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 2k5g_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTSPSSAFPD GHGARLDAQS IRFERLLPGP IERVWAWLAD ADKRARWLAG DATA SEQUENCE GELPRQPGQT FELHFNHAAL TAETAPARYA QYDRPIVARH TLLRCEPPRV DATA SEQUENCE LALTWGGGAG EAPSEVLFEL SEAGEQVRLV LTHTRLADRA AMLDVAGGWH DATA SEQUENCE AHLAVLAGKL AGQAPPPFWT TLAQAEQDYE QRLLEHHHHH H 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 M HA 0.000 4.394 4.480 -0.143 0.000 0.227 1 M C 0.000 176.236 176.300 -0.106 0.000 1.140 1 M CA 0.000 55.237 55.300 -0.105 0.000 0.988 1 M CB 0.000 32.550 32.600 -0.083 0.000 1.302 2 T N 6.091 120.529 114.554 -0.194 0.000 2.737 2 T HA 0.145 4.463 4.350 -0.053 0.000 0.296 2 T C -0.896 173.770 174.700 -0.058 0.000 0.922 2 T CA 0.151 62.157 62.100 -0.158 0.000 1.079 2 T CB 0.099 68.803 68.868 -0.273 0.000 0.892 2 T HN 0.216 8.290 8.240 -0.276 0.000 0.514 3 S N 5.709 121.485 115.700 0.126 0.000 2.571 3 S HA 0.270 5.087 4.470 0.579 0.000 0.238 3 S C -2.185 172.514 174.600 0.164 0.000 1.153 3 S CA -1.891 56.470 58.200 0.269 0.000 1.141 3 S CB 0.776 64.081 63.200 0.176 0.000 1.133 3 S HN 0.093 8.448 8.310 0.074 0.000 0.464 4 P HA 0.229 4.672 4.420 0.038 0.000 0.301 4 P C -1.275 175.995 177.300 -0.051 0.000 1.348 4 P CA -0.531 62.596 63.100 0.045 0.000 0.826 4 P CB 0.971 32.702 31.700 0.053 0.000 0.945 5 S N 5.945 121.607 115.700 -0.064 0.000 3.072 5 S HA 0.140 4.695 4.470 -0.204 -0.208 0.306 5 S C -0.373 174.114 174.600 -0.189 0.000 1.207 5 S CA -0.257 57.858 58.200 -0.142 0.000 1.008 5 S CB -0.745 62.410 63.200 -0.074 0.000 1.390 5 S HN 0.369 8.662 8.310 -0.028 0.000 0.523 6 S N 6.133 121.674 115.700 -0.264 0.000 2.694 6 S HA 0.046 4.424 4.470 -0.154 0.000 0.225 6 S C -1.200 173.219 174.600 -0.301 0.000 1.012 6 S CA 0.685 58.753 58.200 -0.221 0.000 0.896 6 S CB 0.925 64.020 63.200 -0.173 0.000 0.838 6 S HN 0.226 8.347 8.310 -0.315 0.000 0.604 7 A N -0.817 121.752 122.820 -0.418 0.000 2.612 7 A HA 0.264 4.340 4.320 -0.406 0.000 0.293 7 A C -2.438 174.832 177.584 -0.523 0.000 1.075 7 A CA -0.006 51.789 52.037 -0.402 0.000 0.680 7 A CB 1.897 20.794 19.000 -0.172 0.000 1.279 7 A HN -0.719 7.177 8.150 -0.425 0.000 0.411 8 F N -0.039 119.880 119.950 -0.053 0.000 2.313 8 F HA 0.398 4.882 4.527 -0.072 0.000 0.369 8 F C -1.696 174.070 175.800 -0.056 0.000 1.109 8 F CA -2.820 55.145 58.000 -0.058 0.000 1.132 8 F CB 0.446 39.418 39.000 -0.047 0.000 1.291 8 F HN 0.057 8.371 8.300 0.024 0.000 0.496 9 P HA 0.091 4.519 4.420 0.014 0.000 0.279 9 P C -1.300 176.015 177.300 0.025 0.000 1.239 9 P CA -0.458 62.650 63.100 0.012 0.000 0.789 9 P CB 0.608 32.282 31.700 -0.044 0.000 0.933 10 D N 1.476 121.890 120.400 0.022 0.000 2.496 10 D HA 0.080 4.720 4.640 -0.000 0.000 0.283 10 D C 0.122 176.431 176.300 0.015 0.000 1.214 10 D CA -0.404 53.602 54.000 0.010 0.000 1.089 10 D CB 1.048 41.854 40.800 0.009 0.000 1.141 10 D HN -0.041 8.345 8.370 0.026 0.000 0.580 11 G N -3.307 105.499 108.800 0.010 0.000 2.506 11 G HA2 0.221 4.251 3.960 0.116 0.000 0.292 11 G HA3 0.221 4.197 3.960 0.027 0.000 0.292 11 G C -1.780 173.133 174.900 0.021 0.000 1.425 11 G CA -0.174 44.959 45.100 0.055 0.000 0.788 11 G HN -0.194 8.075 8.290 -0.036 0.000 0.490 12 H N -0.749 118.338 119.070 0.029 0.000 2.679 12 H HA 0.277 4.846 4.556 0.022 0.000 0.360 12 H C -0.427 174.937 175.328 0.060 0.000 1.105 12 H CA -0.244 55.824 56.048 0.032 0.000 1.196 12 H CB 2.285 32.061 29.762 0.023 0.000 1.636 12 H HN 0.186 8.596 8.280 0.217 0.000 0.531 13 G N 0.661 109.536 108.800 0.125 0.000 2.406 13 G HA2 -0.025 4.031 3.960 0.160 0.000 0.251 13 G HA3 -0.025 3.982 3.960 0.079 0.000 0.251 13 G C -1.121 173.848 174.900 0.115 0.000 1.271 13 G CA -0.555 44.618 45.100 0.123 0.000 0.859 13 G HN 0.190 8.511 8.290 0.052 0.000 0.540 14 A N 3.625 126.508 122.820 0.105 0.000 2.438 14 A HA 0.045 4.344 4.320 -0.035 0.000 0.280 14 A C 0.019 177.579 177.584 -0.040 0.000 1.160 14 A CA -0.130 51.888 52.037 -0.032 0.000 0.821 14 A CB 0.298 19.151 19.000 -0.246 0.000 1.101 14 A HN 0.245 8.514 8.150 0.199 0.000 0.515 15 R N 2.755 123.236 120.500 -0.033 0.000 2.541 15 R HA 0.317 4.639 4.340 -0.029 0.000 0.263 15 R C -0.178 176.086 176.300 -0.060 0.000 1.112 15 R CA -0.394 55.686 56.100 -0.034 0.000 1.170 15 R CB 0.729 31.022 30.300 -0.012 0.000 1.167 15 R HN 0.207 8.462 8.270 -0.024 0.000 0.582 16 L N -2.537 118.655 121.223 -0.051 0.000 7.734 16 L HA -0.298 4.014 4.340 -0.047 0.000 0.095 16 L C -0.518 176.304 176.870 -0.080 0.000 1.227 16 L CA 0.665 55.470 54.840 -0.057 0.000 1.430 16 L CB -0.529 41.498 42.059 -0.055 0.000 2.866 16 L HN 0.261 8.468 8.230 -0.039 0.000 1.178 17 D N -2.512 117.840 120.400 -0.079 0.000 2.626 17 D HA 0.207 4.772 4.640 -0.125 0.000 0.278 17 D C -2.136 174.116 176.300 -0.080 0.000 1.211 17 D CA -0.542 53.401 54.000 -0.094 0.000 0.903 17 D CB 1.825 42.575 40.800 -0.083 0.000 1.408 17 D HN -0.143 8.188 8.370 -0.065 0.000 0.454 18 A N -2.041 120.734 122.820 -0.075 0.000 2.587 18 A HA 0.236 4.531 4.320 -0.041 0.000 0.293 18 A C -1.179 176.392 177.584 -0.022 0.000 1.087 18 A CA -0.295 51.713 52.037 -0.048 0.000 0.692 18 A CB 2.167 21.133 19.000 -0.057 0.000 1.291 18 A HN 0.138 8.236 8.150 -0.087 0.000 0.407 19 Q N -1.330 118.467 119.800 -0.004 0.000 2.360 19 Q HA -0.017 4.328 4.340 0.008 0.000 0.202 19 Q C -0.953 175.068 176.000 0.035 0.000 0.915 19 Q CA 0.264 56.073 55.803 0.011 0.000 0.943 19 Q CB 0.870 29.613 28.738 0.007 0.000 1.064 19 Q HN 0.375 8.642 8.270 -0.006 0.000 0.511 20 S N -3.334 112.391 115.700 0.042 0.000 2.794 20 S HA 0.127 4.652 4.470 0.093 0.000 0.299 20 S C -1.799 172.857 174.600 0.094 0.000 1.179 20 S CA -1.830 56.419 58.200 0.082 0.000 0.838 20 S CB 3.173 66.429 63.200 0.092 0.000 1.206 20 S HN -0.734 7.500 8.310 0.021 0.088 0.523 21 I N 2.207 122.879 120.570 0.170 0.000 2.315 21 I HA 0.055 4.318 4.170 0.155 0.000 0.291 21 I C -1.137 175.060 176.117 0.133 0.000 1.006 21 I CA -1.291 60.140 61.300 0.218 0.000 1.265 21 I CB 0.129 38.391 38.000 0.437 0.000 1.387 21 I HN 0.094 8.437 8.210 0.221 0.000 0.475 22 R N 7.227 127.671 120.500 -0.094 0.000 2.358 22 R HA 0.261 4.690 4.340 -0.011 -0.095 0.309 22 R C -1.330 174.714 176.300 -0.427 0.000 1.026 22 R CA -0.689 55.314 56.100 -0.163 0.000 0.909 22 R CB 1.322 31.516 30.300 -0.177 0.000 1.153 22 R HN 0.423 8.546 8.270 -0.245 0.000 0.515 23 F N 4.888 124.870 119.950 0.053 0.000 2.612 23 F HA 0.269 4.813 4.527 0.029 0.000 0.332 23 F C -1.762 174.052 175.800 0.024 0.000 1.167 23 F CA -0.948 57.070 58.000 0.030 0.000 0.970 23 F CB 3.740 42.746 39.000 0.011 0.000 1.234 23 F HN 0.217 8.625 8.300 0.179 0.000 0.453 24 E N 4.705 125.003 120.200 0.162 0.000 2.133 24 E HA 0.924 5.565 4.350 0.112 -0.224 