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 2b0f_1_A DATA FIRST_RESID 1 DATA SEQUENCE GPNTEFALSL LRKNIMTITT SKGEFTGLGI HDRVCVIPTH AQPGDDVLVN DATA SEQUENCE GQKIRVKDKY KLVDPENINL ELTVLTLDRN EKFRDIRGFI SEDLEGVDAT DATA SEQUENCE LVVHSNNFTN TILEVGPVTM AGLINLSSTP TNRMIRYDYA TKTGQCGGVL DATA SEQUENCE CATGKIFGIH VGGNGRQGFS AQLKKQYFVE KQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 1 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 1 G C 0.000 174.904 174.900 0.006 0.000 0.946 1 G CA 0.000 45.100 45.100 0.000 0.000 0.502 2 P HA -0.161 4.272 4.420 0.023 0.000 0.218 2 P C 0.863 178.179 177.300 0.027 0.000 1.148 2 P CA 1.909 65.018 63.100 0.015 0.000 0.822 2 P CB 0.532 32.234 31.700 0.003 0.000 0.784 3 N N -4.150 114.556 118.700 0.010 0.000 2.106 3 N HA -0.276 4.461 4.740 -0.005 0.000 0.188 3 N C 1.457 176.999 175.510 0.054 0.000 1.029 3 N CA 3.527 56.585 53.050 0.014 0.000 0.848 3 N CB -0.427 38.055 38.487 -0.008 0.000 1.007 3 N HN 0.088 8.441 8.380 -0.000 0.027 0.423 4 T N 0.518 115.088 114.554 0.027 0.000 2.951 4 T HA -0.349 4.013 4.350 0.020 0.000 0.268 4 T C 1.233 175.945 174.700 0.020 0.000 1.073 4 T CA 4.308 66.419 62.100 0.019 0.000 1.134 4 T CB -0.763 68.105 68.868 -0.000 0.000 0.884 4 T HN -0.130 8.117 8.240 0.013 0.000 0.479 5 E N 2.524 122.741 120.200 0.028 0.000 2.051 5 E HA -0.319 4.027 4.350 -0.006 0.000 0.192 5 E C 1.725 178.333 176.600 0.013 0.000 0.991 5 E CA 3.064 59.473 56.400 0.016 0.000 0.799 5 E CB -0.286 29.427 29.700 0.023 0.000 0.748 5 E HN -0.092 8.182 8.360 0.030 0.103 0.449 6 F N 0.285 120.172 119.950 -0.106 0.000 2.095 6 F HA -0.418 3.999 4.527 -0.183 0.000 0.298 6 F C 1.184 176.894 175.800 -0.150 0.000 1.104 6 F CA 3.401 61.304 58.000 -0.162 0.000 1.232 6 F CB -0.095 38.785 39.000 -0.200 0.000 0.987 6 F HN -0.201 8.206 8.300 0.177 0.000 0.475 7 A N 0.206 123.057 122.820 0.051 0.000 1.865 7 A HA -0.361 3.937 4.320 -0.036 0.000 0.217 7 A C 1.737 179.247 177.584 -0.124 0.000 1.191 7 A CA 2.984 55.002 52.037 -0.031 0.000 0.623 7 A CB -0.676 18.340 19.000 0.027 0.000 0.826 7 A HN -0.095 8.151 8.150 0.161 0.000 0.444 8 L N -3.046 118.124 121.223 -0.089 0.000 2.275 8 L HA -0.219 4.076 4.340 -0.076 0.000 0.215 8 L C 1.858 178.649 176.870 -0.130 0.000 1.119 8 L CA 2.256 57.044 54.840 -0.087 0.000 0.790 8 L CB -0.425 41.604 42.059 -0.050 0.000 0.919 8 L HN -0.036 8.162 8.230 -0.053 0.000 0.443 9 S N 0.216 115.802 115.700 -0.190 0.000 2.348 9 S HA -0.245 4.132 4.470 -0.154 0.000 0.219 9 