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 1oo4_1_A DATA FIRST_RESID 1 DATA SEQUENCE GMNNNMSLQD AEWYWGDISR EEVNEKLRDT ADGTFLVRDA STKMHGDYTL DATA SEQUENCE TLRKGGNNKS IKIFHRDGKY GFSDSLTFNS VVELINHYRN ESLAQYNPKL DATA SEQUENCE DVKLLYPVSK Y VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.618 3.960 -0.570 0.000 0.244 1 G C 0.000 174.420 174.900 -0.799 0.000 0.946 1 G CA 0.000 44.710 45.100 -0.651 0.000 0.502 2 M N -1.602 117.569 119.600 -0.715 0.000 1.607 2 M HA 0.083 4.396 4.480 -0.278 0.000 0.169 2 M C -1.673 174.497 176.300 -0.216 0.000 1.512 2 M CA 0.886 55.958 55.300 -0.380 0.000 0.757 2 M CB 0.751 33.200 32.600 -0.253 0.000 1.613 2 M HN -0.317 7.584 8.290 -0.648 0.000 0.623 3 N N 0.781 119.373 118.700 -0.180 0.000 2.563 3 N HA 0.175 4.863 4.740 -0.086 0.000 0.288 3 N C -0.833 174.613 175.510 -0.107 0.000 1.246 3 N CA -0.678 52.313 53.050 -0.099 0.000 0.946 3 N CB 0.629 39.093 38.487 -0.039 0.000 1.213 3 N HN -0.416 7.819 8.380 -0.241 0.000 0.578 4 N N 0.923 119.584 118.700 -0.066 0.000 2.971 4 N HA -0.065 4.633 4.740 -0.071 0.000 0.294 4 N C -0.976 174.510 175.510 -0.040 0.000 1.210 4 N CA 0.739 53.756 53.050 -0.056 0.000 1.157 4 N CB -0.878 37.586 38.487 -0.039 0.000 1.450 4 N HN 0.263 8.613 8.380 -0.050 0.000 0.527 5 N N 2.735 121.409 118.700 -0.043 0.000 2.271 5 N HA 0.043 4.773 4.740 -0.017 0.000 0.267 5 N C -0.516 174.991 175.510 -0.005 0.000 0.987 5 N CA 0.367 53.408 53.050 -0.014 0.000 0.824 5 N CB 1.475 39.968 38.487 0.010 0.000 1.775 5 N HN 0.032 8.288 8.380 -0.077 0.078 0.728 6 M N -1.866 117.736 119.600 0.003 0.000 3.459 6 M HA -0.285 4.278 4.480 -0.013 -0.090 0.169 6 M C -1.905 174.423 176.300 0.046 0.000 1.383 6 M CA 0.794 56.099 55.300 0.008 0.000 0.906 6 M CB -2.014 30.558 32.600 -0.047 0.000 1.292 6 M HN -0.124 8.138 8.290 -0.046 0.000 0.585 7 S N -0.709 115.076 115.700 0.142 0.000 2.441 7 S HA 0.345 4.938 4.470 -0.117 -0.193 0.187 7 S C -1.290 173.179 174.600 -0.219 0.000 0.917 7 S CA 0.670 58.829 58.200 -0.069 0.000 1.078 7 S CB 1.531 64.664 63.200 -0.111 0.000 1.379 7 S HN -0.196 8.431 8.310 0.528 0.000 0.399 8 L N 3.039 124.107 121.223 -0.258 0.000 1.433 8 L HA 0.164 4.242 4.340 -0.437 0.000 0.079 8 L C -0.492 176.224 176.870 -0.258 0.000 1.532 8 L CA 2.182 56.802 54.840 -0.367 0.000 1.090 8 L CB 0.301 42.085 42.059 -0.459 0.000 2.182 8 L HN 0.013 8.154 8.230 -0.148 0.000 0.440 9 Q N -0.498 119.263 119.800 -0.065 0.000 2.135 9 Q HA -0.265 4.189 4.340 0.190 0.000 0.204 9 Q C -0.063 175.969 176.000 0.054 0.000 0.981 9 Q CA 2.371 58.184 55.803 0.016 0.000 0.856 9 Q CB 0.042 28.608 28.738 -0.287 0.000 0.902 9 Q HN 0.287 8.548 8.270 -0.016 0.000 0.425 10 D N -2.866 117.517 120.400 -0.029 0.000 2.483 10 D HA 0.276 5.207 4.640 0.104 -0.229 0.281 10 D C -1.229 175.012 176.300 -0.098 0.000 1.174 10 D CA -2.247 51.753 54.000 0.000 0.000 0.938 10 D CB -0.086 40.708 40.800 -0.010 0.000 1.002 10 D HN -0.388 7.968 8.370 -0.024 0.000 0.501 11 A N 3.077 125.729 122.820 -0.280 0.000 3.585 11 A HA 0.090 4.247 4.320 -0.273 0.000 0.191 11 A C -0.480 176.967 177.584 -0.228 0.000 1.981 11 A CA 0.581 52.377 52.037 -0.403 0.000 1.145 11 A CB 0.487 18.972 19.000 -0.858 0.000 1.217 11 A HN -0.194 7.755 8.150 -0.335 0.000 0.404 12 E N -0.621 119.410 120.200 -0.283 0.000 2.045 12 E HA -0.119 4.217 4.350 -0.023 0.000 0.195 12 E C 1.628 178.312 176.600 0.139 0.000 0.953 12 E CA 1.020 57.377 56.400 -0.072 0.000 0.859 12 E CB -0.125 29.526 29.700 -0.083 0.000 0.854 12 E HN -0.019 8.004 8.360 -0.562 0.000 0.471 13 W N -3.047 118.370 121.300 0.195 0.000 3.204 13 W HA 0.108 4.774 4.660 0.010 0.000 0.249 13 W C -0.924 175.765 176.519 0.283 0.000 1.322 13 W CA -0.442 56.978 57.345 0.124 0.000 1.593 13 W CB -0.296 29.150 29.460 -0.024 0.000 1.122 13 W HN -0.334 7.857 8.180 0.018 0.000 0.710 14 Y N 2.283 122.630 120.300 0.079 0.000 2.632 14 Y HA -0.059 4.680 4.550 0.315 0.000 0.336 14 Y C 0.011 176.083 