0.274 24 E C -0.758 175.899 176.600 0.095 0.000 0.930 24 E CA -1.487 54.976 56.400 0.105 0.000 0.770 24 E CB 1.863 31.594 29.700 0.053 0.000 1.104 24 E HN 0.295 8.728 8.360 0.123 0.000 0.403 25 R N 1.593 122.133 120.500 0.066 0.000 2.867 25 R HA 0.581 4.948 4.340 0.045 0.000 0.268 25 R C -2.307 173.995 176.300 0.003 0.000 1.014 25 R CA -1.902 54.216 56.100 0.030 0.000 0.946 25 R CB 4.203 34.498 30.300 -0.008 0.000 1.208 25 R HN 0.777 8.975 8.270 0.067 0.113 0.477 26 L N 2.055 123.270 121.223 -0.013 0.000 2.313 26 L HA 0.723 5.201 4.340 -0.022 -0.150 0.283 26 L C -1.784 175.046 176.870 -0.067 0.000 1.013 26 L CA -1.775 53.048 54.840 -0.028 0.000 0.816 26 L CB 0.998 43.049 42.059 -0.013 0.000 1.236 26 L HN 0.392 8.617 8.230 -0.009 0.000 0.419 27 L N 6.144 127.317 121.223 -0.085 0.000 2.354 27 L HA 0.654 4.897 4.340 -0.161 0.000 0.269 27 L C -2.484 174.309 176.870 -0.129 0.000 1.005 27 L CA -3.919 50.837 54.840 -0.140 0.000 0.819 27 L CB 2.747 44.696 42.059 -0.183 0.000 1.311 27 L HN 1.128 9.214 8.230 -0.062 0.107 0.423 28 P HA 0.032 4.388 4.420 -0.106 0.000 0.279 28 P C -0.622 176.603 177.300 -0.125 0.000 1.239 28 P CA -0.305 62.710 63.100 -0.141 0.000 0.789 28 P CB 0.920 32.512 31.700 -0.181 0.000 0.933 29 G N 1.624 110.378 108.800 -0.077 0.000 2.650 29 G HA2 -0.177 3.766 3.960 -0.029 0.000 0.686 29 G HA3 -0.177 3.759 3.960 -0.040 0.000 0.686 29 G C -1.149 173.738 174.900 -0.022 0.000 1.205 29 G CA -0.813 44.262 45.100 -0.042 0.000 0.781 29 G HN -0.647 7.601 8.290 -0.070 0.000 0.648 30 P HA -0.162 4.332 4.420 -0.004 -0.077 0.213 30 P C -0.380 176.927 177.300 0.012 0.000 1.170 30 P CA 2.028 65.129 63.100 0.002 0.000 0.893 30 P CB 1.028 32.732 31.700 0.007 0.000 0.784 31 I N -8.218 112.371 120.570 0.032 0.000 5.451 31 I HA -0.048 4.155 4.170 0.056 0.000 0.324 31 I C -0.356 175.828 176.117 0.113 0.000 0.941 31 I CA 1.670 63.005 61.300 0.057 0.000 1.700 31 I CB 0.072 38.093 38.000 0.035 0.000 2.427 31 I HN -0.557 7.677 8.210 0.040 0.000 0.804 32 E N 2.096 122.349 120.200 0.088 0.000 2.110 32 E HA -0.358 4.071 4.350 0.132 0.000 0.193 32 E C 1.446 178.187 176.600 0.236 0.000 0.988 32 E CA 3.618 60.096 56.400 0.131 0.000 0.804 32 E CB -0.202 29.532 29.700 0.056 0.000 0.745 32 E HN 0.210 8.599 8.360 0.048 0.000 0.458 33 R N -1.014 119.596 120.500 0.182 0.000 2.073 33 R HA -0.183 4.314 4.340 0.262 0.000 0.234 33 R C 2.458 178.973 176.300 0.359 0.000 1.134 33 R CA 2.714 58.961 56.100 0.244 0.000 0.952 33 R CB -1.067 29.326 30.300 0.156 0.000 0.850 33 R HN 0.175 8.504 8.270 0.122 0.014 0.433 34 V N -0.333 119.694 119.914 0.188 0.000 2.515 34 V HA -0.290 3.780 4.120 -0.083 0.000 0.250 34 V C 1.331 177.571 176.094 0.244 0.000 1.058 34 V CA 3.658 66.008 62.300 0.083 0.000 1.064 34 V CB -0.708 31.083 31.823 -0.054 0.000 0.675 34 V HN -0.182 8.085 8.190 0.128 0.000 0.461 35 W N 0.492 121.857 121.300 0.108 0.000 2.350 35 W HA -0.399 4.297 4.660 0.061 0.000 0.289 35 W C 0.169 176.775 176.519 0.146 0.000 1.215 35 W CA 3.097 60.499 57.345 0.095 0.000 1.236 35 W CB -0.297 29.199 29.460 0.061 0.000 1.130 35 W HN -0.107 8.208 8.180 0.405 0.108 0.541 36 A N -0.670 122.308 122.820 0.263 0.000 1.917 36 A HA -0.359 3.963 4.320 0.005 0.000 0.219 36 A C 1.864 179.398 177.584 -0.083 0.000 1.182 36 A CA 3.258 55.324 52.037 0.048 0.000 0.633 36 A CB -1.187 17.810 19.000 -0.006 0.000 0.819 36 A HN -0.403 7.859 8.150 0.421 0.141 0.448 37 W N -4.593 116.640 121.300 -0.113 0.000 2.425 37 W HA -0.200 4.544 4.660 0.141 0.000 0.277 37 W C 2.312 178.936 176.519 0.174 0.000 1.231 37 W CA 2.753 60.109 57.345 0.018 0.000 1.248 37 W CB -0.121 29.153 29.460 -0.310 0.000 1.117 37 W HN -0.563 8.052 8.180 0.740 0.009 0.568 38 L N -1.758 119.481 121.223 0.027 0.000 2.131 38 L HA -0.346 4.076 4.340 0.137 0.000 0.206 38 L C 1.382 177.971 176.870 -0.469 0.000 1.087 38 L CA 2.824 57.526 54.840 -0.230 0.000 0.767 38 L CB -0.660 41.020 42.059 -0.631 0.000 0.917 38 L HN -0.178 7.848 8.230 -0.084 0.154 0.441 39 A N -1.887 120.550 122.820 -0.638 0.000 1.871 39 A HA -0.165 3.848 4.320 -0.512 0.000 0.211 39 A C -0.629 176.798 177.584 -0.262 0.000 1.207 39 A CA 1.279 53.012 52.037 -0.506 0.000 0.620 39 A CB 0.400 19.128 19.000 -0.454 0.000 0.860 39 A HN -0.049 7.615 8.150 -0.647 0.099 0.450 40 D N -0.291 119.982 120.400 -0.212 0.000 2.412 40 D HA -0.132 4.419 4.640 -0.148 0.000 0.257 40 D C 0.471 176.673 176.300 -0.163 0.000 1.217 40 D CA 0.022 53.918 54.000 -0.173 0.000 0.897 40 D CB 1.458 42.131 40.800 -0.212 0.000 1.132 40 D HN -0.192 7.932 8.370 -0.231 0.107 0.493 41 A N 7.022 129.749 122.820 -0.155 0.000 2.067 41 A HA -0.233 3.972 4.320 -0.191 0.000 0.217 41 A C 0.784 178.281 177.584 -0.145 0.000 1.156 41 A CA 2.467 54.409 52.037 -0.159 0.000 0.683 41 A CB 0.031 18.951 19.000 -0.133 0.000 0.808 41 A HN 0.417 8.484 8.150 -0.139 0.000 0.455 42 D N -1.935 118.388 120.400 -0.129 0.000 2.077 42 D HA -0.245 4.332 4.640 -0.106 0.000 0.196 42 D C 1.967 178.201 176.300 -0.109 0.000 0.986 42 D CA 3.120 57.052 54.000 -0.114 0.000 0.829 42 D CB 0.307 41.043 40.800 -0.106 0.000 0.983 42 D HN -0.531 7.959 8.370 -0.131 -0.198 0.453 43 K N -2.578 117.754 120.400 -0.115 0.000 2.217 43 K HA -0.165 4.138 4.320 -0.028 0.000 0.202 43 K C 2.444 179.065 176.600 0.034 0.000 1.051 43 K CA 2.479 58.737 56.287 -0.047 0.000 0.952 43 K CB -0.166 32.236 32.500 -0.164 0.000 0.736 43 K HN -0.018 8.543 8.250 -0.149 -0.401 0.453 44 R N 0.210 120.644 120.500 -0.109 0.000 2.148 44 R HA -0.262 3.448 4.340 -1.050 0.000 0.227 44 R C 1.021 176.974 176.300 -0.577 0.000 1.103 44 R CA 2.820 58.601 56.100 -0.532 0.000 0.983 44 R CB -0.170 29.863 30.300 -0.446 0.000 0.874 44 R HN -0.411 7.763 8.270 -0.116 0.026 0.451 45 A N -4.686 117.960 122.820 -0.290 0.000 2.239 45 A HA -0.058 4.062 4.320 -0.261 0.044 0.209 45 A C 0.644 178.131 177.584 -0.161 0.000 1.171 45 A CA 1.594 53.497 52.037 -0.223 0.000 0.768 45 A CB -0.364 18.542 19.000 -0.157 0.000 0.790 45 A HN -0.555 7.439 8.150 -0.214 0.028 0.478 46 R N -3.930 116.504 120.500 -0.109 0.000 2.437 46 R HA 0.155 4.465 4.340 -0.051 0.000 0.257 46 R C -0.213 176.149 176.300 0.104 0.000 0.927 46 R CA 0.105 56.202 56.100 -0.006 0.000 1.078 46 R CB 1.789 32.119 30.300 0.050 0.000 1.161 46 R HN -0.115 7.867 8.270 -0.120 0.216 0.529 47 W N -4.700 116.608 121.300 0.014 0.000 2.355 47 W HA 0.308 4.969 4.660 0.000 0.000 0.303 47 W C -2.234 174.335 176.519 0.083 0.000 0.939 47 W CA -0.443 56.931 57.345 0.047 0.000 1.377 47 W CB 2.362 31.889 29.460 0.112 0.000 1.048 47 W HN -0.488 7.421 8.180 -0.244 0.124 0.542 48 L N -1.347 119.577 121.223 -0.499 0.000 3.057 48 L HA 0.488 4.863 4.340 -0.120 -0.107 0.167 48 L C -1.857 174.820 176.870 -0.323 0.000 1.379 48 L CA -0.185 54.379 54.840 -0.462 0.000 0.945 48 L CB 2.256 43.677 42.059 -1.062 0.000 1.828 48 L HN -0.324 7.566 8.230 -0.567 0.000 0.540 49 A N -3.700 118.863 122.820 -0.428 0.000 2.594 49 A HA 0.447 4.884 4.320 -0.235 -0.258 0.296 49 A C -2.394 175.021 177.584 -0.282 0.000 1.056 49 A CA -0.418 51.443 52.037 -0.294 0.000 0.693 49 A CB 2.720 21.538 19.000 -0.303 0.000 1.278 49 A HN -0.408 7.353 8.150 -0.649 0.000 0.408 50 G N -1.807 106.881 108.800 -0.186 0.000 2.356 50 G HA2 0.308 4.283 3.960 -0.184 0.000 0.298 50 G HA3 0.308 4.196 3.960 -0.119 0.000 0.298 50 G C -1.652 173.211 174.900 -0.062 0.000 1.145 50 G CA -1.118 43.898 45.100 -0.140 0.000 0.850 50 G HN 0.194 8.392 8.290 -0.153 0.000 0.487 51 G N 2.872 111.624 108.800 -0.081 0.000 1.853 51 G HA2 -0.079 3.898 3.960 0.030 0.000 0.225 51 G HA3 -0.079 3.916 3.960 0.060 0.000 0.225 51 G C -2.015 172.792 174.900 -0.154 0.000 1.960 51 G CA -0.152 44.934 45.100 -0.024 0.000 0.909 51 G HN -0.185 8.026 8.290 -0.131 0.000 0.599 52 E N 4.569 124.698 120.200 -0.117 0.000 2.416 52 E HA -0.070 4.165 4.350 -0.192 0.000 0.254 52 E C -1.560 174.895 176.600 -0.242 0.000 1.241 52 E CA -0.260 56.043 56.400 -0.161 0.000 0.969 52 E CB 0.919 30.568 29.700 -0.085 0.000 0.999 52 E HN -0.014 8.314 8.360 -0.053 0.000 0.481 53 L N 0.181 121.277 121.223 -0.211 0.000 2.334 53 L HA 0.227 4.320 4.340 -0.412 0.000 0.277 53 L C -1.343 175.486 176.870 -0.068 0.000 1.075 53 L CA -1.708 53.002 54.840 -0.217 0.000 0.804 53 L CB -0.269 41.706 42.059 -0.140 0.000 1.174 53 L HN 0.251 8.391 8.230 -0.151 0.000 0.438 54 P HA 0.164 4.613 4.420 0.049 0.000 0.318 54 P C -0.775 176.552 177.300 0.046 0.000 1.309 54 P CA -0.662 62.470 63.100 0.053 0.000 0.736 54 P CB 0.872 32.641 31.700 0.115 0.000 1.440 55 R N -3.250 117.282 120.500 0.053 0.000 2.167 55 R HA 0.257 4.623 4.340 0.043 0.000 0.201 55 R C 0.230 176.562 176.300 0.053 0.000 1.024 55 R CA 0.144 56.272 56.100 0.046 0.000 1.053 55 R CB 0.954 31.277 30.300 0.037 0.000 0.987 55 R HN 0.037 8.543 8.270 0.058 -0.201 0.493 56 Q N 0.038 119.875 119.800 0.060 0.000 2.274 56 Q HA 0.463 4.836 4.340 0.054 0.000 0.260 56 Q C -2.214 173.832 176.000 0.077 0.000 0.974 56 Q CA -2.951 52.888 55.803 0.060 0.000 0.876 56 Q CB 1.335 30.104 28.738 0.051 0.000 1.297 56 Q HN -0.344 8.346 8.270 0.064 -0.382 0.446 57 P HA -0.315 4.169 4.420 0.107 0.000 0.270 57 P C -0.206 177.140 177.300 0.078 0.000 1.242 57 P CA 0.469 63.621 63.100 0.086 0.000 0.768 57 P CB -0.359 31.387 31.700 0.076 0.000 0.820 58 G N 4.997 113.851 108.800 0.090 0.000 2.231 58 G HA2 -0.338 3.664 3.960 0.070 0.000 0.206 58 G HA3 -0.338 3.656 3.960 0.057 0.000 0.206 58 G C -0.575 174.365 174.900 0.067 0.000 0.996 58 G CA -0.282 44.861 45.100 0.071 0.000 0.645 58 G HN 0.523 8.882 8.290 0.114 0.000 0.498 59 Q N -0.115 119.736 119.800 0.086 0.000 2.396 59 Q HA 0.192 4.566 4.340 0.056 0.000 0.221 59 Q C -1.228 174.835 176.000 0.104 0.000 1.025 59 Q CA -0.059 55.794 55.803 0.083 0.000 0.946 59 Q CB 1.020 29.812 28.738 0.091 0.000 1.224 59 Q HN -0.479 7.777 8.270 0.096 0.071 0.539 60 T N -2.898 111.700 114.554 0.073 0.000 2.823 60 T HA 0.664 5.204 4.350 0.015 -0.181 0.279 60 T C -0.780 173.973 174.700 0.088 0.000 0.998 60 T CA -1.515 60.600 62.100 0.025 0.000 0.994 60 T CB 1.659 70.492 68.868 -0.059 0.000 0.960 60 T HN -0.027 8.247 8.240 0.057 0.000 0.448 61 F N 0.810 120.774 119.950 0.025 0.000 2.541 61 F HA 0.466 4.992 4.527 -0.002 0.000 0.331 61 F C -2.063 173.730 175.800 -0.012 0.000 1.057 61 F CA -2.998 55.005 58.000 0.003 0.000 0.975 61 F CB 2.218 41.218 39.000 -0.001 0.000 1.246 61 F HN 0.759 8.887 8.300 -0.286 0.000 0.484 62 E N 0.987 121.248 120.200 0.102 0.000 2.129 62 E HA 0.647 5.077 4.350 -0.172 -0.184 0.268 62 E C -0.925 175.674 176.600 -0.003 0.000 0.900 62 E CA -1.057 55.311 56.400 -0.053 0.000 0.755 62 E CB 0.951 30.610 29.700 -0.067 0.000 1.117 62 E HN 0.148 8.638 8.360 0.218 0.000 0.410 63 L N -0.673 120.468 121.223 -0.137 0.000 2.256 63 L HA 0.754 5.194 4.340 0.012 -0.094 0.261 63 L C -1.858 174.775 176.870 -0.395 0.000 1.022 63 L CA -1.996 52.758 54.840 -0.144 0.000 0.828 63 L CB 3.454 45.461 42.059 -0.087 0.000 1.374 63 L HN 0.230 8.312 8.230 -0.247 0.000 0.436 64 H N -2.012 116.891 119.070 -0.278 0.000 2.539 64 H HA 0.331 4.950 4.556 -0.153 -0.154 0.332 64 H C -0.251 174.882 175.328 -0.325 0.000 1.031 64 H CA -1.475 54.439 56.048 -0.224 0.000 1.206 64 H CB 2.383 32.072 29.762 -0.123 0.000 1.446 64 H HN -0.209 8.039 8.280 -0.054 0.000 0.496 65 F N 5.269 125.188 119.950 -0.051 0.000 2.541 65 F HA 0.014 4.469 4.527 -0.120 0.000 0.347 65 F C -0.116 175.618 175.800 -0.110 0.000 1.242 65 F CA 0.362 58.303 58.000 -0.099 0.000 1.123 65 F CB -1.575 37.370 39.000 -0.092 0.000 1.354 65 F HN 0.931 9.179 8.300 0.078 0.099 0.621 66 N N 4.056 122.749 118.700 -0.012 0.000 2.294 66 N HA -0.064 4.618 4.740 -0.095 0.000 0.275 66 N C 0.050 175.466 175.510 -0.158 0.000 1.291 66 N CA -0.573 52.430 53.050 -0.079 0.000 0.933 66 N CB 0.963 39.422 38.487 -0.047 0.000 1.096 66 N HN -0.532 7.818 8.380 -0.050 0.000 0.525 67 H N 0.882 119.868 119.070 -0.141 0.000 3.248 67 H HA -0.304 4.305 4.556 -0.109 -0.118 0.258 67 H C 0.851 175.992 175.328 -0.312 0.000 0.923 67 H CA 2.502 58.453 56.048 -0.162 0.000 1.416 67 H CB -1.766 27.931 29.762 -0.108 0.000 1.523 67 H HN 0.434 8.746 8.280 0.053 0.000 0.528 68 A N 3.827 126.408 122.820 -0.398 0.000 2.861 68 A HA -0.548 2.985 4.320 -1.312 0.000 0.261 68 A C -1.199 176.163 177.584 -0.370 0.000 1.351 68 A CA 0.894 52.592 52.037 -0.565 0.000 0.904 68 A CB -1.318 17.604 19.000 -0.129 0.000 1.076 68 A HN 1.059 8.832 8.150 -0.456 0.103 0.729 69 A N -7.753 114.886 122.820 -0.302 0.000 2.799 69 A HA -0.436 3.934 4.320 -0.038 -0.073 0.287 69 A C -1.566 175.997 177.584 -0.035 0.000 1.484 69 A CA 1.568 53.587 52.037 -0.030 0.000 0.813 69 A CB -1.618 17.533 19.000 0.252 0.000 1.009 69 A HN 0.253 8.002 8.150 -0.369 0.180 0.545 70 L N -6.515 114.569 121.223 -0.231 0.000 2.208 70 L HA 0.362 4.600 4.340 -0.170 0.000 0.133 70 L C -1.785 174.837 176.870 -0.414 0.000 1.385 70 L CA 1.061 55.710 54.840 -0.319 0.000 1.030 70 L CB 2.508 44.283 42.059 -0.474 0.000 2.075 70 L HN -0.220 7.660 8.230 -0.309 0.165 0.482 71 T N -5.611 108.509 114.554 -0.724 0.000 2.893 71 T HA 0.095 4.256 4.350 -0.316 0.000 0.337 71 T C -1.840 172.474 174.700 -0.645 0.000 1.587 71 T CA -1.484 60.297 62.100 -0.533 0.000 1.066 71 T CB 1.682 70.301 68.868 -0.415 0.000 1.414 71 T HN -0.550 6.957 8.240 -1.222 0.000 0.488 72 A N 4.206 126.829 122.820 -0.329 0.000 1.808 72 A HA 0.209 4.358 4.320 -0.285 0.000 0.190 72 A C -0.243 177.347 177.584 0.010 0.000 1.822 72 A CA 0.181 52.167 52.037 -0.084 0.000 1.090 72 A CB 1.520 