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 2kxv_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMKNVLVGLG WDARSTDGQD FDLDASAFLL AANGKVRGDA DFIFYNNLKS DATA SEQUENCE ADGSVTHTGD NRTGEGDGDD ESLKIKLDAV PGDVDKIIFV VTIHDAQARR DATA SEQUENCE QSFGQVSGAF IRLVNDDNQT EVARYDLTED ASTETAMLFG ELYRHNGEWK DATA SEQUENCE FRAVGQGYAG GLASVCAQYG INAS 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 S HA 0.000 4.539 4.470 0.116 0.000 0.327 1 S C 0.000 174.678 174.600 0.130 0.000 1.055 1 S CA 0.000 58.273 58.200 0.122 0.000 1.107 1 S CB 0.000 63.249 63.200 0.082 0.000 0.593 2 M N 3.748 123.430 119.600 0.137 0.000 2.501 2 M HA -0.174 4.344 4.480 0.064 0.000 0.363 2 M C 0.355 176.710 176.300 0.092 0.000 1.708 2 M CA 1.129 56.483 55.300 0.091 0.000 1.078 2 M CB 0.036 32.680 32.600 0.073 0.000 2.107 2 M HN 0.078 8.462 8.290 0.157 0.000 0.466 3 K N 1.407 121.847 120.400 0.067 0.000 2.243 3 K HA -0.110 4.271 4.320 0.101 0.000 0.201 3 K C -0.476 176.139 176.600 0.025 0.000 1.051 3 K CA 1.023 57.349 56.287 0.064 0.000 0.970 3 K CB 0.906 33.438 32.500 0.053 0.000 0.755 3 K HN 0.245 8.651 8.250 0.053 -0.125 0.465 4 N N -3.369 115.335 118.700 0.006 0.000 2.425 4 N HA 0.210 4.935 4.740 -0.024 0.000 0.289 4 N C -2.468 173.023 175.510 -0.033 0.000 1.074 4 N CA -0.732 52.309 53.050 -0.016 0.000 0.905 4 N CB 3.025 41.507 38.487 -0.008 0.000 1.586 4 N HN -0.693 7.669 8.380 0.011 0.025 0.490 5 V N 3.196 123.081 119.914 -0.049 0.000 2.815 5 V HA 0.402 4.585 4.120 -0.086 -0.114 0.314 5 V C -2.187 173.857 176.094 -0.083 0.000 1.064 5 V CA -1.536 60.717 62.300 -0.079 0.000 0.952 5 V CB 3.799 35.570 31.823 -0.087 0.000 1.020 5 V HN 0.552 8.714 8.190 -0.046 0.000 0.439 6 L N 4.919 126.068 121.223 -0.123 0.000 2.555 6 L HA 0.696 5.201 4.340 -0.083 -0.215 0.264 6 L C -2.098 174.671 176.870 -0.169 0.000 0.972 6 L CA -1.038 53.736 54.840 -0.109 0.000 0.876 6 L CB 3.802 45.820 42.059 -0.069 0.000 1.216 6 L HN 0.217 8.356 8.230 -0.152 0.000 0.415 7 V N 6.473 126.263 119.914 -0.207 0.000 2.785 7 V HA 0.559 4.605 4.120 -0.335 -0.126 0.300 7 V C -1.558 174.437 176.094 -0.166 0.000 1.062 7 V CA -1.811 60.325 62.300 -0.273 0.000 1.029 7 V CB 2.982 34.601 31.823 -0.341 0.000 1.024 7 V HN 0.256 8.345 8.190 -0.167 0.000 0.477 8 G N 5.910 114.603 108.800 -0.179 0.000 2.744 8 G HA2 0.396 4.494 3.960 -0.066 0.000 0.286 8 G HA3 0.396 4.316 3.960 -0.066 0.000 0.286 8 G C -3.195 171.612 174.900 -0.155 0.000 1.497 8 G CA -0.475 44.563 45.100 -0.104 0.000 1.070 8 G HN 0.770 8.807 8.290 -0.257 0.099 0.539 9 L N 5.217 126.365 121.223 -0.125 0.000 2.317 9 L HA 0.763 5.032 4.340 -0.341 -0.134 0.281 9 L C -1.884 174.836 176.870 -0.250 0.000 1.024 9 L CA -1.787 52.943 54.840 -0.183 0.000 0.810 9 L CB 3.606 45.685 42.059 0.033 0.000 1.240 9 L HN 0.533 8.621 8.230 -0.047 0.114 0.427 10 G N 2.802 111.173 108.800 -0.714 0.000 2.696 10 G HA2 0.690 4.630 3.960 -0.390 0.000 0.295 10 G HA3 0.690 4.207 3.960 -0.738 0.000 0.295 10 G C -3.278 171.478 174.900 -0.241 0.000 1.398 10 G CA 0.026 44.756 45.100 -0.616 0.000 0.920 10 G HN 0.531 8.152 8.290 -1.115 0.000 0.492 11 W N -1.759 119.509 121.300 -0.054 0.000 3.153 11 W HA 0.497 5.293 4.660 0.227 0.000 0.316 11 W C -2.605 174.012 176.519 0.164 0.000 1.255 11 W CA -1.025 56.386 57.345 0.111 0.000 1.192 11 W CB 1.655 31.155 29.460 0.066 0.000 1.400 11 W HN 0.130 8.213 8.180 -0.571 -0.245 0.568 12 D N 1.597 122.198 120.400 0.334 0.000 2.312 12 D HA 0.056 4.737 4.640 0.069 0.000 0.252 12 D C -0.748 175.780 176.300 0.380 0.000 1.150 12 D CA 0.819 54.950 54.000 0.217 0.000 0.870 12 D CB 1.229 42.158 40.800 0.215 0.000 1.153 12 D HN 0.039 8.669 8.370 0.434 0.000 0.457 13 A N 2.441 125.393 122.820 0.220 0.000 2.293 13 A HA 0.163 4.836 4.320 0.587 0.000 0.302 13 A C -0.827 176.874 177.584 0.195 0.000 1.119 13 A CA -0.298 51.920 52.037 0.303 0.000 0.823 13 A CB 1.767 20.846 19.000 0.132 0.000 1.097 13 A HN 0.123 8.309 8.150 0.061 0.000 0.491 14 R N 1.420 121.965 120.500 0.074 0.000 2.468 14 R HA 0.083 4.459 4.340 0.059 0.000 0.302 14 R C -1.059 175.155 176.300 -0.143 0.000 1.041 14 R CA -0.539 55.566 56.100 0.009 0.000 0.899 14 R CB 1.632 32.023 30.300 0.152 0.000 1.167 14 R HN 0.162 8.383 8.270 -0.082 0.000 0.483 15 S N 7.050 122.707 115.700 -0.071 0.000 2.399 15 S HA 0.225 4.925 4.470 -0.127 -0.307 0.301 15 S C 0.355 174.922 174.600 -0.054 0.000 1.093 15 S CA -0.628 57.524 58.200 -0.081 0.000 1.077 15 S CB -0.042 63.130 63.200 -0.047 0.000 0.980 15 S HN 0.626 8.921 8.310 -0.026 0.000 0.494 16 T N 8.744 123.258 114.554 -0.066 0.000 2.814 16 T HA -0.093 4.248 4.350 -0.014 0.000 0.254 16 T C 0.029 174.714 174.700 -0.024 0.000 1.037 16 T CA 2.459 64.541 62.100 -0.031 0.000 1.143 16 T CB 0.574 69.427 68.868 -0.025 0.000 0.866 16 T HN 0.380 8.557 8.240 -0.105 0.000 0.431 17 D N -3.231 117.150 120.400 -0.032 0.000 2.682 17 D HA 0.068 4.698 4.640 -0.018 0.000 0.291 17 D C -0.134 176.150 176.300 -0.026 0.000 1.585 17 D CA 0.188 54.175 54.000 -0.022 0.000 0.845 17 D CB 0.214 41.006 40.800 -0.014 0.000 1.323 17 D HN -0.336 8.007 8.370 -0.046 0.000 0.438 18 G N -1.818 106.959 108.800 -0.038 0.000 3.110 18 G HA2 -0.251 3.690 3.960 -0.032 0.000 0.205 18 G HA3 -0.251 3.693 3.960 -0.026 0.000 0.205 18 G C -0.958 173.912 174.900 -0.050 0.000 1.019 18 G CA -0.172 44.907 45.100 -0.035 0.000 0.826 18 G HN -0.013 8.247 8.290 -0.050 0.000 0.481 19 Q N 1.175 120.935 119.800 -0.068 0.000 2.306 19 Q HA 0.106 4.407 4.340 -0.065 0.000 0.241 19 Q C -1.470 174.413 176.000 -0.195 0.000 0.948 19 Q CA -0.039 55.706 55.803 -0.097 0.000 0.886 19 Q CB 0.893 29.581 28.738 -0.083 0.000 1.227 19 Q HN -0.100 8.133 8.270 -0.061 0.000 0.457 20 D N -2.344 117.915 120.400 -0.234 0.000 2.665 20 D HA 0.386 4.746 4.640 -0.722 -0.154 0.287 20 D C -0.783 175.303 176.300 -0.356 0.000 1.266 20 D CA -0.665 53.088 54.000 -0.412 0.000 0.830 20 D CB 3.709 44.417 40.800 -0.153 0.000 1.356 20 D HN -0.029 8.258 8.370 -0.140 0.000 0.437 21 F N -1.338 118.706 119.950 0.158 0.000 2.408 21 F HA 0.220 4.768 4.527 0.035 0.000 0.344 21 F C -0.775 175.107 175.800 0.136 0.000 1.112 21 F CA -0.650 57.407 58.000 0.096 0.000 1.096 21 F CB 1.180 40.216 39.000 0.060 0.000 1.129 21 F HN 0.214 8.276 8.300 -0.398 0.000 0.486 22 D N 3.173 123.672 120.400 