175.900 0.288 0.000 1.237 14 Y CA -2.325 55.875 58.100 0.167 0.000 1.595 14 Y CB -2.563 35.893 38.460 -0.008 0.000 1.508 14 Y HN -0.303 8.110 8.280 0.354 0.080 0.480 15 W N 1.632 123.050 121.300 0.196 0.000 2.587 15 W HA 0.129 4.862 4.660 0.123 0.000 0.307 15 W C 0.043 176.634 176.519 0.119 0.000 1.138 15 W CA -1.075 56.354 57.345 0.140 0.000 1.450 15 W CB 0.320 29.860 29.460 0.132 0.000 1.149 15 W HN 0.083 8.705 8.180 0.852 0.069 0.512 16 G N 2.798 111.444 108.800 -0.257 0.000 2.289 16 G HA2 -0.506 3.347 3.960 -0.369 0.000 0.280 16 G HA3 -0.506 3.534 3.960 -0.134 -0.160 0.280 16 G C -2.001 172.599 174.900 -0.500 0.000 1.089 16 G CA 0.325 45.214 45.100 -0.351 0.000 0.939 16 G HN -0.439 7.603 8.290 -0.413 0.000 0.499 17 D N -1.375 118.394 120.400 -1.052 0.000 2.739 17 D HA 0.155 4.538 4.640 -0.430 0.000 0.335 17 D C -1.816 173.935 176.300 -0.915 0.000 1.216 17 D CA -0.684 52.841 54.000 -0.793 0.000 0.808 17 D CB 0.920 41.440 40.800 -0.467 0.000 1.121 17 D HN -0.198 7.001 8.370 -1.952 0.000 0.499 18 I N -4.750 115.447 120.570 -0.621 0.000 2.611 18 I HA 0.311 4.306 4.170 -0.293 0.000 0.287 18 I C -2.029 173.969 176.117 -0.198 0.000 1.184 18 I CA -1.139 59.952 61.300 -0.348 0.000 1.054 18 I CB 3.222 41.111 38.000 -0.184 0.000 1.257 18 I HN -0.602 7.250 8.210 -0.596 0.000 0.435 19 S N 4.464 120.080 115.700 -0.140 0.000 2.748 19 S HA 0.397 4.821 4.470 -0.076 0.000 0.299 19 S C 1.057 175.624 174.600 -0.054 0.000 1.119 19 S CA -2.832 55.318 58.200 -0.083 0.000 0.997 19 S CB 1.857 65.016 63.200 -0.068 0.000 1.223 19 S HN 0.139 8.355 8.310 -0.156 0.000 0.541 20 R N 2.139 122.619 120.500 -0.034 0.000 2.080 20 R HA -0.368 3.967 4.340 -0.010 0.000 0.236 20 R C 2.040 178.336 176.300 -0.008 0.000 1.137 20 R CA 4.587 60.678 56.100 -0.015 0.000 0.943 20 R CB -0.524 29.770 30.300 -0.010 0.000 0.846 20 R HN 0.641 8.890 8.270 -0.034 0.000 0.431 21 E N -1.856 118.335 120.200 -0.015 0.000 2.072 21 E HA -0.346 4.008 4.350 0.007 0.000 0.191 21 E C 1.676 178.269 176.600 -0.012 0.000 0.985 21 E CA 2.961 59.356 56.400 -0.007 0.000 0.801 21 E CB -1.182 28.512 29.700 -0.010 0.000 0.750 21 E HN 0.467 8.812 8.360 -0.025 0.000 0.452 22 E N -1.341 118.824 120.200 -0.058 0.000 2.152 22 E HA -0.237 4.041 4.350 -0.120 0.000 0.192 22 E C 2.148 178.702 176.600 -0.078 0.000 0.983 22 E CA 2.243 58.560 56.400 -0.140 0.000 0.818 22 E CB -0.778 28.771 29.700 -0.251 0.000 0.758 22 E HN -0.008 8.315 8.360 -0.062 0.000 0.467 23 V N 1.421 121.334 119.914 -0.001 0.000 2.237 23 V HA -0.510 3.725 4.120 0.190 0.000 0.245 23 V C 1.587 177.757 176.094 0.127 0.000 1.046 23 V CA 3.665 66.026 62.300 0.101 0.000 1.007 23 V CB 0.142 32.006 31.823 0.069 0.000 0.638 23 V HN 0.325 8.496 8.190 -0.032 0.000 0.445 24 N N -1.082 117.665 118.700 0.079 0.000 2.091 24 N HA -0.410 4.374 4.740 0.073 0.000 0.193 24 N C 2.484 178.053 175.510 0.099 0.000 1.021 24 N CA 3.121 56.216 53.050 0.076 0.000 0.862 24 N CB -0.295 38.220 38.487 0.047 0.000 1.018 24 N HN -0.590 7.819 8.380 0.049 0.000 0.429 25 E N -3.057 117.218 120.200 0.125 0.000 2.333 25 E HA -0.206 4.210 4.350 0.111 0.000 0.200 25 E C 0.756 177.468 176.600 0.186 0.000 1.010 25 E CA 2.021 58.518 56.400 0.163 0.000 0.841 25 E CB -0.084 29.738 29.700 0.204 0.000 0.757 25 E HN -0.443 7.979 8.360 0.103 0.000 0.508 26 K N -1.932 118.595 120.400 0.212 0.000 3.098 26 K HA 0.236 4.586 4.320 0.051 0.000 0.170 26 K C -1.977 174.682 176.600 0.098 0.000 1.106 26 K CA -1.012 55.338 56.287 0.105 0.000 0.864 26 K CB -0.669 31.824 32.500 -0.011 0.000 1.047 26 K HN -0.498 7.802 8.250 0.224 0.085 0.609 27 L N -0.978 120.291 121.223 0.077 0.000 3.256 27 L HA 0.326 4.708 4.340 0.070 0.000 0.217 27 L C -0.976 175.924 176.870 0.051 0.000 1.576 27 L CA 1.280 56.164 54.840 0.073 0.000 1.647 27 L CB 1.129 43.245 42.059 0.094 0.000 1.809 27 L HN -0.480 7.794 8.230 0.073 0.000 0.584 28 R N 0.570 121.099 120.500 0.048 0.000 2.293 28 R HA -0.217 