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 2dit_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGGPS RMRHERVVII KNMFHPMDFE DDPLVLNEIR EDLRVECSKF DATA SEQUENCE GQIRKLLLFD RHPDGVASVS FRDPEEADYC IQTLDGRWFG GRQITAQAWD DATA SEQUENCE GTTDYQSGPS SG 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 0.001 0.000 0.244 1 G C 0.000 174.900 174.900 0.001 0.000 0.946 1 G CA 0.000 45.100 45.100 0.001 0.000 0.502 2 S N -1.041 114.659 115.700 0.001 0.000 2.597 2 S HA 0.041 4.512 4.470 0.001 0.000 0.274 2 S C -0.284 174.316 174.600 0.001 0.000 1.132 2 S CA -0.032 58.168 58.200 0.001 0.000 0.835 2 S CB 1.137 64.338 63.200 0.000 0.000 1.092 2 S HN -0.058 8.253 8.310 0.002 0.000 0.457 3 S N 1.949 117.649 115.700 0.001 0.000 2.580 3 S HA 0.050 4.521 4.470 0.002 0.000 0.261 3 S C 0.757 175.357 174.600 0.001 0.000 1.366 3 S CA 0.338 58.539 58.200 0.001 0.000 0.996 3 S CB 0.549 63.749 63.200 0.001 0.000 0.902 3 S HN 0.030 8.341 8.310 0.001 0.000 0.566 4 G N 1.402 110.203 108.800 0.001 0.000 2.295 4 G HA2 -0.112 3.848 3.960 0.001 0.000 0.155 4 G HA3 -0.112 3.848 3.960 0.001 0.000 0.155 4 G C -0.891 174.010 174.900 0.001 0.000 1.307 4 G CA -0.544 44.556 45.100 0.001 0.000 1.140 4 G HN 0.292 8.583 8.290 0.001 0.000 0.470 5 S N 3.690 119.390 115.700 0.001 0.000 3.919 5 S HA 0.037 4.507 4.470 0.001 0.000 0.245 5 S C -0.306 174.295 174.600 0.002 0.000 1.344 5 S CA 0.156 58.357 58.200 0.001 0.000 0.896 5 S CB -0.673 62.528 63.200 0.001 0.000 1.557 5 S HN 0.246 8.556 8.310 0.001 0.000 0.468 6 S N 5.511 121.212 115.700 0.003 0.000 3.065 6 S HA -0.088 4.385 4.470 0.004 0.000 0.311 6 S C 0.048 174.651 174.600 0.004 0.000 1.204 6 S CA 0.613 58.815 58.200 0.004 0.000 1.040 6 S CB -0.565 62.637 63.200 0.004 0.000 1.436 6 S HN -0.006 8.274 8.310 0.002 0.031 0.532 7 G N 3.768 112.571 108.800 0.005 0.000 2.306 7 G HA2 -0.106 3.858 3.960 0.006 0.000 0.262 7 G HA3 -0.106 3.857 3.960 0.005 0.000 0.262 7 G C -1.592 173.310 174.900 0.003 0.000 1.263 7 G CA -0.471 44.632 45.100 0.005 0.000 1.088 7 G HN -0.318 7.953 8.290 0.004 0.021 0.489 8 G N -0.445 108.357 108.800 0.003 0.000 2.979 8 G HA2 -0.211 3.750 3.960 0.002 0.000 0.238 8 G HA3 -0.211 3.749 3.960 0.001 0.000 0.238 8 G C -2.352 172.548 174.900 0.001 0.000 1.805 8 G CA -0.347 44.754 45.100 0.002 0.000 1.389 8 G HN 0.254 8.547 8.290 0.004 0.000 0.517 9 P HA 0.273 4.691 4.420 -0.003 0.000 0.271 9 P C -1.590 175.710 177.300 -0.001 0.000 1.218 9 P CA -0.087 63.011 63.100 -0.003 0.000 0.780 9 P CB 0.572 32.268 31.700 -0.007 0.000 0.901 10 S N 0.355 116.054 115.700 -0.001 0.000 2.474 10 S HA 0.192 4.665 4.470 0.005 0.000 0.224 10 S C -1.259 173.340 174.600 -0.002 0.000 1.209 10 S CA -0.124 58.077 58.200 0.002 0.000 1.212 10 S CB 0.444 63.648 63.200 0.007 0.000 1.137 10 S HN 0.040 8.347 8.310 -0.003 0.000 0.446 11 R N 0.736 121.227 120.500 -0.014 0.000 2.867 11 R HA 0.417 4.745 4.340 -0.020 0.000 0.268 11 R C -1.294 174.967 176.300 -0.065 0.000 1.014 11 R CA -1.094 54.988 56.100 -0.031 0.000 0.946 11 R CB 1.172 31.451 30.300 -0.035 0.000 1.208 11 R HN -0.411 7.850 8.270 -0.015 0.000 0.477 12 M N -0.055 119.475 119.600 -0.116 0.000 2.300 12 M HA 0.337 4.672 4.480 -0.240 0.000 0.348 12 M C -0.705 175.345 176.300 -0.417 0.000 1.151 12 M CA 0.356 55.478 55.300 -0.296 0.000 1.046 12 M CB 1.374 33.797 32.600 -0.294 0.000 1.647 12 M HN 0.063 8.301 8.290 -0.087 0.000 0.451 13 R N 4.997 125.169 120.500 -0.546 0.000 2.564 13 R HA 0.329 4.517 4.340 -0.254 0.000 0.282 13 R C -1.665 174.467 176.300 -0.280 0.000 1.573 13 R CA -0.061 55.845 56.100 -0.324 0.000 1.588 13 R CB -0.297 29.920 30.300 -0.138 0.000 1.154 13 R HN 0.416 8.337 8.270 -0.581 0.000 0.606 14 H N -1.137 117.930 119.070 -0.004 0.000 2.969 14 H HA 0.178 4.720 4.556 -0.023 0.000 0.304 14 H C -1.057 174.270 175.328 -0.002 0.000 1.400 14 H CA -1.191 54.852 56.048 -0.010 0.000 1.182 14 H CB 0.587 30.345 29.762 -0.006 0.000 1.865 