20.710 19.000 0.317 0.000 1.004 72 A HN 0.308 8.262 8.150 -0.327 0.000 0.602 73 E N -3.506 116.606 120.200 -0.146 0.000 4.724 73 E HA -0.377 3.830 4.350 -0.239 0.000 0.169 73 E C -0.028 176.604 176.600 0.053 0.000 1.223 73 E CA 2.328 58.661 56.400 -0.112 0.000 2.386 73 E CB -0.958 28.692 29.700 -0.083 0.000 1.790 73 E HN 0.605 8.740 8.360 -0.375 0.000 0.449 74 T N 1.162 115.824 114.554 0.180 0.000 2.928 74 T HA 0.275 4.721 4.350 0.160 0.000 0.296 74 T C -1.970 172.947 174.700 0.361 0.000 1.000 74 T CA -0.341 61.886 62.100 0.212 0.000 0.989 74 T CB 1.885 70.845 68.868 0.153 0.000 1.005 74 T HN 0.026 8.323 8.240 0.221 0.076 0.442 75 A N 5.447 128.387 122.820 0.201 0.000 2.386 75 A HA 0.516 4.680 4.320 -0.259 0.000 0.308 75 A C -1.870 175.612 177.584 -0.170 0.000 1.128 75 A CA -2.131 49.875 52.037 -0.052 0.000 0.789 75 A CB 1.194 20.224 19.000 0.051 0.000 1.325 75 A HN 0.260 8.500 8.150 0.149 0.000 0.437 76 P HA 0.018 4.364 4.420 -0.124 0.000 0.244 76 P C -0.238 177.009 177.300 -0.089 0.000 1.211 76 P CA 1.401 64.391 63.100 -0.183 0.000 0.760 76 P CB 0.509 32.080 31.700 -0.215 0.000 0.961 77 A N -2.208 120.589 122.820 -0.039 0.000 3.413 77 A HA -0.274 4.072 4.320 0.044 0.000 0.268 77 A C 0.903 178.472 177.584 -0.025 0.000 1.128 77 A CA 2.386 54.424 52.037 0.002 0.000 1.062 77 A CB -2.376 16.621 19.000 -0.005 0.000 1.121 77 A HN 0.286 8.283 8.150 -0.044 0.127 0.895 78 R N -3.807 116.637 120.500 -0.094 0.000 2.356 78 R HA 0.050 4.296 4.340 -0.157 0.000 0.234 78 R C -0.259 175.816 176.300 -0.374 0.000 0.929 78 R CA 1.148 57.108 56.100 -0.234 0.000 1.084 78 R CB -0.102 30.001 30.300 -0.329 0.000 1.105 78 R HN 0.206 8.321 8.270 -0.087 0.103 0.515 79 Y N -0.728 119.555 120.300 -0.029 0.000 2.891 79 Y HA 0.079 4.666 4.550 0.062 0.000 0.228 79 Y C 1.057 177.008 175.900 0.086 0.000 1.000 79 Y CA 1.034 59.172 58.100 0.063 0.000 1.491 79 Y CB 0.263 38.811 38.460 0.146 0.000 1.394 79 Y HN -0.372 7.868 8.280 0.109 0.105 0.477 80 A N -3.592 119.394 122.820 0.276 0.000 1.282 80 A HA -0.492 3.926 4.320 0.164 0.000 0.226 80 A C 1.854 179.542 177.584 0.173 0.000 0.465 80 A CA 2.253 54.394 52.037 0.173 0.000 1.095 80 A CB -1.958 17.099 19.000 0.096 0.000 1.470 80 A HN 0.187 8.533 8.150 0.327 0.000 0.723 81 Q N -0.181 119.718 119.800 0.165 0.000 2.170 81 Q HA -0.200 4.201 4.340 0.101 0.000 0.203 81 Q C 1.677 177.826 176.000 0.249 0.000 0.976 81 Q CA 2.358 58.250 55.803 0.149 0.000 0.858 81 Q CB 0.296 29.092 28.738 0.097 0.000 0.907 81 Q HN 0.171 8.476 8.270 0.145 0.052 0.433 82 Y N -3.375 117.021 120.300 0.160 0.000 2.470 82 Y HA -0.031 4.586 4.550 0.112 0.000 0.284 82 Y C -0.584 175.418 175.900 0.171 0.000 1.188 82 Y CA -1.415 56.793 58.100 0.181 0.000 1.269 82 Y CB -0.843 37.804 38.460 0.311 0.000 1.094 82 Y HN -0.049 8.475 8.280 0.447 0.024 0.518 83 D N -1.316 119.193 120.400 0.181 0.000 2.501 83 D HA 0.217 4.930 4.640 0.122 0.000 0.224 83 D C -1.573 174.605 176.300 -0.203 0.000 1.202 83 D CA -1.124 52.936 54.000 0.101 0.000 0.829 83 D CB 0.699 41.653 40.800 0.256 0.000 1.023 83 D HN -0.454 7.820 8.370 0.203 0.218 0.499 84 R N -2.042 118.350 120.500 -0.179 0.000 2.744 84 R HA 0.514 4.629 4.340 -0.375 0.000 0.279 84 R C -2.600 173.601 176.300 -0.166 0.000 0.977 84 R CA -3.606 52.364 56.100 -0.216 0.000 0.906 84 R CB 1.296 31.561 30.300 -0.057 0.000 1.197 84 R HN -0.775 7.386 8.270 -0.053 0.077 0.463 85 P HA 0.117 4.669 4.420 -0.018 -0.143 0.273 85 P C -1.469 175.891 177.300 0.101 0.000 1.319 85 P CA -0.506 62.583 63.100 -0.019 0.000 0.885 85 P CB -0.351 31.328 31.700 -0.035 0.000 1.015 86 I N 6.796 127.445 120.570 0.131 0.000 2.315 86 I HA 0.027 4.255 4.170 0.097 0.000 0.291 86 I C -0.827 175.361 176.117 0.119 0.000 1.006 86 I CA -0.773 60.607 61.300 0.132 0.000 1.265 86 I CB 1.465 39.540 38.000 0.125 0.000 1.387 86 I HN 0.417 8.625 8.210 0.145 0.089 0.475 87 V N 9.313 129.209 119.914 -0.030 0.000 2.583 87 V HA 0.561 4.621 4.120 -0.466 -0.219 0.287 87 V C -0.997 175.035 176.094 -0.103 0.000 1.051 87 V CA -0.945 61.174 62.300 -0.302 0.000 1.010 87 V CB 1.598 33.091 31.823 -0.550 0.000 0.988 87 V HN 0.284 8.480 8.190 0.011 0.000 0.478 88 A N 8.013 130.777 122.820 -0.095 0.000 2.594 88 A HA 0.471 4.774 4.320 -0.028 0.000 0.295 88 A C -2.733 174.833 177.584 -0.031 0.000 1.071 88 A CA -0.807 51.240 52.037 0.017 0.000 0.685 88 A CB 3.397 22.541 19.000 0.240 0.000 1.285 88 A HN 0.770 8.789 8.150 -0.219 0.000 0.405 89 R N 1.835 122.285 120.500 -0.084 0.000 2.404 89 R HA 0.732 5.152 4.340 -0.223 -0.214 0.291 89 R C -1.201 174.934 176.300 -0.276 0.000 1.025 89 R CA -0.543 55.450 56.100 -0.179 0.000 0.991 89 R CB 1.231 31.439 30.300 -0.153 0.000 1.053 89 R HN 0.181 8.397 8.270 -0.090 0.000 0.479 90 H N 2.907 121.616 119.070 -0.603 0.000 2.851 90 H HA 0.320 4.688 4.556 -0.315 0.000 0.372 90 H C -1.206 173.815 175.328 -0.511 0.000 1.158 90 H CA -0.891 54.817 56.048 -0.567 0.000 1.159 90 H CB 4.955 34.320 29.762 -0.663 0.000 1.757 90 H HN 0.961 8.748 8.280 -0.638 0.110 0.546 91 T N 4.579 119.065 114.554 -0.113 0.000 2.832 91 T HA 0.403 4.991 4.350 0.038 -0.215 0.296 91 T C -0.590 174.229 174.700 0.198 0.000 0.968 91 T CA 0.905 63.024 62.100 0.032 0.000 1.107 91 T CB 0.645 69.526 68.868 0.022 0.000 0.916 91 T HN 0.420 8.588 8.240 -0.119 0.000 0.517 92 L N 3.047 124.452 121.223 0.304 0.000 2.307 92 L HA 0.486 5.042 4.340 0.359 0.000 0.282 92 L C -1.540 175.449 176.870 0.198 0.000 1.051 92 L CA -1.012 54.023 54.840 0.325 0.000 0.804 92 L CB 1.131 43.391 42.059 0.335 0.000 1.197 92 L HN -0.003 8.398 8.230 0.285 0.000 0.431 93 L N 2.229 123.559 121.223 0.178 0.000 2.117 93 L HA 0.068 4.476 4.340 0.113 0.000 0.200 93 L C -0.417 176.529 176.870 0.127 0.000 1.110 93 L CA 1.309 56.228 54.840 0.132 0.000 0.774 93 L CB 1.143 43.273 42.059 0.118 0.000 0.934 93 L HN 0.652 8.888 8.230 0.204 0.117 0.456 94 R N -4.018 116.568 120.500 0.145 0.000 2.795 94 R HA 0.253 4.665 4.340 0.120 0.000 0.275 94 R C -2.146 174.264 176.300 0.184 0.000 0.981 94 R CA -1.232 54.951 56.100 0.138 0.000 0.917 94 R CB 2.649 33.019 30.300 0.116 0.000 1.202 94 R HN -0.649 7.718 8.270 0.162 0.000 0.469 95 C N 2.689 122.093 119.300 0.174 0.000 2.949 95 C HA 0.358 5.025 4.460 0.345 0.000 0.306 95 C C -0.633 174.438 174.990 0.134 0.000 1.045 95 C CA -0.958 58.211 59.018 0.252 0.000 1.414 95 C CB 0.605 28.517 27.740 0.287 0.000 1.854 95 C HN 0.691 9.001 8.230 0.132 0.000 0.487 96 E N 4.479 124.709 120.200 0.051 0.000 2.376 96 E HA 0.432 4.740 4.350 -0.071 0.000 0.236 96 E C -2.101 174.316 176.600 -0.306 0.000 0.962 96 E CA -2.753 53.598 56.400 -0.081 0.000 0.768 96 E CB 0.700 30.385 29.700 -0.025 0.000 1.236 96 E HN 0.758 9.188 8.360 0.117 0.000 0.431 97 P HA 0.356 3.969 