0.164 0.000 2.386 22 D HA 0.097 4.904 4.640 0.279 0.000 0.247 22 D C -1.684 174.528 176.300 -0.147 0.000 1.336 22 D CA -0.839 53.215 54.000 0.091 0.000 0.976 22 D CB 1.786 42.670 40.800 0.139 0.000 1.257 22 D HN 0.160 8.623 8.370 0.155 0.000 0.570 23 L N 3.678 124.565 121.223 -0.561 0.000 2.456 23 L HA 0.089 4.311 4.340 -0.198 0.000 0.257 23 L C -0.009 176.787 176.870 -0.123 0.000 1.162 23 L CA 0.203 54.816 54.840 -0.379 0.000 0.808 23 L CB 1.441 43.139 42.059 -0.602 0.000 1.136 23 L HN 0.229 7.733 8.230 -1.211 0.000 0.466 24 D N 0.266 120.681 120.400 0.024 0.000 2.649 24 D HA 0.397 5.511 4.640 0.065 -0.434 0.249 24 D C -1.484 174.936 176.300 0.200 0.000 1.112 24 D CA -1.181 52.887 54.000 0.114 0.000 0.850 24 D CB 3.357 44.280 40.800 0.206 0.000 1.399 24 D HN 0.181 8.581 8.370 0.051 0.000 0.503 25 A N 4.233 127.183 122.820 0.216 0.000 2.303 25 A HA 0.794 5.408 4.320 0.227 -0.158 0.317 25 A C -1.140 176.592 177.584 0.247 0.000 1.149 25 A CA -1.721 50.450 52.037 0.223 0.000 0.822 25 A CB 2.474 21.571 19.000 0.162 0.000 1.131 25 A HN 0.259 8.698 8.150 0.212 -0.162 0.493 26 S N 0.683 116.519 115.700 0.227 0.000 2.638 26 S HA 0.370 4.955 4.470 0.192 0.000 0.274 26 S C -2.294 172.265 174.600 -0.068 0.000 1.157 26 S CA -1.118 57.176 58.200 0.156 0.000 0.826 26 S CB 2.074 65.414 63.200 0.233 0.000 1.139 26 S HN 0.472 8.927 8.310 0.241 0.000 0.474 27 A N 1.050 123.676 122.820 -0.323 0.000 2.402 27 A HA 0.746 5.022 4.320 -0.368 -0.177 0.291 27 A C -2.249 175.006 177.584 -0.549 0.000 1.051 27 A CA -0.933 50.839 52.037 -0.442 0.000 0.716 27 A CB 2.930 21.648 19.000 -0.469 0.000 1.223 27 A HN 0.047 8.024 8.150 -0.288 0.000 0.425 28 F N 2.146 121.999 119.950 -0.161 0.000 2.436 28 F HA 0.270 4.828 4.527 0.052 0.000 0.340 28 F C -0.786 174.898 175.800 -0.194 0.000 1.113 28 F CA -0.761 57.165 58.000 -0.124 0.000 1.022 28 F CB 2.152 41.009 39.000 -0.238 0.000 1.128 28 F HN -0.096 8.161 8.300 -0.071 0.000 0.466 29 L N 1.674 122.932 121.223 0.058 0.000 2.436 29 L HA -0.016 4.297 4.340 -0.046 0.000 0.265 29 L C -1.152 175.729 176.870 0.018 0.000 1.168 29 L CA -0.078 54.767 54.840 0.007 0.000 0.815 29 L CB 0.774 42.852 42.059 0.032 0.000 1.109 29 L HN 0.455 8.763 8.230 0.129 0.000 0.462 30 L N 0.330 121.562 121.223 0.014 0.000 2.516 30 L HA 0.244 4.607 4.340 0.039 0.000 0.267 30 L C -2.160 174.746 176.870 0.060 0.000 0.957 30 L CA -1.049 53.806 54.840 0.025 0.000 0.860 30 L CB 4.304 46.349 42.059 -0.024 0.000 1.265 30 L HN 0.377 8.622 8.230 0.024 0.000 0.403 31 A N 3.199 126.055 122.820 0.061 0.000 2.296 31 A HA 0.182 4.549 4.320 0.078 0.000 0.264 31 A C 0.452 178.075 177.584 0.064 0.000 1.097 31 A CA -0.425 51.651 52.037 0.065 0.000 0.811 31 A CB 1.211 20.242 19.000 0.053 0.000 1.072 31 A HN -0.249 7.935 8.150 0.057 0.000 0.495 32 A N -2.599 120.257 122.820 0.061 0.000 2.238 32 A HA -0.038 4.319 4.320 0.063 0.000 0.208 32 A C 0.485 178.092 177.584 0.039 0.000 1.177 32 A CA 1.606 53.676 52.037 0.055 0.000 0.804 32 A CB -0.697 18.334 19.000 0.051 0.000 0.823 32 A HN 0.642 8.827 8.150 0.059 0.000 0.482 33 N N -2.619 116.102 118.700 0.036 0.000 2.550 33 N HA -0.147 4.607 4.740 0.023 0.000 0.186 33 N C 0.659 176.185 175.510 0.026 0.000 1.110 33 N CA 0.349 53.415 53.050 0.027 0.000 0.912 33 N CB 0.229 38.732 38.487 0.026 0.000 0.968 33 N HN -0.147 8.183 8.380 0.040 0.074 0.448 34 G N -3.095 105.723 108.800 0.031 0.000 2.179 34 G HA2 -0.268 3.710 3.960 0.031 0.000 0.220 34 G HA3 -0.268 3.705 3.960 0.022 0.000 0.220 34 G C -1.542 173.381 174.900 0.038 0.000 0.990 34 G CA 0.079 45.197 45.100 0.030 0.000 0.646 34 G HN -0.566 7.678 8.290 0.037 0.069 0.517 35 K N -1.513 118.912 120.400 0.040 0.000 2.525 35 K HA 0.281 4.788 4.320 0.057 -0.153 0.254 35 K C -1.489 175.143 176.600 0.052 0.000 0.934 35 K CA -1.797 54.517 56.287 0.046 0.000 0.802 35 K CB 3.346 35.865 32.500 0.032 0.000 1.295 35 K HN -0.718 7.487 8.250 0.038 0.068 0.433 36 V N 3.031 122.984 119.914 0.065 0.000 2.740 36 V HA -0.158 4.097 4.120 0.061 -0.099 0.303 36 V C 0.468 176.597 176.094 0.058 0.000 1.054 36 V CA -0.347 61.993 62.300 0.067 0.000 1.106 36 V CB 1.721 33.598 31.823 0.089 0.000 0.957 36 V HN 0.151 8.387 8.190 0.078 0.000 0.486 37 R N 4.213 124.746 120.500 0.055 0.000 2.357 37 R HA -0.068 4.296 4.340 0.040 0.000 0.202 37 R C -0.544 175.786 176.300 0.051 0.000 1.047 37 R CA 0.504 56.632 56.100 0.046 0.000 1.034 37 R CB -0.312 30.014 30.300 0.043 0.000 0.875 37 R HN 0.467 8.772 8.270 0.057 0.000 0.473 38 G N 0.494 109.333 108.800 0.065 0.000 1.968 38 G HA2 -0.101 3.898 3.960 0.064 0.000 0.183 38 G HA3 -0.101 3.966 3.960 0.068 -0.066 0.183 38 G C -0.507 174.464 174.900 0.117 0.000 1.665 38 G CA -0.514 44.631 45.100 0.075 0.000 1.015 38 G HN -0.537 7.649 8.290 0.071 0.148 0.624 39 D N 4.666 125.142 120.400 0.126 0.000 2.158 39 D HA -0.418 4.365 4.640 0.239 0.000 0.197 39 D C 1.318 177.803 176.300 0.309 0.000 0.995 39 D CA 2.290 56.409 54.000 0.199 0.000 0.846 39 D CB -0.406 40.462 40.800 0.113 0.000 0.941 39 D HN 0.406 8.831 8.370 0.091 0.000 0.456 40 A N -2.801 120.165 122.820 0.244 0.000 2.272 40 A HA -0.236 4.400 4.320 0.526 0.000 0.213 40 A C -0.082 177.669 177.584 0.279 0.000 1.183 40 A CA 1.536 53.772 52.037 0.331 0.000 0.719 40 A CB -0.553 18.547 19.000 0.167 0.000 0.771 40 A HN -0.187 8.040 8.150 0.156 0.017 0.484 41 D N -2.643 117.891 120.400 0.224 0.000 2.434 41 D HA 0.094 4.742 4.640 0.014 0.000 0.232 41 D C -0.595 175.752 176.300 0.078 0.000 1.166 41 D CA -0.265 53.789 54.000 0.089 0.000 0.830 41 D CB -0.756 40.085 40.800 0.069 0.000 0.960 41 D HN -0.078 8.195 8.370 0.235 0.238 0.497 42 F N -2.307 117.612 119.950 -0.053 0.000 2.385 42 F HA 0.233 4.723 4.527 -0.201 -0.084 0.336 42 F C -0.906 174.805 175.800 -0.148 0.000 1.100 42 F CA -1.829 56.062 58.000 -0.182 0.000 1.116 42 F CB 1.249 40.033 39.000 -0.360 0.000 1.166 42 F HN -0.789 7.729 8.300 0.555 0.115 0.511 43 I N 0.974 121.367 120.570 -0.295 0.000 2.575 43 I HA -0.079 3.891 4.170 -0.333 0.000 0.285 43 I C -1.543 174.503 176.117 -0.118 0.000 1.085 43 I CA -0.645 60.497 61.300 -0.263 0.000 1.403 43 I CB -0.877 37.047 38.000 -0.127 0.000 1.409 43 I HN -0.291 7.813 8.210 -0.177 0.000 0.557 44 F N 5.480 125.207 119.950 -0.371 0.000 3.129 44 F HA 0.268 