4.147 4.340 0.039 0.000 0.219 28 R C 1.177 177.494 176.300 0.028 0.000 1.091 28 R CA 1.172 57.294 56.100 0.038 0.000 1.004 28 R CB -1.171 29.150 30.300 0.036 0.000 0.865 28 R HN 0.420 8.723 8.270 0.055 0.000 0.469 29 D N -2.033 118.382 120.400 0.025 0.000 2.110 29 D HA -0.149 4.500 4.640 0.016 0.000 0.202 29 D C 1.323 177.630 176.300 0.012 0.000 0.975 29 D CA 2.836 56.846 54.000 0.017 0.000 0.839 29 D CB -0.522 40.288 40.800 0.015 0.000 0.996 29 D HN 0.064 8.376 8.370 0.030 0.076 0.464 30 T N -0.578 113.982 114.554 0.010 0.000 2.942 30 T HA -0.086 4.264 4.350 0.000 0.000 0.265 30 T C -0.002 174.706 174.700 0.013 0.000 1.062 30 T CA 0.613 62.716 62.100 0.004 0.000 1.139 30 T CB 0.750 69.613 68.868 -0.007 0.000 0.883 30 T HN -0.649 7.600 8.240 0.015 0.000 0.468 31 A N 2.601 125.436 122.820 0.025 0.000 2.484 31 A HA -0.101 4.240 4.320 0.035 0.000 0.268 31 A C -1.560 176.047 177.584 0.037 0.000 1.114 31 A CA 0.629 52.688 52.037 0.036 0.000 0.780 31 A CB 0.775 19.804 19.000 0.048 0.000 1.061 31 A HN -0.359 7.807 8.150 0.026 0.000 0.505 32 D N 1.137 121.561 120.400 0.040 0.000 2.895 32 D HA 0.047 4.711 4.640 0.040 0.000 0.350 32 D C 0.315 176.650 176.300 0.057 0.000 1.389 32 D CA -1.267 52.758 54.000 0.041 0.000 0.812 32 D CB -0.089 40.728 40.800 0.030 0.000 1.164 32 D HN 0.092 8.486 8.370 0.041 0.000 0.455 33 G N -0.532 108.314 108.800 0.076 0.000 2.227 33 G HA2 -0.296 3.735 3.960 0.119 0.000 0.168 33 G HA3 -0.296 3.727 3.960 0.106 0.000 0.168 33 G C -0.767 174.219 174.900 0.144 0.000 1.006 33 G CA -0.231 44.935 45.100 0.110 0.000 0.684 33 G HN -0.049 8.285 8.290 0.072 0.000 0.489 34 T N 2.150 116.767 114.554 0.104 0.000 2.829 34 T HA -0.153 4.286 4.350 0.034 -0.068 0.293 34 T C -1.719 173.072 174.700 0.152 0.000 0.970 34 T CA -0.073 62.075 62.100 0.079 0.000 1.168 34 T CB 0.378 69.276 68.868 0.049 0.000 0.911 34 T HN -0.107 8.182 8.240 0.083 0.000 0.535 35 F N 6.764 126.718 119.950 0.005 0.000 2.467 35 F HA 0.579 5.135 4.527 0.049 0.000 0.336 35 F C -2.472 173.350 175.800 0.037 0.000 1.123 35 F CA -3.581 54.443 58.000 0.040 0.000 0.964 35 F CB 1.673 40.722 39.000 0.081 0.000 1.136 35 F HN -0.420 7.820 8.300 -0.101 0.000 0.447 36 L N -2.373 119.015 121.223 0.275 0.000 2.518 36 L HA 0.578 5.053 4.340 0.225 0.000 0.257 36 L C -2.404 174.613 176.870 0.244 0.000 0.980 36 L CA -0.981 53.992 54.840 0.223 0.000 0.837 36 L CB 3.921 46.086 42.059 0.176 0.000 1.410 36 L HN 0.522 8.810 8.230 0.274 0.106 0.410 37 V N 0.739 120.842 119.914 0.315 0.000 2.318 37 V HA 0.112 4.308 4.120 0.125 0.000 0.271 37 V C -1.183 174.939 176.094 0.047 0.000 1.030 37 V CA -0.044 62.373 62.300 0.196 0.000 0.844 37 V CB 0.130 32.094 31.823 0.236 0.000 1.015 37 V HN 0.610 9.077 8.190 0.461 0.000 0.460 38 R N 8.120 128.624 120.500 0.006 0.000 2.407 38 R HA 0.205 4.470 4.340 -0.125 0.000 0.303 38 R C -1.796 174.432 176.300 -0.121 0.000 0.981 38 R CA -1.785 54.271 56.100 -0.072 0.000 0.905 38 R CB 2.948 33.243 30.300 -0.009 0.000 1.099 38 R HN 0.251 8.546 8.270 0.041 0.000 0.459 39 D N 5.634 125.920 120.400 -0.190 0.000 2.417 39 D HA -0.069 4.650 4.640 -0.189 -0.193 0.250 39 D C -0.887 175.342 176.300 -0.120 0.000 1.166 39 D CA 1.164 55.059 54.000 -0.174 0.000 0.881 39 D CB 1.742 42.431 40.800 -0.185 0.000 1.164 39 D HN -0.182 8.042 8.370 -0.243 0.000 0.467 40 A N 6.125 128.862 122.820 -0.139 0.000 2.281 40 A HA 0.299 4.585 4.320 -0.056 0.000 0.329 40 A C -1.734 175.819 177.584 -0.052 0.000 1.122 40 A CA -0.889 51.093 52.037 -0.092 0.000 0.850 40 A CB 3.034 21.976 19.000 -0.098 0.000 1.207 40 A HN 0.253 8.290 8.150 -0.188 0.000 0.495 41 S N -1.314 114.395 115.700 0.014 0.000 2.750 41 S HA 0.221 4.877 4.470 0.089 -0.132 0.276 41 S C -1.454 173.160 174.600 0.023 0.000 1.165 41 S CA 0.153 58.401 58.200 0.080 0.000 1.047 41 S CB 0.453 63.752 63.200 0.165 0.000 1.056 41 S HN 0.108 8.413 8.310 -0.008 0.000 0.481 42 T N 7.600 122.158 114.554 0.007 