S C 2.006 176.429 174.600 -0.296 0.000 1.033 9 S CA 3.560 61.624 58.200 -0.226 0.000 0.974 9 S CB -0.033 63.012 63.200 -0.258 0.000 0.868 9 S HN -0.315 7.741 8.310 -0.196 0.137 0.459 10 L N 2.466 123.408 121.223 -0.469 0.000 2.042 10 L HA -0.295 3.779 4.340 -0.444 0.000 0.210 10 L C 1.531 178.239 176.870 -0.270 0.000 1.076 10 L CA 3.116 57.679 54.840 -0.462 0.000 0.749 10 L CB -0.281 41.393 42.059 -0.642 0.000 0.893 10 L HN 0.367 8.136 8.230 -0.584 0.111 0.432 11 L N -1.955 119.129 121.223 -0.232 0.000 2.013 11 L HA -0.396 3.806 4.340 -0.230 0.000 0.212 11 L C 1.768 178.521 176.870 -0.194 0.000 1.073 11 L CA 3.570 58.287 54.840 -0.204 0.000 0.753 11 L CB -0.261 41.711 42.059 -0.145 0.000 0.890 11 L HN -0.107 7.972 8.230 -0.241 0.007 0.432 12 R N -3.369 117.047 120.500 -0.141 0.000 2.153 12 R HA -0.209 4.078 4.340 -0.088 0.000 0.218 12 R C 1.809 178.064 176.300 -0.074 0.000 1.072 12 R CA 2.602 58.646 56.100 -0.095 0.000 0.990 12 R CB 0.097 30.355 30.300 -0.069 0.000 0.889 12 R HN -0.722 7.461 8.270 -0.145 0.000 0.452 13 K N -1.896 118.450 120.400 -0.090 0.000 2.078 13 K HA -0.089 4.216 4.320 -0.026 0.000 0.203 13 K C 1.341 177.953 176.600 0.020 0.000 1.043 13 K CA 2.559 58.819 56.287 -0.045 0.000 0.960 13 K CB 0.637 33.095 32.500 -0.069 0.000 0.761 13 K HN -0.095 7.987 8.250 -0.132 0.089 0.448 14 N N -5.117 113.574 118.700 -0.015 0.000 2.184 14 N HA 0.233 5.136 4.740 0.272 0.000 0.206 14 N C -1.703 173.785 175.510 -0.036 0.000 1.151 14 N CA -0.353 52.730 53.050 0.056 0.000 0.878 14 N CB 2.325 40.798 38.487 -0.023 0.000 1.014 14 N HN -0.193 8.130 8.380 -0.095 0.000 0.512 15 I N -0.087 120.422 120.570 -0.103 0.000 2.377 15 I HA 0.772 5.107 4.170 -0.141 -0.250 0.293 15 I C -1.303 174.691 176.117 -0.205 0.000 0.987 15 I CA -2.644 58.541 61.300 -0.192 0.000 1.185 15 I CB 0.630 38.439 38.000 -0.318 0.000 1.341 15 I HN -0.814 7.327 8.210 -0.115 0.000 0.455 16 M N 5.200 124.758 119.600 -0.070 0.000 2.413 16 M HA 0.388 4.931 4.480 0.105 0.000 0.287 16 M C -1.820 174.654 176.300 0.290 0.000 1.186 16 M CA -0.746 54.623 55.300 0.114 0.000 0.927 16 M CB 4.276 36.977 32.600 0.168 0.000 1.715 16 M HN -0.020 8.255 8.290 -0.025 0.000 0.478 17 T N 8.057 122.865 114.554 0.422 0.000 2.761 17 T HA -0.029 4.641 4.350 0.271 -0.158 0.287 17 T C -0.479 174.317 174.700 0.159 0.000 0.931 17 T CA 1.661 63.900 62.100 0.233 0.000 1.164 17 T CB -0.139 68.752 68.868 0.039 0.000 0.876 17 T HN 0.365 8.904 8.240 0.500 0.000 0.534 18 I N 10.190 130.861 