 -0.154 0.081 0.417 17 D N -1.477 118.891 120.400 -0.053 0.000 2.084 17 D HA -0.285 4.361 4.640 0.009 0.000 0.194 17 D C 1.620 177.956 176.300 0.061 0.000 0.990 17 D CA 3.305 57.311 54.000 0.009 0.000 0.826 17 D CB -0.280 40.530 40.800 0.017 0.000 0.971 17 D HN 0.309 8.645 8.370 -0.057 0.000 0.453 18 Y N -0.187 120.055 120.300 -0.097 0.000 2.153 18 Y HA -0.330 4.177 4.550 -0.070 0.000 0.289 18 Y C 1.585 177.464 175.900 -0.035 0.000 1.127 18 Y CA 2.641 60.655 58.100 -0.143 0.000 1.131 18 Y CB 0.651 38.901 38.460 -0.350 0.000 0.995 18 Y HN -0.620 7.730 8.280 0.116 0.000 0.505 19 F N -4.288 115.549 119.950 -0.188 0.000 2.206 19 F HA -0.322 3.970 4.527 -0.391 0.000 0.298 19 F C 2.281 177.991 175.800 -0.150 0.000 1.090 19 F CA 1.770 59.616 58.000 -0.257 0.000 1.323 19 F CB -0.673 38.213 39.000 -0.190 0.000 1.028 19 F HN 0.850 9.096 8.300 -0.090 0.000 0.492 20 S N -0.907 114.796 115.700 0.005 0.000 2.406 20 S HA -0.287 4.247 4.470 0.105 0.000 0.228 20 S C 1.927 176.587 174.600 0.099 0.000 1.020 20 S CA 3.081 61.285 58.200 0.006 0.000 0.965 20 S CB -0.750 62.330 63.200 -0.200 0.000 0.798 20 S HN -0.145 8.031 8.310 -0.041 0.110 0.488 21 E N 3.224 123.466 120.200 0.070 0.000 2.028 21 E HA -0.271 4.148 4.350 0.114 0.000 0.190 21 E C 2.139 178.780 176.600 0.068 0.000 0.984 21 E CA 3.261 59.711 56.400 0.083 0.000 0.800 21 E CB -0.114 29.634 29.700 0.081 0.000 0.758 21 E HN -0.661 7.719 8.360 0.034 0.000 0.448 22 E N -0.791 119.424 120.200 0.025 0.000 2.106 22 E HA -0.254 4.144 4.350 0.080 0.000 0.192 22 E C 2.505 179.214 176.600 0.183 0.000 0.984 22 E CA 2.700 59.138 56.400 0.063 0.000 0.806 22 E CB -0.265 29.400 29.700 -0.058 0.000 0.750 22 E HN -0.142 8.185 8.360 -0.055 0.000 0.458 23 F N 1.626 121.558 119.950 -0.031 0.000 2.098 23 F HA -0.156 4.216 4.527 -0.258 0.000 0.294 23 F C 1.367 177.038 175.800 -0.215 0.000 1.107 23 F CA 1.734 59.597 58.000 -0.227 0.000 1.234 23 F CB 0.276 39.059 39.000 -0.361 0.000 1.002 23 F HN 0.406 8.720 8.300 0.215 0.114 0.472 24 R N -1.208 119.153 120.500 -0.231 0.000 2.148 24 R HA -0.393 3.714 4.340 -0.389 0.000 0.223 24 R C 2.599 178.876 176.300 -0.038 0.000 1.088 24 R CA 3.485 59.482 56.100 -0.172 0.000 0.985 24 R CB -0.126 30.233 30.300 0.098 0.000 0.880 24 R HN 0.231 8.376 8.270 -0.005 0.122 0.451 25 N N -0.027 118.688 118.700 0.025 0.000 2.058 25 N HA -0.264 4.502 4.740 0.042 0.000 0.191 25 N C 2.165 177.705 175.510 0.049 0.000 1.037 25 N CA 3.632 56.711 53.050 0.047 0.000 0.848 25 N CB -0.337 38.191 38.487 0.068 0.000 1.021 25 N HN 0.238 8.536 8.380 0.045 0.109 0.422 26 D N 0.353 120.816 120.400 0.105 0.000 2.162 26 D HA -0.121 4.749 4.640 0.086 -0.178 0.203 26 D C 2.093 178.497 176.300 0.174 0.000 0.967 26 D CA 3.293 57.393 54.000 0.167 0.000 0.840 26 D CB 0.290 41.277 40.800 0.312 0.000 0.972 26 D HN -0.728 7.722 8.370 0.135 0.000 0.482 27 F N 2.391 122.219 119.950 -0.203 0.000 2.113 27 F HA -0.347 4.058 4.527 -0.205 0.000 0.297 27 F C 1.203 176.804 175.800 -0.332 0.000 1.103 27 F CA 3.806 61.541 58.000 -0.442 0.000 1.248 27 F CB 0.596 38.891 39.000 -1.175 0.000 0.999 27 F HN 0.420 8.570 8.300 -0.078 0.103 0.475 28 L N -1.403 119.789 121.223 -0.051 0.000 2.141 28 L HA -0.440 3.771 4.340 -0.216 0.000 0.209 28 L C 1.695 178.450 176.870 -0.192 0.000 1.094 28 L CA 2.825 57.590 54.840 -0.124 0.000 0.763 28 L CB -0.234 41.820 