4.420 -1.442 -0.058 0.288 97 P C -2.429 174.539 177.300 -0.554 0.000 1.267 97 P CA -2.179 60.310 63.100 -1.018 0.000 0.815 97 P CB -0.317 30.644 31.700 -1.232 0.000 0.989 98 P HA 0.298 4.032 4.420 -1.143 0.000 0.285 98 P C -1.913 175.221 177.300 -0.275 0.000 1.448 98 P CA -0.276 62.467 63.100 -0.594 0.000 0.953 98 P CB 1.466 32.955 31.700 -0.352 0.000 1.175 99 R N 0.766 121.127 120.500 -0.231 0.000 5.266 99 R HA 0.196 4.536 4.340 -0.000 0.000 0.074 99 R C -1.862 174.489 176.300 0.085 0.000 0.697 99 R CA -0.180 55.897 56.100 -0.039 0.000 1.217 99 R CB 2.998 33.270 30.300 -0.047 0.000 1.389 99 R HN -0.045 7.984 8.270 -0.403 0.000 0.392 100 V N -0.776 119.192 119.914 0.090 0.000 2.709 100 V HA 0.813 5.271 4.120 0.268 -0.177 0.308 100 V C -2.177 174.094 176.094 0.294 0.000 1.062 100 V CA -1.280 61.142 62.300 0.204 0.000 0.901 100 V CB 3.307 35.213 31.823 0.137 0.000 1.003 100 V HN -0.248 7.940 8.190 -0.003 0.000 0.425 101 L N 3.490 124.965 121.223 0.420 0.000 2.409 101 L HA 0.982 5.685 4.340 0.348 -0.153 0.262 101 L C -2.840 174.252 176.870 0.371 0.000 0.992 101 L CA -1.669 53.427 54.840 0.428 0.000 0.817 101 L CB 4.591 46.976 42.059 0.544 0.000 1.350 101 L HN 0.695 9.194 8.230 0.449 0.000 0.411 102 A N -0.169 122.823 122.820 0.287 0.000 2.486 102 A HA 1.206 5.866 4.320 0.229 -0.202 0.300 102 A C -2.054 175.666 177.584 0.227 0.000 1.048 102 A CA -1.413 50.759 52.037 0.225 0.000 0.696 102 A CB 3.562 22.653 19.000 0.151 0.000 1.278 102 A HN 0.985 9.192 8.150 0.267 0.103 0.405 103 L N -3.998 117.350 121.223 0.209 0.000 2.389 103 L HA 0.791 5.367 4.340 0.256 -0.082 0.249 103 L C -1.926 175.050 176.870 0.177 0.000 1.083 103 L CA -1.339 53.652 54.840 0.252 0.000 0.876 103 L CB 3.614 45.903 42.059 0.384 0.000 1.489 103 L HN 0.821 9.141 8.230 0.151 0.000 0.412 104 T N -1.828 112.858 114.554 0.220 0.000 2.855 104 T HA 0.291 4.791 4.350 0.119 -0.079 0.281 104 T C -1.035 173.895 174.700 0.384 0.000 1.007 104 T CA -1.385 60.835 62.100 0.200 0.000 1.009 104 T CB 1.867 70.810 68.868 0.125 0.000 0.983 104 T HN -0.112 8.282 8.240 0.257 0.000 0.455 105 W N 6.684 128.005 121.300 0.034 0.000 2.380 105 W HA 0.235 4.907 4.660 0.021 0.000 0.441 105 W C -0.775 175.904 176.519 0.268 0.000 1.762 105 W CA -1.268 56.107 57.345 0.051 0.000 1.905 105 W CB 3.043 32.415 29.460 -0.146 0.000 1.624 105 W HN 0.971 9.211 8.180 0.296 0.118 0.717 106 G N -1.538 107.077 108.800 -0.308 0.000 2.335 106 G HA2 -0.172 3.811 3.960 0.038 0.000 0.268 106 G HA3 -0.172 3.504 3.960 -0.474 0.000 0.268 106 G C -0.061 174.817 174.900 -0.037 0.000 1.228 106 G CA 0.069 45.055 45.100 -0.190 0.000 0.968 106 G HN 0.107 7.518 8.290 -1.464 0.000 0.459 107 G N 3.540 112.319 108.800 -0.035 0.000 3.343 107 G HA2 0.081 4.068 3.960 0.045 0.000 0.264 107 G HA3 0.081 4.032 3.960 -0.015 0.000 0.264 107 G C -0.530 174.357 174.900 -0.021 0.000 0.884 107 G CA -0.924 44.173 45.100 -0.005 0.000 1.916 107 G HN 0.199 8.444 8.290 -0.076 0.000 0.618 108 G N 1.157 109.946 108.800 -0.019 0.000 2.430 108 G HA2 -0.087 3.865 3.960 -0.013 0.000 0.216 108 G HA3 -0.087 3.876 3.960 0.005 0.000 0.216 108 G C -0.719 174.211 174.900 0.050 0.000 1.146 108 G CA 0.089 45.194 45.100 0.008 0.000 0.793 108 G HN -0.442 7.884 8.290 -0.012 -0.043 0.537 109 A N 0.293 123.098 122.820 -0.024 0.000 2.296 109 A HA 0.303 4.516 4.320 -0.353 -0.106 0.264 109 A C 0.292 177.851 177.584 -0.042 0.000 1.097 109 A CA -0.706 51.262 52.037 -0.115 0.000 0.811 109 A CB 1.019 19.995 19.000 -0.039 0.000 1.072 109 A HN -0.816 7.335 8.150 0.002 0.000 0.495 110 G N -1.666 107.059 108.800 -0.124 0.000 2.699 110 G HA2 -0.047 3.882 3.960 -0.051 0.000 0.246 110 G HA3 -0.047 3.636 3.960 -0.462 0.000 0.246 110 G C -0.988 173.937 174.900 0.043 0.000 1.219 110 G CA -0.352 44.666 45.100 -0.137 0.000 0.866 110 G HN -0.146 8.002 8.290 -0.236 0.000 0.572 111 E N -2.546 117.676 120.200 0.037 0.000 6.884 111 E HA -0.364 4.004 4.350 0.030 0.000 0.172 111 E C -1.163 175.464 176.600 0.044 0.000 1.455 111 E CA 0.840 57.271 56.400 0.052 0.000 2.484 111 E CB -0.180 29.571 29.700 0.086 0.000 1.770 111 E HN 0.179 8.543 8.360 0.006 0.000 0.475 112 A N 1.256 124.100 122.820 0.039 0.000 2.407 112 A HA 0.169 4.498 4.320 0.015 0.000 0.248 112 A C -2.255 175.357 177.584 0.047 0.000 1.082 112 A CA -1.039 51.016 52.037 0.030 0.000 0.785 112 A CB -0.083 18.932 19.000 0.025 0.000 1.020 112 A HN 0.040 8.215 8.150 0.040 0.000 0.489 113 P HA -0.079 4.390 4.420 0.082 0.000 0.264 113 P C -0.550 176.819 177.300 0.115 0.000 1.193 113 P CA -0.008 63.133 63.100 0.069 0.000 0.763 113 P CB 0.259 31.974 31.700 0.025 0.000 0.810 114 S N 3.787 119.600 115.700 0.188 0.000 2.593 114 S HA -0.087 4.477 4.470 0.156 0.000 0.269 114 S C -0.346 174.340 174.600 0.142 0.000 1.334 114 S CA 0.354 58.689 58.200 0.225 0.000 1.015 114 S CB 1.188 64.617 63.200 0.382 0.000 0.912 114 S HN 0.343 8.780 8.310 0.211 0.000 0.541 115 E N -1.056 119.150 120.200 0.010 0.000 2.232 115 E HA 0.397 4.790 4.350 -0.041 -0.068 0.264 115 E C -1.123 175.225 176.600 -0.420 0.000 0.973 115 E CA -1.838 54.498 56.400 -0.106 0.000 0.849 115 E CB 2.433 32.129 29.700 -0.007 0.000 1.198 115 E HN 0.205 8.503 8.360 0.069 0.103 0.407 116 V N 0.047 119.756 119.914 -0.342 0.000 2.443 116 V HA 0.148 3.939 4.120 -0.549 0.000 0.293 116 V C -1.864 174.101 176.094 -0.216 0.000 1.021 116 V CA -0.538 61.492 62.300 -0.450 0.000 0.848 116 V CB 2.451 33.923 31.823 -0.586 0.000 0.998 116 V HN 1.097 9.080 8.190 -0.145 0.120 0.424 117 L N 7.125 128.237 121.223 -0.185 0.000 2.265 117 L HA 0.447 4.809 4.340 0.038 0.000 0.289 117 L C -1.922 174.878 176.870 -0.117 0.000 1.033 117 L CA -1.330 53.478 54.840 -0.053 0.000 0.814 117 L CB 1.229 43.298 42.059 0.018 0.000 1.203 117 L HN 1.018 9.029 8.230 -0.182 0.110 0.423 118 F N 5.852 125.911 119.950 0.182 0.000 2.385 118 F HA 0.254 4.899 4.527 0.197 0.000 0.360 118 F C -0.903 175.006 175.800 0.183 0.000 1.122 118 F CA -1.015 57.105 58.000 0.200 0.000 1.090 118 F CB 1.132 40.270 39.000 0.231 0.000 1.150 118 F HN 1.129 9.613 8.300 0.306 0.000 0.472 119 E N 3.993 124.381 120.200 0.313 0.000 2.220 119 E HA 0.409 4.892 4.350 0.221 0.000 0.256 119 E C -1.517 175.198 176.600 0.191 0.000 0.881 119 E CA -1.003 55.527 56.400 0.216 0.000 0.766 119 E CB 2.286 32.072 29.700 0.143 0.000 1.187 119 E HN 0.500 9.040 8.360 0.301 0.000 0.419 120 L N 6.338 127.670 121.223 0.180 0.000 2.295 120 L HA 0.793 5.422 4.340 0.128 -0.212 0.285 120 L C -0.533 176.388 176.870 0.085 0.000 1.035 120 L CA -1.301 53.621 54.840 0.137 0.000 0.806 120 L CB 1.760 43.913 42.059 0.157 0.000 1.214 120 L HN 0.656 9.002 8.230 0.193 0.000 0.426 121 S N 2.913 118.650 115.700 0.062 0.000 2.482 121 S HA 0.301 4.792 4.470 0.035 