4.825 4.527 0.050 0.000 0.326 44 F C -0.476 175.247 175.800 -0.128 0.000 1.202 44 F CA -1.290 56.600 58.000 -0.184 0.000 0.929 44 F CB 3.659 42.455 39.000 -0.340 0.000 1.473 44 F HN 0.007 8.194 8.300 -0.189 0.000 0.512 45 Y N -1.042 119.078 120.300 -0.300 0.000 2.497 45 Y HA -0.166 4.232 4.550 -0.253 0.000 0.292 45 Y C -0.929 174.941 175.900 -0.050 0.000 1.137 45 Y CA 1.623 59.590 58.100 -0.220 0.000 1.285 45 Y CB -0.656 37.636 38.460 -0.279 0.000 0.991 45 Y HN 0.101 7.885 8.280 -0.826 0.000 0.556 46 N N -2.979 115.337 118.700 -0.640 0.000 2.449 46 N HA -0.129 4.502 4.740 -0.181 0.000 0.191 46 N C -0.721 174.678 175.510 -0.185 0.000 1.161 46 N CA 0.269 53.089 53.050 -0.382 0.000 0.863 46 N CB -0.740 37.469 38.487 -0.464 0.000 0.980 46 N HN -0.240 7.632 8.380 -0.767 0.047 0.458 47 N N -1.011 117.602 118.700 -0.146 0.000 2.594 47 N HA 0.163 4.854 4.740 -0.082 0.000 0.280 47 N C -1.268 174.212 175.510 -0.050 0.000 1.156 47 N CA -0.302 52.688 53.050 -0.101 0.000 0.831 47 N CB 1.711 40.111 38.487 -0.145 0.000 1.379 47 N HN -0.425 7.665 8.380 -0.145 0.203 0.536 48 L N 3.042 124.249 121.223 -0.028 0.000 2.081 48 L HA -0.297 4.038 4.340 -0.009 0.000 0.212 48 L C -1.194 175.678 176.870 0.004 0.000 1.080 48 L CA 2.367 57.201 54.840 -0.010 0.000 0.754 48 L CB 0.499 42.553 42.059 -0.009 0.000 0.893 48 L HN 0.209 8.422 8.230 -0.029 0.000 0.433 49 K N -8.955 111.439 120.400 -0.011 0.000 2.625 49 K HA 0.047 4.406 4.320 0.001 -0.039 0.284 49 K C -1.689 174.895 176.600 -0.026 0.000 0.984 49 K CA -1.477 54.805 56.287 -0.008 0.000 0.865 49 K CB 1.690 34.191 32.500 0.001 0.000 1.468 49 K HN -0.814 7.411 8.250 -0.023 0.010 0.407 50 S N 0.596 116.278 115.700 -0.030 0.000 2.564 50 S HA -0.055 4.387 4.470 -0.046 0.000 0.278 50 S C 0.621 175.208 174.600 -0.021 0.000 1.333 50 S CA -0.577 57.602 58.200 -0.035 0.000 1.048 50 S CB 1.132 64.310 63.200 -0.036 0.000 0.900 50 S HN 0.284 8.463 8.310 -0.025 0.115 0.505 51 A N 6.679 129.487 122.820 -0.020 0.000 1.898 51 A HA 0.019 4.334 4.320 -0.009 0.000 0.214 51 A C 0.717 178.299 177.584 -0.003 0.000 1.183 51 A CA 2.090 54.121 52.037 -0.011 0.000 0.622 51 A CB 0.008 19.002 19.000 -0.011 0.000 0.824 51 A HN 0.535 8.670 8.150 -0.026 0.000 0.444 52 D N -4.215 116.184 120.400 -0.002 0.000 2.474 52 D HA 0.153 4.799 4.640 0.010 0.000 0.213 52 D C 0.844 177.150 176.300 0.010 0.000 1.120 52 D CA -0.062 53.943 54.000 0.008 0.000 0.836 52 D CB 1.109 41.916 40.800 0.012 0.000 1.019 52 D HN -0.120 8.246 8.370 -0.007 0.000 0.507 53 G N -1.275 107.524 108.800 -0.001 0.000 2.813 53 G HA2 -0.050 3.914 3.960 0.007 0.000 0.209 53 G HA3 -0.050 3.898 3.960 -0.020 0.000 0.209 53 G C 0.029 174.923 174.900 -0.009 0.000 1.150 53 G CA 0.202 45.298 45.100 -0.006 0.000 0.785 53 G HN -0.466 7.819 8.290 -0.009 0.000 0.535 54 S N -2.684 113.013 115.700 -0.005 0.000 3.358 54 S HA -0.348 4.122 4.470 -0.000 0.000 0.309 54 S C -0.999 173.594 174.600 -0.012 0.000 1.247 54 S CA 0.828 59.025 58.200 -0.003 0.000 0.961 54 S CB -0.404 62.798 63.200 0.004 0.000 1.074 54 S HN 0.206 8.458 8.310 -0.003 0.056 0.625 55 V N -1.102 118.800 119.914 -0.020 0.000 2.644 55 V HA 0.514 4.770 4.120 -0.014 -0.144 0.295 55 V C -0.467 175.622 176.094 -0.008 0.000 1.053 55 V CA -0.081 62.207 62.300 -0.021 0.000 0.987 55 V CB 1.613 33.409 31.823 -0.045 0.000 1.006 55 V HN -0.619 7.489 8.190 -0.022 0.068 0.472 56 T N 1.549 116.107 114.554 0.006 0.000 2.971 56 T HA 0.344 4.712 4.350 0.030 0.000 0.304 56 T C -1.752 172.989 174.700 0.068 0.000 1.038 56 T CA -1.474 60.644 62.100 0.030 0.000 1.007 56 T CB 2.726 71.608 68.868 0.025 0.000 1.055 56 T HN 0.882 9.125 8.240 0.006 0.000 0.451 57 H N 8.357 127.417 119.070 -0.017 0.000 2.527 57 H HA 0.363 4.921 4.556 0.003 0.000 0.321 57 H C 0.412 175.730 175.328 -0.017 0.000 1.087 57 H CA -0.708 55.331 56.048 -0.015 0.000 1.337 57 H CB 1.882 31.621 29.762 -0.038 0.000 1.440 57 H HN -0.190 8.178 8.280 0.147 0.000 0.490 58 T N 7.552 122.366 114.554 0.433 0.000 2.674 58 T HA -0.185 4.217 4.350 0.087 0.000 0.265 58 T C 0.288 174.992 174.700 0.006 0.000 1.039 58 T CA 3.045 65.238 62.100 0.155 0.000 1.150 58 T CB 0.754 69.699 68.868 0.129 0.000 0.864 58 T HN 0.221 8.807 8.240 0.577 0.000 0.427 59 G N 0.200 108.916 108.800 -0.140 0.000 2.341 59 G HA2 -0.053 3.667 3.960 -0.401 0.000 0.300 59 G HA3 -0.053 3.809 3.960 -0.163 0.000 0.300 59 G C -3.397 171.305 174.900 -0.330 0.000 1.706 59 G CA -0.377 44.542 45.100 -0.302 0.000 0.916 59 G HN -0.702 7.580 8.290 -0.014 0.000 0.716 60 D N 2.561 122.724 120.400 -0.396 0.000 2.325 60 D HA -0.018 4.660 4.640 -0.122 -0.111 0.251 60 D C -1.213 175.027 176.300 -0.100 0.000 1.196 60 D CA -0.234 53.632 54.000 -0.224 0.000 0.866 60 D CB 0.408 41.035 40.800 -0.287 0.000 1.101 60 D HN 0.084 8.196 8.370 -0.431 0.000 0.476 61 N N 4.825 123.536 118.700 0.019 0.000 2.262 61 N HA -0.108 4.619 4.740 -0.022 0.000 0.260 61 N C -0.489 175.054 175.510 0.056 0.000 1.305 61 N CA 1.007 54.081 53.050 0.040 0.000 0.913 61 N CB 0.749 39.285 38.487 0.082 0.000 1.116 61 N HN -0.019 8.525 8.380 0.093 -0.107 0.512 62 R N -3.961 116.585 120.500 0.077 0.000 2.519 62 R HA 0.194 4.836 4.340 0.039 -0.279 0.375 62 R C -1.137 175.245 176.300 0.136 0.000 0.926 62 R CA -0.008 56.130 56.100 0.063 0.000 1.166 62 R CB 0.985 31.283 30.300 -0.003 0.000 1.626 62 R HN 0.445 8.754 8.270 0.064 0.000 0.529 63 T N -6.546 108.136 114.554 0.214 0.000 3.312 63 T HA 0.182 4.800 4.350 0.268 -0.107 0.266 63 T C 0.123 175.030 174.700 0.346 0.000 0.849 63 T CA -0.037 62.207 62.100 0.240 0.000 0.897 63 T CB 1.566 70.481 68.868 0.077 0.000 1.251 63 T HN -0.475 7.890 8.240 0.209 0.000 0.564 64 G N -0.072 108.726 108.800 -0.004 0.000 2.168 64 G HA2 -0.295 2.849 3.960 -1.510 0.000 0.197 64 G HA3 -0.295 2.807 3.960 -1.430 0.000 0.197 64 G C -1.088 173.476 174.900 -0.560 0.000 0.997 64 G CA -0.243 44.313 45.100 -0.906 0.000 0.658 64 G HN -0.196 8.095 8.290 0.001 0.000 0.513 65 E N 2.558 122.606 120.200 -0.254 0.000 2.491 65 E HA -0.284 3.976 4.350 -0.151 0.000 0.250 65 E C -0.634 175.853 176.600 -0.189 0.000 1.061 65 E CA 1.077 57.374 56.400 -0.171 0.000 0.942 65 E CB -0.376 29.267 29.700 -0.095 0.000 0.957 65 E HN -0.724 7.494 8.360 -0.157 0.048 0.480 66 G N 3.769 112.463 108.800 -0.177 0.000 