14 H HN -0.475 7.559 8.280 -0.410 0.000 0.512 15 E N 1.769 122.077 120.200 0.181 0.000 2.415 15 E HA 0.039 4.445 4.350 0.093 0.000 0.263 15 E C 0.331 177.037 176.600 0.177 0.000 0.995 15 E CA 1.040 57.512 56.400 0.120 0.000 0.915 15 E CB 0.024 29.750 29.700 0.044 0.000 0.951 15 E HN 0.432 8.876 8.360 0.141 0.000 0.449 16 R N 0.562 121.185 120.500 0.204 0.000 2.698 16 R HA 0.167 4.614 4.340 0.178 0.000 0.422 16 R C -2.196 174.276 176.300 0.286 0.000 1.073 16 R CA -0.832 55.407 56.100 0.231 0.000 1.054 16 R CB -0.467 29.988 30.300 0.258 0.000 1.373 16 R HN 0.173 8.558 8.270 0.192 0.000 0.593 17 V N -0.284 119.800 119.914 0.283 0.000 2.925 17 V HA 0.673 5.164 4.120 0.353 -0.159 0.311 17 V C -1.677 174.595 176.094 0.297 0.000 1.104 17 V CA -1.688 60.812 62.300 0.333 0.000 0.954 17 V CB 3.920 35.989 31.823 0.411 0.000 1.022 17 V HN -0.317 8.015 8.190 0.237 0.000 0.427 18 V N -0.228 119.842 119.914 0.259 0.000 2.876 18 V HA 1.040 5.431 4.120 0.166 -0.171 0.312 18 V C -1.714 174.424 176.094 0.073 0.000 1.085 18 V CA -3.150 59.251 62.300 0.167 0.000 0.945 18 V CB 4.024 35.936 31.823 0.147 0.000 1.017 18 V HN 0.211 8.557 8.190 0.260 0.000 0.428 19 I N 1.555 122.144 120.570 0.032 0.000 2.648 19 I HA 1.059 5.384 4.170 -0.149 -0.244 0.304 19 I C -0.751 175.295 176.117 -0.118 0.000 1.009 19 I CA -3.557 57.698 61.300 -0.074 0.000 1.114 19 I CB 2.937 40.919 38.000 -0.031 0.000 1.293 19 I HN 0.622 8.764 8.210 0.064 0.106 0.449 20 I N 1.340 121.785 120.570 -0.208 0.000 2.647 20 I HA 0.840 5.151 4.170 -0.196 -0.259 0.295 20 I C -1.000 174.940 176.117 -0.294 0.000 1.078 20 I CA -2.703 58.454 61.300 -0.239 0.000 1.048 20 I CB 3.227 41.055 38.000 -0.287 0.000 1.239 20 I HN -0.070 7.981 8.210 -0.265 0.000 0.421 21 K N 2.120 122.359 120.400 -0.269 0.000 2.340 21 K HA 0.876 5.248 4.320 -0.354 -0.264 0.244 21 K C 0.019 176.457 176.600 -0.269 0.000 0.973 21 K CA -2.909 53.210 56.287 -0.280 0.000 0.828 21 K CB 3.046 35.428 32.500 -0.197 0.000 1.226 21 K HN -0.337 7.772 8.250 -0.235 0.000 0.437 22 N N -0.396 118.148 118.700 -0.260 0.000 2.705 22 N HA -0.370 4.268 4.740 -0.169 0.000 0.255 22 N C -0.784 174.616 175.510 -0.183 0.000 1.008 22 N CA 1.510 54.443 53.050 -0.195 0.000 0.742 22 N CB -0.758 37.636 38.487 -0.155 0.000 0.906 22 N HN 0.192 8.407 8.380 -0.275 0.000 0.541 23 M N -7.791 111.666 119.600 -0.237 0.000 2.379 23 M HA 0.236 4.716 4.480 0.000 0.000 0.268 23 M C -1.971 174.443 176.300 0.190 0.000 1.185 23 M CA 1.414 56.664 55.300 -0.082 0.000 1.121 23 M CB 2.326 34.761 32.600 -0.276 0.000 1.608 23 M HN -0.519 7.532 8.290 -0.399 0.000 0.569 24 F N -8.322 111.688 119.950 0.100 0.000 2.831 24 F HA 0.332 4.957 4.527 0.163 0.000 0.318 24 F C -2.892 172.978 175.800 0.116 0.000 1.174 24 F CA -1.305 56.796 58.000 0.169 0.000 0.918 24 F CB 1.540 40.747 39.000 0.345 0.000 1.364 24 F HN -0.813 7.190 8.300 -0.495 0.000 0.475 25 H N -0.493 118.718 119.070 0.234 0.000 2.974 25 H HA 0.450 5.031 4.556 0.041 0.000 0.366 25 H C -1.455 173.647 175.328 -0.376 0.000 1.155 25 H CA -1.888 54.145 56.048 -0.026 0.000 1.186 25 H CB 3.638 33.329 29.762 -0.118 0.000 1.799 25 H HN 0.077 8.523 8.280 0.277 0.000 0.541 26 P HA 0.036 4.554 4.420 0.164 0.000 0.244 26 P C -0.934 176.320 177.300 -0.075 0.000 1.211 26 P CA 1.619 64.685 63.100 -0.057 0.000 0.760 26 P CB 0.238 31.968 31.700 0.050 0.000 0.961 27 M N -2.620 116.987 119.600 0.011 0.000 2.514 27 M HA 0.074 4.583 4.480 0.048 0.000 0.258 27 M C 0.484 176.729 176.300 -0.090 0.000 1.159 27 M CA 1.113 56.446 55.300 0.056 0.000 1.116 27 M CB 1.130 33.837 32.600 0.178 0.000 1.333 27 M HN -0.636 7.629 8.290 0.160 0.121 0.487 28 D N 0.770 120.994 120.400 -0.292 0.000 2.249 28 D HA -0.115 4.464 4.640 -0.103 0.000 0.205 28 D C 2.327 178.556 176.300 -0.118 0.000 0.962 28 D CA 3.206 57.066 54.000 -0.234 0.000 0.860 28 D CB 0.002 40.653 40.800 -0.250 0.000 0.955 28 D HN -0.379 7.613 8.370 -0.447 0.110 0.505 