42.059 -0.008 0.000 0.908 28 L HN 0.112 8.202 8.230 -0.035 0.119 0.437 29 E N 0.023 120.163 120.200 -0.099 0.000 2.072 29 E HA -0.254 4.043 4.350 -0.089 0.000 0.191 29 E C 2.211 178.753 176.600 -0.097 0.000 0.985 29 E CA 2.693 59.045 56.400 -0.080 0.000 0.801 29 E CB -0.332 29.354 29.700 -0.024 0.000 0.750 29 E HN -0.511 7.820 8.360 -0.050 0.000 0.452 30 L N 0.312 121.483 121.223 -0.087 0.000 2.093 30 L HA -0.295 4.043 4.340 -0.004 0.000 0.208 30 L C 1.978 178.834 176.870 -0.024 0.000 1.085 30 L CA 3.325 58.142 54.840 -0.039 0.000 0.755 30 L CB 0.123 42.187 42.059 0.007 0.000 0.904 30 L HN 0.114 8.194 8.230 -0.066 0.110 0.435 31 L N -1.883 119.158 121.223 -0.303 0.000 2.093 31 L HA -0.420 3.609 4.340 -0.518 0.000 0.208 31 L C 1.726 178.356 176.870 -0.401 0.000 1.085 31 L CA 3.162 57.701 54.840 -0.502 0.000 0.755 31 L CB -0.405 41.167 42.059 -0.812 0.000 0.904 31 L HN 0.304 8.191 8.230 -0.396 0.106 0.435 32 R N -2.539 117.696 120.500 -0.441 0.000 2.062 32 R HA -0.274 3.800 4.340 -0.443 0.000 0.229 32 R C 2.680 178.927 176.300 -0.088 0.000 1.128 32 R CA 3.433 59.334 56.100 -0.332 0.000 0.960 32 R CB 0.199 30.339 30.300 -0.267 0.000 0.855 32 R HN -0.327 7.615 8.270 -0.398 0.089 0.432 33 R N -2.638 117.835 120.500 -0.045 0.000 2.062 33 R HA -0.168 4.241 4.340 -0.002 -0.071 0.229 33 R C 2.584 178.887 176.300 0.005 0.000 1.128 33 R CA 2.606 58.703 56.100 -0.006 0.000 0.960 33 R CB -0.309 29.989 30.300 -0.003 0.000 0.855 33 R HN 0.141 8.373 8.270 -0.064 0.000 0.432 34 R N -3.387 117.136 120.500 0.038 0.000 2.200 34 R HA -0.051 4.228 4.340 -0.101 0.000 0.208 34 R C 0.994 177.162 176.300 -0.221 0.000 1.033 34 R CA 2.175 58.231 56.100 -0.073 0.000 1.000 34 R CB 0.278 30.538 30.300 -0.067 0.000 0.906 34 R HN -0.055 8.158 8.270 0.087 0.109 0.462 35 F N -5.179 114.726 119.950 -0.076 0.000 2.581 35 F HA 0.105 4.619 4.527 -0.021 0.000 0.278 35 F C 0.197 175.985 175.800 -0.020 0.000 1.000 35 F CA 0.454 58.423 58.000 -0.052 0.000 1.230 35 F CB 1.536 40.488 39.000 -0.079 0.000 1.008 35 F HN -0.802 7.630 8.300 0.271 0.031 0.695 36 G N -1.154 107.730 108.800 0.140 0.000 2.588 36 G HA2 -0.361 3.673 3.960 0.123 0.000 0.273 36 G HA3 -0.361 3.780 3.960 0.126 -0.106 0.273 36 G C -1.303 173.748 174.900 0.253 0.000 1.211 36 G CA 0.601 45.787 45.100 0.144 0.000 0.958 36 G HN -0.467 7.760 8.290 0.077 0.108 0.543 37 T N 3.638 118.321 114.554 0.215 0.000 2.930 37 T HA 0.151 4.720 4.350 0.364 0.000 0.313 37 T C -1.703 173.088 174.700 0.151 0.000 1.019 37 T CA -1.095 61.142 62.100 0.229 0.000 1.004 37 T CB 0.369 69.305 68.868 0.113 0.000 0.987 37 T HN -0.057 8.274 8.240 0.152 0.000 0.456 38 K N 3.568 124.067 120.400 0.166 0.000 2.469 38 K HA 0.134 4.523 4.320 0.115 0.000 0.254 38 K C -0.912 175.768 176.600 0.132 0.000 0.939 38 K CA -1.594 54.781 56.287 0.145 0.000 0.812 38 K CB 3.177 35.794 32.500 0.195 0.000 1.301 38 K HN 0.156 8.524 8.250 0.197 0.000 0.433 39 R N 5.675 126.248 120.500 0.121 0.000 2.291 39 R HA 0.190 4.711 4.340 0.131 -0.103 0.333 39 R C -1.518 174.918 176.300 0.227 0.000 1.082 39 R CA -0.175 56.013 56.100 0.147 0.000 0.948 39 R CB -1.368 29.000 30.300 0.113 0.000 1.009 39 R HN 0.398 8.730 8.270 0.104 0.000 0.460 40 V N 4.587 124.636 119.914 0.224 0.000 3.049 40 V HA 0.253 4.580 4.120 0.345 0.000 0.309 40 V C -2.477 173.678 176.094 0.102 0.000 1.148 40 V CA -2.317 60.119 62.300 0.227 0.000 0.990 40 V CB 4.153 36.070 31.823 0.156 0.000 1.039 40 V HN 1.010 9.182 8.190 0.155 0.110 0.430 41 H N 5.781 124.832 119.070 -0.031 0.000 2.668 41 H HA 0.466 4.955 4.556 -0.435 -0.193 0.303 41 H C 1.174 176.488 175.328 -0.023 0.000 1.074 41 H CA 0.622 56.530 56.048 -0.233 0.000 1.406 41 H CB 1.396 30.974 29.762 -0.307 0.000 1.442 41 H HN 0.305 8.741 8.280 0.260 0.000 0.482 42 N N 8.863 127.432 118.700 -0.217 0.000 2.192 42 N HA -0.426 4.440 4.740 0.210 0.000 0.188 42 N C 1.676 177.431 175.510 0.408 0.000 1.013 42 N CA 3.219 56.361 53.050 0.152 0.000 0.863 42 N CB -0.141 38.436 38.487 0.150 0.000 0.990 42 N HN 0.332 8.426 8.380 -0.478 0.000 0.430 43 N N -0.351 118.614 118.700 0.442 0.000 2.309 43 N HA -0.222 4.856 4.740 0.564 0.000 0.182 43 N C 1.455 177.232 175.510 0.444 0.000 1.018 43 N CA 3.032 56.394 53.050 0.520 0.000 0.876 43 N CB 0.115 38.894 38.487 0.486 0.000 0.972 43 N HN -0.696 7.878 8.380 0.365 0.025 0.434 44 I N -0.001 120.804 120.570 0.391 0.000 2.353 44 I HA -0.345 3.994 4.170 0.283 0.000 0.248 44 I C 1.933 178.239 176.117 0.316 0.000 1.119 44 I CA 3.382 64.869 61.300 0.312 0.000 1.417 44 I CB 0.034 38.208 38.000 0.288 0.000 1.078 44 I HN -0.045 8.313 8.210 0.432 0.111 0.421 45 V N 0.470 120.509 119.914 0.208 0.000 2.379 45 V HA -0.394 3.744 4.120 0.032 0.000 0.245 45 V C 1.497 177.817 176.094 0.376 0.000 1.044 45 V CA 3.378 65.673 62.300 -0.008 0.000 1.036 45 V CB -0.487 30.932 31.823 -0.672 0.000 0.664 45 V HN -0.643 7.585 8.190 0.196 0.080 0.453 46 Y N 0.770 121.459 120.300 0.649 0.000 2.114 46 Y HA -0.450 4.726 4.550 1.043 0.000 0.284 46 Y C 2.181 178.410 175.900 0.548 0.000 1.143 46 Y CA 3.100 61.641 58.100 0.736 0.000 1.135 46 Y CB -0.402 38.352 38.460 0.491 0.000 0.980 46 Y HN 0.578 9.176 8.280 0.715 0.111 0.499 47 N N -3.874 115.159 118.700 0.556 0.000 2.309 47 N HA -0.269 4.648 4.740 0.295 0.000 0.182 47 N C 1.192 176.885 175.510 0.305 0.000 1.018 47 N CA 3.580 56.836 53.050 0.342 0.000 0.876 47 N CB -0.130 38.504 38.487 0.245 0.000 0.972 47 N HN -0.245 8.451 8.380 0.527 0.000 0.434 48 E N -0.123 120.294 120.200 0.361 0.000 2.051 48 E HA -0.251 4.252 4.350 0.255 0.000 0.189 48 E C 1.494 178.323 176.600 0.381 0.000 0.979 48 E CA 2.672 59.274 56.400 0.336 0.000 0.803 48 E CB 0.305 30.240 29.700 0.391 0.000 0.761 48 E HN -0.641 7.835 8.360 0.416 0.135 0.451 49 Y N 1.403 121.908 120.300 0.341 0.000 2.097 49 Y HA -0.369 4.299 4.550 0.196 0.000 0.282 49 Y C 2.294 178.420 175.900 0.376 0.000 1.152 49 Y CA 3.227 61.516 58.100 0.315 0.000 1.136 49 Y CB 0.297 38.971 38.460 0.357 0.000 0.975 49 Y HN 0.082 8.600 8.280 0.580 0.110 0.498 50 I N -6.696 113.817 120.570 -0.095 0.000 3.334 50 I HA -0.251 3.696 4.170 -0.371 0.000 0.282 50 I C 0.176 176.331 176.117 0.063 0.000 1.313 50 I CA 1.046 62.299 61.300 -0.078 0.000 1.396 50 I CB -0.761 37.377 38.000 0.230 0.000 1.054 50 I HN -0.195 8.207 8.210 0.319 0.000 0.495 51 S N -1.017 114.743 115.700 0.100 0.000 2.555 51 S HA -0.219 4.239 4.470 -0.020 0.000 0.230 51 S C 0.488 175.042 174.600 -0.076 0.000 0.978 51 S CA 1.782 59.984 58.200 0.003 0.000 0.934 51 S CB 0.328 63.513 63.200 -0.025 0.000 0.766 51 S HN -0.543 7.797 8.310 0.170 0.071 0.533 52 H N 3.373 122.412 119.070 -0.052 0.000 3.188 52 H HA 0.148 4.691 4.556 -0.022 0.000 0.204 52 H C 0.507 175.812 175.328 -0.038 0.000 1.565 52 H CA -0.683 55.339 56.048 -0.043 0.000 1.695 52 H CB 0.698 30.428 29.762 -0.052 0.000 1.392 52 H HN -0.755 7.589 8.280 0.242 0.081 0.965 53 R N 0.255 120.829 120.500 0.123 0.000 2.075 53 R HA -0.212 4.168 4.340 0.068 0.000 0.232 53 R C 1.573 177.911 176.300 0.062 0.000 1.126 53 R CA 2.328 58.473 56.100 0.076 0.000 0.963 53 R CB -0.734 29.612 30.300 0.077 0.000 0.858 53 R HN 0.440 8.807 8.270 0.161 0.000 0.435 54 E N -1.777 118.432 120.200 0.015 0.000 2.527 54 E HA -0.179 4.208 4.350 0.061 0.000 0.204 54 E C -0.753 175.823 176.600 -0.040 0.000 1.132 54 E CA -0.122 56.268 56.400 -0.017 0.000 0.905 54 E CB -2.113 27.512 29.700 -0.124 0.000 0.875 54 E HN 0.173 8.535 8.360 0.003 0.000 0.548 55 H N 1.465 120.495 119.070 -0.066 0.000 3.659 55 H HA -0.249 4.265 4.556 -0.070 0.000 0.209 55 H C -1.309 173.985 175.328 -0.056 0.000 0.999 55 H CA 0.919 56.932 56.048 -0.059 0.000 1.398 55 H CB -1.130 28.592 29.762 -0.066 0.000 1.608 55 H HN -0.631 7.604 8.280 0.096 0.102 0.589 56 I N 5.392 125.681 120.570 -0.468 0.000 2.530 56 I HA 0.065 3.870 4.170 -0.608 0.000 0.297 56 I C -2.381 173.448 176.117 -0.481 0.000 1.011 56 I CA -1.767 59.261 61.300 -0.454 0.000 1.107 56 I CB 2.887 40.776 38.000 -0.184 0.000 1.285 56 I HN -0.413 7.702 8.210 -0.158 0.000 0.436 57 H N 3.824 122.488 119.070 -0.677 0.000 2.533 57 H HA 0.218 4.190 4.556 -0.974 0.000 0.343 57 H C 1.213 176.036 175.328 -0.842 0.000 1.160 57 H CA -1.630 53.958 56.048 -0.768 0.000 1.218 57 H CB 3.338 32.813 29.762 -0.477 0.000 1.566 57 H HN -0.070 7.911 8.280 -0.498 0.000 0.522 58 M N 4.414 123.468 119.600 -0.910 0.000 2.260 58 M HA -0.301 3.941 4.480 -0.396 0.000 0.261 58 M C 0.003 176.107 176.300 -0.325 0.000 1.066 58 M CA 2.510 57.505 55.300 -0.507 0.000 1.082 58 M CB -0.121 32.349 32.600 -0.216 0.000 1.388 58 M HN 0.482 8.136 8.290 -1.060 0.000 0.419 59 N N -1.954 116.507 118.700 -0.398 0.000 2.512 59 N HA -0.243 4.359 4.740 -0.229 0.000 0.183 59 N C 0.453 175.817 175.510 -0.243 0.000 1.073 59 N CA 1.976 54.845 53.050 -0.302 0.000 0.911 59 N CB -0.485 37.766 38.487 -0.393 0.000 0.964 59 N HN 0.146 8.128 8.380 -0.550 0.068 0.447 60 A N -1.340 121.288 122.820 -0.320 0.000 2.238 60 A HA 0.066 4.269 4.320 -0.196 0.000 0.208 60 A C -0.452 177.016 177.584 -0.193 0.000 1.177 60 A CA 0.798 52.637 52.037 -0.330 0.000 0.804 60 A CB 0.498 19.037 19.000 -0.768 0.000 0.823 60 A HN -0.001 7.751 8.150 -0.396 0.161 0.482 61 T N -4.988 109.394 114.554 -0.287 0.000 2.910 61 T HA 0.007 4.062 4.350 -0.492 0.000 0.279 61 T C 0.240 174.677 174.700 -0.438 0.000 0.989 61 T CA -1.609 60.201 62.100 -0.483 0.000 0.968 61 T CB 2.727 71.174 68.868 -0.701 0.000 1.135 61 T HN -0.883 7.103 8.240 -0.283 0.084 0.562 62 Q N -1.534 117.846 119.800 -0.701 0.000 2.403 62 Q HA 0.108 4.270 4.340 -0.296 0.000 0.203 62 Q C 0.103 175.916 176.000 -0.311 0.000 0.932 62 Q CA 0.983 56.501 55.803 -0.476 0.000 0.945 62 Q CB 0.352 28.799 28.738 -0.484 0.000 1.045 62 Q HN 0.260 7.854 8.270 -1.126 0.000 0.511 63 W N 1.609 122.833 121.300 -0.127 0.000 2.357 63 W HA 0.181 4.799 4.660 -0.070 0.000 0.317 63 W C -0.402 176.060 176.519 -0.094 0.000 1.101 63 W CA -1.866 55.425 57.345 -0.089 0.000 1.380 63 W CB -0.910 28.527 29.460 -0.039 0.000 1.266 63 W HN -0.519 7.310 8.180 -0.460 0.074 0.419 64 E N 1.475 121.728 120.200 0.089 0.000 2.418 