0.000 3.661 42 T HA 0.016 4.366 4.350 -0.000 0.000 0.243 42 T C -0.030 174.667 174.700 -0.005 0.000 0.931 42 T CA 1.134 63.232 62.100 -0.005 0.000 1.115 42 T CB 0.594 69.453 68.868 -0.015 0.000 1.115 42 T HN -0.074 8.173 8.240 0.011 0.000 0.378 43 K N 4.306 124.698 120.400 -0.013 0.000 2.155 43 K HA 0.016 4.334 4.320 -0.004 0.000 0.240 43 K C -0.122 176.479 176.600 0.001 0.000 1.193 43 K CA -0.545 55.736 56.287 -0.009 0.000 1.104 43 K CB -0.775 31.715 32.500 -0.015 0.000 1.558 43 K HN 0.029 8.263 8.250 -0.026 0.000 0.313 44 M N 1.589 121.197 119.600 0.014 0.000 7.319 44 M HA -0.509 3.985 4.480 0.023 0.000 0.282 44 M C -1.925 174.428 176.300 0.088 0.000 0.480 44 M CA 2.252 57.573 55.300 0.035 0.000 1.311 44 M CB -0.762 31.856 32.600 0.030 0.000 0.421 44 M HN 0.053 8.296 8.290 0.008 0.052 0.424 45 H N 0.197 119.242 119.070 -0.043 0.000 2.727 45 H HA 0.394 4.918 4.556 -0.052 0.000 0.330 45 H C -0.302 174.979 175.328 -0.077 0.000 0.986 45 H CA -0.838 55.179 56.048 -0.051 0.000 1.251 45 H CB 1.765 31.505 29.762 -0.037 0.000 1.493 45 H HN -0.143 8.196 8.280 0.098 0.000 0.515 46 G N 7.675 116.329 108.800 -0.242 0.000 3.963 46 G HA2 0.296 4.053 3.960 -0.339 0.000 0.315 46 G HA3 0.296 4.110 3.960 -0.243 0.000 0.315 46 G C -0.625 174.035 174.900 -0.401 0.000 1.254 46 G CA -0.595 44.314 45.100 -0.318 0.000 1.395 46 G HN 0.425 8.484 8.290 -0.203 0.109 0.538 47 D N 2.662 122.788 120.400 -0.457 0.000 2.149 47 D HA -0.269 4.287 4.640 -0.407 -0.160 0.198 47 D C -0.408 175.838 176.300 -0.090 0.000 0.990 47 D CA 3.151 56.966 54.000 -0.309 0.000 0.839 47 D CB 0.433 41.123 40.800 -0.183 0.000 0.948 47 D HN -0.373 7.702 8.370 -0.492 0.000 0.460 48 Y N -6.014 114.219 120.300 -0.112 0.000 2.723 48 Y HA 0.397 4.934 4.550 -0.022 0.000 0.374 48 Y C -1.774 174.122 175.900 -0.006 0.000 1.062 48 Y CA -2.921 55.158 58.100 -0.035 0.000 1.321 48 Y CB -1.526 36.931 38.460 -0.006 0.000 1.405 48 Y HN -0.623 7.447 8.280 -0.350 0.000 0.583 49 T N 2.215 116.746 114.554 -0.038 0.000 2.909 49 T HA 0.187 4.558 4.350 0.035 0.000 0.286 49 T C -1.384 173.352 174.700 0.060 0.000 1.002 49 T CA -0.590 61.513 62.100 0.006 0.000 1.074 49 T CB 1.951 70.796 68.868 -0.039 0.000 0.984 49 T HN -0.612 7.595 8.240 -0.055 0.000 0.495 50 L N 6.614 127.885 121.223 0.080 0.000 2.343 50 L HA 0.296 4.687 4.340 0.086 0.000 0.275 50 L C -1.935 174.978 176.870 0.071 0.000 1.056 50 L CA -0.825 54.064 54.840 0.081 0.000 0.804 50 L CB 3.057 45.163 42.059 0.079 0.000 1.203 50 L HN 0.471 8.745 8.230 0.074 0.000 0.440 51 T N 6.741 121.351 114.554 0.094 0.000 2.840 51 T HA 0.303 4.694 4.350 0.068 0.000 0.287 51 T C -2.139 172.639 174.700 0.131 0.000 0.991 51 T CA -0.310 61.843 62.100 0.089 0.000 0.964 51 T CB 1.168 70.077 68.868 0.069 0.000 0.954 51 T HN 0.906 9.110 8.240 0.119 0.107 0.438 52 L N 4.979 126.274 121.223 0.120 0.000 2.325 52 L HA 0.976 5.584 4.340 0.166 -0.168 0.278 52 L C -1.707 175.219 176.870 0.093 0.000 1.023 52 L CA -1.932 52.992 54.840 0.139 0.000 0.811 52 L CB 1.760 43.920 42.059 0.168 0.000 1.249 52 L HN 0.292 8.573 8.230 0.085 0.000 0.431 53 R N -0.021 120.533 120.500 0.089 0.000 2.437 53 R HA 0.382 4.755 4.340 0.054 0.000 0.310 53 R C -1.212 175.124 176.300 0.060 0.000 0.955 53 R CA -3.044 53.095 56.100 0.064 0.000 0.851 53 R CB 2.104 32.439 30.300 0.059 0.000 1.161 53 R HN -0.135 8.198 8.270 0.104 0.000 0.446 54 K N 3.543 123.971 120.400 0.048 0.000 2.213 54 K HA 0.220 4.662 4.320 0.044 -0.095 0.270 54 K C 0.460 177.079 176.600 0.030 0.000 1.002 54 K CA -1.898 54.413 56.287 0.040 0.000 0.868 54 K CB 1.776 34.298 32.500 0.037 0.000 1.093 54 K HN -0.136 8.139 8.250 0.042 0.000 0.454 55 G N 7.390 116.207 108.800 0.028 0.000 2.734 55 G HA2 -0.158 3.816 3.960 0.023 0.000 0.287 55 G HA3 -0.158 3.814 3.960 0.020 0.000 0.287 55 G C -0.995 173.916 174.900 0.017 0.000 0.728 55 G CA 0.710 45.823 45.100 0.022 0.000 1.999 55 G HN 0.513 8.822 8.290 0.031 0.000 0.535 