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 1x4h_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGLPS DVTEGKTVFI RNLSFDSEEE ALGEVLQQFG DLKYVRVVLH DATA SEQUENCE PDTEHSKGCA FAQFMTQEAA QKCLAAASLE AEGGGLKLDG RQLKVDLAVT DATA SEQUENCE RDEAASGPSS G 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 0.000 0.000 0.244 1 G C 0.000 174.900 174.900 0.000 0.000 0.946 1 G CA 0.000 45.100 45.100 0.000 0.000 0.502 2 S N -0.038 115.662 115.700 0.001 0.000 2.656 2 S HA 0.776 5.247 4.470 0.000 0.000 0.273 2 S C -1.505 173.095 174.600 0.001 0.000 1.168 2 S CA -0.512 57.689 58.200 0.001 0.000 0.817 2 S CB 2.288 65.488 63.200 0.001 0.000 1.146 2 S HN 0.545 8.855 8.310 0.001 0.000 0.475 3 S N -0.216 115.485 115.700 0.001 0.000 2.584 3 S HA 0.580 5.050 4.470 0.001 0.000 0.280 3 S C -1.125 173.476 174.600 0.001 0.000 1.162 3 S CA 0.029 58.230 58.200 0.001 0.000 0.951 3 S CB 1.126 64.327 63.200 0.001 0.000 1.108 3 S HN 0.627 8.938 8.310 0.001 0.000 0.464 4 G N 3.183 111.983 108.800 0.001 0.000 2.680 4 G HA2 -0.091 3.869 3.960 0.001 0.000 0.092 4 G HA3 -0.091 3.869 3.960 0.001 0.000 0.092 4 G C -1.842 173.059 174.900 0.001 0.000 1.097 4 G CA 0.330 45.431 45.100 0.001 0.000 1.368 4 G HN 0.194 8.485 8.290 0.001 0.000 0.619 5 S N 0.366 116.067 115.700 0.001 0.000 3.614 5 S HA -0.211 4.260 4.470 0.001 0.000 0.360 5 S C -0.705 173.896 174.600 0.001 0.000 1.023 5 S CA 0.096 58.296 58.200 0.001 0.000 1.114 5 S CB -0.126 63.075 63.200 0.001 0.000 0.907 5 S HN -0.184 8.127 8.310 0.001 0.000 0.470 6 S N 0.943 116.644 115.700 0.001 0.000 2.693 6 S HA 0.098 4.569 4.470 0.001 0.000 0.276 6 S C 0.115 174.715 174.600 0.001 0.000 1.192 6 S CA -0.021 58.180 58.200 0.001 0.000 0.994 6 S CB 1.028 64.228 63.200 0.001 0.000 1.012 6 S HN -0.229 8.073 8.310 0.001 0.009 0.550 7 G N 0.983 109.784 108.800 0.002 0.000 2.633 7 G HA2 0.270 4.231 3.960 0.002 0.000 0.299 7 G HA3 0.270 4.231 3.960 0.002 0.000 0.299 7 G C -1.872 173.029 174.900 0.002 0.000 1.501 7 G CA -0.708 44.393 45.100 0.002 0.000 0.887 7 G HN 0.338 8.628 8.290 0.002 0.000 0.561 8 L N 0.581 121.805 121.223 0.002 0.000 2.399 8 L HA 0.549 4.891 4.340 0.002 0.000 0.266 8 L C -1.865 175.007 176.870 0.003 0.000 1.114 8 L CA -1.823 53.018 54.840 0.002 0.000 0.804 8 L CB 0.546 42.607 42.059 0.002 0.000 1.146 8 L HN -0.128 8.103 8.230 0.002 0.000 0.451 9 P HA 0.048 4.470 4.420 0.004 0.000 0.271 9 P C -1.180 176.123 177.300 0.004 0.000 1.226 9 P CA -0.198 62.904 63.100 0.004 0.000 0.765 9 P CB 0.590 32.292 31.700 0.004 0.000 0.835 10 S N 3.219 118.922 115.700 0.005 0.000 2.461 10 S HA 0.133 4.606 4.470 0.006 0.000 0.322 10 S C -0.887 173.717 174.600 0.007 0.000 1.063 10 S CA -0.435 57.769 58.200 0.006 0.000 1.120 10 S CB 0.704 63.907 63.200 0.005 0.000 0.968 10 S HN 0.165 8.478 8.310 0.005 0.000 0.467 11 D N 6.216 126.621 120.400 0.008 0.000 2.497 11 D HA 0.216 4.862 4.640 0.009 0.000 0.243 11 D C -1.372 174.935 176.300 0.011 0.000 1.039 11 D CA -0.542 53.464 54.000 0.009 0.000 1.052 11 D CB 1.435 42.240 40.800 0.009 0.000 1.344 11 D HN 0.120 8.495 8.370 0.008 0.000 0.553 12 V N -0.037 119.885 119.914 0.014 0.000 2.427 12 V HA 0.314 4.444 4.120 0.017 0.000 0.286 12 V C -0.632 175.474 176.094 0.019 0.000 1.034 12 V CA -0.105 62.206 62.300 0.017 0.000 0.893 12 V CB 0.826 32.660 31.823 0.019 0.000 0.982 12 V HN 0.147 8.345 8.190 0.013 0.000 0.452 13 T N 5.123 119.691 114.554 0.022 0.000 2.865 13 T HA 0.319 4.683 4.350 0.024 0.000 0.294 13 T C -1.438 173.282 174.700 0.034 0.000 1.119 13 T CA -1.480 60.635 62.100 0.025 0.000 1.007 13 T CB 2.014 70.894 68.868 0.021 0.000 1.225 13 T HN -0.035 8.219 8.240 0.022 0.000 0.515 14 E N 0.878 121.101 120.200 0.038 0.000 1.858 14 E HA -0.001 4.384 4.350 0.059 0.000 0.267 14 E C -0.901 175.732 176.600 0.055 0.000 1.215 14 E CA 0.021 56.452 56.400 0.052 0.000 0.952 14 E CB -1.291 28.443 29.700 0.055 0.000 1.058 14 E HN 0.280 8.660 8.360 0.033 