29 F N -2.965 117.032 119.950 0.079 0.000 2.367 29 F HA 0.137 4.902 4.527 0.025 -0.223 0.298 29 F C 1.556 177.376 175.800 0.033 0.000 1.094 29 F CA 0.070 58.092 58.000 0.036 0.000 1.409 29 F CB -0.661 38.346 39.000 0.011 0.000 1.064 29 F HN -0.930 6.831 8.300 -0.859 0.024 0.528 30 E N -1.628 118.662 120.200 0.149 0.000 2.204 30 E HA -0.252 4.166 4.350 0.113 0.000 0.194 30 E C 0.221 176.863 176.600 0.070 0.000 0.989 30 E CA 2.478 58.938 56.400 0.099 0.000 0.824 30 E CB -0.483 29.257 29.700 0.068 0.000 0.756 30 E HN 0.002 8.382 8.360 0.079 0.027 0.477 31 D N -2.686 117.748 120.400 0.057 0.000 2.216 31 D HA 0.013 4.674 4.640 0.035 0.000 0.208 31 D C -0.664 175.668 176.300 0.053 0.000 0.960 31 D CA 1.234 55.260 54.000 0.042 0.000 0.861 31 D CB 1.173 41.987 40.800 0.024 0.000 0.985 31 D HN -0.428 7.947 8.370 0.052 0.026 0.493 32 D N -4.384 116.064 120.400 0.079 0.000 2.769 32 D HA 0.354 5.032 4.640 0.064 0.000 0.219 32 D C -1.845 174.528 176.300 0.123 0.000 1.245 32 D CA -1.521 52.527 54.000 0.080 0.000 0.801 32 D CB 3.183 44.020 40.800 0.060 0.000 1.598 32 D HN -0.669 7.760 8.370 0.099 0.000 0.485 33 P HA -0.039 4.436 4.420 0.090 0.000 0.217 33 P C 1.275 178.614 177.300 0.066 0.000 1.151 33 P CA 2.039 65.181 63.100 0.071 0.000 0.828 33 P CB 0.615 32.328 31.700 0.022 0.000 0.788 34 L N -3.272 117.984 121.223 0.055 0.000 2.054 34 L HA -0.402 3.951 4.340 0.022 0.000 0.220 34 L C 2.054 178.970 176.870 0.077 0.000 1.081 34 L CA 3.372 58.239 54.840 0.046 0.000 0.780 34 L CB -1.418 40.665 42.059 0.040 0.000 0.893 34 L HN 0.042 8.301 8.230 0.049 0.000 0.438 35 V N -2.142 117.856 119.914 0.141 0.000 2.233 35 V HA -0.418 3.981 4.120 0.163 -0.181 0.252 35 V C 2.929 179.173 176.094 0.250 0.000 1.063 35 V CA 3.512 65.945 62.300 0.222 0.000 1.032 35 V CB -1.188 30.816 31.823 0.301 0.000 0.645 35 V HN -0.529 7.742 8.190 0.138 0.001 0.446 36 L N -1.089 120.254 121.223 0.199 0.000 2.141 36 L HA -0.410 3.813 4.340 -0.195 0.000 0.209 36 L C 1.436 178.221 176.870 -0.141 0.000 1.094 36 L CA 3.129 57.841 54.840 -0.214 0.000 0.763 36 L CB -0.534 41.071 42.059 -0.757 0.000 0.908 36 L HN -0.276 8.125 8.230 0.286 0.000 0.437 37 N N -0.314 118.347 118.700 -0.066 0.000 2.028 37 N HA -0.420 4.270 4.740 -0.082 0.000 0.194 37 N C 2.063 177.557 175.510 -0.026 0.000 1.050 37 N CA 3.756 56.774 53.050 -0.053 0.000 0.848 37 N CB -0.191 38.278 38.487 -0.029 0.000 1.038 37 N HN -0.038 8.221 8.380 -0.027 0.105 0.423 38 E N -0.318 119.883 120.200 0.001 0.000 2.085 38 E HA -0.315 4.381 4.350 -0.019 -0.357 0.194 38 E C 2.802 179.408 176.600 0.010 0.000 0.994 38 E CA 2.757 59.155 56.400 -0.003 0.000 0.801 38 E CB -0.471 29.229 29.700 0.000 0.000 0.743 38 E HN 0.184 8.553 8.360 0.015 0.000 0.453 39 I N 1.032 121.644 120.570 0.069 0.000 2.113 39 I HA -0.535 3.763 4.170 0.214 0.000 0.238 39 I C 1.713 177.927 176.117 0.161 0.000 1.070 39 I CA 4.418 65.829 61.300 0.185 0.000 1.332 39 I CB -0.171 37.986 38.000 0.262 0.000 1.044 39 I HN -0.294 7.955 8.210 0.076 0.007 0.402 40 R N -0.231 120.276 120.500 0.012 0.000 2.097 40 R HA -0.556 3.761 4.340 -0.040 0.000 0.236 40 R C 2.221 178.527 176.300 0.010 0.000 1.135 40 R CA 3.818 59.897 56.100 -0.035 0.000 0.934 40 R CB -0.056 30.172 30.300 -0.120 0.000 0.846 40 R HN 0.238 8.367 8.270 -0.047 0.113 0.431 41 E N -2.533 117.663 120.200 -0.007 0.000 2.130 41 E HA -0.355 3.985 4.350 -0.015 0.000 0.196 41 E C 2.249 178.860 176.600 0.019 0.000 0.998 41 E CA 3.070 59.466 56.400 -0.006 0.000 0.806 41 E CB -0.836 28.852 29.700 -0.021 0.000 0.738 41 E HN -0.112 8.234 8.360 -0.023 0.000 0.459 42 D N 1.039 121.461 120.400 0.038 0.000 2.117 42 D HA -0.233 4.390 4.640 -0.028 0.000 0.197 42 D C 2.574 178.996 176.300 0.203 0.000 0.987 42 D CA 3.216 57.233 54.000 0.029 0.000 0.829 42 D CB -0.354 40.340 40.800 -0.178 0.000 0.961 42 D HN -0.211 8.072 8.370 0.037 0.109 0.460 43 L N -1.628 119.774 121.223 0.298 0.000 2.141 43 L HA -0.370 4.193 4.340 0.371 0.000 0.209 43 L C 2.346 179.280 176.870 0.107 0.000 1.094 43 L CA 3.279 58.265 54.840 0.245 0.000 0.763 43 L CB -0.289 41.841 42.059 0.118 0.000 0.908 43 L HN -0.106 8.197 8.230 0.274 0.091 0.437 44 R N -2.442 118.088 120.500 0.050 0.000 2.119 44 R HA -0.317 4.000 4.340 -0.039 0.000 0.222 44 R C 2.263 178.571 176.300 0.014 0.000 1.088 44 R CA 3.556 59.654 56.100 -0.003 0.000 0.984 44 R CB 0.160 30.445 30.300 -0.025 0.000 0.884 44 R HN -0.528 7.650 8.270 0.055 0.125 0.447 45 V N -2.649 117.283 119.914 0.029 0.000 2.788 45 V HA -0.131 3.990 4.120 0.001 0.000 0.251 45 V C 1.184 177.295 176.094 0.028 0.000 1.068 45 V CA 2.354 64.662 62.300 0.014 0.000 1.090 45 V CB -0.180 31.639 31.823 -0.006 0.000 0.710 45 V HN -0.142 7.983 8.190 0.040 0.089 0.467 46 E N 0.354 120.609 120.200 0.092 0.000 2.051 46 E HA -0.236 4.145 4.350 0.050 0.000 0.189 46 E C 2.296 179.004 176.600 0.180 0.000 0.979 46 E CA 3.003 59.481 56.400 0.131 0.000 0.803 46 E CB -0.405 29.461 29.700 0.277 0.000 0.761 46 E HN 0.156 8.562 8.360 0.121 0.027 0.451 47 C N -0.262 119.192 119.300 0.256 0.000 2.437 47 C HA -0.139 4.796 4.460 0.792 0.000 0.283 47 C C 1.685 176.911 174.990 0.394 0.000 1.424 47 C CA 3.843 63.134 59.018 0.455 0.000 1.782 47 C CB -0.571 27.296 27.740 0.211 0.000 1.833 47 C HN -0.226 8.117 8.230 0.187 0.000 0.532 48 S N 0.782 116.568 115.700 0.143 0.000 2.406 48 S HA -0.190 4.375 4.470 0.124 -0.020 0.228 48 S C 0.756 175.361 174.600 0.008 0.000 1.020 48 S CA 2.989 61.239 58.200 0.082 0.000 0.965 48 S CB -0.439 62.773 63.200 0.019 0.000 0.798 48 S HN -0.365 7.848 8.310 0.093 0.152 0.488 49 K N 0.492 120.790 120.400 -0.168 0.000 2.144 49 K HA -0.263 3.917 4.320 -0.234 0.000 0.209 49 K C 1.211 177.564 176.600 -0.412 0.000 1.047 49 K CA 2.149 58.197 56.287 -0.398 0.000 0.927 49 K CB -0.908 31.169 32.500 -0.704 0.000 0.716 49 K HN -0.611 7.461 8.250 -0.132 0.099 0.454 50 F N -4.922 115.058 119.950 0.050 0.000 2.446 50 F HA -0.003 4.547 4.527 0.039 0.000 0.292 50 F C 0.911 176.769 175.800 0.097 0.000 1.096 50 F CA 0.405 58.436 58.000 0.053 0.000 1.438 50 F CB 0.852 39.854 39.000 0.004 0.000 1.107 50 F HN -0.652 7.523 8.300 -0.169 0.024 0.546 51 G N -3.608 105.375 108.800 0.305 0.000 3.331 51 G HA2 0.134 4.188 3.960 0.158 0.000 0.153 51 G HA3 0.134 4.384 3.960 0.255 -0.138 0.153 51 G C -2.557 172.436 174.900 0.154 0.000 1.216 51 G CA 0.731 45.962 45.100 0.217 0.000 1.426 51 G HN -0.886 7.507 8.290 0.337 0.099 0.705 52 Q N -0.870 119.018 119.800 0.146 0.000 2.587 52 Q HA 0.317 4.680 4.340 0.039 0.000 0.293 52 Q C -1.384 174.589 176.000 -0.046 0.000 1.083 52 Q CA -1.580 54.254 55.803 0.052 0.000 0.792 52 Q CB 3.886 32.648 28.738 0.040 0.000 1.484 52 Q HN -0.085 8.306 8.270 0.201 0.000 0.446 53 I N 1.567 122.075 120.570 -0.103 0.000 2.412 53 I HA 0.225 4.138 4.170 -0.429 0.000 0.279 53 I C 0.231 176.257 176.117 -0.151 0.000 1.063 53 I CA -2.110 59.055 61.300 -0.225 0.000 1.193 53 I CB -1.593 36.296 38.000 -0.184 0.000 1.370 53 I HN 0.319 8.495 8.210 -0.058 0.000 0.479 54 R N 4.794 125.207 120.500 -0.146 0.000 2.117 54 R HA -0.276 4.046 4.340 -0.031 0.000 0.243 54 R C 0.268 176.532 176.300 -0.059 0.000 1.143 54 R CA 2.020 58.084 56.100 -0.060 0.000 0.968 54 R CB 0.444 30.735 30.300 -0.014 0.000 0.863 54 R HN 0.394 8.541 8.270 -0.205 0.000 0.444 55 K N -3.739 116.603 120.400 -0.096 0.000 2.622 55 K HA 0.058 4.343 4.320 -0.058 0.000 0.273 55 K C -2.965 173.577 176.600 -0.098 0.000 0.957 55 K CA -0.038 56.208 56.287 -0.068 0.000 0.861 55 K CB 2.238 34.726 32.500 -0.021 0.000 1.405 55 K HN -0.790 7.349 8.250 -0.160 0.016 0.406 56 L N 2.754 123.928 121.223 -0.081 0.000 2.401 56 L HA 0.664 5.074 4.340 -0.121 -0.142 0.266 56 L C -1.312 175.507 176.870 -0.086 0.000 0.991 56 L CA -0.723 54.056 54.840 -0.101 0.000 0.818 56 L CB 3.155 45.153 42.059 -0.102 0.000 1.321 56 L HN 0.239 8.432 8.230 -0.062 0.000 0.413 57 L N 