1.950 66 G HA2 -0.065 3.837 3.960 -0.098 0.000 0.231 66 G HA3 -0.065 3.798 3.960 -0.162 0.000 0.231 66 G C -1.577 173.260 174.900 -0.105 0.000 1.685 66 G CA -0.462 44.556 45.100 -0.138 0.000 0.922 66 G HN -0.402 7.788 8.290 -0.166 0.000 0.717 67 D N 2.634 122.999 120.400 -0.057 0.000 2.841 67 D HA -0.069 4.561 4.640 -0.016 0.000 0.244 67 D C -0.217 176.084 176.300 0.003 0.000 1.228 67 D CA -0.149 53.837 54.000 -0.024 0.000 0.872 67 D CB -0.912 39.874 40.800 -0.022 0.000 1.082 67 D HN 0.300 8.638 8.370 -0.054 0.000 0.457 68 G N -0.925 107.884 108.800 0.015 0.000 2.650 68 G HA2 -0.048 3.977 3.960 0.109 0.000 0.310 68 G HA3 -0.048 3.927 3.960 0.026 0.000 0.310 68 G C -2.682 172.270 174.900 0.086 0.000 1.270 68 G CA -0.346 44.794 45.100 0.066 0.000 0.810 68 G HN -0.536 7.615 8.290 -0.029 0.122 0.493 69 D N -0.069 120.380 120.400 0.081 0.000 2.359 69 D HA -0.215 4.471 4.640 -0.030 -0.063 0.273 69 D C -0.046 176.210 176.300 -0.073 0.000 1.362 69 D CA 0.303 54.306 54.000 0.005 0.000 1.010 69 D CB -0.347 40.460 40.800 0.012 0.000 1.090 69 D HN 0.063 8.480 8.370 0.078 0.000 0.521 70 D N 4.340 124.634 120.400 -0.176 0.000 2.173 70 D HA -0.306 4.191 4.640 -0.237 0.000 0.205 70 D C 1.007 177.276 176.300 -0.052 0.000 1.002 70 D CA 2.846 56.705 54.000 -0.236 0.000 0.881 70 D CB 0.252 40.663 40.800 -0.649 0.000 1.062 70 D HN -0.124 8.056 8.370 -0.240 0.045 0.459 71 E N -1.596 118.652 120.200 0.081 0.000 2.312 71 E HA 0.171 4.734 4.350 0.127 -0.137 0.259 71 E C -0.422 176.248 176.600 0.116 0.000 1.122 71 E CA 0.222 56.717 56.400 0.159 0.000 0.922 71 E CB 2.451 32.315 29.700 0.273 0.000 1.109 71 E HN -0.490 7.970 8.360 0.167 0.000 0.442 72 S N -2.608 113.195 115.700 0.172 0.000 2.615 72 S HA 0.436 5.013 4.470 -0.002 -0.108 0.268 72 S C -2.123 172.487 174.600 0.016 0.000 1.146 72 S CA 0.118 58.352 58.200 0.055 0.000 0.818 72 S CB 3.480 66.698 63.200 0.029 0.000 1.111 72 S HN 0.270 8.785 8.310 0.342 0.000 0.465 73 L N 1.467 122.658 121.223 -0.054 0.000 2.470 73 L HA 0.421 4.820 4.340 -0.092 -0.113 0.268 73 L C -2.163 174.702 176.870 -0.008 0.000 0.964 73 L CA 0.154 54.946 54.840 -0.080 0.000 0.839 73 L CB 4.655 46.659 42.059 -0.093 0.000 1.276 73 L HN 0.138 8.333 8.230 -0.058 0.000 0.403 74 K N 5.093 125.498 120.400 0.008 0.000 2.183 74 K HA 0.527 4.996 4.320 -0.009 -0.155 0.274 74 K C -1.010 175.601 176.600 0.019 0.000 1.009 74 K CA -0.993 55.297 56.287 0.006 0.000 0.888 74 K CB 1.246 33.750 32.500 0.006 0.000 1.078 74 K HN 0.991 9.148 8.250 0.014 0.101 0.459 75 I N 4.443 125.023 120.570 0.016 0.000 2.503 75 I HA 0.245 4.413 4.170 -0.003 0.000 0.282 75 I C -1.230 174.864 176.117 -0.038 0.000 1.059 75 I CA -0.735 60.569 61.300 0.007 0.000 1.081 75 I CB 1.826 39.874 38.000 0.079 0.000 1.210 75 I HN 0.731 8.941 8.210 -0.001 0.000 0.450 76 K N 8.280 128.658 120.400 -0.038 0.000 2.142 76 K HA 0.243 4.544 4.320 -0.032 0.000 0.250 76 K C 0.444 177.008 176.600 -0.060 0.000 1.148 76 K CA -0.817 55.450 56.287 -0.034 0.000 1.040 76 K CB -1.605 30.892 32.500 -0.006 0.000 1.569 76 K HN -0.100 8.134 8.250 -0.026 0.000 0.361 77 L N 2.386 123.516 121.223 -0.155 0.000 2.270 77 L HA -0.410 3.692 4.340 -0.396 0.000 0.217 77 L C 1.070 177.988 176.870 0.080 0.000 1.107 77 L CA 2.528 57.184 54.840 -0.307 0.000 0.772 77 L CB -1.062 40.496 42.059 -0.835 0.000 0.902 77 L HN -0.266 7.842 8.230 -0.159 0.027 0.439 78 D N -2.875 117.580 120.400 0.091 0.000 2.371 78 D HA -0.173 4.596 4.640 0.215 0.000 0.234 78 D C 0.160 176.529 176.300 0.115 0.000 1.049 78 D CA 1.263 55.348 54.000 0.142 0.000 0.907 78 D CB -0.672 40.182 40.800 0.091 0.000 0.891 78 D HN -0.556 7.782 8.370 0.033 0.052 0.531 79 A N -2.039 120.838 122.820 0.096 0.000 2.592 79 A HA 0.182 4.550 4.320 0.080 0.000 0.290 79 A C -0.830 176.805 177.584 0.085 0.000 0.998 79 A CA -0.328 51.754 52.037 0.076 0.000 0.983 79 A CB 1.466 20.490 19.000 0.041 0.000 1.240 79 A HN 0.024 8.006 8.150 0.076 0.214 0.535 80 V N 2.469 122.466 119.914 0.139 0.000 2.389 80 V HA 0.199 4.370 4.120 0.086 0.000 0.264 80 V C -1.526 174.675 176.094 0.178 0.000 1.049 80 V CA -2.287 60.106 62.300 0.154 0.000 0.932 80 V CB 0.184 32.141 31.823 0.222 0.000 1.011 80 V HN -0.828 7.479 8.190 0.195 0.000 0.475 81 P HA -0.098 4.370 4.420 0.079 0.000 0.273 81 P C -0.124 177.240 177.300 0.108 0.000 1.237 81 P CA 0.157 63.313 63.100 0.093 0.000 0.813 81 P CB 0.980 32.719 31.700 0.065 0.000 0.930 82 G N -2.846 105.997 108.800 0.071 0.000 2.985 82 G HA2 -0.029 3.966 3.960 0.059 0.000 0.209 82 G HA3 -0.029 3.950 3.960 0.032 0.000 0.209 82 G C 0.033 174.966 174.900 0.055 0.000 1.165 82 G CA 0.187 45.319 45.100 0.054 0.000 0.776 82 G HN 0.061 8.385 8.290 0.056 0.000 0.541 83 D N -0.677 119.760 120.400 0.063 0.000 2.077 83 D HA -0.091 4.576 4.640 0.044 0.000 0.196 83 D C 0.489 176.833 176.300 0.073 0.000 0.986 83 D CA 1.424 55.458 54.000 0.056 0.000 0.829 83 D CB 0.116 40.946 40.800 0.050 0.000 0.983 83 D HN -0.229 8.106 8.370 0.066 0.075 0.453 84 V N -5.533 114.440 119.914 0.099 0.000 2.775 84 V HA -0.168 4.012 4.120 0.100 0.000 0.299 84 V C -0.947 175.258 176.094 0.185 0.000 1.062 84 V CA 0.469 62.844 62.300 0.126 0.000 1.063 84 V CB 0.597 32.493 31.823 0.122 0.000 0.994 84 V HN -0.792 7.458 8.190 0.100 0.000 0.483 85 D N 0.698 121.210 120.400 0.186 0.000 2.525 85 D HA 0.262 5.015 4.640 0.190 0.000 0.231 85 D C -1.557 174.922 176.300 0.298 0.000 1.216 85 D CA 0.186 54.302 54.000 0.193 0.000 0.813 85 D CB 2.858 43.710 40.800 0.086 0.000 1.108 85 D HN -0.157 8.305 8.370 0.152 0.000 0.524 86 K N -1.249 119.316 120.400 0.275 0.000 2.550 86 K HA 0.513 5.234 4.320 0.400 -0.161 0.252 86 K C -2.988 173.686 176.600 0.123 0.000 0.943 86 K CA -0.446 55.995 56.287 0.256 0.000 0.806 86 K CB 3.342 35.942 32.500 0.166 0.000 1.289 86 K HN -0.407 7.970 8.250 0.211 0.000 0.435 87 I N 3.728 124.343 120.570 0.074 0.000 2.828 87 I HA 0.589 4.820 4.170 -0.113 -0.129 0.302 87 I C -1.915 174.115 176.117 -0.145 0.000 1.101 87 I CA -1.775 59.465 61.300 -0.098 0.000 1.031 87 I CB 4.858 42.744 38.000 -0.189 0.000 1.231 87 I HN 0.396 8.700 8.210 0.156 0.000 0.427 88 I N -4.287 116.118 120.570 -0.275 0.000 2.865 88 I HA 0.503 4.694 4.170 0.036 0.000 0.302 88 I C -2.091 173.862 176.117 -0.273 0.000 1.140 88 I CA -1.591 