0.000 0.407 15 G N 2.677 111.510 108.800 0.055 0.000 4.885 15 G HA2 0.080 4.073 3.960 0.056 0.000 0.263 15 G HA3 0.080 4.064 3.960 0.039 0.000 0.263 15 G C -1.786 173.150 174.900 0.060 0.000 1.168 15 G CA 0.170 45.302 45.100 0.052 0.000 0.906 15 G HN -0.138 8.185 8.290 0.055 0.000 0.575 16 K N 0.946 121.398 120.400 0.086 0.000 2.450 16 K HA 0.295 4.657 4.320 0.071 0.000 0.257 16 K C -1.747 174.934 176.600 0.136 0.000 0.953 16 K CA -0.998 55.351 56.287 0.102 0.000 0.844 16 K CB 1.663 34.240 32.500 0.128 0.000 1.103 16 K HN -0.373 7.935 8.250 0.096 0.000 0.429 17 T N 3.268 117.898 114.554 0.127 0.000 2.883 17 T HA 0.467 5.016 4.350 0.148 -0.110 0.296 17 T C -1.704 173.087 174.700 0.153 0.000 1.117 17 T CA -1.105 61.084 62.100 0.149 0.000 1.006 17 T CB 3.900 72.862 68.868 0.157 0.000 1.191 17 T HN 0.240 8.538 8.240 0.095 0.000 0.508 18 V N -1.197 118.817 119.914 0.167 0.000 2.697 18 V HA 0.441 4.778 4.120 0.119 -0.145 0.296 18 V C -3.411 172.769 176.094 0.144 0.000 1.140 18 V CA -0.828 61.557 62.300 0.142 0.000 0.921 18 V CB 2.125 34.050 31.823 0.172 0.000 1.036 18 V HN 0.490 8.782 8.190 0.169 0.000 0.438 19 F N 9.475 129.384 119.950 -0.069 0.000 2.444 19 F HA 0.799 5.261 4.527 -0.372 -0.159 0.342 19 F C -1.865 173.798 175.800 -0.228 0.000 1.121 19 F CA -2.934 54.915 58.000 -0.252 0.000 0.997 19 F CB 3.280 42.116 39.000 -0.274 0.000 1.130 19 F HN 0.830 9.127 8.300 0.188 0.115 0.454 20 I N 7.983 127.992 120.570 -0.935 0.000 2.353 20 I HA 0.476 4.591 4.170 -0.475 -0.230 0.293 20 I C -0.830 174.678 176.117 -1.015 0.000 0.992 20 I CA -1.185 59.682 61.300 -0.722 0.000 1.268 20 I CB 1.109 38.861 38.000 -0.414 0.000 1.387 20 I HN 0.918 8.557 8.210 -0.953 0.000 0.478 21 R N 4.628 124.771 120.500 -0.596 0.000 2.832 21 R HA 0.496 4.529 4.340 -0.512 0.000 0.271 21 R C 0.018 176.193 176.300 -0.209 0.000 0.996 21 R CA -1.445 54.409 56.100 -0.410 0.000 0.977 21 R CB 3.425 33.596 30.300 -0.214 0.000 1.168 21 R HN 0.364 8.344 8.270 -0.407 0.046 0.482 22 N N -1.302 117.322 118.700 -0.127 0.000 2.754 22 N HA -0.401 4.314 4.740 -0.041 0.000 0.248 22 N C -1.059 174.408 175.510 -0.071 0.000 1.093 22 N CA 0.890 53.898 53.050 -0.070 0.000 0.699 22 N CB -0.832 37.623 38.487 -0.055 0.000 1.016 22 N HN 0.208 8.521 8.380 -0.111 0.000 0.552 23 L N -2.090 119.080 121.223 -0.088 0.000 2.452 23 L HA 0.006 4.300 4.340 -0.077 0.000 0.267 23 L C -0.018 176.845 176.870 -0.013 0.000 1.188 23 L CA 0.379 55.177 54.840 -0.069 0.000 0.821 23 L CB 0.936 42.938 42.059 -0.094 0.000 1.102 23 L HN -0.852 7.204 8.230 -0.109 0.108 0.470 24 S N -0.199 115.500 115.700 -0.001 0.000 2.541 24 S HA -0.000 4.506 4.470 0.060 0.000 0.283 24 S C 1.248 175.898 174.600 0.083 0.000 1.196 24 S CA -1.639 56.588 58.200 0.045 0.000 1.062 24 S CB 1.678 64.896 63.200 0.031 0.000 1.009 24 S HN -0.036 8.262 8.310 -0.021 0.000 0.502 25 F N 6.767 126.695 119.950 -0.037 0.000 2.184 25 F HA -0.251 4.261 4.527 -0.026 0.000 0.301 25 F C 0.293 176.082 175.800 -0.018 0.000 1.076 25 F CA 2.881 60.862 58.000 -0.031 0.000 1.295 25 F CB 0.300 39.271 39.000 -0.049 0.000 1.026 25 F HN 0.692 9.146 8.300 0.257 0.000 0.494 26 D N -3.625 116.825 120.400 0.084 0.000 2.178 26 D HA -0.197 4.451 4.640 0.014 0.000 0.202 26 D C 0.531 176.804 176.300 -0.043 0.000 0.974 26 D CA 1.560 55.570 54.000 0.016 0.000 0.841 26 D CB 0.669 41.490 40.800 0.036 0.000 0.953 26 D HN -0.538 7.879 8.370 0.130 0.031 0.478 27 S N 0.845 116.519 115.700 -0.044 0.000 2.558 27 S HA -0.097 4.347 4.470 -0.042 0.000 0.288 27 S C -1.168 173.381 174.600 -0.086 0.000 1.318 27 S CA 1.462 59.628 58.200 -0.056 0.000 1.056 27 S CB 0.567 63.735 63.200 -0.053 0.000 0.853 27 S HN -0.329 7.821 8.310 -0.020 0.148 0.505 28 E N 5.047 125.208 120.200 -0.065 0.000 2.383 28 E HA 0.238 4.539 4.350 -0.082 0.000 0.275 28 E C -0.524 176.050 176.600 -0.043 0.000 0.918 28 E CA -1.265 55.096 56.400 -0.065 0.000 0.764 28 E CB 3.628 33.293 29.700 -0.060 0.000 1.252 28 E HN -0.209 8.121 8.360 -0.051 0.000 0.449 29 E N 3.897 124.078 120.200 -0.031 0.000 2.169 29 E HA -0.578 3.764 4.350 -0.014 0.000 0.202 29 E C 1.146 177.734 176.600 -0.020 0.000 1.016 29 E CA 4.528 60.919 56.400 -0.014 0.000 0.817 29 E CB 0.241 29.945 29.700 0.006 0.000 0.736 29 E HN 0.611 8.951 8.360 -0.034 0.000 0.462 30 E N -0.302 119.886 120.200 -0.021 0.000 2.015 30 E HA -0.300 4.040 4.350 -0.017 0.000 0.191 30 E C 1.173 177.759 176.600 -0.023 0.000 0.991 30 E CA 3.130 59.518 56.400 -0.019 0.000 0.802 30 E CB -0.959 28.731 29.700 -0.017 0.000 0.759 30 E HN 0.202 8.531 8.360 -0.022 0.018 0.447 31 A N 0.136 122.941 122.820 -0.025 0.000 1.851 31 A HA -0.244 4.065 4.320 -0.019 0.000 0.216 31 A C 1.909 179.479 177.584 -0.023 0.000 1.195 31 A CA 2.616 54.640 52.037 -0.022 0.000 0.622 31 A CB -0.925 18.062 19.000 -0.023 0.000 0.831 31 A HN -0.269 7.865 8.150 -0.027 0.000 0.444 32 L N -1.756 119.449 121.223 -0.031 0.000 2.011 32 L HA -0.502 3.820 4.340 -0.030 0.000 0.225 32 L C 2.430 179.278 176.870 -0.036 0.000 1.084 32 L CA 2.726 57.544 54.840 -0.036 0.000 0.791 32 L CB -0.352 41.677 42.059 -0.051 0.000 0.898 32 L HN 0.302 8.412 8.230 -0.035 0.099 0.440 33 G N -3.727 105.043 108.800 -0.050 0.000 2.446 33 G HA2 -0.464 3.430 3.960 -0.110 0.000 0.217 33 G HA3 -0.464 3.451 3.960 -0.075 0.000 0.217 33 G C 1.162 176.032 174.900 -0.050 0.000 1.168 33 G CA 1.921 46.976 45.100 -0.074 0.000 0.771 33 G HN -0.492 7.771 8.290 -0.045 0.000 0.551 34 E N 0.276 120.458 120.200 -0.030 0.000 2.331 34 E HA -0.260 4.077 4.350 -0.022 0.000 0.199 34 E C 2.353 178.954 176.600 0.002 0.000 1.008 34 E CA 2.515 58.905 56.400 -0.018 0.000 0.843 34 E CB -0.369 29.321 29.700 -0.017 0.000 0.761 34 E HN -0.383 7.898 8.360 -0.030 0.061 0.507 35 V N -1.404 118.521 119.914 0.018 0.000 2.725 35 V HA -0.197 3.945 4.120 0.038 0.000 0.247 35 V C 0.760 176.956 176.094 0.170 0.000 1.058 35 V CA 2.262 64.598 62.300 0.061 0.000 1.080 35 V CB 0.165 32.020 31.823 0.052 0.000 0.713 35 V HN -0.296 7.700 8.190 0.003 0.196 0.465 36 L N -3.825 117.492 121.223 0.158 0.000 2.585 36 L HA 0.025 4.751 4.340 0.643 0.000 0.226 36 L C 1.679 178.725 176.870 0.292 0.000 1.113 36 L CA 0.634 55.671 54.840 0.328 0.000 0.876 36 L CB -0.366 41.755 42.059 0.103 0.000 1.072 36 L HN -0.700 7.450 8.230 0.055 0.113 0.468 37 Q N -1.000 118.854 119.800 0.091 0.000 2.172 37 Q HA -0.186 4.346 4.340 -0.017 -0.202 0.200 37 Q C 1.858 177.928 176.000 0.117 0.000 0.964 37 Q CA 2.369 58.200 55.803 0.046 0.000 0.855 37 Q CB 0.106 28.834 28.738 -0.016 0.000 0.918 37 Q HN 0.063 8.211 8.270 0.052 0.154 0.444 38 Q N -1.066 118.762 119.800 0.047 0.000 2.096 38 Q HA -0.287 4.011 4.340 -0.070 0.000 0.208 38 Q C 1.979 177.926 176.000 -0.088 0.000 0.993 38 Q CA 2.568 58.310 55.803 -0.102 0.000 0.862 38 Q CB -0.663 27.897 28.738 -0.296 0.000 0.915 38 Q HN 0.075 8.374 8.270 0.048 0.000 0.416 39 F N -1.497 118.543 119.950 0.151 0.000 2.146 39 F HA -0.214 4.352 4.527 0.066 0.000 0.298 39 F C 0.466 176.378 175.800 0.186 0.000 1.096 39 F CA 1.672 59.756 58.000 0.141 0.000 1.275 39 F CB 0.464 39.532 39.000 0.114 0.000 1.008 39 F HN -0.756 7.706 8.300 0.277 0.004 0.480 40 G N -5.180 103.952 108.800 0.554 0.000 2.495 40 G HA2 -0.015 4.089 3.960 0.241 0.000 0.294 40 G HA3 -0.015 4.225 3.960 0.467 0.000 0.294 40 G C -2.952 172.120 174.900 0.286 0.000 1.397 40 G CA -0.774 44.570 45.100 0.406 0.000 0.790 40 G HN -0.965 7.657 8.290 0.683 0.078 0.486 41 D N -0.126 120.380 120.400 0.175 0.000 2.458 41 D HA -0.099 4.550 4.640 0.016 0.000 0.243 41 D C -0.760 175.504 176.300 -0.060 0.000 1.146 41 D CA 1.345 55.376 54.000 0.051 0.000 0.877 41 D CB 0.566 41.400 40.800 0.056 0.000 1.176 41 D HN 0.132 8.612 8.370 0.184 0.000 0.461 42 L N 1.801 122.913 121.223 -0.185 0.000 2.275 42 L HA 0.086 4.228 4.340 -0.522 -0.115 0.288 42 L C 0.550 177.336 176.870 -0.140 0.000 1.046 42 L CA -0.495 