5.438 126.584 121.223 -0.128 0.000 2.504 57 L HA 0.368 4.677 4.340 -0.052 0.000 0.265 57 L C -1.801 174.895 176.870 -0.291 0.000 0.975 57 L CA -0.561 54.219 54.840 -0.100 0.000 0.864 57 L CB 2.678 44.772 42.059 0.058 0.000 1.212 57 L HN 0.638 8.762 8.230 -0.175 0.000 0.416 58 L N 3.709 124.802 121.223 -0.216 0.000 2.257 58 L HA 0.239 4.331 4.340 -0.413 0.000 0.290 58 L C -0.817 175.999 176.870 -0.089 0.000 1.044 58 L CA -0.588 54.062 54.840 -0.317 0.000 0.810 58 L CB 1.348 43.160 42.059 -0.411 0.000 1.193 58 L HN 0.370 8.513 8.230 -0.146 0.000 0.425 59 F N 6.014 125.942 119.950 -0.037 0.000 2.515 59 F HA 0.061 4.579 4.527 -0.015 0.000 0.353 59 F C 0.461 176.351 175.800 0.150 0.000 1.213 59 F CA -3.657 54.374 58.000 0.051 0.000 1.194 59 F CB -2.118 36.921 39.000 0.064 0.000 1.488 59 F HN 0.346 8.468 8.300 -0.296 0.000 0.619 60 D N 2.401 122.865 120.400 0.106 0.000 2.841 60 D HA -0.083 4.775 4.640 0.363 0.000 0.244 60 D C -0.710 175.770 176.300 0.298 0.000 1.228 60 D CA -0.144 53.942 54.000 0.142 0.000 0.872 60 D CB -1.511 39.113 40.800 -0.292 0.000 1.082 60 D HN 0.001 8.383 8.370 0.020 0.000 0.457 61 R N -2.970 117.721 120.500 0.318 0.000 2.561 61 R HA 0.173 4.610 4.340 0.163 0.000 0.213 61 R C 0.219 176.618 176.300 0.165 0.000 0.885 61 R CA -0.798 55.420 56.100 0.197 0.000 1.002 61 R CB 1.122 31.499 30.300 0.127 0.000 1.432 61 R HN -0.368 8.027 8.270 0.415 0.124 0.651 62 H N 4.474 123.629 119.070 0.141 0.000 2.819 62 H HA 0.248 4.810 4.556 0.009 0.000 0.303 62 H C -0.537 174.729 175.328 -0.105 0.000 1.058 62 H CA -0.739 55.320 56.048 0.018 0.000 1.471 62 H CB 1.600 31.344 29.762 -0.030 0.000 1.480 62 H HN -0.649 7.888 8.280 0.428 0.000 0.517 63 P HA -0.114 3.817 4.420 -0.815 0.000 0.239 63 P C -0.413 176.710 177.300 -0.296 0.000 1.184 63 P CA 0.790 63.613 63.100 -0.462 0.000 0.760 63 P CB 0.017 31.541 31.700 -0.292 0.000 0.884 64 D N -1.498 118.875 120.400 -0.046 0.000 2.462 64 D HA 0.075 4.696 4.640 -0.032 0.000 0.221 64 D C -0.320 175.825 176.300 -0.259 0.000 1.173 64 D CA -1.270 52.730 54.000 -0.002 0.000 0.831 64 D CB 1.180 42.092 40.800 0.186 0.000 1.001 64 D HN -0.719 7.621 8.370 0.139 0.114 0.499 65 G N -0.104 108.360 108.800 -0.560 0.000 2.345 65 G HA2 -0.475 1.652 3.960 -3.016 0.000 0.205 65 G HA3 -0.475 2.766 3.960 -1.358 -0.096 0.205 65 G C -2.332 171.894 174.900 -1.124 0.000 0.534 65 G CA 0.934 45.100 45.100 -1.556 0.000 0.968 65 G HN -0.473 7.498 8.290 -0.411 0.073 0.330 66 V N 4.715 124.147 119.914 -0.803 0.000 2.531 66 V HA 0.892 4.980 4.120 -0.524 -0.282 0.301 66 V C -1.799 174.145 176.094 -0.250 0.000 1.034 66 V CA -1.979 60.042 62.300 -0.464 0.000 0.865 66 V CB 2.962 34.379 31.823 -0.677 0.000 0.995 66 V HN -0.545 7.310 8.190 -0.559 0.000 0.424 67 A N 6.508 129.087 122.820 -0.402 0.000 2.454 67 A HA 0.685 4.601 4.320 -0.848 -0.106 0.302 67 A C -2.573 174.635 177.584 -0.627 0.000 1.079 67 A CA -1.915 49.800 52.037 -0.536 0.000 0.731 67 A CB 4.138 23.032 19.000 -0.176 0.000 1.299 67 A HN 0.095 8.013 8.150 -0.387 0.000 0.413 68 S N 0.239 115.531 115.700 -0.679 0.000 2.640 68 S HA 0.831 5.339 4.470 -0.282 -0.208 0.320 68 S C -0.957 173.526 174.600 -0.195 0.000 1.097 68 S CA -1.947 56.024 58.200 -0.382 0.000 1.092 68 S CB 1.533 64.527 63.200 -0.343 0.000 0.988 68 S HN 0.688 8.429 8.310 -0.765 0.110 0.470 69 V N 9.017 128.878 119.914 -0.088 0.000 2.328 69 V HA 0.340 4.478 4.120 -0.146 -0.106 0.278 69 V C -1.159 174.911 176.094 -0.040 0.000 1.021 69 V CA -1.075 61.170 62.300 -0.092 0.000 0.838 69 V CB 0.498 32.283 31.823 -0.064 0.000 0.999 69 V HN 0.670 8.833 8.190 -0.045 0.000 0.447 70 S N 6.481 122.120 115.700 -0.100 0.000 2.584 70 S HA 0.299 4.992 4.470 0.156 -0.130 0.273 70 S C -0.634 173.853 174.600 -0.188 0.000 1.311 70 S CA 0.123 58.320 58.200 -0.004 0.000 1.034 70 S CB 1.256 64.469 63.200 0.022 0.000 0.939 70 S HN 0.476 8.613 8.310 -0.126 0.097 0.513 71 F N 2.255 122.244 119.950 0.065 