59.619 61.300 -0.150 0.000 1.021 88 I CB 3.467 41.373 38.000 -0.156 0.000 1.233 88 I HN 0.006 8.029 8.210 -0.312 0.000 0.427 89 F N 0.650 120.724 119.950 0.206 0.000 2.492 89 F HA 0.733 5.504 4.527 0.172 -0.142 0.327 89 F C -0.202 175.787 175.800 0.315 0.000 1.079 89 F CA -1.613 56.536 58.000 0.248 0.000 0.967 89 F CB 2.821 42.008 39.000 0.312 0.000 1.169 89 F HN -0.470 8.186 8.300 0.593 0.000 0.472 90 V N -1.498 118.695 119.914 0.465 0.000 3.147 90 V HA 0.382 4.774 4.120 0.454 0.000 0.306 90 V C -2.039 174.279 176.094 0.374 0.000 1.209 90 V CA -1.060 61.513 62.300 0.455 0.000 1.023 90 V CB 4.567 36.722 31.823 0.553 0.000 1.059 90 V HN 0.809 9.233 8.190 0.390 0.000 0.435 91 V N 3.247 123.369 119.914 0.347 0.000 2.488 91 V HA 0.653 5.143 4.120 0.265 -0.212 0.293 91 V C -1.141 175.144 176.094 0.319 0.000 1.027 91 V CA -1.111 61.360 62.300 0.284 0.000 0.862 91 V CB 2.575 34.526 31.823 0.214 0.000 1.008 91 V HN 0.548 8.960 8.190 0.370 0.000 0.428 92 T N 2.683 117.401 114.554 0.272 0.000 2.912 92 T HA 0.435 4.925 4.350 0.234 0.000 0.288 92 T C -0.741 174.023 174.700 0.106 0.000 1.030 92 T CA -2.752 59.475 62.100 0.212 0.000 1.020 92 T CB 2.602 71.597 68.868 0.211 0.000 1.056 92 T HN 0.397 8.800 8.240 0.273 0.000 0.480 93 I N 2.378 122.927 120.570 -0.034 0.000 2.588 93 I HA -0.257 3.858 4.170 -0.091 0.000 0.283 93 I C -0.077 176.076 176.117 0.061 0.000 1.119 93 I CA 0.520 61.767 61.300 -0.089 0.000 1.419 93 I CB -0.199 37.631 38.000 -0.282 0.000 1.394 93 I HN 0.276 8.428 8.210 -0.095 0.000 0.562 94 H N 6.385 125.442 119.070 -0.022 0.000 1.670 94 H HA -0.187 4.416 4.556 0.078 0.000 0.262 94 H C 1.244 176.582 175.328 0.017 0.000 1.804 94 H CA 1.630 57.697 56.048 0.032 0.000 1.343 94 H CB 1.456 31.239 29.762 0.035 0.000 1.767 94 H HN -0.474 7.887 8.280 0.136 0.000 0.509 95 D N -0.018 120.082 120.400 -0.501 0.000 2.312 95 D HA -0.222 4.251 4.640 -0.278 0.000 0.211 95 D C 1.147 177.371 176.300 -0.127 0.000 0.964 95 D CA 3.664 57.458 54.000 -0.343 0.000 0.877 95 D CB -0.496 40.059 40.800 -0.410 0.000 0.924 95 D HN 0.524 8.265 8.370 -1.048 0.000 0.515 96 A N -1.422 121.371 122.820 -0.045 0.000 2.139 96 A HA -0.349 3.977 4.320 0.010 0.000 0.221 96 A C 1.217 178.778 177.584 -0.040 0.000 1.159 96 A CA 2.370 54.408 52.037 0.000 0.000 0.662 96 A CB -0.906 18.136 19.000 0.069 0.000 0.796 96 A HN 0.244 8.349 8.150 -0.002 0.044 0.463 97 Q N -2.513 117.244 119.800 -0.072 0.000 2.084 97 Q HA -0.308 3.965 4.340 -0.113 0.000 0.202 97 Q C 2.414 178.376 176.000 -0.063 0.000 0.978 97 Q CA 2.430 58.180 55.803 -0.088 0.000 0.844 97 Q CB -0.500 28.184 28.738 -0.090 0.000 0.898 97 Q HN -0.535 7.630 8.270 -0.073 0.061 0.426 98 A N 1.171 123.955 122.820 -0.059 0.000 1.877 98 A HA -0.254 4.041 4.320 -0.041 0.000 0.216 98 A C 1.098 178.663 177.584 -0.031 0.000 1.186 98 A CA 2.562 54.572 52.037 -0.045 0.000 0.620 98 A CB -0.624 18.346 19.000 -0.050 0.000 0.822 98 A HN 0.091 8.103 8.150 -0.072 0.095 0.443 99 R N -4.617 115.868 120.500 -0.025 0.000 2.343 99 R HA -0.152 4.184 4.340 -0.007 0.000 0.202 99 R C -0.896 175.402 176.300 -0.004 0.000 1.023 99 R CA -0.716 55.379 56.100 -0.008 0.000 1.084 99 R CB -0.716 29.587 30.300 0.006 0.000 0.956 99 R HN -0.642 7.609 8.270 -0.032 0.000 0.478 100 R N -4.000 116.489 120.500 -0.020 0.000 2.873 100 R HA -0.347 4.034 4.340 -0.039 -0.065 0.281 100 R C -0.568 175.721 176.300 -0.019 0.000 0.933 100 R CA 0.943 57.028 56.100 -0.024 0.000 0.712 100 R CB -3.642 26.652 30.300 -0.011 0.000 1.780 100 R HN -0.193 7.798 8.270 -0.030 0.261 0.488 101 Q N -0.505 119.268 119.800 -0.046 0.000 3.449 101 Q HA 0.131 4.451 4.340 -0.032 0.000 0.272 101 Q C -1.953 173.957 176.000 -0.150 0.000 0.787 101 Q CA -1.412 54.363 55.803 -0.046 0.000 0.904 101 Q CB 1.950 30.715 28.738 0.045 0.000 1.536 101 Q HN -0.291 7.935 8.270 -0.072 0.000 0.387 102 S N -0.284 115.303 115.700 -0.189 0.000 2.580 102 S HA -0.104 4.001 4.470 -0.609 0.000 0.261 102 S C 1.785 176.191 174.600 -0.322 0.000 1.366 102 S CA -0.418 57.548 58.200 -0.390 0.000 0.996 102 S CB 0.703 63.773 63.200 -0.216 0.000 0.902 102 S HN -0.490 7.747 8.310 -0.123 0.000 0.566 103 F N 0.164 120.048 119.950 -0.110 0.000 2.184 103 F HA -0.273 4.107 4.527 -0.245 0.000 0.301 103 F C 2.660 178.354 175.800 -0.176 0.000 1.076 103 F CA 1.792 59.691 58.000 -0.168 0.000 1.295 103 F CB -1.700 37.233 39.000 -0.112 0.000 1.026 103 F HN 0.583 7.619 8.300 -2.108 0.000 0.494 104 G N -1.035 107.919 108.800 0.256 0.000 2.475 104 G HA2 -0.501 3.514 3.960 0.091 0.000 0.220 104 G HA3 -0.501 3.522 3.960 0.105 0.000 0.220 104 G C 0.681 175.549 174.900 -0.053 0.000 1.125 104 G CA 1.507 46.662 45.100 0.092 0.000 0.755 104 G HN 0.228 8.784 8.290 0.476 0.020 0.565 105 Q N -0.915 118.798 119.800 -0.144 0.000 2.297 105 Q HA -0.219 4.043 4.340 -0.130 0.000 0.208 105 Q C 0.773 176.438 176.000 -0.557 0.000 0.981 105 Q CA 1.396 57.040 55.803 -0.265 0.000 0.876 105 Q CB 0.071 28.652 28.738 -0.262 0.000 0.921 105 Q HN -0.101 7.959 8.270 -0.116 0.140 0.446 106 V N -2.583 116.953 119.914 -0.630 0.000 3.441 106 V HA -0.133 3.254 4.120 -1.221 0.000 0.300 106 V C 0.876 176.884 176.094 -0.144 0.000 1.091 106 V CA 0.174 62.097 62.300 -0.629 0.000 1.099 106 V CB 0.363 31.989 31.823 -0.329 0.000 1.138 106 V HN -0.159 7.596 8.190 -0.421 0.183 0.471 107 S N 0.413 116.139 115.700 0.043 0.000 2.489 107 S HA -0.143 4.370 4.470 0.070 0.000 0.228 107 S C 0.311 174.974 174.600 0.104 0.000 0.995 107 S CA 1.544 59.803 58.200 0.098 0.000 0.934 107 S CB 0.669 63.961 63.200 0.153 0.000 0.771 107 S HN 0.527 8.915 8.310 0.130 0.000 0.522 108 G N -0.036 108.846 108.800 0.136 0.000 2.733 108 G HA2 -0.100 3.932 3.960 0.121 0.000 0.223 108 G HA3 -0.100 3.946 3.960 0.143 0.000 0.223 108 G C -1.817 173.241 174.900 0.262 0.000 3.546 108 G CA -0.385 44.810 45.100 0.157 0.000 0.654 108 G HN -0.602 7.742 8.290 0.149 0.035 0.432 109 A N 3.009 125.977 122.820 0.246 0.000 2.313 109 A HA 0.391 5.082 4.320 0.466 -0.091 0.261 109 A C -1.436 176.344 177.584 0.326 0.000 1.090 109 A CA -0.829 51.397 52.037 0.316 0.000 0.807 109 A CB 1.822 20.927 19.000 0.175 0.000 1.055 109 A HN -0.033 8.217 8.150 0.166 0.000 0.492 110 F N -5.512 114.542 119.950 0.174 0.000 2.641 110 F HA 0.789 5.501 4.527 0.097 -0.126 