54.147 54.840 -0.330 0.000 0.805 42 L CB 0.984 42.811 42.059 -0.387 0.000 1.193 42 L HN -0.034 8.119 8.230 -0.128 0.000 0.426 43 K N 6.261 126.605 120.400 -0.094 0.000 2.025 43 K HA -0.167 4.179 4.320 0.043 0.000 0.207 43 K C -0.799 175.871 176.600 0.117 0.000 1.049 43 K CA 1.852 58.163 56.287 0.040 0.000 0.933 43 K CB 1.106 33.675 32.500 0.115 0.000 0.714 43 K HN 0.669 8.720 8.250 -0.146 0.112 0.438 44 Y N -7.535 112.741 120.300 -0.041 0.000 2.480 44 Y HA 0.133 4.667 4.550 -0.026 0.000 0.329 44 Y C -2.794 173.095 175.900 -0.019 0.000 1.127 44 Y CA -1.914 56.173 58.100 -0.022 0.000 1.037 44 Y CB 1.920 40.380 38.460 0.001 0.000 1.320 44 Y HN -0.767 7.416 8.280 -0.161 0.000 0.446 45 V N 5.558 125.462 119.914 -0.016 0.000 2.376 45 V HA 0.265 4.225 4.120 -0.266 0.000 0.287 45 V C -1.637 174.522 176.094 0.108 0.000 1.015 45 V CA -1.274 60.976 62.300 -0.084 0.000 0.834 45 V CB 1.454 33.223 31.823 -0.089 0.000 1.001 45 V HN 0.160 8.420 8.190 0.116 0.000 0.428 46 R N 8.133 128.743 120.500 0.183 0.000 2.621 46 R HA 0.503 5.210 4.340 0.170 -0.265 0.292 46 R C -2.270 174.164 176.300 0.224 0.000 0.969 46 R CA -2.032 54.212 56.100 0.239 0.000 0.887 46 R CB 4.224 34.732 30.300 0.346 0.000 1.180 46 R HN 0.565 8.903 8.270 0.114 0.000 0.450 47 V N 5.421 125.431 119.914 0.160 0.000 2.334 47 V HA 0.191 4.423 4.120 0.186 0.000 0.281 47 V C -1.454 174.747 176.094 0.179 0.000 1.016 47 V CA -1.836 60.555 62.300 0.151 0.000 0.832 47 V CB 2.107 33.964 31.823 0.057 0.000 0.999 47 V HN -0.071 8.333 8.190 0.125 -0.139 0.439 48 V N 8.532 128.611 119.914 0.276 0.000 2.788 48 V HA -0.098 4.142 4.120 0.200 0.000 0.307 48 V C -1.256 174.948 176.094 0.184 0.000 1.069 48 V CA 1.007 63.457 62.300 0.250 0.000 1.173 48 V CB 1.252 33.295 31.823 0.367 0.000 0.925 48 V HN 0.106 8.524 8.190 0.380 0.000 0.492 49 L N 4.621 125.937 121.223 0.154 0.000 2.323 49 L HA 0.296 4.741 4.340 0.175 0.000 0.265 49 L C -0.460 176.526 176.870 0.193 0.000 1.012 49 L CA -2.033 52.904 54.840 0.161 0.000 0.820 49 L CB 2.644 44.773 42.059 0.117 0.000 1.334 49 L HN -0.217 8.094 8.230 0.135 0.000 0.427 50 H N 2.686 121.831 119.070 0.125 0.000 2.972 50 H HA -0.027 4.599 4.556 0.118 0.000 0.343 50 H C -0.455 174.916 175.328 0.071 0.000 1.054 50 H CA 0.010 56.128 56.048 0.115 0.000 1.412 50 H CB 2.219 32.074 29.762 0.156 0.000 1.385 50 H HN -0.198 8.290 8.280 0.348 0.000 0.600 51 P HA -0.017 4.360 4.420 -0.072 0.000 0.219 51 P C -0.464 176.764 177.300 -0.120 0.000 1.150 51 P CA 1.434 64.434 63.100 -0.166 0.000 0.814 51 P CB 0.419 31.996 31.700 -0.204 0.000 0.787 52 D N -1.990 118.315 120.400 -0.158 0.000 2.154 52 D HA -0.022 4.609 4.640 -0.014 0.000 0.211 52 D C 0.386 176.724 176.300 0.064 0.000 0.977 52 D CA 1.696 55.705 54.000 0.016 0.000 0.869 52 D CB 0.598 41.473 40.800 0.126 0.000 1.022 52 D HN -0.211 7.853 8.370 -0.471 0.024 0.461 53 T N -0.396 114.244 114.554 0.143 0.000 2.841 53 T HA 0.257 4.591 4.350 -0.027 0.000 0.276 53 T C -1.483 173.228 174.700 0.019 0.000 1.003 53 T CA -2.174 59.915 62.100 -0.019 0.000 0.995 53 T CB 1.530 70.228 68.868 -0.284 0.000 1.260 53 T HN -0.704 7.777 8.240 0.400 0.000 0.581 54 E N 0.122 120.297 120.200 -0.042 0.000 2.303 54 E HA -0.073 4.321 4.350 0.074 0.000 0.211 54 E C -1.040 175.645 176.600 0.142 0.000 1.223 54 E CA 0.059 56.487 56.400 0.046 0.000 1.344 54 E CB -0.744 28.974 29.700 0.029 0.000 1.299 54 E HN 0.106 8.400 8.360 -0.110 0.000 0.441 55 H N 0.217 119.398 119.070 0.185 0.000 2.819 55 H HA 0.012 4.787 4.556 0.364 0.000 0.303 55 H C -0.199 175.249 175.328 0.199 0.000 1.058 55 H CA -1.141 55.059 56.048 0.253 0.000 1.471 55 H CB -0.027 29.824 29.762 0.148 0.000 1.480 55 H HN -0.161 8.089 8.280 0.150 0.119 0.517 56 S N 6.288 122.098 115.700 0.184 0.000 2.519 56 S HA -0.208 4.276 4.470 0.022 0.000 0.310 56 S C 0.009 174.693 174.600 0.141 0.000 1.201 56 S CA 1.361 59.553 58.200 -0.014 0.000 1.179 56 S CB -0.374 62.579 