120.570 0.169 0.000 2.306 18 I HA 0.288 4.707 4.170 0.124 -0.174 0.288 18 I C -0.434 175.776 176.117 0.156 0.000 1.036 18 I CA -1.008 60.380 61.300 0.147 0.000 1.221 18 I CB 0.510 38.594 38.000 0.139 0.000 1.385 18 I HN 0.996 9.327 8.210 0.202 0.000 0.472 19 T N 11.258 125.879 114.554 0.112 0.000 2.743 19 T HA 0.566 5.209 4.350 0.139 -0.209 0.293 19 T C -0.522 174.242 174.700 0.107 0.000 0.945 19 T CA 0.321 62.485 62.100 0.106 0.000 1.030 19 T CB 0.337 69.239 68.868 0.056 0.000 0.912 19 T HN 0.929 9.114 8.240 0.092 0.111 0.483 20 T N 5.886 120.527 114.554 0.144 0.000 2.591 20 T HA 0.368 4.760 4.350 0.071 0.000 0.274 20 T C 1.171 175.934 174.700 0.105 0.000 0.945 20 T CA -2.793 59.367 62.100 0.100 0.000 1.087 20 T CB 1.414 70.320 68.868 0.063 0.000 1.416 20 T HN 0.971 9.230 8.240 0.213 0.109 0.514 21 S N 3.692 119.435 115.700 0.071 0.000 2.374 21 S HA -0.287 4.217 4.470 0.057 0.000 0.227 21 S C 1.016 175.681 174.600 0.109 0.000 1.037 21 S CA 3.320 61.561 58.200 0.068 0.000 1.024 21 S CB -0.050 63.174 63.200 0.040 0.000 0.861 21 S HN 0.531 8.868 8.310 0.045 0.000 0.456 22 K N -0.495 120.012 120.400 0.179 0.000 2.444 22 K HA -0.086 4.339 4.320 0.175 0.000 0.193 22 K C -0.072 176.709 176.600 0.302 0.000 1.024 22 K CA 0.081 56.531 56.287 0.271 0.000 1.077 22 K CB 0.919 33.635 32.500 0.360 0.000 0.833 22 K HN -0.562 7.783 8.250 0.158 0.000 0.517 23 G N -0.866 108.083 108.800 0.247 0.000 2.341 23 G HA2 -0.254 3.735 3.960 0.049 0.000 0.196 23 G HA3 -0.254 3.690 3.960 -0.027 0.000 0.196 23 G C -1.942 173.002 174.900 0.074 0.000 1.231 23 G CA -0.787 44.361 45.100 0.080 0.000 1.155 23 G HN -0.401 7.831 8.290 0.240 0.202 0.529 24 E N 2.226 122.335 120.200 -0.151 0.000 2.229 24 E HA 0.199 4.687 4.350 0.024 -0.124 0.283 24 E C -1.418 174.958 176.600 -0.374 0.000 1.030 24 E CA -0.269 56.047 56.400 -0.140 0.000 0.836 24 E CB 1.088 30.691 29.700 -0.162 0.000 1.068 24 E HN -0.162 8.227 8.360 -0.215 -0.158 0.401 25 F N 2.423 122.378 119.950 0.009 0.000 2.603 25 F HA 0.247 4.792 4.527 0.030 0.000 0.317 25 F C -0.498 175.348 175.800 0.077 0.000 1.066 25 F CA -1.083 56.934 58.000 0.028 0.000 0.941 25 F CB 4.719 43.721 39.000 0.003 0.000 1.291 25 F HN 0.723 9.046 8.300 0.229 0.115 0.472 26 T N 5.316 120.054 114.554 0.306 0.000 2.750 26 T HA -0.048 4.526 4.350 0.373 0.000 0.286 26 T C 0.059 174.871 174.700 0.187 0.000 0.911 26 T CA 1.592 63.855 62.100 0.271 0.000 1.130 26 T CB -0.681 68.322 68.868 0.225 0.000 0.873 26 T HN 0.064 8.503 8.240 