0.000 2.593 71 F HA 0.299 4.859 4.527 0.056 0.000 0.320 71 F C 0.333 176.176 175.800 0.071 0.000 1.060 71 F CA -0.016 58.019 58.000 0.059 0.000 0.940 71 F CB 3.311 42.337 39.000 0.043 0.000 1.268 71 F HN 0.752 9.244 8.300 0.318 0.000 0.475 72 R N 1.934 122.591 120.500 0.261 0.000 2.080 72 R HA -0.058 4.373 4.340 0.151 0.000 0.222 72 R C -1.108 175.308 176.300 0.193 0.000 1.107 72 R CA 1.265 57.473 56.100 0.180 0.000 0.980 72 R CB 0.932 31.311 30.300 0.132 0.000 0.879 72 R HN 0.651 9.098 8.270 0.295 0.000 0.439 73 D N -4.317 116.200 120.400 0.195 0.000 2.248 73 D HA 0.248 4.974 4.640 0.143 0.000 0.246 73 D C -1.461 174.867 176.300 0.045 0.000 1.027 73 D CA -3.820 50.254 54.000 0.125 0.000 0.853 73 D CB 1.115 41.972 40.800 0.094 0.000 1.243 73 D HN -0.504 8.012 8.370 0.242 0.000 0.462 74 P HA -0.063 4.265 4.420 -0.154 0.000 0.221 74 P C 1.087 178.279 177.300 -0.180 0.000 1.150 74 P CA 1.771 64.747 63.100 -0.207 0.000 0.800 74 P CB 0.704 32.076 31.700 -0.548 0.000 0.787 75 E N -2.142 117.986 120.200 -0.119 0.000 2.077 75 E HA -0.307 3.982 4.350 -0.101 0.000 0.193 75 E C 2.349 178.902 176.600 -0.079 0.000 0.989 75 E CA 3.303 59.653 56.400 -0.084 0.000 0.800 75 E CB -0.651 29.028 29.700 -0.035 0.000 0.746 75 E HN 0.457 8.730 8.360 -0.089 0.033 0.452 76 E N -0.446 119.698 120.200 -0.093 0.000 2.001 76 E HA -0.247 4.077 4.350 -0.042 0.000 0.193 76 E C 1.823 178.094 176.600 -0.549 0.000 0.994 76 E CA 2.525 58.823 56.400 -0.169 0.000 0.815 76 E CB -0.344 29.348 29.700 -0.014 0.000 0.770 76 E HN -0.726 7.702 8.360 -0.055 -0.101 0.453 77 A N -0.998 121.302 122.820 -0.866 0.000 1.870 77 A HA -0.440 2.676 4.320 -2.007 0.000 0.219 77 A C 1.755 178.985 177.584 -0.591 0.000 1.224 77 A CA 3.484 54.809 52.037 -1.187 0.000 0.650 77 A CB -1.231 17.280 19.000 -0.815 0.000 0.836 77 A HN -0.600 7.166 8.150 -0.640 0.000 0.454 78 D N -2.392 117.806 120.400 -0.338 0.000 2.220 78 D HA -0.310 4.227 4.640 -0.170 0.000 0.198 78 D C 1.556 177.773 176.300 -0.137 0.000 1.001 78 D CA 3.338 57.222 54.000 -0.193 0.000 0.875 78 D CB 0.102 40.817 40.800 -0.140 0.000 0.921 78 D HN -0.429 7.754 8.370 -0.311 0.000 0.454 79 Y N -1.420 118.663 120.300 -0.362 0.000 2.503 79 Y HA -0.090 4.320 4.550 -0.234 0.000 0.278 79 Y C 0.822 176.394 175.900 -0.547 0.000 1.111 79 Y CA 0.703 58.596 58.100 -0.344 0.000 1.270 79 Y CB 0.927 39.226 38.460 -0.269 0.000 1.063 79 Y HN -0.278 7.729 8.280 -0.197 0.155 0.548 80 C N -1.578 117.190 119.300 -0.887 0.000 2.495 80 C HA -0.244 3.096 4.460 -1.867 0.000 0.275 80 C C 1.614 176.299 174.990 -0.510 0.000 1.392 80 C CA 1.803 60.099 59.018 -1.203 0.000 1.766 80 C CB -0.708 26.299 27.740 -1.221 0.000 1.933 80 C HN 0.446 7.987 8.230 -0.756 0.235 0.519 81 I N -1.644 118.719 120.570 -0.345 0.000 2.761 81 I HA -0.248 3.840 4.170 -0.136 0.000 0.261 81 I C -0.237 175.819 176.117 -0.102 0.000 1.198 81 I CA 2.336 63.534 61.300 -0.169 0.000 1.482 81 I CB -0.466 37.458 38.000 -0.127 0.000 1.100 81 I HN 0.002 7.947 8.210 -0.380 0.037 0.445 82 Q N -5.185 114.562 119.800 -0.088 0.000 2.376 82 Q HA -0.140 4.195 4.340 -0.008 0.000 0.206 82 Q C 1.003 177.012 176.000 0.016 0.000 0.921 82 Q CA 1.760 57.559 55.803 -0.006 0.000 0.911 82 Q CB 0.085 28.858 28.738 0.060 0.000 1.032 82 Q HN -0.222 7.939 8.270 -0.130 0.030 0.510 83 T N -0.592 113.936 114.554 -0.043 0.000 3.037 83 T HA -0.006 4.398 4.350 0.091 0.000 0.252 83 T C 0.014 174.770 174.700 0.093 0.000 1.073 83 T CA 2.237 64.361 62.100 0.040 0.000 1.091 83 T CB 1.089 69.975 68.868 0.029 0.000 0.935 83 T HN -0.740 7.300 8.240 -0.169 0.099 0.488 84 L N -2.115 119.129 121.223 0.036 0.000 2.567 84 L HA 0.006 4.431 4.340 0.141 0.000 0.225 84 L C 1.102 177.973 176.870 0.001 0.000 1.119 84 L CA 1.018 55.898 54.840 0.068 0.000 0.871 84 L CB 0.013 42.107 42.059 0.059 0.000 1.036 84 L HN -0.512 7.686 8.230 -0.053 0.000 0.459 85 D N -1.426 118.964 120.400 -0.017 0.000 2.378 85 D HA -0.156 