63.200 -0.412 0.000 1.104 56 S HN 0.472 8.817 8.310 0.058 0.000 0.527 57 K N 5.178 125.679 120.400 0.168 0.000 2.440 57 K HA -0.162 4.275 4.320 0.194 0.000 0.270 57 K C 1.353 178.018 176.600 0.109 0.000 0.980 57 K CA 0.334 56.728 56.287 0.177 0.000 0.953 57 K CB 0.666 33.296 32.500 0.216 0.000 0.925 57 K HN -0.390 7.962 8.250 0.170 0.000 0.497 58 G N 1.613 110.469 108.800 0.093 0.000 3.392 58 G HA2 0.017 4.087 3.960 0.017 0.000 0.247 58 G HA3 0.017 3.995 3.960 0.030 0.000 0.247 58 G C -1.450 173.429 174.900 -0.035 0.000 1.161 58 G CA -0.273 44.844 45.100 0.029 0.000 1.739 58 G HN 0.558 8.917 8.290 0.114 0.000 0.619 59 C N -3.523 115.753 119.300 -0.040 0.000 3.181 59 C HA 0.937 5.341 4.460 -0.455 -0.217 0.362 59 C C -2.211 172.696 174.990 -0.137 0.000 1.125 59 C CA -1.957 56.946 59.018 -0.191 0.000 1.265 59 C CB 3.201 30.998 27.740 0.095 0.000 1.632 59 C HN -0.349 7.777 8.230 0.019 0.115 0.525 60 A N 0.058 122.625 122.820 -0.422 0.000 2.587 60 A HA 0.378 4.786 4.320 0.145 0.000 0.293 60 A C -2.733 174.672 177.584 -0.298 0.000 1.087 60 A CA -0.558 51.387 52.037 -0.153 0.000 0.692 60 A CB 3.470 22.412 19.000 -0.097 0.000 1.291 60 A HN 0.443 8.051 8.150 -0.903 0.000 0.407 61 F N -1.436 118.625 119.950 0.184 0.000 2.507 61 F HA 0.760 5.591 4.527 0.270 -0.142 0.325 61 F C -1.534 174.233 175.800 -0.054 0.000 1.116 61 F CA -1.669 56.447 58.000 0.194 0.000 0.930 61 F CB 3.933 43.092 39.000 0.266 0.000 1.146 61 F HN 0.573 9.154 8.300 0.468 0.000 0.447 62 A N 0.616 123.421 122.820 -0.025 0.000 2.486 62 A HA 1.006 5.099 4.320 -0.638 -0.156 0.289 62 A C -2.471 174.873 177.584 -0.399 0.000 1.176 62 A CA -2.208 49.613 52.037 -0.360 0.000 0.757 62 A CB 4.270 23.120 19.000 -0.249 0.000 1.337 62 A HN 1.055 9.149 8.150 0.082 0.105 0.423 63 Q N -2.894 116.584 119.800 -0.536 0.000 2.345 63 Q HA 0.391 4.717 4.340 -0.022 0.000 0.275 63 Q C -1.934 173.960 176.000 -0.176 0.000 1.063 63 Q CA -1.270 54.399 55.803 -0.224 0.000 0.819 63 Q CB 4.278 32.932 28.738 -0.140 0.000 1.356 63 Q HN -0.075 7.812 8.270 -0.639 0.000 0.418 64 F N 2.208 122.139 119.950 -0.031 0.000 2.461 64 F HA 0.284 4.920 4.527 -0.004 -0.111 0.332 64 F C 0.346 176.160 175.800 0.023 0.000 1.073 64 F CA -0.376 57.623 58.000 -0.003 0.000 1.017 64 F CB 2.858 41.856 39.000 -0.003 0.000 1.301 64 F HN 0.445 8.923 8.300 0.296 0.000 0.492 65 M N -3.100 116.650 119.600 0.251 0.000 2.510 65 M HA 0.065 4.618 4.480 0.122 0.000 0.256 65 M C -0.416 175.969 176.300 0.142 0.000 1.132 65 M CA 1.365 56.757 55.300 0.153 0.000 1.105 65 M CB 1.177 33.846 32.600 0.115 0.000 1.375 65 M HN -0.056 8.437 8.290 0.337 0.000 0.477 66 T N -5.999 108.657 114.554 0.170 0.000 2.916 66 T HA 0.274 4.669 4.350 0.075 0.000 0.298 66 T C -0.112 174.615 174.700 0.044 0.000 1.031 66 T CA -2.341 59.814 62.100 0.091 0.000 0.993 66 T CB 3.325 72.235 68.868 0.070 0.000 1.045 66 T HN -0.546 7.816 8.240 0.265 0.038 0.454 67 Q N 4.355 124.166 119.800 0.018 0.000 2.077 67 Q HA -0.500 3.832 4.340 -0.012 0.000 0.206 67 Q C 2.041 177.991 176.000 -0.083 0.000 0.989 67 Q CA 4.684 60.475 55.803 -0.020 0.000 0.853 67 Q CB -0.446 28.287 28.738 -0.009 0.000 0.907 67 Q HN 0.684 8.971 8.270 0.029 0.000 0.418 68 E N -1.838 118.323 120.200 -0.065 0.000 2.130 68 E HA -0.363 3.935 4.350 -0.087 0.000 0.196 68 E C 1.572 178.066 176.600 -0.176 0.000 0.998 68 E CA 2.593 58.940 56.400 -0.088 0.000 0.806 68 E CB -0.401 29.275 29.700 -0.040 0.000 0.738 68 E HN 0.421 8.763 8.360 -0.031 0.000 0.459 69 A N -0.535 122.155 122.820 -0.217 0.000 1.841 69 A HA -0.352 3.800 4.320 -0.280 0.000 0.216 69 A C 1.649 178.599 177.584 -1.056 0.000 1.199 69 A CA 3.005 54.751 52.037 -0.486 0.000 0.621 69 A CB -0.935 17.908 19.000 -0.263 0.000 0.835 69 A HN -0.505 7.453 8.150 -0.116 0.123 0.445 70 A N -2.569 119.605 122.820 -1.077 0.000 1.927 70 A HA -0.438 3.107 4.320 -1.293 0.000 0.220 70 A C 2.527 179.792 177.584 -0.532 0.000 1.185 70 A CA 