0.308 110 F C -2.635 173.212 175.800 0.078 0.000 1.105 110 F CA -1.597 56.466 58.000 0.104 0.000 0.964 110 F CB 2.765 41.808 39.000 0.071 0.000 1.294 110 F HN 0.513 8.727 8.300 -0.144 0.000 0.442 111 I N -0.933 119.687 120.570 0.083 0.000 2.607 111 I HA 0.429 4.438 4.170 -0.270 0.000 0.305 111 I C -1.206 174.873 176.117 -0.063 0.000 0.995 111 I CA -1.299 59.914 61.300 -0.144 0.000 1.148 111 I CB 2.713 40.569 38.000 -0.240 0.000 1.323 111 I HN 0.234 8.585 8.210 0.235 0.000 0.461 112 R N 2.479 122.850 120.500 -0.215 0.000 2.651 112 R HA 0.597 5.059 4.340 -0.077 -0.168 0.278 112 R C -2.634 173.488 176.300 -0.297 0.000 1.010 112 R CA -1.139 54.886 56.100 -0.126 0.000 0.896 112 R CB 4.557 34.908 30.300 0.085 0.000 1.211 112 R HN 0.446 8.527 8.270 -0.314 0.000 0.456 113 L N 4.954 126.026 121.223 -0.253 0.000 2.408 113 L HA 0.577 4.848 4.340 -0.322 -0.124 0.268 113 L C -2.861 173.908 176.870 -0.168 0.000 0.986 113 L CA -0.668 54.003 54.840 -0.281 0.000 0.820 113 L CB 4.636 46.505 42.059 -0.317 0.000 1.303 113 L HN 0.429 8.567 8.230 -0.154 0.000 0.411 114 V N 4.495 124.314 119.914 -0.158 0.000 3.012 114 V HA 0.474 4.664 4.120 -0.086 -0.122 0.307 114 V C -2.923 173.114 176.094 -0.094 0.000 1.166 114 V CA -2.510 59.730 62.300 -0.100 0.000 0.974 114 V CB 4.950 36.732 31.823 -0.069 0.000 1.040 114 V HN 0.181 8.258 8.190 -0.189 0.000 0.428 115 N N 6.453 125.114 118.700 -0.065 0.000 2.439 115 N HA 0.172 5.015 4.740 -0.059 -0.139 0.243 115 N C 0.246 175.736 175.510 -0.033 0.000 1.088 115 N CA -2.067 50.955 53.050 -0.047 0.000 0.940 115 N CB -0.437 38.035 38.487 -0.024 0.000 1.180 115 N HN -0.077 8.271 8.380 -0.053 0.000 0.505 116 D N 3.663 124.042 120.400 -0.035 0.000 2.389 116 D HA -0.303 4.323 4.640 -0.024 0.000 0.221 116 D C -0.068 176.225 176.300 -0.013 0.000 0.974 116 D CA 2.351 56.336 54.000 -0.024 0.000 0.923 116 D CB 0.251 41.038 40.800 -0.023 0.000 0.892 116 D HN 0.126 8.469 8.370 -0.046 0.000 0.518 117 D N -1.362 119.033 120.400 -0.009 0.000 2.144 117 D HA -0.075 4.567 4.640 0.003 0.000 0.207 117 D C 1.455 177.757 176.300 0.002 0.000 0.970 117 D CA 2.394 56.395 54.000 0.002 0.000 0.853 117 D CB 0.425 41.231 40.800 0.011 0.000 1.007 117 D HN -0.590 7.661 8.370 -0.013 0.110 0.469 118 N N -1.791 116.909 118.700 0.000 0.000 2.392 118 N HA -0.064 4.679 4.740 0.004 0.000 0.177 118 N C -0.669 174.839 175.510 -0.005 0.000 1.066 118 N CA -0.094 52.956 53.050 0.001 0.000 0.895 118 N CB 0.867 39.356 38.487 0.004 0.000 0.988 118 N HN -0.528 7.851 8.380 -0.002 0.000 0.457 119 Q N -3.068 116.726 119.800 -0.011 0.000 2.459 119 Q HA -0.371 3.984 4.340 -0.019 -0.026 0.314 119 Q C -1.974 174.017 176.000 -0.015 0.000 1.432 119 Q CA 1.223 57.018 55.803 -0.014 0.000 0.823 119 Q CB -1.483 27.248 28.738 -0.010 0.000 1.124 119 Q HN 0.432 8.603 8.270 -0.013 0.092 0.392 120 T N -2.964 111.579 114.554 -0.018 0.000 3.031 120 T HA 0.299 4.640 4.350 -0.015 0.000 0.305 120 T C -0.814 173.872 174.700 -0.023 0.000 0.985 120 T CA -1.379 60.711 62.100 -0.016 0.000 1.008 120 T CB 2.199 71.062 68.868 -0.009 0.000 1.005 120 T HN 0.110 8.701 8.240 -0.021 -0.364 0.444 121 E N 5.974 126.160 120.200 -0.024 0.000 2.652 121 E HA -0.367 4.062 4.350 -0.039 -0.103 0.255 121 E C -1.288 175.298 176.600 -0.024 0.000 0.952 121 E CA 1.166 57.549 56.400 -0.028 0.000 0.947 121 E CB -0.701 28.986 29.700 -0.022 0.000 0.912 121 E HN 0.335 8.683 8.360 -0.021 0.000 0.489 122 V N 5.754 125.646 119.914 -0.037 0.000 2.492 122 V HA -0.055 4.057 4.120 -0.014 0.000 0.241 122 V C -0.447 175.654 176.094 0.011 0.000 1.041 122 V CA 1.323 63.607 62.300 -0.027 0.000 1.057 122 V CB 0.764 32.539 31.823 -0.080 0.000 0.711 122 V HN 1.081 9.119 8.190 -0.058 0.117 0.468 123 A N -2.764 120.075 122.820 0.032 0.000 2.515 123 A HA 0.371 4.733 4.320 0.071 0.000 0.292 123 A C -2.983 174.676 177.584 0.124 0.000 1.065 123 A CA 0.069 52.170 52.037 0.106 0.000 0.641 123 A CB 1.819 20.933 19.000 0.190 0.000 1.306 123 A HN -0.768 7.379 8.150 -0.005 0.000 0.441 124 R N -2.247 118.355 120.500 0.171 0.000 2.572 124 R HA 0.219 4.710 4.340 0.095 -0.094 0.273 124 R C -2.693 173.747 176.300 0.233 0.000 1.168 124 R CA -0.380 55.817 56.100 0.163 0.000 1.021 124 R CB 1.663 32.031 30.300 0.113 0.000 1.249 124 R HN 0.126 8.496 8.270 0.167 0.000 0.423 125 Y N 3.671 124.108 120.300 0.229 0.000 2.320 125 Y HA 0.020 4.672 4.550 0.171 0.000 0.324 125 Y C -1.575 174.404 175.900 0.132 0.000 1.190 125 Y CA -0.364 57.858 58.100 0.204 0.000 1.215 125 Y CB 2.658 41.293 38.460 0.291 0.000 1.221 125 Y HN 0.276 8.795 8.280 0.398 0.000 0.486 126 D N 5.690 126.139 120.400 0.081 0.000 2.317 126 D HA 0.254 5.016 4.640 0.204 0.000 0.234 126 D C 0.162 176.612 176.300 0.251 0.000 1.112 126 D CA -0.433 53.658 54.000 0.150 0.000 0.840 126 D CB 0.772 41.571 40.800 -0.002 0.000 1.078 126 D HN 0.430 8.492 8.370 -0.513 0.000 0.486 127 L N 4.300 125.617 121.223 0.157 0.000 2.017 127 L HA -0.251 4.005 4.340 -0.140 0.000 0.208 127 L C 1.936 178.798 176.870 -0.014 0.000 1.073 127 L CA 3.085 57.898 54.840 -0.045 0.000 0.745 127 L CB -0.197 41.784 42.059 -0.129 0.000 0.894 127 L HN -0.279 8.054 8.230 0.172 0.000 0.432 128 T N -2.210 112.373 114.554 0.049 0.000 2.896 128 T HA -0.432 3.949 4.350 0.050 0.000 0.270 128 T C 1.601 176.329 174.700 0.047 0.000 1.104 128 T CA 3.890 66.019 62.100 0.050 0.000 1.115 128 T CB -0.353 68.548 68.868 0.055 0.000 0.843 128 T HN 0.116 8.403 8.240 0.078 0.000 0.523 129 E N 0.241 120.481 120.200 0.068 0.000 2.079 129 E HA -0.022 4.359 4.350 0.052 0.000 0.191 129 E C 0.827 177.491 176.600 0.106 0.000 0.961 129 E CA 1.740 58.190 56.400 0.083 0.000 0.823 129 E CB 0.580 30.324 29.700 0.073 0.000 0.789 129 E HN -0.586 7.629 8.360 0.088 0.197 0.459 130 D N -2.275 118.210 120.400 0.141 0.000 2.336 130 D HA 0.174 4.834 4.640 0.033 0.000 0.228 130 D C -0.185 176.029 176.300 -0.142 0.000 1.120 130 D CA -0.041 53.959 54.000 0.000 0.000 0.839 130 D CB -0.135 40.590 40.800 -0.125 0.000 0.932 130 D HN -0.643 7.871 8.370 0.241 0.000 0.509 131 A N -0.648 122.115 122.820 -0.096 0.000 1.871 131 A HA 0.056 4.215 4.320 -0.267 0.000 0.211 131 A C 0.959 178.671 177.584 0.213 0.000 1.207 131 A CA 2.375 54.417 52.037 0.008 0.000 0.620 131 A CB 0.337 19.392 19.000 0.091 0.000 0.860 131 A