56 G N 4.846 113.656 108.800 0.016 0.000 2.313 56 G HA2 -0.196 3.770 3.960 0.010 0.000 0.098 56 G HA3 -0.196 3.771 3.960 0.011 0.000 0.098 56 G C -1.299 173.607 174.900 0.010 0.000 1.736 56 G CA 0.705 45.812 45.100 0.012 0.000 1.073 56 G HN 0.157 8.388 8.290 0.018 0.070 0.293 57 N N 4.668 123.374 118.700 0.010 0.000 2.521 57 N HA 0.114 4.857 4.740 0.005 0.000 0.236 57 N C -1.369 174.149 175.510 0.014 0.000 1.067 57 N CA -0.909 52.146 53.050 0.007 0.000 0.939 57 N CB -0.849 37.639 38.487 0.002 0.000 1.201 57 N HN 0.086 8.473 8.380 0.012 0.000 0.511 58 N N 2.911 121.620 118.700 0.015 0.000 2.439 58 N HA 0.014 4.771 4.740 0.028 0.000 0.249 58 N C -1.373 174.148 175.510 0.018 0.000 1.003 58 N CA 0.238 53.301 53.050 0.022 0.000 0.942 58 N CB 0.869 39.370 38.487 0.023 0.000 1.115 58 N HN 0.247 8.634 8.380 0.011 0.000 0.505 59 K N 5.683 126.096 120.400 0.022 0.000 2.651 59 K HA 0.155 4.481 4.320 0.010 0.000 0.259 59 K C -1.500 175.112 176.600 0.020 0.000 1.017 59 K CA -0.785 55.510 56.287 0.014 0.000 0.897 59 K CB 2.304 34.806 32.500 0.003 0.000 1.262 59 K HN -0.187 8.081 8.250 0.030 0.000 0.460 60 S N 5.329 121.041 115.700 0.019 0.000 2.598 60 S HA -0.149 4.343 4.470 0.037 0.000 0.256 60 S C -0.259 174.352 174.600 0.018 0.000 1.350 60 S CA 1.232 59.446 58.200 0.023 0.000 0.984 60 S CB 0.667 63.877 63.200 0.017 0.000 0.930 60 S HN 0.208 8.528 8.310 0.017 0.000 0.577 61 I N 0.129 120.715 120.570 0.026 0.000 2.611 61 I HA 0.174 4.356 4.170 0.020 0.000 0.287 61 I C -2.636 173.509 176.117 0.047 0.000 1.184 61 I CA -0.433 60.883 61.300 0.028 0.000 1.054 61 I CB 3.369 41.381 38.000 0.020 0.000 1.257 61 I HN 0.873 9.103 8.210 0.033 0.000 0.435 62 K N 9.002 129.434 120.400 0.053 0.000 2.355 62 K HA -0.121 4.242 4.320 0.072 0.000 0.270 62 K C -0.935 175.747 176.600 0.136 0.000 1.003 62 K CA 1.089 57.426 56.287 0.084 0.000 0.957 62 K CB 0.288 32.835 32.500 0.079 0.000 0.939 62 K HN 0.246 8.519 8.250 0.040 0.000 0.482 63 I N 2.061 122.754 120.570 0.204 0.000 5.440 63 I HA 0.207 4.503 4.170 0.210 0.000 0.231 63 I C 0.357 176.694 176.117 0.367 0.000 0.932 63 I CA -0.394 61.064 61.300 0.264 0.000 1.720 63 I CB 0.652 38.835 38.000 0.305 0.000 1.458 63 I HN 0.199 8.527 8.210 0.196 0.000 0.463 64 F N -3.476 116.648 119.950 0.289 0.000 2.169 64 F HA -0.314 4.477 4.527 0.439 0.000 0.472 64 F C -2.017 173.864 175.800 0.135 0.000 1.299 64 F CA 0.063 58.217 58.000 0.258 0.000 1.491 64 F CB -0.326 38.770 39.000 0.160 0.000 3.234 64 F HN 0.033 8.631 8.300 0.496 0.000 0.601 65 H N 9.468 128.491 119.070 -0.078 0.000 3.289 65 H HA -0.082 4.426 4.556 -0.080 0.000 0.248 65 H C 0.008 175.431 175.328 0.159 0.000 1.175 65 H CA 1.455 57.471 56.048 -0.055 0.000 1.496 65 H CB -0.554 29.064 29.762 -0.239 0.000 1.571 65 H HN 0.259 8.367 8.280 -0.287 0.000 0.495 66 R N 2.405 122.838 120.500 -0.112 0.000 3.184 66 R HA -0.438 3.907 4.340 -0.102 -0.066 0.257 66 R C -1.878 174.467 176.300 0.075 0.000 0.999 66 R CA 1.074 57.125 56.100 -0.082 0.000 0.670 66 R CB -2.709 27.466 30.300 -0.208 0.000 1.197 66 R HN -0.174 8.033 8.270 -0.104 0.000 0.419 67 D N -1.188 119.269 120.400 0.095 0.000 2.381 67 D HA 0.120 4.763 4.640 0.005 0.000 0.245 67 D C -1.111 175.180 176.300 -0.014 0.000 1.297 67 D CA -0.141 53.866 54.000 0.012 0.000 0.931 67 D CB 0.784 41.507 40.800 -0.128 0.000 1.334 67 D HN -0.179 8.264 8.370 0.120 0.000 0.535 68 G N 2.291 111.097 108.800 0.010 0.000 4.212 68 G HA2 -0.117 3.847 3.960 0.008 0.000 0.199 68 G HA3 -0.117 3.913 3.960 0.024 -0.056 0.199 68 G C -1.615 173.321 174.900 0.060 0.000 0.986 68 G CA 0.405 45.519 45.100 0.024 0.000 0.985 68 G HN -0.331 7.971 8.290 0.020 0.000 0.378 69 K N -1.444 119.011 120.400 0.092 0.000 4.766 69 K HA -0.354 4.118 4.320 0.162 -0.056 0.384 69 K C -2.284 174.392 176.600 0.126 0.000 1.097 69 K CA 0.397 56.753 56.287 0.116 0.000 1.147 69 K CB -1.216 31.325 32.500 0.068 0.000 1.603 69 K HN -0.297 8.105 8.250 