0.000 0.303 121 S C -1.760 172.856 174.600 0.026 0.000 1.091 121 S CA -1.790 56.433 58.200 0.039 0.000 1.057 121 S CB 2.018 65.238 63.200 0.033 0.000 1.031 121 S HN 0.895 9.129 8.310 0.064 0.114 0.485 122 E N 2.150 122.360 120.200 0.016 0.000 2.133 122 E HA 0.455 4.909 4.350 0.010 -0.097 0.274 122 E C -1.275 175.327 176.600 0.003 0.000 0.930 122 E CA -1.492 54.914 56.400 0.009 0.000 0.770 122 E CB 1.468 31.171 29.700 0.005 0.000 1.104 122 E HN 0.114 8.482 8.360 0.014 0.000 0.403 123 A N 5.233 128.053 122.820 -0.000 0.000 2.517 123 A HA 0.276 4.595 4.320 -0.001 0.000 0.280 123 A C 0.290 177.871 177.584 -0.005 0.000 1.353 123 A CA -0.848 51.188 52.037 -0.003 0.000 0.907 123 A CB 1.197 20.194 19.000 -0.005 0.000 1.495 123 A HN 0.876 8.923 8.150 -0.001 0.103 0.506 124 G N -4.911 103.886 108.800 -0.006 0.000 2.882 124 G HA2 -0.141 3.816 3.960 -0.006 0.000 0.206 124 G HA3 -0.141 3.815 3.960 -0.006 0.000 0.206 124 G C -0.554 174.341 174.900 -0.008 0.000 1.155 124 G CA 1.058 46.154 45.100 -0.007 0.000 0.800 124 G HN 0.215 8.502 8.290 -0.006 0.000 0.524 125 E N -3.480 116.714 120.200 -0.011 0.000 1.669 125 E HA -0.075 4.268 4.350 -0.012 0.000 0.205 125 E C -2.352 174.236 176.600 -0.020 0.000 0.997 125 E CA 0.358 56.749 56.400 -0.014 0.000 1.175 125 E CB 0.152 29.842 29.700 -0.016 0.000 4.216 125 E HN -0.102 8.140 8.360 -0.011 0.112 0.831 126 Q N -2.309 117.479 119.800 -0.021 0.000 2.712 126 Q HA 0.518 4.915 4.340 -0.037 -0.079 0.267 126 Q C -1.891 174.097 176.000 -0.020 0.000 1.062 126 Q CA -1.568 54.218 55.803 -0.029 0.000 0.888 126 Q CB 3.991 32.708 28.738 -0.035 0.000 1.374 126 Q HN -0.625 7.635 8.270 -0.016 0.000 0.498 127 V N -1.574 118.324 119.914 -0.026 0.000 2.656 127 V HA 0.657 4.906 4.120 0.001 -0.128 0.307 127 V C -2.407 173.682 176.094 -0.008 0.000 1.051 127 V CA -2.832 59.462 62.300 -0.009 0.000 0.893 127 V CB 3.343 35.164 31.823 -0.002 0.000 0.999 127 V HN 0.666 8.830 8.190 -0.042 0.000 0.426 128 R N 6.664 127.171 120.500 0.011 0.000 2.254 128 R HA 0.464 4.961 4.340 0.009 -0.152 0.318 128 R C -1.517 174.810 176.300 0.044 0.000 1.031 128 R CA -0.822 55.290 56.100 0.020 0.000 0.905 128 R CB 1.286 31.600 30.300 0.024 0.000 1.050 128 R HN 0.950 9.123 8.270 0.016 0.107 0.456 129 L N 6.290 127.541 121.223 0.047 0.000 2.287 129 L HA 0.489 5.025 4.340 0.120 -0.124 0.287 129 L C -2.420 174.519 176.870 0.116 0.000 1.022 129 L CA -0.945 53.950 54.840 0.092 0.000 0.814 129 L CB 2.878 44.977 42.059 0.067 0.000 1.217 129 L HN 1.023 9.161 8.230 0.026 0.108 0.420 130 V N 8.011 128.013 119.914 0.147 0.000 2.313 130 V HA 0.314 4.678 4.120 0.130 -0.166 0.278 130 V C -1.719 174.475 176.094 0.166 0.000 1.017 130 V CA -1.191 61.192 62.300 0.137 0.000 0.823 130 V CB 1.033 32.916 31.823 0.101 0.000 1.010 130 V HN 0.935 9.224 8.190 0.165 0.000 0.443 131 L N 9.864 131.193 121.223 0.177 0.000 2.283 131 L HA 0.396 4.885 4.340 0.030 -0.131 0.287 131 L C -1.447 175.503 176.870 0.134 0.000 1.073 131 L CA -0.816 54.101 54.840 0.129 0.000 0.822 131 L CB 1.338 43.499 42.059 0.171 0.000 1.186 131 L HN 1.092 9.338 8.230 0.197 0.102 0.436 132 T N 10.803 125.393 114.554 0.059 0.000 2.963 132 T HA 0.507 5.166 4.350 0.125 -0.234 0.343 132 T C -1.246 173.510 174.700 0.093 0.000 1.146 132 T CA -1.063 61.090 62.100 0.089 0.000 1.016 132 T CB -0.140 68.765 68.868 0.061 0.000 1.046 132 T HN 0.920 9.145 8.240 -0.025 0.000 0.496 133 H N 9.564 128.691 119.070 0.095 0.000 2.846 133 H HA 0.268 4.936 4.556 0.001 -0.111 0.278 133 H C -0.131 175.231 175.328 0.057 0.000 1.117 133 H CA -0.945 55.145 56.048 0.070 0.000 1.406 133 H CB 0.563 30.419 29.762 0.157 0.000 1.445 133 H HN 0.421 8.783 8.280 0.317 0.108 0.469 134 T N 4.285 118.921 114.554 0.137 0.000 2.897 134 T HA 0.313 4.744 4.350 0.135 0.000 0.278 134 T C -0.035 174.765 174.700 0.167 0.000 0.981 134 T CA -1.703 60.475 62.100 0.129 0.000 0.973 134 T CB 1.703 70.606 68.868 0.059 0.000 1.092 134 T HN 0.356 8.483 8.240 -0.039 0.090 0.543 135 R N -2.069 118.502 120.500 0.117 0.000 3.878 135 R HA -0.401 3.985 4.340 0.076 0.000 0.330 135 R C -1.336 175.039 176.300 0.124 0.000 1.186 135 R CA 0.858 57.020 56.100 0.104 0.000 0.885 135 R CB -1.091 29.265 30.300 0.092 0.000 1.377 135 R HN 0.486 8.813 8.270 0.094 0.000 0.523 136 L N -1.834 119.468 121.223 0.132 0.000 2.360 136 L HA 0.039 4.444 4.340 0.108 0.000 0.276 136 L C 0.307 177.210 176.870 0.055 0.000 1.121 136 L CA -0.177 54.722 54.840 0.098 0.000 0.845 136 L CB 0.143 42.249 42.059 0.078 0.000 1.143 136 L HN -0.219 8.053 8.230 0.137 0.041 0.452 137 A N 3.510 126.353 122.820 0.039 0.000 1.930 137 A HA -0.143 4.177 4.320 0.001 0.000 0.217 137 A C -0.091 177.479 177.584 -0.023 0.000 1.175 137 A CA 1.825 53.861 52.037 -0.002 0.000 0.627 137 A CB 0.030 19.015 19.000 -0.026 0.000 0.815 137 A HN 0.470 8.652 8.150 0.052 0.000 0.443 138 D N -7.088 113.308 120.400 -0.007 0.000 3.024 138 D HA -0.012 4.627 4.640 -0.001 0.000 0.354 138 D C 0.491 176.804 176.300 0.023 0.000 1.431 138 D CA -0.356 53.641 54.000 -0.005 0.000 0.842 138 D CB 0.334 41.113 40.800 -0.034 0.000 1.437 138 D HN -0.637 7.726 8.370 0.010 0.013 0.507 139 R N 0.185 120.702 120.500 0.029 0.000 2.193 139 R HA -0.181 4.206 4.340 0.078 0.000 0.229 139 R C 1.668 178.028 176.300 0.100 0.000 1.110 139 R CA 2.635 58.773 56.100 0.064 0.000 0.988 139 R CB -0.440 29.885 30.300 0.042 0.000 0.871 139 R HN 0.416 8.693 8.270 0.013 0.000 0.458 140 A N -2.071 120.788 122.820 0.065 0.000 1.933 140 A HA -0.220 4.159 4.320 0.100 0.000 0.218 140 A C 1.270 178.891 177.584 0.061 0.000 1.175 140 A CA 2.780 54.858 52.037 0.070 0.000 0.628 140 A CB -0.865 18.159 19.000 0.040 0.000 0.814 140 A HN 0.229 8.371 8.150 0.036 0.030 0.444 141 A N -1.332 121.516 122.820 0.046 0.000 1.872 141 A HA -0.356 3.981 4.320 0.028 0.000 0.214 141 A C 1.503 179.101 177.584 0.024 0.000 1.187 141 A CA 3.075 55.132 52.037 0.034 0.000 0.614 141 A CB -0.236 18.784 19.000 0.034 0.000 0.826 141 A HN -0.251 7.786 8.150 0.040 0.138 0.442 142 M N -2.933 116.701 119.600 0.058 0.000 2.213 142 M HA -0.372 4.083 4.480 -0.041 0.000 0.263 142 M C 1.866 178.266 176.300 0.168 0.000 1.062 142 M CA 3.328 58.695 55.300 0.113 0.000 1.105 142 M CB -0.284 32.472 32.600 0.260 0.000 1.385 142 M HN -0.733 7.600 8.290 0.073 0.000 0.417 143 L N -0.734 120.615 121.223 0.211 0.000 2.201 143 L HA -0.325 4.100 4.340 0.141 0.000 0.212 143 L C 1.847 178.756 176.870 0.064 0.000 1.105 143 L CA 2.249 57.189 54.840 0.168 0.000 0.775 143 L CB -0.260 41.928 42.059 0.214 0.000 0.913 143 L HN 0.191 8.462 8.230 0.206 0.082 0.440 144 D N -0.950 119.482 120.400 0.054 0.000 2.117 144 D HA -0.220 4.444 4.640 0.040 0.000 0.198 144 D C 2.619 178.953 176.300 0.056 0.000 0.982 144 