HN 0.032 8.068 8.150 -0.024 0.099 0.450 132 S N -2.148 113.623 115.700 0.118 0.000 2.584 132 S HA -0.212 4.321 4.470 0.106 0.000 0.240 132 S C 0.685 175.337 174.600 0.088 0.000 0.975 132 S CA 2.476 60.734 58.200 0.097 0.000 0.949 132 S CB -0.602 62.635 63.200 0.061 0.000 0.761 132 S HN 0.336 8.695 8.310 0.081 0.000 0.536 133 T N 0.163 114.776 114.554 0.098 0.000 3.031 133 T HA 0.025 4.403 4.350 0.047 0.000 0.254 133 T C -0.444 174.312 174.700 0.093 0.000 1.060 133 T CA 2.098 64.238 62.100 0.068 0.000 1.135 133 T CB 0.653 69.540 68.868 0.031 0.000 0.896 133 T HN 0.245 8.418 8.240 0.109 0.132 0.472 134 E N -2.109 118.203 120.200 0.186 0.000 1.803 134 E HA 0.281 4.684 4.350 0.088 0.000 0.192 134 E C -1.584 175.127 176.600 0.186 0.000 1.647 134 E CA -0.746 55.751 56.400 0.161 0.000 1.036 134 E CB 0.434 30.212 29.700 0.131 0.000 1.736 134 E HN -0.417 8.116 8.360 0.289 0.000 0.608 135 T N -1.027 113.551 114.554 0.039 0.000 3.019 135 T HA 0.238 4.123 4.350 -0.774 0.000 0.247 135 T C -0.531 173.895 174.700 -0.455 0.000 0.992 135 T CA 1.006 62.867 62.100 -0.397 0.000 1.036 135 T CB 2.053 70.782 68.868 -0.233 0.000 1.063 135 T HN -0.221 8.071 8.240 0.087 0.000 0.476 136 A N 1.365 124.275 122.820 0.149 0.000 2.299 136 A HA 0.397 4.919 4.320 0.337 0.000 0.332 136 A C -2.127 175.788 177.584 0.551 0.000 1.131 136 A CA -1.578 50.683 52.037 0.373 0.000 0.844 136 A CB 3.037 22.234 19.000 0.328 0.000 1.251 136 A HN -0.802 7.451 8.150 0.171 0.000 0.486 137 M N -1.146 118.744 119.600 0.482 0.000 2.562 137 M HA 0.252 4.898 4.480 0.076 -0.121 0.281 137 M C -2.491 173.976 176.300 0.279 0.000 1.195 137 M CA 0.107 55.540 55.300 0.222 0.000 0.888 137 M CB 5.154 37.741 32.600 -0.021 0.000 1.731 137 M HN -0.152 8.435 8.290 0.494 0.000 0.493 138 L N 1.911 123.241 121.223 0.179 0.000 2.313 138 L HA 0.530 5.105 4.340 0.392 0.000 0.283 138 L C -1.352 175.635 176.870 0.196 0.000 1.013 138 L CA -0.949 54.060 54.840 0.282 0.000 0.816 138 L CB 2.735 44.977 42.059 0.305 0.000 1.236 138 L HN -0.118 8.111 8.230 -0.002 0.000 0.419 139 F N 7.230 127.277 119.950 0.162 0.000 2.074 139 F HA -0.086 4.450 4.527 0.014 0.000 0.293 139 F C -0.775 175.161 175.800 0.228 0.000 1.116 139 F CA 1.901 59.988 58.000 0.145 0.000 1.212 139 F CB 1.369 40.489 39.000 0.201 0.000 0.998 139 F HN -0.182 8.420 8.300 0.503 0.000 0.471 140 G N -5.990 102.837 108.800 0.045 0.000 2.588 140 G HA2 0.187 4.012 3.960 -0.225 0.000 0.281 140 G HA3 0.187 3.978 3.960 -0.282 0.000 0.281 140 G C -2.974 171.824 174.900 -0.169 0.000 1.223 140 G CA 0.088 45.072 45.100 -0.193 0.000 0.871 140 G HN -0.957 7.588 8.290 0.425 0.000 0.492 141 E N -1.644 118.145 120.200 -0.685 0.000 2.449 141 E HA 0.480 4.772 4.350 -0.098 0.000 0.278 141 E C -2.747 173.503 176.600 -0.583 0.000 0.992 141 E CA -1.214 54.955 56.400 -0.385 0.000 0.807 141 E CB 4.574 34.144 29.700 -0.217 0.000 1.350 141 E HN -0.180 7.398 8.360 -1.304 0.000 0.462 142 L N 0.816 121.999 121.223 -0.067 0.000 2.431 142 L HA 0.688 5.243 4.340 0.123 -0.140 0.266 142 L C -2.438 174.678 176.870 0.410 0.000 0.978 142 L CA -0.666 54.277 54.840 0.171 0.000 0.822 142 L CB 4.302 46.525 42.059 0.275 0.000 1.310 142 L HN 0.497 8.733 8.230 0.010 0.000 0.409 143 Y N 1.763 122.266 120.300 0.339 0.000 2.670 143 Y HA 0.747 5.719 4.550 0.460 -0.145 0.334 143 Y C -2.904 173.181 175.900 0.308 0.000 1.185 143 Y CA -2.420 55.890 58.100 0.350 0.000 1.053 143 Y CB 3.151 41.690 38.460 0.131 0.000 1.298 143 Y HN 0.648 9.180 8.280 0.421 0.000 0.459 144 R N -1.291 119.081 120.500 -0.214 0.000 2.457 144 R HA 0.117 4.091 4.340 -0.796 -0.112 0.284 144 R C -1.129 174.963 176.300 -0.345 0.000 1.024 144 R CA -0.915 54.821 56.100 -0.606 0.000 1.025 144 R CB 1.705 31.579 30.300 -0.711 0.000 1.063 144 R HN -0.165 8.154 8.270 0.081 0.000 0.493 145 H N 3.430 122.234 119.070 -0.443 0.000 3.096 145 H HA 0.140 4.664 4.556 -0.055 0.000 0.335 145 H C -0.494 174.745 175.328 -0.148 0.000 0.990 145 H CA 0.195 56.123 56.048 -0.201 0.000 1.393 145 H CB 2.608 32.251 29.762 -0.198 0.000 1.742 145 H HN 0.583 8.590 8.280 -0.359 0.057 0.501 146 N N 8.231 126.645 118.700 -0.477 0.000 2.714 146 N HA -0.353 4.210 4.740 -0.295 0.000 0.250 146 N C -0.369 175.011 175.510 -0.218 0.000 1.117 146 N CA 0.736 53.583 53.050 -0.339 0.000 0.719 146 N CB -0.555 37.729 38.487 -0.338 0.000 1.081 146 N HN 0.899 8.990 8.380 -0.480 0.000 0.557 147 G N -5.355 103.303 108.800 -0.236 0.000 2.136 147 G HA2 -0.430 3.365 3.960 -0.274 0.000 0.242 147 G HA3 -0.430 3.426 3.960 -0.173 0.000 0.242 147 G C -1.406 173.342 174.900 -0.253 0.000 0.989 147 G CA -0.036 44.924 45.100 -0.233 0.000 0.682 147 G HN 0.263 8.369 8.290 -0.257 0.030 0.522 148 E N -0.587 119.460 120.200 -0.256 0.000 2.234 148 E HA 0.246 4.506 4.350 -0.151 0.000 0.266 148 E C -0.663 175.805 176.600 -0.220 0.000 0.877 148 E CA -2.085 54.210 56.400 -0.175 0.000 0.758 148 E CB 2.510 32.180 29.700 -0.051 0.000 1.170 148 E HN -0.058 7.954 8.360 -0.251 0.198 0.415 149 W N 3.392 124.658 121.300 -0.056 0.000 2.137 149 W HA -0.061 4.649 4.660 -0.152 -0.141 0.344 149 W C 0.326 176.771 176.519 -0.124 0.000 1.286 149 W CA 0.652 57.942 57.345 -0.091 0.000 1.240 149 W CB 1.381 30.839 29.460 -0.003 0.000 1.141 149 W HN 0.468 8.686 8.180 0.065 0.000 0.579 150 K N 0.920 121.381 120.400 0.101 0.000 2.565 150 K HA 0.325 4.734 4.320 0.149 0.000 0.251 150 K C -2.020 174.705 176.600 0.208 0.000 0.956 150 K CA -0.842 55.467 56.287 0.036 0.000 0.809 150 K CB 4.078 36.444 32.500 -0.223 0.000 1.267 150 K HN 0.372 8.727 8.250 0.174 0.000 0.438 151 F N 5.334 125.378 119.950 0.156 0.000 2.371 151 F HA 0.466 5.279 4.527 0.235 -0.145 0.329 151 F C -0.412 175.494 175.800 0.177 0.000 1.107 151 F CA -0.230 57.879 58.000 0.180 0.000 1.137 151 F CB 2.116 41.182 39.000 0.110 0.000 1.214 151 F HN 0.314 8.841 8.300 0.378 0.000 0.536 152 R N 5.435 125.719 120.500 -0.360 0.000 2.512 152 R HA 0.270 4.650 4.340 0.067 0.000 0.291 152 R C -2.113 174.015 176.300 -0.287 0.000 1.097 152 R CA -0.421 55.601 56.100 -0.129 0.000 0.940 152 R CB 3.333 33.584 30.300 -0.082 0.000 1.198 152 R HN 0.579 8.106 8.270 -1.239 0.000 0.429 153 A N 4.688 127.467 122.820 -0.069 0.000 2.351 153 A HA -0.071 4.120 4.320 -0.215 0.000 0.257 153 A C -1.042 176.479 177.584 -0.105 