0.333 0.000 0.536 27 G N 6.071 114.964 108.800 0.154 0.000 2.391 27 G HA2 0.157 4.142 3.960 0.041 0.000 0.305 27 G HA3 0.157 4.210 3.960 0.063 -0.055 0.305 27 G C -2.383 172.478 174.900 -0.065 0.000 1.072 27 G CA -0.723 44.406 45.100 0.049 0.000 1.016 27 G HN 0.446 8.869 8.290 0.222 0.000 0.418 28 L N 7.531 128.692 121.223 -0.103 0.000 2.302 28 L HA 0.335 4.571 4.340 -0.173 0.000 0.285 28 L C -0.926 175.740 176.870 -0.340 0.000 1.090 28 L CA -1.421 53.313 54.840 -0.175 0.000 0.866 28 L CB 1.218 43.217 42.059 -0.100 0.000 1.244 28 L HN -0.397 7.797 8.230 -0.059 0.000 0.435 29 G N 6.125 114.571 108.800 -0.591 0.000 2.354 29 G HA2 0.070 3.483 3.960 -1.071 0.000 0.266 29 G HA3 0.070 2.819 3.960 -2.019 0.000 0.266 29 G C -0.503 174.117 174.900 -0.467 0.000 1.242 29 G CA -0.208 44.256 45.100 -1.060 0.000 0.923 29 G HN 0.294 8.290 8.290 -0.490 0.000 0.476 30 I N 4.063 124.454 120.570 -0.298 0.000 2.206 30 I HA -0.043 4.057 4.170 -0.116 0.000 0.239 30 I C -0.677 175.522 176.117 0.137 0.000 1.078 30 I CA 1.266 62.521 61.300 -0.075 0.000 1.367 30 I CB 0.512 38.513 38.000 0.002 0.000 1.078 30 I HN 0.259 8.161 8.210 -0.340 0.103 0.413 31 H N -9.208 109.875 119.070 0.023 0.000 3.060 31 H HA 0.253 5.052 4.556 0.156 -0.149 0.330 31 H C -1.083 174.362 175.328 0.195 0.000 1.305 31 H CA -0.919 55.201 56.048 0.119 0.000 1.209 31 H CB 2.028 31.835 29.762 0.075 0.000 1.913 31 H HN -0.662 7.597 8.280 -0.035 0.000 0.534 32 D N 1.877 122.403 120.400 0.210 0.000 4.590 32 D HA -0.523 4.181 4.640 0.107 0.000 0.236 32 D C 0.044 176.422 176.300 0.130 0.000 0.534 32 D CA 3.960 58.026 54.000 0.109 0.000 1.368 32 D CB -0.105 40.722 40.800 0.046 0.000 0.860 32 D HN 0.246 8.785 8.370 0.282 0.000 0.382 33 R N -2.953 117.588 120.500 0.067 0.000 2.566 33 R HA 0.158 4.633 4.340 0.225 0.000 0.388 33 R C -1.502 174.881 176.300 0.139 0.000 0.989 33 R CA -0.375 55.808 56.100 0.139 0.000 1.164 33 R CB 1.202 31.526 30.300 0.039 0.000 1.459 33 R HN -0.435 7.783 8.270 -0.087 0.000 0.553 34 V N 1.118 121.038 119.914 0.011 0.000 2.459 34 V HA 0.485 4.610 4.120 0.009 0.000 0.295 34 V C -2.231 173.784 176.094 -0.132 0.000 1.029 34 V CA -2.101 60.168 62.300 -0.052 0.000 0.874 34 V CB 3.293 35.046 31.823 -0.116 0.000 0.985 34 V HN 0.283 8.429 8.190 -0.073 0.000 0.438 35 C N 7.176 126.405 119.300 -0.119 0.000 2.889 35 C HA 0.792 5.244 4.460 -0.327 -0.188 0.307 35 C C -2.020 172.926 174.990 -0.073 0.000 1.251 35 C CA -3.337 55.543 59.018 -0.230 0.000 1.593 35 C CB 3.884 