3.062 54.593 52.037 -0.842 0.000 0.639 70 A CB -0.921 17.919 19.000 -0.265 0.000 0.820 70 A HN -0.575 7.168 8.150 -0.678 0.000 0.451 71 Q N -2.687 116.898 119.800 -0.358 0.000 2.124 71 Q HA -0.309 3.910 4.340 -0.202 0.000 0.202 71 Q C 2.709 178.543 176.000 -0.276 0.000 0.977 71 Q CA 2.223 57.880 55.803 -0.242 0.000 0.850 71 Q CB -0.749 27.899 28.738 -0.151 0.000 0.901 71 Q HN -0.391 7.682 8.270 -0.320 0.005 0.429 72 K N -0.751 119.455 120.400 -0.323 0.000 2.209 72 K HA -0.259 3.991 4.320 -0.116 0.000 0.204 72 K C 2.470 178.723 176.600 -0.579 0.000 1.048 72 K CA 2.883 59.027 56.287 -0.239 0.000 0.940 72 K CB -0.283 32.198 32.500 -0.032 0.000 0.729 72 K HN -0.034 7.891 8.250 -0.354 0.112 0.451 73 C N -1.159 117.554 119.300 -0.978 0.000 2.457 73 C HA -0.305 2.563 4.460 -2.655 0.000 0.278 73 C C 1.240 175.872 174.990 -0.596 0.000 1.309 73 C CA 2.005 60.229 59.018 -1.324 0.000 1.735 73 C CB -0.867 26.342 27.740 -0.886 0.000 1.992 73 C HN -0.508 7.082 8.230 -0.833 0.140 0.493 74 L N 0.708 121.708 121.223 -0.371 0.000 1.948 74 L HA -0.374 3.864 4.340 -0.171 0.000 0.212 74 L C 2.355 179.140 176.870 -0.141 0.000 1.074 74 L CA 3.169 57.889 54.840 -0.200 0.000 0.753 74 L CB -0.907 41.064 42.059 -0.146 0.000 0.888 74 L HN -0.606 7.304 8.230 -0.394 0.083 0.432 75 A N -3.647 119.101 122.820 -0.120 0.000 2.104 75 A HA -0.515 3.778 4.320 -0.045 0.000 0.223 75 A C 1.327 178.898 177.584 -0.022 0.000 1.164 75 A CA 2.720 54.723 52.037 -0.057 0.000 0.659 75 A CB -0.876 18.100 19.000 -0.040 0.000 0.808 75 A HN -0.467 7.597 8.150 -0.143 0.000 0.465 76 A N -3.548 119.252 122.820 -0.034 0.000 1.943 76 A HA -0.195 4.182 4.320 0.095 0.000 0.213 76 A C 1.266 178.873 177.584 0.038 0.000 1.181 76 A CA 1.659 53.740 52.037 0.073 0.000 0.653 76 A CB 0.040 19.216 19.000 0.293 0.000 0.833 76 A HN -0.470 7.432 8.150 -0.133 0.169 0.451 77 A N -2.108 120.690 122.820 -0.037 0.000 2.167 77 A HA -0.141 4.180 4.320 0.002 0.000 0.214 77 A C 0.498 178.068 177.584 -0.025 0.000 1.151 77 A CA 1.229 53.248 52.037 -0.031 0.000 0.735 77 A CB -0.138 18.818 19.000 -0.074 0.000 0.802 77 A HN 0.102 7.980 8.150 -0.108 0.208 0.467 78 S N 0.196 115.881 115.700 -0.024 0.000 2.473 78 S HA 0.132 4.590 4.470 -0.019 0.000 0.312 78 S C 1.043 175.640 174.600 -0.005 0.000 1.087 78 S CA -1.331 56.859 58.200 -0.017 0.000 1.077 78 S CB -0.483 62.704 63.200 -0.022 0.000 1.065 78 S HN -0.319 7.914 8.310 -0.030 0.059 0.510 79 L N 4.513 125.734 121.223 -0.003 0.000 2.263 79 L HA -0.212 4.097 4.340 0.006 0.035 0.216 79 L C 1.158 178.029 176.870 0.001 0.000 1.111 79 L CA 2.500 57.341 54.840 0.001 0.000 0.773 79 L CB -0.413 41.646 42.059 -0.001 0.000 0.906 79 L HN 0.020 8.246 8.230 -0.007 0.000 0.439 80 E N 0.093 120.292 120.200 -0.002 0.000 2.072 80 E HA -0.237 4.112 4.350 -0.001 0.000 0.190 80 E C 0.463 177.062 176.600 -0.001 0.000 0.982 80 E CA 1.063 57.462 56.400 -0.002 0.000 0.803 80 E CB -0.022 29.676 29.700 -0.004 0.000 0.755 80 E HN -0.032 8.271 8.360 -0.004 0.055 0.453 81 A N 0.022 122.841 122.820 -0.001 0.000 2.532 81 A HA -0.166 4.152 4.320 -0.002 0.000 0.248 81 A C -0.351 177.236 177.584 0.005 0.000 1.118 81 A CA 0.403 52.440 52.037 0.000 0.000 0.805 81 A CB 0.335 19.334 19.000 -0.001 0.000 1.068 81 A HN -0.626 7.434 8.150 -0.004 0.087 0.518 82 E N 0.600 120.804 120.200 0.006 0.000 2.271 82 E HA -0.349 4.004 4.350 0.005 0.000 0.255 82 E C 0.346 176.953 176.600 0.012 0.000 1.177 82 E CA 0.860 57.264 56.400 0.007 0.000 0.946 82 E CB -1.205 28.499 29.700 0.007 0.000 1.009 82 E HN 0.273 8.635 8.360 0.004 0.000 0.451 83 G N 4.152 112.958 108.800 0.010 0.000 2.354 83 G HA2 -0.321 3.645 3.960 0.010 0.000 0.278 83 G HA3 -0.321 3.646 3.960 0.012 0.000 0.278 83 G C -1.056 173.856 174.900 0.021 0.000 0.953 83 G CA 0.286 45.394 45.100 0.013 0.000 1.346 83 G HN 0.043 8.338 8.290 0.007 0.000 0.467 84 G N 0.402 109.215 108.800 0.021 0.000 3.291 84 G HA2 0.579 4.567 3.960 0.046 