0.000 1.087 153 A CA -0.018 51.951 52.037 -0.113 0.000 0.798 153 A CB 0.736 19.713 19.000 -0.038 0.000 1.033 153 A HN 0.497 8.682 8.150 0.058 0.000 0.488 154 V N -1.890 117.957 119.914 -0.112 0.000 3.245 154 V HA 0.086 4.168 4.120 -0.063 0.000 0.246 154 V C 0.485 176.534 176.094 -0.074 0.000 1.487 154 V CA -0.072 62.181 62.300 -0.079 0.000 1.154 154 V CB 1.880 33.656 31.823 -0.078 0.000 0.971 154 V HN 0.467 8.571 8.190 -0.144 0.000 0.443 155 G N 2.123 110.855 108.800 -0.112 0.000 2.587 155 G HA2 -0.348 3.443 3.960 -0.282 0.000 0.245 155 G HA3 -0.348 3.546 3.960 -0.110 0.000 0.245 155 G C -0.829 173.974 174.900 -0.161 0.000 0.959 155 G CA 0.469 45.468 45.100 -0.167 0.000 1.268 155 G HN -0.154 8.058 8.290 -0.130 0.000 0.448 156 Q N 2.010 121.690 119.800 -0.200 0.000 2.496 156 Q HA 0.231 4.433 4.340 -0.230 0.000 0.286 156 Q C -1.323 174.438 176.000 -0.398 0.000 1.103 156 Q CA -1.773 53.862 55.803 -0.280 0.000 0.813 156 Q CB 4.111 32.674 28.738 -0.292 0.000 1.444 156 Q HN -0.198 7.957 8.270 -0.191 0.000 0.443 157 G N -0.940 107.544 108.800 -0.526 0.000 2.739 157 G HA2 0.327 4.181 3.960 -0.368 0.000 0.292 157 G HA3 0.327 4.374 3.960 -0.212 -0.214 0.292 157 G C -1.980 172.612 174.900 -0.513 0.000 1.444 157 G CA 0.144 44.987 45.100 -0.428 0.000 1.144 157 G HN 0.110 8.094 8.290 -0.509 0.000 0.550 158 Y N 0.497 120.816 120.300 0.032 0.000 2.342 158 Y HA 0.030 4.562 4.550 -0.031 0.000 0.334 158 Y C 0.496 176.397 175.900 0.002 0.000 1.067 158 Y CA -1.587 56.508 58.100 -0.009 0.000 1.128 158 Y CB 1.514 39.952 38.460 -0.037 0.000 1.200 158 Y HN -0.581 7.623 8.280 -0.127 0.000 0.464 159 A N 4.983 127.871 122.820 0.114 0.000 2.305 159 A HA -0.157 4.194 4.320 0.051 0.000 0.236 159 A C -0.588 177.025 177.584 0.047 0.000 1.392 159 A CA -0.171 51.901 52.037 0.058 0.000 1.205 159 A CB -1.948 17.068 19.000 0.027 0.000 0.881 159 A HN 0.617 8.830 8.150 0.105 0.000 0.558 160 G N -1.745 107.100 108.800 0.075 0.000 3.110 160 G HA2 -0.186 3.791 3.960 0.030 0.000 0.506 160 G HA3 -0.186 3.772 3.960 -0.003 0.000 0.506 160 G C -0.260 174.637 174.900 -0.005 0.000 1.077 160 G CA -0.157 44.958 45.100 0.024 0.000 0.960 160 G HN -0.379 7.852 8.290 0.144 0.145 0.434 161 G N 2.507 111.285 108.800 -0.036 0.000 5.528 161 G HA2 -0.003 3.902 3.960 -0.092 0.000 0.194 161 G HA3 -0.003 3.873 3.960 -0.141 0.000 0.194 161 G C -0.064 174.730 174.900 -0.176 0.000 0.679 161 G CA 0.025 45.057 45.100 -0.113 0.000 0.640 161 G HN -0.355 7.924 8.290 -0.018 0.000 0.397 162 L N 1.049 122.208 121.223 -0.107 0.000 2.064 162 L HA -0.377 3.908 4.340 -0.092 0.000 0.216 162 L C 0.524 177.287 176.870 -0.178 0.000 1.077 162 L CA 2.247 57.028 54.840 -0.100 0.000 0.766 162 L CB -0.144 41.907 42.059 -0.012 0.000 0.890 162 L HN -0.145 8.050 8.230 -0.059 0.000 0.435 163 A N -5.615 117.109 122.820 -0.159 0.000 2.072 163 A HA -0.023 4.176 4.320 -0.203 0.000 0.216 163 A C 2.036 179.486 177.584 -0.223 0.000 1.156 163 A CA 2.272 54.202 52.037 -0.177 0.000 0.701 163 A CB -0.699 18.233 19.000 -0.114 0.000 0.816 163 A HN 0.116 8.183 8.150 -0.121 0.010 0.458 164 S N -0.699 114.856 115.700 -0.241 0.000 2.371 164 S HA -0.019 4.310 4.470 -0.235 0.000 0.219 164 S C 1.755 176.089 174.600 -0.445 0.000 1.040 164 S CA 2.737 60.771 58.200 -0.278 0.000 0.958 164 S CB 0.158 63.225 63.200 -0.222 0.000 0.860 164 S HN -0.354 7.671 8.310 -0.214 0.156 0.487 165 V N 0.392 119.960 119.914 -0.578 0.000 2.660 165 V HA -0.364 3.122 4.120 -1.057 0.000 0.257 165 V C 1.109 176.597 176.094 -1.010 0.000 1.088 165 V CA 2.994 64.723 62.300 -0.951 0.000 1.106 165 V CB -0.820 30.327 31.823 -1.127 0.000 0.686 165 V HN 0.610 8.391 8.190 -0.478 0.122 0.481 166 C N -0.093 118.754 119.300 -0.756 0.000 2.587 166 C HA -0.325 3.316 4.460 -1.365 0.000 0.282 166 C C 1.480 176.256 174.990 -0.357 0.000 1.277 166 C CA 2.978 61.576 59.018 -0.699 0.000 1.702 166 C CB -1.364 26.125 27.740 -0.420 0.000 2.113 166 C HN -0.491 7.339 8.230 -0.567 0.060 0.490 167 A N -0.753 121.901 122.820 -0.276 0.000 2.067 167 A HA -0.175 4.175 4.320 -0.082 -0.079 0.217 167 A C 2.020 179.484 177.584 -0.201 0.000 1.156 167 A CA 2.322 54.263 52.037 -0.160 0.000 0.683 167 A CB -0.435 18.491 19.000 -0.124 0.000 0.808 167 A HN -0.456 7.517 8.150 -0.295 0.000 0.455 168 Q N -0.328 119.264 119.800 -0.347 0.000 2.248 168 Q HA -0.348 3.839 4.340 -0.254 0.000 0.208 168 Q C 2.339 178.122 176.000 -0.362 0.000 0.984 168 Q CA 3.123 58.697 55.803 -0.381 0.000 0.875 168 Q CB -0.116 28.299 28.738 -0.538 0.000 0.910 168 Q HN 0.654 8.540 8.270 -0.414 0.136 0.433 169 Y N -1.745 118.427 120.300 -0.214 0.000 2.509 169 Y HA -0.161 4.318 4.550 -0.118 0.000 0.293 169 Y C 1.548 177.399 175.900 -0.081 0.000 1.133 169 Y CA 1.805 59.818 58.100 -0.144 0.000 1.283 169 Y CB -0.225 38.135 38.460 -0.167 0.000 1.001 169 Y HN -0.716 7.284 8.280 -0.416 0.029 0.555 170 G N -3.907 104.918 108.800 0.042 0.000 2.623 170 G HA2 -0.111 3.882 3.960 0.055 0.000 0.214 170 G HA3 -0.111 3.860 3.960 0.018 0.000 0.214 170 G C -0.837 174.064 174.900 0.001 0.000 1.138 170 G CA 0.109 45.227 45.100 0.030 0.000 0.794 170 G HN 0.168 8.257 8.290 -0.018 0.191 0.535 171 I N -0.937 119.614 120.570 -0.031 0.000 2.569 171 I HA 0.087 4.246 4.170 -0.019 0.000 0.290 171 I C -2.496 173.591 176.117 -0.050 0.000 1.088 171 I CA -1.030 60.249 61.300 -0.036 0.000 1.047 171 I CB 2.547 40.519 38.000 -0.047 0.000 1.237 171 I HN -0.748 7.265 8.210 -0.059 0.162 0.421 172 N N 7.530 126.211 118.700 -0.032 0.000 2.525 172 N HA -0.029 4.686 4.740 -0.041 0.000 0.271 172 N C -0.377 175.106 175.510 -0.045 0.000 1.194 172 N CA 0.252 53.281 53.050 -0.034 0.000 0.964 172 N CB 1.026 39.503 38.487 -0.017 0.000 1.126 172 N HN 0.028 8.396 8.380 -0.021 0.000 0.452 173 A N 2.575 125.364 122.820 -0.051 0.000 2.249 173 A HA 0.182 4.470 4.320 -0.053 0.000 0.281 173 A C 0.195 177.758 177.584 -0.034 0.000 1.127 173 A CA -0.289 51.719 52.037 -0.049 0.000 0.833 173 A CB 0.139 19.107 19.000 -0.052 0.000 1.140 173 A HN 0.088 8.207 8.150 -0.051 0.000 0.502 174 S N 0.000 115.681 115.700 -0.031 0.000 2.498 174 S HA 0.000 4.456 4.470 -0.023 0.000 0.327 174 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 174 S CB 0.000 63.186 63.200 -0.023 0.000 0.593 174 S HN 0.000 8.289 8.310 -0.034 0.000 0.517