64 E HA -0.215 4.128 4.350 -0.013 0.000 0.197 64 E C -0.593 176.014 176.600 0.012 0.000 1.026 64 E CA 1.110 57.522 56.400 0.019 0.000 0.862 64 E CB 0.236 29.938 29.700 0.003 0.000 0.799 64 E HN 0.267 8.683 8.360 0.093 0.000 0.518 65 T N -4.810 109.763 114.554 0.032 0.000 2.864 65 T HA 0.108 4.449 4.350 -0.014 0.000 0.299 65 T C -0.487 174.199 174.700 -0.024 0.000 1.166 65 T CA -2.156 59.937 62.100 -0.012 0.000 1.007 65 T CB 2.982 71.829 68.868 -0.034 0.000 1.219 65 T HN -0.769 7.447 8.240 0.081 0.072 0.506 66 L N 0.465 121.636 121.223 -0.087 0.000 2.217 66 L HA -0.013 4.362 4.340 0.058 0.000 0.211 66 L C 0.965 177.551 176.870 -0.473 0.000 1.107 66 L CA 2.467 57.233 54.840 -0.124 0.000 0.783 66 L CB -0.411 41.611 42.059 -0.061 0.000 0.919 66 L HN 0.520 8.705 8.230 -0.075 0.000 0.442 67 T N 0.548 114.668 114.554 -0.723 0.000 2.720 67 T HA -0.304 2.722 4.350 -2.207 0.000 0.268 67 T C 2.655 176.963 174.700 -0.654 0.000 1.037 67 T CA 4.622 66.060 62.100 -1.103 0.000 1.144 67 T CB -0.731 67.781 68.868 -0.593 0.000 0.864 67 T HN -0.097 7.808 8.240 -0.508 0.030 0.444 68 D N 0.912 121.127 120.400 -0.308 0.000 2.224 68 D HA -0.142 4.415 4.640 -0.138 0.000 0.205 68 D C 1.466 177.579 176.300 -0.312 0.000 0.965 68 D CA 3.069 56.985 54.000 -0.140 0.000 0.852 68 D CB 0.006 40.853 40.800 0.079 0.000 0.947 68 D HN -0.591 7.647 8.370 -0.219 0.000 0.494 69 F N 0.467 119.971 119.950 -0.743 0.000 2.206 69 F HA -0.206 2.732 4.527 -2.649 0.000 0.298 69 F C 0.646 176.005 175.800 -0.734 0.000 1.090 69 F CA 1.936 59.105 58.000 -1.385 0.000 1.323 69 F CB -0.235 38.124 39.000 -1.068 0.000 1.028 69 F HN -0.565 7.445 8.300 -0.301 0.109 0.492 70 T N 0.015 114.078 114.554 -0.818 0.000 2.857 70 T HA -0.346 3.589 4.350 -0.692 0.000 0.266 70 T C 2.290 176.769 174.700 -0.368 0.000 1.048 70 T CA 3.973 65.683 62.100 -0.650 0.000 1.139 70 T CB -0.523 67.951 68.868 -0.657 0.000 0.874 70 T HN 0.016 7.812 8.240 -0.741 0.000 0.455 71 K N 1.323 121.537 120.400 -0.311 0.000 2.097 71 K HA -0.214 4.060 4.320 -0.077 0.000 0.206 71 K C 2.098 178.679 176.600 -0.032 0.000 1.049 71 K CA 2.215 58.433 56.287 -0.115 0.000 0.933 71 K CB -0.944 31.528 32.500 -0.047 0.000 0.717 71 K HN 0.150 7.970 8.250 -0.417 0.180 0.442 72 W N 0.062 121.231 121.300 -0.219 0.000 2.488 72 W HA -0.168 4.489 4.660 -0.005 0.000 0.304 72 W C 2.439 178.893 176.519 -0.108 0.000 1.175 72 W CA 3.455 60.750 57.345 -0.084 0.000 1.365 72 W CB 0.332 29.859 29.460 0.113 0.000 1.131 72 W HN -0.562 7.494 8.180 -0.060 0.088 0.520 73 L N 0.378 121.533 121.223 -0.113 0.000 2.093 73 L HA -0.007 4.245 4.340 -0.493 -0.209 0.208 73 L C 2.047 178.739 176.870 -0.296 0.000 1.085 73 L CA 2.788 57.456 54.840 -0.286 0.000 0.755 73 L CB 0.017 41.932 42.059 -0.241 0.000 0.904 73 L HN 0.227 8.417 8.230 -0.065 0.000 0.435 74 G N -3.686 104.962 108.800 -0.253 0.000 2.448 74 G HA2 -0.313 3.674 3.960 -0.140 0.000 0.219 74 G HA3 -0.313 3.672 3.960 -0.164 -0.123 0.219 74 G C 0.680 175.478 174.900 -0.170 0.000 1.127 74 G CA 1.508 46.502 45.100 -0.178 0.000 0.766 74 G HN -0.440 7.688 8.290 -0.270 0.000 0.552 75 R N -1.394 118.979 120.500 -0.212 0.000 2.240 75 R HA -0.045 4.214 4.340 -0.136 0.000 0.203 75 R C 1.282 177.443 176.300 -0.232 0.000 1.011 75 R CA 1.150 57.132 56.100 -0.196 0.000 1.007 75 R CB 0.147 30.331 30.300 -0.193 0.000 0.911 75 R HN -0.691 