0.000 0.173 84 G HA3 0.579 4.557 3.960 0.029 0.000 0.173 84 G C -1.225 173.692 174.900 0.027 0.000 1.099 84 G CA -0.571 44.548 45.100 0.032 0.000 0.794 84 G HN -0.640 7.659 8.290 0.015 0.000 0.651 85 G N 0.635 109.450 108.800 0.024 0.000 3.391 85 G HA2 -0.333 3.835 3.960 0.007 0.000 0.675 85 G HA3 -0.333 3.633 3.960 0.010 0.000 0.675 85 G C -0.812 174.104 174.900 0.026 0.000 0.899 85 G CA 0.022 45.132 45.100 0.016 0.000 0.755 85 G HN -0.156 8.017 8.290 0.023 0.130 0.475 86 L N 4.528 125.766 121.223 0.025 0.000 2.352 86 L HA 0.264 4.631 4.340 0.044 0.000 0.269 86 L C -0.688 176.189 176.870 0.012 0.000 1.034 86 L CA -0.910 53.951 54.840 0.034 0.000 0.806 86 L CB 2.497 44.590 42.059 0.055 0.000 1.244 86 L HN 0.301 8.538 8.230 0.013 0.000 0.447 87 K N -0.240 120.167 120.400 0.012 0.000 2.523 87 K HA 0.429 4.913 4.320 -0.006 -0.167 0.257 87 K C -1.493 175.108 176.600 0.001 0.000 0.932 87 K CA -0.931 55.357 56.287 0.001 0.000 0.812 87 K CB 3.314 35.815 32.500 0.001 0.000 1.326 87 K HN -0.019 8.244 8.250 0.021 0.000 0.433 88 L N 3.866 125.086 121.223 -0.006 0.000 2.457 88 L HA 0.161 4.500 4.340 -0.003 0.000 0.266 88 L C -1.652 175.216 176.870 -0.004 0.000 0.979 88 L CA 0.292 55.129 54.840 -0.006 0.000 0.857 88 L CB 1.451 43.502 42.059 -0.013 0.000 1.213 88 L HN 0.857 8.968 8.230 -0.010 0.113 0.418 89 D N 5.333 125.733 120.400 0.000 0.000 2.775 89 D HA -0.231 4.412 4.640 0.005 0.000 0.235 89 D C 0.200 176.503 176.300 0.005 0.000 1.120 89 D CA 0.481 54.484 54.000 0.005 0.000 0.708 89 D CB -0.225 40.582 40.800 0.012 0.000 1.084 89 D HN 0.430 8.799 8.370 -0.000 0.000 0.434 90 G N -3.736 105.064 108.800 0.001 0.000 2.221 90 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.265 90 G HA3 -0.330 3.630 3.960 0.000 0.000 0.265 90 G C -1.474 173.424 174.900 -0.003 0.000 1.041 90 G CA 0.115 45.215 45.100 -0.001 0.000 0.807 90 G HN -0.040 8.250 8.290 0.000 0.000 0.502 91 R N -1.681 118.817 120.500 -0.005 0.000 2.515 91 R HA 0.184 4.519 4.340 -0.009 0.000 0.291 91 R C -1.308 174.982 176.300 -0.015 0.000 1.046 91 R CA -1.366 54.728 56.100 -0.009 0.000 0.914 91 R CB 2.206 32.501 30.300 -0.008 0.000 1.191 91 R HN -0.341 7.816 8.270 -0.004 0.110 0.435 92 Q N 3.524 123.314 119.800 -0.017 0.000 2.386 92 Q HA 0.040 4.562 4.340 -0.015 -0.191 0.282 92 Q C -0.435 175.543 176.000 -0.036 0.000 1.050 92 Q CA 1.106 56.896 55.803 -0.020 0.000 0.918 92 Q CB 0.888 29.616 28.738 -0.018 0.000 1.266 92 Q HN 0.283 8.544 8.270 -0.015 0.000 0.423 93 L N 1.702 122.901 121.223 -0.040 0.000 2.333 93 L HA 0.383 4.825 4.340 -0.089 -0.155 0.280 93 L C -0.510 176.314 176.870 -0.077 0.000 1.004 93 L CA -1.352 53.447 54.840 -0.069 0.000 0.820 93 L CB 1.779 43.802 42.059 -0.059 0.000 1.247 93 L HN 0.222 8.346 8.230 -0.026 0.090 0.416 94 K N 4.390 124.722 120.400 -0.113 0.000 2.347 94 K HA 0.211 4.488 4.320 -0.072 0.000 0.262 94 K C -1.458 175.058 176.600 -0.139 0.000 1.052 94 K CA -1.189 55.037 56.287 -0.102 0.000 0.946 94 K CB 1.005 33.456 32.500 -0.082 0.000 1.220 94 K HN 0.025 8.187 8.250 -0.147 0.000 0.450 95 V N 6.737 126.588 119.914 -0.105 0.000 2.370 95 V HA 0.432 4.723 4.120 -0.136 -0.252 0.279 95 V C -1.057 175.005 176.094 -0.053 0.000 1.029 95 V CA -0.725 61.514 62.300 -0.101 0.000 0.870 95 V CB 0.906 32.665 31.823 -0.107 0.000 0.984 95 V HN 0.386 8.525 8.190 -0.086 0.000 0.451 96 D N 7.205 127.607 120.400 0.004 0.000 2.819 96 D HA 0.182 4.823 4.640 0.001 0.000 0.232 96 D C -1.876 174.471 176.300 0.079 0.000 1.160 96 D CA -1.633 52.392 54.000 0.041 0.000 0.858 96 D CB 3.833 44.680 40.800 0.078 0.000 1.610 96 D HN 0.195 8.575 8.370 0.017 0.000 0.481 97 L N 5.273 126.524 121.223 0.046 0.000 2.678 97 L HA 0.034 4.628 4.340 0.068 -0.213 0.276 97 L C -0.547 176.378 176.870 0.091 0.000 1.142 97 L CA 0.285 55.160 54.840 0.059 0.000 0.961 97 L CB -1.479 40.594 42.059 0.023 0.000 1.291 97 L HN 0.376 8.617 8.230 0.018 0.000 0.476 98 A N 7.310 