0.080 -0.104 0.421 70 Y N 3.631 123.898 120.300 -0.054 0.000 2.445 70 Y HA 0.083 4.468 4.550 -0.274 0.000 0.332 70 Y C -1.754 173.829 175.900 -0.527 0.000 1.037 70 Y CA 0.207 58.163 58.100 -0.240 0.000 1.296 70 Y CB 0.942 39.279 38.460 -0.204 0.000 1.099 70 Y HN 0.010 8.437 8.280 0.245 0.000 0.496 71 G N 3.487 111.740 108.800 -0.911 0.000 2.337 71 G HA2 -0.144 3.018 3.960 -1.330 0.000 0.298 71 G HA3 -0.144 2.111 3.960 -2.842 0.000 0.298 71 G C -2.174 172.066 174.900 -1.100 0.000 1.335 71 G CA -0.124 44.043 45.100 -1.555 0.000 0.875 71 G HN -0.337 7.529 8.290 -0.707 0.000 0.579 72 F N 0.592 120.124 119.950 -0.697 0.000 2.604 72 F HA 0.027 4.437 4.527 -0.196 0.000 0.337 72 F C 0.166 176.013 175.800 0.079 0.000 1.294 72 F CA -0.060 57.824 58.000 -0.193 0.000 1.066 72 F CB -1.161 37.783 39.000 -0.094 0.000 1.391 72 F HN 0.327 8.086 8.300 -0.902 0.000 0.652 73 S N 5.523 121.330 115.700 0.180 0.000 3.158 73 S HA 0.209 5.097 4.470 0.403 -0.176 0.215 73 S C -0.616 174.071 174.600 0.145 0.000 1.359 73 S CA -0.066 58.279 58.200 0.242 0.000 0.974 73 S CB -0.162 63.144 63.200 0.177 0.000 1.336 73 S HN -0.032 8.290 8.310 0.020 0.000 0.488 74 D N 4.567 125.054 120.400 0.144 0.000 3.136 74 D HA 0.083 4.763 4.640 0.066 0.000 0.254 74 D C 0.590 176.928 176.300 0.063 0.000 1.563 74 D CA -0.026 54.024 54.000 0.084 0.000 1.225 74 D CB 0.840 41.684 40.800 0.073 0.000 1.079 74 D HN -0.285 8.205 8.370 0.199 0.000 0.314 75 S N 1.113 116.849 115.700 0.060 0.000 2.341 75 S HA -0.037 4.446 4.470 0.022 0.000 0.216 75 S C 0.627 175.237 174.600 0.017 0.000 1.034 75 S CA 1.127 59.346 58.200 0.032 0.000 0.964 75 S CB 0.424 63.638 63.200 0.023 0.000 0.882 75 S HN 0.078 8.434 8.310 0.078 0.000 0.469 76 L N 2.840 124.074 121.223 0.019 0.000 2.282 76 L HA 0.212 4.507 4.340 -0.075 0.000 0.287 76 L C -0.789 176.054 176.870 -0.045 0.000 1.075 76 L CA -0.676 54.130 54.840 -0.057 0.000 0.839 76 L CB -1.317 40.672 42.059 -0.116 0.000 1.219 76 L HN -0.106 8.160 8.230 0.060 0.000 0.434 77 T N 2.022 116.553 114.554 -0.037 0.000 2.869 77 T HA 0.034 4.497 4.350 0.189 0.000 0.295 77 T C -0.668 174.005 174.700 -0.045 0.000 0.987 77 T CA -0.607 61.521 62.100 0.047 0.000 1.109 77 T CB 0.988 69.883 68.868 0.045 0.000 0.932 77 T HN 0.190 8.403 8.240 -0.045 0.000 0.518 78 F N 4.017 123.964 119.950 -0.005 0.000 2.408 78 F HA 0.024 4.548 4.527 -0.005 0.000 0.344 78 F C -0.250 175.545 175.800 -0.008 0.000 1.112 78 F CA 0.118 58.114 58.000 -0.007 0.000 1.096 78 F CB 1.241 40.233 39.000 -0.014 0.000 1.129 78 F HN -0.393 8.148 8.300 0.401 0.000 0.486 79 N N 3.179 121.935 118.700 0.093 0.000 2.675 79 N HA 0.023 4.882 4.740 0.085 -0.068 0.254 79 N C -2.217 173.314 175.510 0.034 0.000 1.224 79 N CA 0.018 53.105 53.050 0.061 0.000 0.777 79 N CB 1.471 39.976 38.487 0.030 0.000 1.256 79 N HN 0.416 8.801 8.380 0.009 0.000 0.531 80 S N 1.918 117.656 115.700 0.065 0.000 2.750 80 S HA 0.296 4.754 4.470 -0.021 0.000 0.276 80 S C -0.250 174.367 174.600 0.029 0.000 1.165 80 S CA -1.181 57.033 58.200 0.024 0.000 1.047 80 S CB 3.009 66.227 63.200 0.030 0.000 1.056 80 S HN -0.528 7.894 8.310 0.123 -0.038 0.481 81 V N 5.899 125.828 119.914 0.026 0.000 2.380 81 V HA -0.306 3.823 4.120 0.016 0.000 0.251 81 V C 0.703 176.799 176.094 0.004 0.000 1.063 81 V CA 2.947 65.265 62.300 0.030 0.000 1.055 81 V CB 0.222 32.096 31.823 0.085 0.000 0.657 81 V HN 0.783 9.050 8.190 0.029 -0.059 0.455 82 V N -6.321 113.597 119.914 0.007 0.000 2.626 82 V HA -0.366 3.748 4.120 -0.010 0.000 0.252 82 V C 1.374 177.441 176.094 -0.045 0.000 1.067 82 V CA 2.972 65.270 62.300 -0.004 0.000 1.081 82 V CB -1.656 30.190 31.823 0.038 0.000 0.686 82 V HN -0.021 8.173 8.190 0.006 0.000 0.468 83 E N 1.140 121.319 120.200 -0.035 0.000 2.077 83 E HA -0.349 3.996 4.350 -0.009 0.000 0.193 83 E C 2.528 178.924 176.600 -0.340 0.000 0.989 83 E CA 2.932 59.305 56.400 -0.044 0.000 0.800 83 E CB -0.456 29.310 29.700 0.110 