7.257 8.270 -0.255 0.169 0.468 76 E N -2.066 117.947 120.200 -0.312 0.000 2.385 76 E HA -0.022 4.171 4.350 -0.262 0.000 0.194 76 E C -0.164 176.322 176.600 -0.190 0.000 1.013 76 E CA -0.052 56.174 56.400 -0.291 0.000 0.866 76 E CB 0.544 29.995 29.700 -0.416 0.000 0.832 76 E HN -0.717 7.425 8.360 -0.363 0.000 0.500 77 G N -3.002 105.693 108.800 -0.175 0.000 2.140 77 G HA2 -0.254 3.631 3.960 -0.126 0.000 0.211 77 G HA3 -0.254 3.617 3.960 -0.148 0.000 0.211 77 G C -0.127 174.676 174.900 -0.163 0.000 1.013 77 G CA 0.202 45.213 45.100 -0.148 0.000 0.705 77 G HN 0.137 8.281 8.290 -0.189 0.032 0.508 78 L N -4.044 117.079 121.223 -0.166 0.000 2.467 78 L HA 0.280 4.517 4.340 -0.172 0.000 0.213 78 L C -0.471 176.262 176.870 -0.228 0.000 1.053 78 L CA 0.494 55.254 54.840 -0.133 0.000 0.847 78 L CB 1.521 43.599 42.059 0.032 0.000 1.075 78 L HN -0.809 7.316 8.230 -0.175 0.000 0.479 79 C N -3.841 115.357 119.300 -0.170 0.000 2.802 79 C HA 0.233 4.585 4.460 -0.181 0.000 0.307 79 C C -1.657 173.252 174.990 -0.135 0.000 1.222 79 C CA -1.271 57.662 59.018 -0.142 0.000 1.580 79 C CB 3.942 31.637 27.740 -0.076 0.000 2.119 79 C HN -0.685 7.446 8.230 -0.164 0.000 0.479 80 K N 2.042 122.381 120.400 -0.101 0.000 2.207 80 K HA 0.340 4.620 4.320 -0.066 0.000 0.255 80 K C -1.790 174.798 176.600 -0.020 0.000 0.941 80 K CA -1.127 55.121 56.287 -0.064 0.000 0.825 80 K CB 2.410 34.871 32.500 -0.065 0.000 1.119 80 K HN 1.049 9.120 8.250 -0.088 0.126 0.430 81 V N 4.191 124.111 119.914 0.010 0.000 2.925 81 V HA 0.615 4.920 4.120 0.066 -0.146 0.311 81 V C -1.324 174.766 176.094 -0.006 0.000 1.104 81 V CA -1.599 60.739 62.300 0.063 0.000 0.954 81 V CB 4.249 36.205 31.823 0.222 0.000 1.022 81 V HN 0.282 8.473 8.190 0.002 0.000 0.427 82 D N 5.262 125.612 120.400 -0.084 0.000 2.661 82 D HA 0.360 4.867 4.640 -0.223 0.000 0.228 82 D C -2.370 173.684 176.300 -0.409 0.000 1.210 82 D CA -0.605 53.278 54.000 -0.196 0.000 0.826 82 D CB 4.420 45.167 40.800 -0.089 0.000 1.542 82 D HN 0.756 9.107 8.370 -0.030 0.000 0.447 83 E N 1.451 121.351 120.200 -0.500 0.000 2.222 83 E HA 0.605 4.749 4.350 -0.572 -0.137 0.267 83 E C -0.845 175.611 176.600 -0.241 0.000 0.884 83 E CA -1.267 54.785 56.400 -0.580 0.000 0.764 83 E CB 3.054 32.205 29.700 -0.915 0.000 1.169 83 E HN 0.236 8.373 8.360 -0.371 0.000 0.413 84 T N 2.521 117.011 114.554 -0.106 0.000 2.883 84 T HA 0.585 4.886 4.350 -0.081 0.000 0.284 84 T C -0.561 174.136 174.700 -0.005 0.000 1.041 84 T CA -3.293 58.776 62.100 -0.053 0.000 1.007 84 T CB -0.264 68.558 68.868 -0.077 0.000 1.220 84 T HN 0.224 8.434 8.240 -0.050 0.000 0.552 85 P HA 0.027 4.463 4.420 0.027 0.000 0.239 85 P C -0.489 176.849 177.300 0.064 0.000 1.184 85 P CA 1.108 64.222 63.100 0.023 0.000 0.760 85 P CB -0.026 31.676 31.700 0.004 0.000 0.884 86 K N -3.290 117.179 120.400 0.114 0.000 2.478 86 K HA 0.330 4.722 4.320 0.120 0.000 0.205 86 K C -0.711 176.098 176.600 0.350 0.000 1.033 86 K CA -1.345 55.048 56.287 0.177 0.000 1.091 86 K CB 0.896 33.474 32.500 0.130 0.000 0.844 86 K HN -0.145 8.112 8.250 0.110 0.059 0.507 87 G N -1.526 107.494 108.800 0.366 0.000 2.298 87 G HA2 -0.171 4.102 3.960 0.522 0.000 0.309 87 G HA3 -0.171 4.020 3.960 0.385 0.000 0.309 87 G C -2.761 172.315 174.900 0.292 0.000 1.279 87 G CA -0.346 45.014 45.100 0.434 0.000 1.042 87 G HN -0.688 7.751 8.290 0.249 