D CA 3.376 57.401 54.000 0.040 0.000 0.828 144 D CB 0.367 41.182 40.800 0.026 0.000 0.967 144 D HN -0.378 7.875 8.370 0.060 0.153 0.464 145 V N -4.786 115.168 119.914 0.067 0.000 2.871 145 V HA -0.157 4.139 4.120 0.293 0.000 0.256 145 V C 1.089 177.229 176.094 0.076 0.000 1.082 145 V CA 2.505 64.903 62.300 0.165 0.000 1.105 145 V CB 0.020 31.870 31.823 0.044 0.000 0.713 145 V HN -0.196 8.012 8.190 0.029 0.000 0.473 146 A N 0.469 123.197 122.820 -0.154 0.000 2.042 146 A HA -0.271 3.318 4.320 -1.218 0.000 0.222 146 A C 0.620 177.993 177.584 -0.351 0.000 1.167 146 A CA 2.136 53.817 52.037 -0.594 0.000 0.649 146 A CB -0.590 18.110 19.000 -0.499 0.000 0.809 146 A HN -0.158 7.706 8.150 -0.088 0.233 0.457 147 G N -2.912 105.886 108.800 -0.003 0.000 2.924 147 G HA2 -0.207 3.881 3.960 0.214 0.000 0.273 147 G HA3 -0.207 3.857 3.960 0.173 0.000 0.273 147 G C -1.088 174.039 174.900 0.378 0.000 0.734 147 G CA -0.036 45.177 45.100 0.188 0.000 2.065 147 G HN -0.669 7.591 8.290 0.016 0.040 0.580 148 G N 1.444 110.413 108.800 0.282 0.000 2.491 148 G HA2 -0.342 3.859 3.960 0.402 0.000 0.203 148 G HA3 -0.342 3.989 3.960 0.618 0.000 0.203 148 G C 0.147 175.327 174.900 0.466 0.000 1.052 148 G CA -0.256 45.121 45.100 0.462 0.000 0.675 148 G HN 0.172 8.459 8.290 0.093 0.058 0.504 149 W N 3.168 124.576 121.300 0.181 0.000 2.304 149 W HA -0.526 4.302 4.660 0.280 0.000 0.328 149 W C 1.150 177.818 176.519 0.249 0.000 1.242 149 W CA 3.715 61.169 57.345 0.181 0.000 1.243 149 W CB 0.000 29.492 29.460 0.054 0.000 1.170 149 W HN -0.502 7.890 8.180 0.464 0.066 0.460 150 H N -4.128 114.896 119.070 -0.077 0.000 2.353 150 H HA -0.413 3.742 4.556 -0.668 0.000 0.298 150 H C 1.990 177.130 175.328 -0.312 0.000 1.103 150 H CA 2.126 57.954 56.048 -0.366 0.000 1.293 150 H CB -1.264 28.358 29.762 -0.234 0.000 1.372 150 H HN 0.023 8.081 8.280 -0.370 0.000 0.501 151 A N -0.554 122.420 122.820 0.256 0.000 2.076 151 A HA -0.317 3.977 4.320 -0.045 0.000 0.220 151 A C 1.830 179.491 177.584 0.129 0.000 1.160 151 A CA 2.372 54.474 52.037 0.109 0.000 0.653 151 A CB -1.035 18.006 19.000 0.069 0.000 0.801 151 A HN 0.475 8.953 8.150 0.572 0.015 0.455 152 H N -1.419 117.703 119.070 0.088 0.000 2.489 152 H HA -0.247 4.439 4.556 0.218 0.000 0.293 152 H C 1.721 177.053 175.328 0.007 0.000 1.066 152 H CA 2.786 58.908 56.048 0.123 0.000 1.305 152 H CB -0.578 29.287 29.762 0.172 0.000 1.386 152 H HN -0.176 8.125 8.280 0.301 0.159 0.551 153 L N -1.852 118.948 121.223 -0.705 0.000 2.275 153 L HA -0.315 3.520 4.340 -0.841 0.000 0.215 153 L C 1.818 178.477 176.870 -0.352 0.000 1.119 153 L CA 2.058 56.492 54.840 -0.676 0.000 0.790 153 L CB -0.702 40.967 42.059 -0.649 0.000 0.919 153 L HN -0.079 7.655 8.230 -0.573 0.153 0.443 154 A N -0.263 122.427 122.820 -0.216 0.000 1.898 154 A HA -0.177 4.058 4.320 -0.143 0.000 0.214 154 A C 1.922 179.453 177.584 -0.088 0.000 1.183 154 A CA 3.192 55.154 52.037 -0.125 0.000 0.622 154 A CB -0.615 18.346 19.000 -0.066 0.000 0.824 154 A HN -0.074 7.807 8.150 -0.187 0.157 0.444 155 V N -0.762 119.133 119.914 -0.030 0.000 2.427 155 V HA -0.402 3.718 4.120 0.000 0.000 0.248 155 V C 1.829 177.872 176.094 -0.085 0.000 1.051 155 V CA 3.619 65.922 62.300 0.005 0.000 1.048 155 V CB -0.840 31.047 31.823 0.106 0.000 0.666 155 V HN -0.686 7.508 8.190 0.006 0.000 0.456 156 L N -0.111 120.997 121.223 -0.191 0.000 1.971 156 L HA -0.515 3.462 4.340 -0.604 0.000 0.215 156 L C 1.648 178.263 176.870 -0.425 0.000 1.072 156 L CA 3.758 58.326 54.840 -0.453 0.000 0.758 156 L CB -0.778 40.943 42.059 -0.563 0.000 0.889 156 L HN 0.158 8.297 8.230 -0.151 0.000 0.433 157 A N -2.554 120.080 122.820 -0.309 0.000 1.940 157 A HA -0.335 3.806 4.320 -0.298 0.000 0.219 157 A C 2.285 179.755 177.584 -0.189 0.000 1.176 157 A CA 3.137 55.026 52.037 -0.247 0.000 0.631 157 A CB -0.978 17.920 19.000 -0.170 0.000 0.814 157 A HN -0.450 7.529 8.150 -0.284 0.000 0.446 158 G N -1.782 106.939 108.800 -0.132 0.000 2.446 158 G HA2 -0.416 3.535 3.960 -0.016 0.000 0.217 158 G HA3 -0.416 3.522 3.960 -0.037 0.000 0.217 158 G C 1.397 176.246 174.900 -0.084 0.000 1.168 158 G CA 2.127 47.189 45.100 -0.063 0.000 0.771 158 G HN 0.028 8.168 8.290 -0.132 0.071 0.551 159 K N 2.415 122.734 120.400 -0.136 0.000 2.025 159 K HA -0.159 4.154 4.320 -0.012 0.000 0.207 159 K C 3.253 179.697 176.600 -0.261 0.000 1.049 159 K CA 2.465 58.684 56.287 -0.113 0.000 0.933 159 K CB -0.179 32.292 32.500 -0.047 0.000 0.714 159 K HN 0.027 8.180 8.250 -0.162 0.000 0.438 160 L N -2.570 118.337 121.223 -0.526 0.000 2.275 160 L HA -0.285 3.511 4.340 -0.906 0.000 0.215 160 L C 1.137 177.763 176.870 -0.407 0.000 1.119 160 L CA 2.144 56.576 54.840 -0.680 0.000 0.790 160 L CB -0.314 41.274 42.059 -0.785 0.000 0.919 160 L HN 0.401 8.307 8.230 -0.539 0.000 0.443 161 A N -4.658 117.982 122.820 -0.300 0.000 2.072 161 A HA 0.172 4.385 4.320 -0.383 -0.123 0.216 161 A C 0.348 177.752 177.584 -0.301 0.000 1.156 161 A CA 0.649 52.497 52.037 -0.315 0.000 0.701 161 A CB 1.004 19.892 19.000 -0.188 0.000 0.816 161 A HN -0.186 7.780 8.150 -0.265 0.025 0.458 162 G N -2.813 105.900 108.800 -0.145 0.000 2.132 162 G HA2 -0.313 3.693 3.960 -0.011 0.000 0.228 162 G HA3 -0.313 3.595 3.960 -0.086 0.000 0.228 162 G C -0.613 174.318 174.900 0.052 0.000 1.000 162 G CA 0.115 45.184 45.100 -0.051 0.000 0.693 162 G HN -0.295 7.729 8.290 -0.144 0.180 0.515 163 Q N -1.392 118.465 119.800 0.095 0.000 2.576 163 Q HA 0.332 4.777 4.340 0.175 0.000 0.249 163 Q C -1.261 174.786 176.000 0.077 0.000 1.041 163 Q CA -2.311 53.587 55.803 0.160 0.000 0.928 163 Q CB 2.251 31.150 28.738 0.269 0.000 1.302 163 Q HN -0.012 8.283 8.270 0.041 0.000 0.504 164 A N -0.972 121.885 122.820 0.061 0.000 2.351 164 A HA 0.291 4.632 4.320 0.036 0.000 0.257 164 A C -1.462 176.138 177.584 0.027 0.000 1.087 164 A CA -1.752 50.306 52.037 0.036 0.000 0.798 164 A CB -1.427 17.588 19.000 0.025 0.000 1.033 164 A HN 0.357 8.547 8.150 0.065 0.000 0.488 165 P HA 0.290 4.719 4.420 0.015 0.000 0.277 165 P C -1.967 175.345 177.300 0.021 0.000 1.240 165 P CA -1.668 61.443 63.100 0.019 0.000 0.798 165 P CB -0.224 31.485 31.700 0.016 0.000 0.979 166 P HA 0.233 4.665 4.420 0.020 0.000 0.279 166 P C -1.887 175.443 177.300 0.051 0.000 1.276 166 P CA -1.990 61.127 63.100 0.028 0.000 0.801 166 P CB -0.829 30.881 31.700 0.015 0.000 1.127 167 P HA 0.027 4.499 4.420 0.086 0.000 0.260 167 P C -0.089 177.259 177.300 0.080 0.000 1.207 167 P CA -0.183 62.963 63.100 0.077 0.000 0.780 167 P CB -0.016 31.730 31.700 0.077 0.000 0.789 168 F N 6.174 126.055 119.950 -0.116 0.000 2.084 168 F HA -0.292 4.152 4.527 -0.139 0.000 0.296 168 F C 0.549 176.268 175.800 -0.136 0.000 1.111 168 F CA 4.009 61.877 58.000 -0.220 0.000 1.224 168 F CB 0.469 39.189 39.000 -0.466 0.000 0.991 168 F HN -0.093 8.285 8.300 0.131 0.000 0.471 169 W N -4.105 117.204 121.300 0.015 0.000 2.358 169 W HA -0.304 4.229 4.660 -0.212 0.000 0.303 169 W C 1.510 177.989 176.519 -0.068 0.000 1.208 169 W CA 2.518 59.824 57.345 -0.066 0.000 1.274 169 W CB -0.591 28.916 29.460 0.078 0.000 1.138 169 W HN 0.022 8.201 8.180 -0.002 0.000 0.515 170 T N 0.467 115.139 114.554 0.197 0.000 2.684 170 T HA -0.333 4.096 4.350 0.132 0.000 0.267 170 T C 1.943 176.664 174.700 0.034 0.000 1.036 170 T CA 4.724 66.891 62.100 0.111 0.000 1.148 170 T CB -0.911 68.010 68.868 0.088 0.000 0.863 170 T HN -0.228 8.145 8.240 0.221 0.000 0.436 171 T N 4.803 119.336 114.554 -0.035 0.000 2.777 171 T HA -0.291 4.027 4.350 -0.055 0.000 0.266 171 T C 1.556 176.182 174.700 -0.124 0.000 1.040 171 T CA 4.824 66.871 62.100 -0.087 0.000 1.141 171 T CB -0.341 68.462 68.868 -0.108 0.000 0.868 171 T HN -0.476 7.743 8.240 -0.036 0.000 0.444 172 L N 2.059 123.151 121.223 -0.219 0.000 1.970 172 L HA -0.347 3.947 4.340 -0.077 0.000 0.212 172 L C 1.544 178.455 176.870 0.069 0.000 1.071 172 L CA 3.388 58.144 54.840 -0.141 0.000 0.751 172 L CB -0.289 41.551 42.059 -0.365 0.000 0.889 172 L HN 0.472 8.387 8.230 -0.341 0.111 0.432 173 A N -2.581 120.309 122.820 0.117 0.000 1.933 173 A HA -0.392 4.042 4.320 0.190 0.000 0.218 173 A C 2.018 179.665 177.584 0.106 0.000 1.175 173 A CA 2.986 55.115 52.037 0.153 0.000 0.628 173 A CB -0.732 18.369 19.000 0.167 0.000 0.814 173 A HN 0.501 8.609 8.150 0.114 0.111 0.444 174 Q N -0.261 119.578 119.800 0.065 0.000 2.020 174 Q HA -0.344 4.032 4.340 0.061 0.000 0.202 174 Q C 2.311 178.346 176.000 0.058 0.000 0.982 174 Q CA 2.947 58.779 55.803 0.050 0.000 0.838 174 Q CB -0.424 28.326 28.738 0.020 0.000 0.899 174 Q HN -0.076 8.225 8.270 0.051 0.000 0.423 175 A N -1.065 121.758 122.820 0.005 0.000 1.930 175 A HA -0.274 4.087 4.320 0.068 0.000 0.217 175 A C 2.259 179.958 177.584 0.193 0.000 1.175 175 A CA 3.129 55.158 52.037 -0.013 0.000 0.627 175 A CB -0.967 17.722 19.000 -0.518 0.000 0.815 175 A HN -0.026 8.102 8.150 -0.038 0.000 0.443 176 E N -1.289 119.019 120.200 0.180 0.000 2.077 176 E HA -0.382 4.102 4.350 0.224 0.000 0.193 176 E C 2.730 179.461 176.600 0.219 0.000 0.989 176 E CA 3.461 59.991 56.400 0.217 0.000 0.800 176 E CB -0.355 29.461 29.700 0.194 0.000 0.746 176 E HN 0.126 8.385 8.360 0.140 0.185 0.452 177 Q N -1.838 118.062 119.800 0.165 0.000 2.096 177 Q HA -0.314 4.099 4.340 0.123 0.000 0.204 177 Q C 2.569 178.658 176.000 0.149 0.000 0.982 177 Q CA 2.790 58.673 55.803 0.133 0.000 0.850 177 Q CB -0.506 28.289 28.738 0.095 0.000 0.901 177 Q HN 0.221 8.392 8.270 0.144 0.185 0.422 178 D N -0.201 120.306 120.400 0.178 0.000 2.078 178 D HA -0.295 4.401 4.640 0.094 0.000 0.193 178 D C 2.193 178.601 176.300 0.180 0.000 0.990 178 D CA 3.542 57.635 54.000 0.155 0.000 0.827 178 D CB 0.257 41.148 40.800 0.152 0.000 0.975 178 D HN -0.424 7.978 8.370 0.180 0.076 0.451 179 Y N -0.790 119.575 120.300 0.108 0.000 2.128 179 Y HA -0.419 4.197 4.550 0.111 0.000 0.284 179 Y C 2.630 178.589 175.900 0.098 0.000 1.154 179 Y CA 3.271 61.445 58.100 0.124 0.000 1.149 179 Y CB -0.264 38.309 38.460 0.188 0.000 0.976 179 Y HN -0.099 8.585 8.280 0.673 0.000 0.505 180 E N -3.778 116.582 120.200 0.267 0.000 2.265 180 E HA -0.323 4.131 4.350 0.173 0.000 0.196 180 E C 1.445 178.113 176.600 0.112 0.000 0.996 180 E CA 2.358 58.860 56.400 0.170 0.000 0.832 180 E CB -0.278 29.509 29.700 0.145 0.000 0.756 180 E HN -0.104 8.435 8.360 0.299 0.000 0.491 181 Q N -3.006 116.854 119.800 0.099 0.000 2.250 181 Q HA -0.070 4.302 4.340 0.053 0.000 0.200 181 Q C 1.754 177.777 176.000 0.038 0.000 0.941 181 Q CA 1.256 57.094 55.803 0.059 0.000 0.872 181 Q CB 0.447 29.216 28.738 0.051 0.000 0.965 181 Q HN -0.527 7.649 8.270 0.124 0.168 0.480 182 R N -2.001 118.518 120.500 0.031 0.000 2.092 182 R HA -0.153 4.179 4.340 -0.013 0.000 0.226 182 R C 0.368 176.673 176.300 0.008 0.000 1.140 182 R CA 1.709 57.805 56.100 -0.005 0.000 0.910 182 R CB 0.708 30.971 30.300 -0.062 0.000 0.822 182 R HN -0.389 7.802 8.270 0.052 0.111 0.433 183 L N -3.359 117.880 121.223 0.027 0.000 2.666 183 L HA 0.260 4.617 4.340 0.029 0.000 0.259 183 L C -2.472 174.434 176.870 0.061 0.000 0.919 183 L CA 0.100 54.959 54.840 0.031 0.000 0.927 183 L CB 1.545 43.610 42.059 0.011 0.000 1.423 183 L HN -0.739 7.517 8.230 0.042 0.000 0.426 184 L N -1.595 119.666 121.223 0.063 0.000 2.479 184 L HA 0.408 4.806 4.340 0.097 0.000 0.255 184 L C -1.761 175.157 176.870 0.080 0.000 1.026 184 L CA -1.004 53.889 54.840 0.089 0.000 0.842 184 L CB 2.728 44.856 42.059 0.115 0.000 1.444 184 L HN -0.351 7.908 8.230 0.049 0.000 0.409 185 E N -1.486 118.776 120.200 0.103 0.000 2.393 185 E HA 0.055 4.471 4.350 0.110 0.000 0.273 185 E C -1.467 175.262 176.600 0.216 0.000 0.918 185 E CA -0.957 55.514 56.400 0.119 0.000 0.773 185 E CB 3.022 32.758 29.700 0.061 0.000 1.275 185 E HN 0.192 8.619 8.360 0.111 0.000 0.451 186 H N 2.871 121.986 119.070 0.075 0.000 2.482 186 H HA 0.231 4.835 4.556 0.081 0.000 0.231 186 H C -0.906 174.487 175.328 0.107 0.000 1.612 186 H CA -0.607 55.499 56.048 0.097 0.000 1.279 186 H CB -0.494 29.338 29.762 0.117 0.000 1.562 186 H HN 0.341 8.777 8.280 0.260 0.000 0.553 187 H N 5.640 124.632 119.070 -0.131 0.000 2.702 187 H HA 0.258 4.811 4.556 -0.006 0.000 0.252 187 H C -1.947 173.211 175.328 -0.285 0.000 1.493 187 H CA -1.037 54.935 56.048 -0.126 0.000 1.273 187 H CB -0.680 29.027 29.762 -0.092 0.000 1.537 187 H HN 0.363 8.613 8.280 -0.051 0.000 0.547 188 H N 6.746 125.740 119.070 -0.126 0.000 2.638 188 H HA 0.300 4.766 4.556 -0.150 0.000 0.317 188 H C -1.124 174.153 175.328 -0.084 0.000 1.006 188 H CA -0.790 55.176 56.048 -0.137 0.000 1.222 188 H CB 1.322 31.002 29.762 -0.137 0.000 1.419 188 H HN -0.317 7.967 8.280 0.008 0.000 0.489 189 H N 5.938 124.949 119.070 -0.097 0.000 2.691 189 H HA 0.142 4.684 4.556 -0.024 0.000 0.281 189 H C -1.106 174.269 175.328 0.077 0.000 1.121 189 H CA -0.926 55.093 56.048 -0.049 0.000 1.254 189 H CB 0.098 29.781 29.762 -0.131 0.000 1.390 189 H HN 0.349 8.642 8.280 0.022 0.000 0.491 190 H N 7.018 125.938 119.070 -0.251 0.000 2.594 190 H HA 0.163 4.661 4.556 -0.097 0.000 0.304 190 H C 0.014 175.167 175.328 -0.293 0.000 1.068 190 H CA -0.985 54.937 56.048 -0.210 0.000 1.308 190 H CB 0.307 29.950 29.762 -0.199 0.000 1.409 190 H HN 0.540 8.755 8.280 -0.108 0.000 0.460 191 H N 0.000 118.967 119.070 -0.172 0.000 2.539 191 H HA 0.000 4.408 4.556 -0.247 0.000 0.296 191 H CA 0.000 55.908 56.048 -0.234 0.000 1.023 191 H CB 0.000 29.717 29.762 -0.074 0.000 1.292 191 H HN 0.000 8.437 8.280 0.262 0.000 0.496