31.421 27.740 -0.338 0.000 2.104 35 C HN 0.503 8.715 8.230 -0.031 0.000 0.476 36 V N -3.737 116.134 119.914 -0.072 0.000 2.513 36 V HA 0.838 5.152 4.120 0.051 -0.163 0.299 36 V C -1.941 174.150 176.094 -0.005 0.000 1.035 36 V CA -2.675 59.634 62.300 0.016 0.000 0.889 36 V CB 2.057 33.929 31.823 0.082 0.000 0.988 36 V HN 0.785 8.784 8.190 -0.141 0.107 0.440 37 I N 3.694 124.258 120.570 -0.009 0.000 2.722 37 I HA 0.700 4.852 4.170 -0.031 0.000 0.295 37 I C -2.827 173.212 176.117 -0.130 0.000 1.161 37 I CA -3.864 57.398 61.300 -0.063 0.000 1.032 37 I CB 4.767 42.717 38.000 -0.084 0.000 1.244 37 I HN 0.272 8.485 8.210 0.006 0.000 0.421 38 P HA 0.182 4.689 4.420 -0.113 -0.156 0.267 38 P C -0.707 176.378 177.300 -0.358 0.000 1.201 38 P CA 0.225 63.137 63.100 -0.314 0.000 0.775 38 P CB 0.542 31.841 31.700 -0.669 0.000 0.854 39 T N 1.381 115.822 114.554 -0.188 0.000 2.896 39 T HA -0.049 4.216 4.350 -0.143 0.000 0.263 39 T C 2.030 176.650 174.700 -0.133 0.000 1.050 39 T CA 3.352 65.376 62.100 -0.127 0.000 1.140 39 T CB 0.649 69.495 68.868 -0.038 0.000 0.877 39 T HN 0.242 8.645 8.240 -0.069 -0.204 0.457 40 H N 0.899 119.903 119.070 -0.110 0.000 2.545 40 H HA -0.097 4.425 4.556 -0.057 0.000 0.282 40 H C 0.582 175.816 175.328 -0.157 0.000 1.020 40 H CA 2.185 58.183 56.048 -0.083 0.000 1.243 40 H CB -1.161 28.593 29.762 -0.014 0.000 1.377 40 H HN 0.298 8.925 8.280 0.031 -0.328 0.581 41 A N -1.645 120.753 122.820 -0.704 0.000 2.067 41 A HA -0.241 3.512 4.320 -0.945 0.000 0.219 41 A C -1.435 175.941 177.584 -0.347 0.000 1.158 41 A CA 0.425 51.898 52.037 -0.939 0.000 0.661 41 A CB 0.475 18.512 19.000 -1.605 0.000 0.801 41 A HN 0.153 7.632 8.150 -0.820 0.180 0.452 42 Q N -5.920 113.746 119.800 -0.224 0.000 2.451 42 Q HA -0.328 4.018 4.340 -0.086 -0.057 0.334 42 Q C -2.769 173.180 176.000 -0.086 0.000 1.462 42 Q CA -0.820 54.923 55.803 -0.100 0.000 0.876 42 Q CB -2.146 26.574 28.738 -0.031 0.000 1.125 42 Q HN -0.304 7.637 8.270 -0.253 0.177 0.358 43 P HA 0.250 4.644 4.420 -0.044 0.000 0.281 43 P C -0.868 176.415 177.300 -0.028 0.000 1.252 43 P CA -0.724 62.341 63.100 -0.059 0.000 0.778 43 P CB 0.695 32.355 31.700 -0.067 0.000 0.895 44 G N 1.789 110.584 108.800 -0.009 0.000 3.271 44 G HA2 -0.088 3.869 3.960 -0.006 0.000 0.174 44 G HA3 -0.088 3.875 3.960 0.004 0.000 0.174 44 G C -1.287 173.617 174.900 0.006 0.000 1.385 44 G CA -0.680 44.420 45.100 -0.001 0.000 0.979 44 G HN -0.434 7.855 8.290 -0.002 0.000 0.610 45 D N -2.022 118.383 