130.216 122.820 0.143 0.000 2.250 98 A HA -0.068 4.316 4.320 0.106 0.000 0.283 98 A C -1.948 175.704 177.584 0.113 0.000 1.206 98 A CA -0.258 51.869 52.037 0.150 0.000 0.840 98 A CB 1.554 20.718 19.000 0.274 0.000 1.220 98 A HN -0.163 8.089 8.150 0.169 0.000 0.505 99 V N -2.945 117.019 119.914 0.084 0.000 2.950 99 V HA 0.202 4.364 4.120 0.070 0.000 0.295 99 V C -0.675 175.427 176.094 0.013 0.000 1.297 99 V CA 0.063 62.394 62.300 0.052 0.000 0.962 99 V CB 3.185 35.027 31.823 0.033 0.000 1.081 99 V HN -0.256 7.979 8.190 0.076 0.000 0.432 100 T N 5.882 120.439 114.554 0.005 0.000 3.162 100 T HA 0.240 4.548 4.350 -0.070 0.000 0.316 100 T C -0.269 174.413 174.700 -0.031 0.000 1.182 100 T CA -0.049 62.030 62.100 -0.035 0.000 1.015 100 T CB -0.962 67.884 68.868 -0.037 0.000 1.089 100 T HN 0.219 8.475 8.240 0.027 0.000 0.646 101 R N 5.392 125.871 120.500 -0.036 0.000 2.500 101 R HA 0.191 4.519 4.340 -0.020 0.000 0.277 101 R C -0.598 175.681 176.300 -0.035 0.000 1.026 101 R CA -0.559 55.524 56.100 -0.028 0.000 1.058 101 R CB 1.042 31.328 30.300 -0.022 0.000 1.078 101 R HN -0.360 7.883 8.270 -0.044 0.000 0.509 102 D N 2.014 122.397 120.400 -0.028 0.000 2.454 102 D HA 0.101 4.720 4.640 -0.035 0.000 0.247 102 D C -0.733 175.553 176.300 -0.023 0.000 1.129 102 D CA -0.671 53.312 54.000 -0.029 0.000 0.877 102 D CB 1.014 41.798 40.800 -0.028 0.000 1.082 102 D HN 0.129 8.485 8.370 -0.022 0.000 0.537 103 E N 2.219 122.406 120.200 -0.023 0.000 2.481 103 E HA -0.186 4.154 4.350 -0.016 0.000 0.240 103 E C -0.881 175.710 176.600 -0.016 0.000 1.193 103 E CA 0.436 56.826 56.400 -0.018 0.000 0.955 103 E CB -1.000 28.690 29.700 -0.018 0.000 1.006 103 E HN 0.310 8.653 8.360 -0.027 0.000 0.483 104 A N 3.727 126.539 122.820 -0.013 0.000 2.547 104 A HA 0.126 4.439 4.320 -0.011 0.000 0.300 104 A C -2.203 175.375 177.584 -0.010 0.000 1.061 104 A CA -0.007 52.023 52.037 -0.012 0.000 0.808 104 A CB 1.226 20.218 19.000 -0.014 0.000 1.304 104 A HN -0.020 8.122 8.150 -0.013 0.000 0.393 105 A N 2.157 124.972 122.820 -0.008 0.000 2.597 105 A HA 0.417 4.733 4.320 -0.007 0.000 0.292 105 A C -1.539 176.041 177.584 -0.006 0.000 1.057 105 A CA -0.325 51.708 52.037 -0.007 0.000 0.674 105 A CB 1.252 20.249 19.000 -0.006 0.000 1.278 105 A HN -0.038 8.107 8.150 -0.008 0.000 0.416 106 S N 0.703 116.400 115.700 -0.005 0.000 2.508 106 S HA 0.204 4.671 4.470 -0.005 0.000 0.284 106 S C -0.307 174.291 174.600 -0.004 0.000 1.192 106 S CA 0.006 58.203 58.200 -0.005 0.000 1.070 106 S CB 0.773 63.971 63.200 -0.004 0.000 1.004 106 S HN 0.035 8.342 8.310 -0.005 0.000 0.493 107 G N 2.851 111.649 108.800 -0.004 0.000 2.367 107 G HA2 0.296 4.255 3.960 -0.003 0.000 0.314 107 G HA3 0.296 4.255 3.960 -0.003 0.000 0.314 107 G C -1.749 173.149 174.900 -0.003 0.000 1.130 107 G CA -1.696 43.402 45.100 -0.003 0.000 0.864 107 G HN 0.230 8.518 8.290 -0.004 0.000 0.486 108 P HA 0.272 4.691 4.420 -0.002 0.000 0.271 108 P C -0.515 176.783 177.300 -0.002 0.000 1.220 108 P CA -0.340 62.759 63.100 -0.002 0.000 0.768 108 P CB 0.715 32.413 31.700 -0.002 0.000 0.848 109 S N 2.691 118.390 115.700 -0.002 0.000 2.606 109 S HA 0.150 4.619 4.470 -0.002 0.000 0.257 109 S C -0.285 174.314 174.600 -0.002 0.000 1.327 109 S CA 0.589 58.788 58.200 -0.002 0.000 0.984 109 S CB 0.416 63.615 63.200 -0.002 0.000 0.941 109 S HN 0.273 8.581 8.310 -0.002 0.000 0.576 110 S N -0.952 114.748 115.700 -0.001 0.000 2.709 110 S HA 0.596 5.065 4.470 -0.001 0.000 0.302 110 S C -0.719 173.881 174.600 -0.001 0.000 1.127 110 S CA -1.093 57.107 58.200 -0.001 0.000 0.905 110 S CB 1.464 64.663 63.200 -0.001 0.000 1.151 110 S HN 0.231 8.540 8.310 -0.002 0.000 0.510 111 G N 0.000 108.799 108.800 -0.001 0.000 5.446 111 G HA2 0.000 nan 3.960 nan 0.000 0.244 111 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 111 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 111 G HN 0.000 8.289 8.290 -0.001 0.000 0.925