0.000 0.480 88 W N 0.629 121.950 121.300 0.034 0.000 2.329 88 W HA 0.484 5.139 4.660 -0.008 0.000 0.312 88 W C -1.257 174.852 176.519 -0.683 0.000 1.054 88 W CA -0.497 56.714 57.345 -0.223 0.000 1.245 88 W CB 1.755 31.081 29.460 -0.222 0.000 1.255 88 W HN -0.186 8.269 8.180 0.457 0.000 0.436 89 Y N 4.037 124.340 120.300 0.005 0.000 2.341 89 Y HA 0.333 5.051 4.550 0.027 -0.151 0.338 89 Y C -1.059 174.846 175.900 0.010 0.000 0.965 89 Y CA -1.112 56.998 58.100 0.017 0.000 1.108 89 Y CB 2.322 40.795 38.460 0.022 0.000 1.180 89 Y HN 0.440 8.742 8.280 0.036 0.000 0.458 90 I N -1.788 118.812 120.570 0.050 0.000 2.493 90 I HA 0.889 5.242 4.170 0.049 -0.154 0.298 90 I C -2.158 173.993 176.117 0.056 0.000 0.998 90 I CA -2.820 58.501 61.300 0.036 0.000 1.137 90 I CB 3.808 41.793 38.000 -0.025 0.000 1.310 90 I HN 1.058 9.269 8.210 0.000 0.000 0.445 91 Q N 7.262 127.087 119.800 0.042 0.000 2.341 91 Q HA 0.516 5.038 4.340 0.074 -0.138 0.268 91 Q C -1.556 174.449 176.000 0.009 0.000 1.013 91 Q CA -2.489 53.339 55.803 0.042 0.000 0.798 91 Q CB 3.391 32.144 28.738 0.026 0.000 1.253 91 Q HN 0.580 8.743 8.270 0.020 0.119 0.457 92 Y N 7.657 127.929 120.300 -0.046 0.000 2.336 92 Y HA -0.077 4.512 4.550 -0.071 -0.082 0.331 92 Y C -1.410 174.465 175.900 -0.041 0.000 1.211 92 Y CA -0.038 58.026 58.100 -0.060 0.000 1.346 92 Y CB 1.184 39.589 38.460 -0.092 0.000 1.271 92 Y HN -0.181 8.206 8.280 0.179 0.000 0.538 93 I N 4.741 124.686 120.570 -1.042 0.000 2.352 93 I HA -0.011 3.927 4.170 -0.387 0.000 0.290 93 I C 0.695 176.378 176.117 -0.723 0.000 1.036 93 I CA -0.079 60.828 61.300 -0.653 0.000 1.336 93 I CB 0.191 37.906 38.000 -0.475 0.000 1.407 93 I HN 0.594 7.916 8.210 -1.282 0.119 0.497 94 D N 7.801 128.020 120.400 -0.302 0.000 2.490 94 D HA -0.135 4.515 4.640 0.017 0.000 0.255 94 D C 0.263 176.550 176.300 -0.021 0.000 1.248 94 D CA -0.909 53.040 54.000 -0.085 0.000 0.887 94 D CB -1.310 39.495 40.800 0.008 0.000 0.978 94 D HN 0.389 8.632 8.370 -0.211 0.000 0.491 95 R N -2.224 118.240 120.500 -0.060 0.000 3.440 95 R HA -0.538 3.772 4.340 -0.049 0.000 0.591 95 R C 0.301 176.602 176.300 0.002 0.000 0.249 95 R CA 2.783 58.876 56.100 -0.011 0.000 1.105 95 R CB -1.703 28.642 30.300 0.075 0.000 0.666 95 R HN -0.072 7.965 8.270 -0.186 0.122 0.426 96 D N -0.284 120.133 120.400 0.028 0.000 2.373 96 D HA 0.371 5.017 4.640 0.010 0.000 0.227 96 D C -0.481 175.838 176.300 0.033 0.000 1.091 96 D CA -3.333 50.680 54.000 0.022 0.000 0.840 96 D CB 0.899 41.711 40.800 0.020 0.000 1.060 96 D HN -0.092 8.309 8.370 0.051 0.000 0.502 97 P HA -0.067 4.449 4.420 0.048 -0.068 0.220 97 P C 0.609 177.928 177.300 0.031 0.000 1.148 97 P CA 1.403 64.522 63.100 0.032 0.000 0.803 97 P CB 0.632 32.344 31.700 0.020 0.000 0.782 98 E N -4.393 115.821 120.200 0.023 0.000 2.265 98 E HA -0.270 4.092 4.350 0.019 0.000 0.196 98 E C 2.040 178.654 176.600 0.024 0.000 0.996 98 E CA 3.442 59.854 56.400 0.020 0.000 0.832 98 E CB -1.353 28.356 29.700 0.015 0.000 0.756 98 E HN 0.391 8.762 8.360 0.019 0.000 0.491 99 T N 1.144 115.716 114.554 0.030 0.000 2.851 99 T HA -0.221 4.144 4.350 0.026 0.000 0.262 99 T C 1.069 175.791 174.700 0.037 0.000 1.043 99 T CA 3.379 65.498 62.100 0.033 0.000 1.140 99 T CB -0.252 68.639 68.868 0.037 0.000 0.872 99 T HN -0.030 8.073 8.240 0.033 0.156 0.446 100 I N 1.407 122.008 120.570 0.053 