0.000 0.746 83 E HN -0.634 7.569 8.360 -0.010 0.151 0.452 84 L N -2.816 118.077 121.223 -0.551 0.000 2.043 84 L HA -0.311 2.713 4.340 -2.193 0.000 0.212 84 L C 1.627 178.151 176.870 -0.576 0.000 1.075 84 L CA 3.521 57.755 54.840 -1.009 0.000 0.752 84 L CB -0.616 41.066 42.059 -0.627 0.000 0.891 84 L HN -0.943 7.138 8.230 -0.248 0.000 0.432 85 I N -0.750 119.643 120.570 -0.294 0.000 2.193 85 I HA -0.587 3.494 4.170 -0.149 0.000 0.240 85 I C 2.230 178.296 176.117 -0.086 0.000 1.084 85 I CA 3.803 65.018 61.300 -0.143 0.000 1.365 85 I CB -0.541 37.415 38.000 -0.072 0.000 1.064 85 I HN -0.898 7.098 8.210 -0.239 0.071 0.410 86 N N -0.575 118.077 118.700 -0.080 0.000 2.094 86 N HA -0.386 4.363 4.740 0.014 0.000 0.191 86 N C 2.304 177.813 175.510 -0.002 0.000 1.023 86 N CA 3.021 56.068 53.050 -0.005 0.000 0.857 86 N CB -0.823 37.695 38.487 0.051 0.000 1.013 86 N HN 0.551 8.752 8.380 -0.095 0.122 0.426 87 H N 1.190 120.143 119.070 -0.195 0.000 2.321 87 H HA -0.353 4.103 4.556 -0.168 0.000 0.295 87 H C 1.392 176.541 175.328 -0.298 0.000 1.102 87 H CA 3.501 59.384 56.048 -0.276 0.000 1.266 87 H CB 0.176 29.667 29.762 -0.452 0.000 1.363 87 H HN -0.571 7.655 8.280 -0.090 0.000 0.492 88 Y N -4.970 115.274 120.300 -0.093 0.000 2.517 88 Y HA -0.057 4.438 4.550 -0.093 0.000 0.281 88 Y C 1.781 177.664 175.900 -0.028 0.000 1.125 88 Y CA 2.162 60.222 58.100 -0.066 0.000 1.283 88 Y CB 0.021 38.469 38.460 -0.021 0.000 1.042 88 Y HN -0.725 7.578 8.280 0.039 0.000 0.547 89 R N 0.884 121.441 120.500 0.095 0.000 2.189 89 R HA -0.297 4.107 4.340 0.106 0.000 0.223 89 R C 1.424 177.777 176.300 0.088 0.000 1.092 89 R CA 3.106 59.260 56.100 0.091 0.000 0.989 89 R CB -0.595 29.749 30.300 0.073 0.000 0.876 89 R HN 0.028 8.232 8.270 0.059 0.101 0.457 90 N N -3.124 115.590 118.700 0.024 0.000 2.519 90 N HA -0.357 4.402 4.740 0.032 0.000 0.186 90 N C -0.637 174.859 175.510 -0.022 0.000 1.062 90 N CA 2.753 55.795 53.050 -0.014 0.000 0.910 90 N CB 0.288 38.719 38.487 -0.093 0.000 0.958 90 N HN -0.099 8.254 8.380 -0.007 0.022 0.445 91 E N -5.136 115.065 120.200 0.003 0.000 3.550 91 E HA 0.113 4.475 4.350 0.020 0.000 0.239 91 E C -1.638 175.006 176.600 0.073 0.000 1.244 91 E CA 0.011 56.424 56.400 0.022 0.000 1.475 91 E CB 1.395 31.083 29.700 -0.019 0.000 2.582 91 E HN -0.582 7.608 8.360 0.027 0.187 0.716 92 S N -1.367 114.408 115.700 0.125 0.000 2.680 92 S HA 0.217 4.868 4.470 0.096 -0.124 0.262 92 S C -0.195 174.502 174.600 0.162 0.000 1.138 92 S CA -0.515 57.758 58.200 0.122 0.000 1.072 92 S CB 1.829 65.085 63.200 0.093 0.000 1.097 92 S HN -0.419 7.982 8.310 0.152 0.000 0.468 93 L N 6.287 127.585 121.223 0.125 0.000 2.353 93 L HA -0.347 4.062 4.340 0.114 0.000 0.220 93 L C 1.240 178.103 176.870 -0.012 0.000 1.133 93 L CA 2.499 57.391 54.840 0.087 0.000 0.798 93 L CB -0.482 41.632 42.059 0.092 0.000 0.922 93 L HN -0.246 8.055 8.230 0.119 0.000 0.445 94 A N -3.030 119.787 122.820 -0.004 0.000 2.019 94 A HA -0.302 4.085 4.320 -0.071 -0.110 0.219 94 A C 1.400 178.963 177.584 -0.034 0.000 1.164 94 A CA 2.242 54.259 52.037 -0.034 0.000 0.644 94 A CB -0.565 18.430 19.000 -0.009 0.000 0.805 94 A HN -0.067 8.044 8.150 0.031 0.057 0.449 95 Q N -3.241 116.567 119.800 0.013 0.000 2.369 95 Q HA -0.236 4.124 4.340 0.034 0.000 0.206 95 Q C 1.349 177.292 176.000 -0.095 0.000 0.963 95 Q CA 1.552 57.381 55.803 0.043 0.000 0.894 95 Q CB -0.176 28.663 28.738 0.168 0.000 0.965 95 Q HN -0.492 7.641 8.270 0.043 0.163 0.475 96 Y N -0.892 119.038 120.300 -0.616 0.000 2.084 96 Y HA -0.264 3.538 4.550 -1.246 0.000 0.279 96 Y C 0.616 176.291 175.900 -0.374 0.000 1.119 96 Y CA 1.261 58.804 58.100 -0.928 0.000 1.101 96 Y CB 0.537 38.333 38.460 -1.107 0.000 0.989 96 Y HN -0.662 7.312 8.280 -0.210 0.180 0.484 97 N N -5.598 112.845 118.700 -0.429 0.000 2.509 97 N HA 0.011 4.600 4.740 -0.253 0.000 0.288 97 N C -2.717 172.585 175.510 -0.347 0.000 0.940 97 N CA 0.724 53.521 