4.431 4.640 -0.073 0.009 0.227 85 D C 0.618 176.885 176.300 -0.055 0.000 1.012 85 D CA 1.452 55.425 54.000 -0.046 0.000 0.905 85 D CB -1.034 39.747 40.800 -0.033 0.000 0.895 85 D HN -0.157 8.154 8.370 -0.010 0.053 0.532 86 G N -2.271 106.523 108.800 -0.010 0.000 3.528 86 G HA2 0.089 3.991 3.960 -0.097 0.000 0.266 86 G HA3 0.089 4.091 3.960 0.071 0.000 0.266 86 G C -1.057 173.859 174.900 0.026 0.000 1.004 86 G CA -0.908 44.188 45.100 -0.007 0.000 0.853 86 G HN -0.745 7.473 8.290 0.030 0.090 0.501 87 R N -0.383 120.152 120.500 0.058 0.000 2.827 87 R HA -0.065 4.489 4.340 0.355 0.000 0.269 87 R C -1.620 174.761 176.300 0.136 0.000 1.048 87 R CA 0.995 57.232 56.100 0.227 0.000 1.173 87 R CB 1.224 31.698 30.300 0.290 0.000 1.070 87 R HN -0.692 7.473 8.270 0.026 0.120 0.498 88 W N -1.942 119.532 121.300 0.290 0.000 2.619 88 W HA 0.534 5.502 4.660 0.230 -0.170 0.327 88 W C -0.567 176.178 176.519 0.376 0.000 1.027 88 W CA -1.008 56.492 57.345 0.259 0.000 1.233 88 W CB 1.907 31.438 29.460 0.119 0.000 1.370 88 W HN 0.081 8.630 8.180 0.615 0.000 0.453 89 F N 1.473 121.535 119.950 0.187 0.000 2.520 89 F HA 0.320 4.944 4.527 0.162 0.000 0.322 89 F C 0.710 176.603 175.800 0.155 0.000 1.103 89 F CA -1.736 56.356 58.000 0.154 0.000 0.926 89 F CB 3.249 42.322 39.000 0.120 0.000 1.154 89 F HN 0.903 9.487 8.300 0.474 0.000 0.453 90 G N 2.679 111.612 108.800 0.222 0.000 2.205 90 G HA2 -0.448 3.587 3.960 0.123 0.000 0.269 90 G HA3 -0.448 3.631 3.960 0.198 0.000 0.269 90 G C 0.182 175.180 174.900 0.164 0.000 0.977 90 G CA 0.692 45.896 45.100 0.174 0.000 0.652 90 G HN 0.715 9.066 8.290 0.101 0.000 0.539 91 G N -3.778 105.156 108.800 0.222 0.000 2.253 91 G HA2 -0.227 3.852 3.960 0.199 0.000 0.209 91 G HA3 -0.227 3.834 3.960 0.168 0.000 0.209 91 G C -1.117 174.055 174.900 0.454 0.000 0.997 91 G CA -0.510 44.736 45.100 0.244 0.000 0.640 91 G HN -0.119 8.229 8.290 0.260 0.099 0.496 92 R N 0.020 120.760 120.500 0.400 0.000 2.720 92 R HA 0.326 4.965 4.340 0.500 0.000 0.272 92 R C -1.531 174.734 176.300 -0.059 0.000 0.991 92 R CA -1.691 54.581 56.100 0.287 0.000 1.010 92 R CB 1.946 32.299 30.300 0.088 0.000 1.141 92 R HN -0.183 8.108 8.270 0.302 0.160 0.494 93 Q N 1.531 120.753 119.800 -0.964 0.000 2.382 93 Q HA 0.379 3.922 4.340 -1.609 -0.168 0.229 93 Q C -0.248 175.410 176.000 -0.569 0.000 1.006 93 Q CA 0.067 55.031 55.803 -1.398 0.000 0.916 93 Q CB 1.668 29.325 28.738 -1.801 0.000 1.235 93 Q HN 0.178 7.886 8.270 -0.936 0.000 0.512 94 I N -4.151 116.152 120.570 -0.445 0.000 2.969 94 I HA 0.557 4.661 4.170 -0.274 -0.099 0.307 94 I C -2.338 173.635 176.117 -0.239 0.000 1.149 94 I CA -2.422 58.702 61.300 -0.294 0.000 1.008 94 I CB 4.153 41.973 38.000 -0.301 0.000 1.232 94 I HN 0.791 8.614 8.210 -0.510 0.081 0.435 95 T N 0.669 115.104 114.554 -0.199 0.000 2.940 95 T HA 0.435 4.808 4.350 -0.127 -0.099 0.288 95 T C -1.686 172.937 174.700 -0.127 0.000 1.033 95 T CA -2.810 59.205 62.100 -0.142 0.000 1.033 95 T CB 2.372 71.172 68.868 -0.114 0.000 1.079 95 T HN -0.403 7.710 8.240 -0.210 0.000 0.496 96 A N 3.552 126.319 122.820 -0.088 0.000 2.413 96 A HA 1.068 5.571 4.320 -0.083 -0.232 0.307 96 A C -1.755 175.804 177.584 -0.043 0.000 1.087 96 A CA -2.021 49.974 52.037 -0.070 0.000 0.750 96 A CB 3.520 22.481 19.000 -0.065 0.000 1.296 96 A HN 0.300 8.406 8.150 -0.074 0.000 0.423 97 Q N -2.974 116.814 119.800 -0.019 0.000 2.702 97 Q HA 0.108 4.443 4.340 -0.009 0.000 0.289 97 Q C -2.740 173.290 176.000 0.051 0.000 0.923 97 Q CA -1.166 54.642 55.803 0.010 0.000 0.787 97 Q CB 2.297 31.051 28.738 0.027 0.000 1.476 97 Q HN -0.105 8.155 8.270 -0.017 0.000 0.402 98 A N -0.130 122.725 122.820 0.058 0.000 2.301 98 A HA 0.330 4.888 4.320 0.116 -0.169 0.298 98 A C -1.013 176.685 177.584 0.190 0.000 1.185 98 A CA -0.695 51.402 52.037 0.099 0.000 0.830 98 A CB 0.711 19.733 19.000 0.037 0.000 1.112 98 A HN 0.320 8.491 8.150 0.035 0.000 0.508 99 W N 5.200 