0.000 2.202 100 I HA -0.370 3.837 4.170 0.061 0.000 0.242 100 I C 2.087 178.230 176.117 0.043 0.000 1.091 100 I CA 2.816 64.155 61.300 0.064 0.000 1.368 100 I CB -1.391 36.669 38.000 0.101 0.000 1.058 100 I HN -0.592 7.556 8.210 0.056 0.096 0.410 101 R N -2.528 117.993 120.500 0.035 0.000 2.148 101 R HA -0.204 4.151 4.340 0.025 0.000 0.223 101 R C 2.753 179.064 176.300 0.019 0.000 1.088 101 R CA 1.831 57.946 56.100 0.025 0.000 0.985 101 R CB -0.857 29.456 30.300 0.022 0.000 0.880 101 R HN 0.696 8.878 8.270 0.037 0.110 0.451 102 R N -0.850 119.661 120.500 0.019 0.000 2.153 102 R HA -0.040 4.307 4.340 0.013 0.000 0.218 102 R C 2.204 178.512 176.300 0.014 0.000 1.072 102 R CA 1.460 57.569 56.100 0.015 0.000 0.990 102 R CB -1.118 29.191 30.300 0.015 0.000 0.889 102 R HN -0.466 7.817 8.270 0.022 0.000 0.452 103 Q N 0.153 119.961 119.800 0.014 0.000 1.993 103 Q HA -0.309 4.035 4.340 0.007 0.000 0.202 103 Q C 2.053 178.057 176.000 0.007 0.000 0.984 103 Q CA 3.158 58.966 55.803 0.009 0.000 0.837 103 Q CB -0.159 28.582 28.738 0.004 0.000 0.902 103 Q HN -0.392 7.889 8.270 0.018 0.000 0.423 104 L N -4.016 117.212 121.223 0.008 0.000 1.978 104 L HA -0.281 4.250 4.340 -0.001 -0.192 0.218 104 L C 1.960 178.832 176.870 0.002 0.000 1.075 104 L CA 2.927 57.770 54.840 0.005 0.000 0.767 104 L CB 0.034 42.101 42.059 0.013 0.000 0.890 104 L HN -0.350 7.888 8.230 0.014 0.000 0.434 105 E N -3.416 116.787 120.200 0.006 0.000 2.045 105 E HA -0.137 4.214 4.350 0.002 0.000 0.190 105 E C 1.761 178.364 176.600 0.005 0.000 0.968 105 E CA 1.627 58.030 56.400 0.005 0.000 0.813 105 E CB 0.507 30.211 29.700 0.006 0.000 0.780 105 E HN -0.297 8.068 8.360 0.009 0.000 0.455 106 L N -1.566 119.662 121.223 0.008 0.000 2.102 106 L HA 0.000 4.345 4.340 0.008 0.000 0.202 106 L C 2.246 179.122 176.870 0.010 0.000 1.076 106 L CA 1.917 56.762 54.840 0.008 0.000 0.761 106 L CB 0.545 42.609 42.059 0.010 0.000 0.921 106 L HN -0.573 7.662 8.230 0.009 0.000 0.444 107 E N 0.476 120.682 120.200 0.011 0.000 2.333 107 E HA -0.365 3.993 4.350 0.014 0.000 0.198 107 E C 1.973 178.581 176.600 0.014 0.000 1.007 107 E CA 3.134 59.542 56.400 0.013 0.000 0.845 107 E CB -0.353 29.355 29.700 0.012 0.000 0.766 107 E HN -0.013 8.354 8.360 0.010 0.000 0.507 108 K N -2.232 118.175 120.400 0.011 0.000 2.288 108 K HA -0.154 4.175 4.320 0.015 0.000 0.201 108 K C 1.549 178.155 176.600 0.011 0.000 1.048 108 K CA 1.867 58.160 56.287 0.011 0.000 0.956 108 K CB -0.552 31.951 32.500 0.005 0.000 0.746 108 K HN 0.111 8.292 8.250 0.009 0.074 0.461 109 K N -2.515 117.891 120.400 0.010 0.000 2.365 109 K HA -0.089 4.236 4.320 0.008 0.000 0.197 109 K C 0.595 177.202 176.600 0.012 0.000 1.042 109 K CA 1.559 57.852 56.287 0.009 0.000 0.987 109 K CB 0.514 33.019 32.500 0.008 0.000 0.779 109 K HN -0.156 7.945 8.250 0.010 0.155 0.484 110 K N -4.106 116.303 120.400 0.015 0.000 2.412 110 K HA 0.083 4.413 4.320 0.016 0.000 0.201 110 K C 0.771 177.384 176.600 0.022 0.000 1.275 110 K CA 0.442 56.740 56.287 0.017 0.000 0.910 110 K CB 1.575 34.085 32.500 0.016 0.000 1.346 110 K HN -0.657 7.552 8.250 0.015 0.050 0.490 111 K N 0.000 120.415 120.400 0.025 0.000 2.780 111 K HA 0.000 4.343 4.320 0.038 0.000 0.191 111 K CA 0.000 56.308 56.287 0.035 0.000 0.838 111 K CB 0.000 32.523 32.500 0.038 0.000 1.064 111 K HN 0.000 8.155 8.250 0.022 0.109 0.543