53.050 -0.422 0.000 1.566 97 N CB -0.297 37.864 38.487 -0.543 0.000 2.164 97 N HN -0.408 7.766 8.380 -0.345 0.000 1.294 98 P HA -0.060 4.247 4.420 -0.188 0.000 0.261 98 P C -0.855 176.371 177.300 -0.124 0.000 1.203 98 P CA 0.121 63.090 63.100 -0.219 0.000 0.767 98 P CB -0.086 31.494 31.700 -0.200 0.000 0.785 99 K N 6.128 126.475 120.400 -0.088 0.000 2.199 99 K HA -0.033 4.258 4.320 -0.048 0.000 0.226 99 K C -0.714 175.870 176.600 -0.027 0.000 1.237 99 K CA -0.508 55.748 56.287 -0.051 0.000 1.170 99 K CB -1.741 30.732 32.500 -0.045 0.000 1.418 99 K HN 0.393 8.584 8.250 -0.099 0.000 0.255 100 L N 1.569 122.782 121.223 -0.016 0.000 2.347 100 L HA 0.019 4.364 4.340 0.008 0.000 0.196 100 L C 0.224 177.106 176.870 0.019 0.000 1.072 100 L CA 0.066 54.911 54.840 0.008 0.000 0.817 100 L CB 0.901 42.972 42.059 0.020 0.000 1.029 100 L HN 0.307 8.426 8.230 -0.029 0.093 0.478 101 D N -2.089 118.325 120.400 0.024 0.000 2.828 101 D HA -0.301 4.364 4.640 0.042 0.000 0.241 101 D C -1.842 174.486 176.300 0.046 0.000 1.142 101 D CA 1.412 55.433 54.000 0.035 0.000 0.755 101 D CB -0.594 40.221 40.800 0.024 0.000 1.014 101 D HN 0.024 8.479 8.370 0.014 -0.076 0.420 102 V N -9.179 110.772 119.914 0.061 0.000 2.971 102 V HA 0.358 4.516 4.120 0.063 0.000 0.309 102 V C -2.694 173.453 176.094 0.087 0.000 1.130 102 V CA -2.573 59.770 62.300 0.072 0.000 0.964 102 V CB 3.428 35.298 31.823 0.079 0.000 1.029 102 V HN -0.536 7.693 8.190 0.065 0.000 0.427 103 K N 2.482 122.935 120.400 0.087 0.000 2.168 103 K HA 0.249 4.787 4.320 0.104 -0.157 0.239 103 K C -0.239 176.447 176.600 0.143 0.000 0.999 103 K CA -2.069 54.278 56.287 0.101 0.000 0.900 103 K CB 2.256 34.800 32.500 0.073 0.000 1.111 103 K HN 0.075 8.372 8.250 0.078 0.000 0.452 104 L N 4.312 125.645 121.223 0.183 0.000 2.654 104 L HA -0.157 4.381 4.340 0.329 0.000 0.271 104 L C -0.927 176.007 176.870 0.106 0.000 1.169 104 L CA 1.518 56.492 54.840 0.223 0.000 0.947 104 L CB -1.297 40.936 42.059 0.290 0.000 1.232 104 L HN 0.206 8.534 8.230 0.164 0.000 0.486 105 L N 8.866 130.136 121.223 0.078 0.000 2.228 105 L HA -0.010 4.362 4.340 0.053 0.000 0.196 105 L C -1.170 175.724 176.870 0.040 0.000 1.162 105 L CA 0.840 55.712 54.840 0.052 0.000 0.801 105 L CB 0.314 42.407 42.059 0.057 0.000 0.983 105 L HN 0.100 8.400 8.230 0.117 0.000 0.471 106 Y N -4.612 115.569 120.300 -0.198 0.000 2.436 106 Y HA 0.278 4.603 4.550 -0.376 0.000 0.327 106 Y C -2.802 172.831 175.900 -0.445 0.000 1.138 106 Y CA -3.169 54.740 58.100 -0.318 0.000 1.042 106 Y CB 2.431 40.756 38.460 -0.224 0.000 1.302 106 Y HN -0.695 7.585 8.280 0.000 0.000 0.439 107 P HA 0.299 4.494 4.420 -0.614 -0.143 0.285 107 P C -1.157 175.813 177.300 -0.551 0.000 1.259 107 P CA -0.673 61.863 63.100 -0.939 0.000 0.794 107 P CB 1.384 31.956 31.700 -1.880 0.000 0.940 108 V N 4.922 124.711 119.914 -0.208 0.000 2.287 108 V HA -0.109 3.990 4.120 -0.036 0.000 0.246 108 V C -0.620 175.416 176.094 -0.096 0.000 1.165 108 V CA -0.135 62.132 62.300 -0.055 0.000 1.088 108 V CB -1.103 30.764 31.823 0.073 0.000 1.242 108 V HN 0.293 8.392 8.190 -0.153 0.000 0.497 109 S N 6.979 122.541 115.700 -0.231 0.000 2.400 109 S HA 0.016 4.316 4.470 -0.282 0.000 0.295 109 S C 0.324 174.635 174.600 -0.481 0.000 1.113 109 S CA -0.921 57.094 58.200 -0.308 0.000 1.064 109 S CB 0.357 63.415 63.200 -0.237 0.000 0.990 109 S HN -0.218 7.900 8.310 -0.257 0.039 0.502 110 K N 4.324 124.069 120.400 -1.092 0.000 3.117 110 K HA -0.443 2.038 4.320 -3.064 0.000 0.269 110 K C -1.043 175.262 176.600 -0.492 0.000 1.098 110 K CA 0.975 56.459 56.287 -1.337 0.000 0.785 110 K CB -1.347 30.709 32.500 -0.741 0.000 1.242 110 K HN 0.614 7.965 8.250 -1.497 0.000 0.491 111 Y N 0.000 120.148 120.300 -0.254 0.000 2.660 111 Y HA 0.000 4.636 4.550 0.144 0.000 0.201 111 Y CA 0.000 58.140 58.100 0.066 0.000 1.940 111 Y CB 0.000 38.610 38.460 0.249 0.000 1.050 111 Y HN 0.000 8.201 8.280 -0.132 0.000 0.758