126.526 121.300 0.043 0.000 2.283 99 W HA 0.065 4.758 4.660 0.054 0.000 0.341 99 W C -1.266 175.280 176.519 0.047 0.000 1.206 99 W CA 0.252 57.632 57.345 0.058 0.000 1.294 99 W CB 1.763 31.279 29.460 0.094 0.000 1.154 99 W HN 0.229 8.519 8.180 0.363 0.108 0.613 100 D N 2.482 122.419 120.400 -0.772 0.000 3.234 100 D HA -0.033 4.343 4.640 -0.440 0.000 0.281 100 D C -0.585 174.968 176.300 -1.244 0.000 1.405 100 D CA -0.293 53.276 54.000 -0.719 0.000 1.115 100 D CB 1.960 42.528 40.800 -0.387 0.000 1.198 100 D HN -0.122 7.594 8.370 -1.089 0.000 0.388 101 G N -2.388 105.570 108.800 -1.403 0.000 3.181 101 G HA2 -0.028 2.867 3.960 -1.775 0.000 0.230 101 G HA3 -0.028 3.471 3.960 -0.768 0.000 0.230 101 G C -1.071 173.643 174.900 -0.310 0.000 2.154 101 G CA -0.183 44.276 45.100 -1.067 0.000 1.020 101 G HN -0.426 7.217 8.290 -1.079 0.000 0.494 102 T N -2.152 112.357 114.554 -0.074 0.000 3.057 102 T HA 0.095 4.440 4.350 -0.009 0.000 0.254 102 T C 0.539 175.298 174.700 0.099 0.000 0.965 102 T CA -0.223 61.892 62.100 0.025 0.000 0.978 102 T CB 0.760 69.618 68.868 -0.016 0.000 1.169 102 T HN -0.106 8.123 8.240 -0.018 0.000 0.489 103 T N 3.914 118.603 114.554 0.225 0.000 2.937 103 T HA -0.064 4.124 4.350 -0.270 0.000 0.316 103 T C -1.285 173.296 174.700 -0.198 0.000 1.079 103 T CA 1.654 63.645 62.100 -0.181 0.000 1.131 103 T CB 0.886 69.369 68.868 -0.642 0.000 1.000 103 T HN -0.638 7.932 8.240 0.550 0.000 0.549 104 D N 5.392 125.582 120.400 -0.349 0.000 2.643 104 D HA 0.212 4.790 4.640 -0.102 0.000 0.244 104 D C 0.084 176.273 176.300 -0.186 0.000 1.257 104 D CA -0.193 53.699 54.000 -0.180 0.000 0.831 104 D CB 0.103 40.850 40.800 -0.088 0.000 1.043 104 D HN 0.200 8.286 8.370 -0.474 0.000 0.488 105 Y N -0.590 119.597 120.300 -0.188 0.000 2.034 105 Y HA -0.331 4.094 4.550 -0.209 0.000 0.269 105 Y C 1.506 177.017 175.900 -0.649 0.000 1.125 105 Y CA 1.994 59.855 58.100 -0.399 0.000 1.097 105 Y CB -0.234 37.938 38.460 -0.481 0.000 0.978 105 Y HN -0.388 7.429 8.280 -0.644 0.077 0.480 106 Q N -2.409 116.965 119.800 -0.709 0.000 2.259 106 Q HA -0.060 3.941 4.340 -0.565 0.000 0.201 106 Q C 0.350 176.212 176.000 -0.230 0.000 0.938 106 Q CA 0.508 55.959 55.803 -0.586 0.000 0.872 106 Q CB -0.319 28.057 28.738 -0.604 0.000 0.971 106 Q HN -0.232 7.643 8.270 -0.657 0.000 0.494 107 S N 0.209 115.821 115.700 -0.147 0.000 2.553 107 S HA -0.167 4.297 4.470 -0.010 0.000 0.271 107 S C 0.076 174.650 174.600 -0.045 0.000 1.362 107 S CA 0.405 58.582 58.200 -0.038 0.000 1.010 107 S CB 0.452 63.670 63.200 0.031 0.000 0.865 107 S HN -0.445 7.757 8.310 -0.180 0.000 0.543 108 G N 0.445 109.235 108.800 -0.016 0.000 3.042 108 G HA2 0.398 4.343 3.960 -0.025 0.000 0.278 108 G HA3 0.398 4.349 3.960 -0.015 0.000 0.278 108 G C -2.836 172.060 174.900 -0.006 0.000 1.371 108 G CA -1.436 43.654 45.100 -0.016 0.000 1.009 108 G HN 0.069 8.360 8.290 0.001 0.000 0.523 109 P HA 0.066 4.484 4.420 -0.003 0.000 0.271 109 P C -0.473 176.827 177.300 -0.000 0.000 1.233 109 P CA -0.320 62.778 63.100 -0.003 0.000 0.764 109 P CB 0.777 32.475 31.700 -0.004 0.000 0.825 110 S N 5.236 120.937 115.700 0.001 0.000 3.266 110 S HA 0.084 4.556 4.470 0.003 0.000 0.209 110 S C -0.852 173.748 174.600 0.001 0.000 1.409 110 S CA -0.267 57.935 58.200 0.003 0.000 1.179 110 S CB -1.072 62.131 63.200 0.004 0.000 1.218 110 S HN 0.340 8.651 8.310 0.001 0.000 0.514 111 S N 0.997 116.697 115.700 0.000 0.000 2.588 111 S HA 0.130 4.600 4.470 -0.000 0.000 0.269 111 S C -1.181 173.419 174.600 -0.000 0.000 1.157 111 S CA 0.141 58.341 58.200 -0.000 0.000 0.824 111 S CB 0.951 64.151 63.200 -0.001 0.000 1.126 111 S HN -0.406 7.835 8.310 0.000 0.070 0.464 112 G N 0.000 108.800 108.800 -0.001 0.000 5.446 112 G HA2 0.000 nan 3.960 nan 0.000 0.244 112 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 112 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 112 G HN 0.000 8.290 8.290 -0.001 0.000 0.925