120.400 0.010 0.000 2.271 45 D HA -0.058 4.590 4.640 0.013 0.000 0.206 45 D C -1.485 174.825 176.300 0.017 0.000 0.967 45 D CA 0.897 54.905 54.000 0.013 0.000 0.867 45 D CB 0.535 41.342 40.800 0.012 0.000 0.960 45 D HN 0.154 8.529 8.370 0.010 0.000 0.509 46 D N -4.506 115.905 120.400 0.018 0.000 2.964 46 D HA 0.410 5.197 4.640 0.024 -0.133 0.234 46 D C -1.445 174.871 176.300 0.026 0.000 1.223 46 D CA -1.743 52.270 54.000 0.022 0.000 0.889 46 D CB 3.222 44.034 40.800 0.020 0.000 1.609 46 D HN -0.765 7.615 8.370 0.016 0.000 0.523 47 V N -4.923 115.011 119.914 0.033 0.000 3.001 47 V HA 0.439 4.583 4.120 0.041 0.000 0.314 47 V C -2.086 174.036 176.094 0.047 0.000 1.099 47 V CA -2.649 59.676 62.300 0.042 0.000 0.989 47 V CB 3.410 35.261 31.823 0.047 0.000 1.040 47 V HN 0.737 8.947 8.190 0.034 0.000 0.434 48 L N 1.559 122.814 121.223 0.053 0.000 2.287 48 L HA 0.361 4.897 4.340 0.044 -0.170 0.280 48 L C -0.515 176.394 176.870 0.066 0.000 1.055 48 L CA -0.835 54.035 54.840 0.051 0.000 0.863 48 L CB -0.465 41.620 42.059 0.043 0.000 1.245 48 L HN 0.430 8.695 8.230 0.058 0.000 0.432 49 V N 6.056 126.012 119.914 0.070 0.000 2.339 49 V HA 0.022 4.353 4.120 0.107 -0.147 0.261 49 V C 0.108 176.249 176.094 0.079 0.000 1.058 49 V CA 0.167 62.522 62.300 0.092 0.000 0.897 49 V CB -0.443 31.445 31.823 0.109 0.000 1.052 49 V HN 0.758 8.984 8.190 0.060 0.000 0.480 50 N N 9.059 127.811 118.700 0.086 0.000 2.782 50 N HA -0.341 4.447 4.740 0.080 0.000 0.251 50 N C -0.608 174.929 175.510 0.046 0.000 1.101 50 N CA 1.129 54.222 53.050 0.073 0.000 0.764 50 N CB -0.847 37.684 38.487 0.074 0.000 1.122 50 N HN 1.088 9.427 8.380 0.098 0.100 0.561 51 G N -7.047 101.778 108.800 0.041 0.000 2.258 51 G HA2 -0.499 3.477 3.960 0.026 0.000 0.233 51 G HA3 -0.499 3.475 3.960 0.023 0.000 0.233 51 G C -0.511 174.405 174.900 0.026 0.000 1.006 51 G CA 0.068 45.185 45.100 0.028 0.000 0.620 51 G HN -0.272 8.011 8.290 0.050 0.037 0.511 52 Q N 2.519 122.336 119.800 0.030 0.000 2.296 52 Q HA -0.056 4.295 4.340 0.018 0.000 0.263 52 Q C -0.888 175.128 176.000 0.028 0.000 1.026 52 Q CA -1.014 54.803 55.803 0.024 0.000 0.912 52 Q CB 0.156 28.905 28.738 0.020 0.000 1.198 52 Q HN -0.442 7.659 8.270 0.036 0.191 0.407 53 K N 6.693 127.106 120.400 0.022 0.000 2.336 53 K HA -0.001 4.515 4.320 0.029 -0.179 0.290 53 K C -0.762 175.851 176.600 0.022 0.000 1.067 53 K CA 0.232 56.533 56.287 0.024 0.000 0.962 53 K CB 0.261 32.773 32.500 0.019 0.000 1.008 53 K HN 0.356 8.617 8.250 0.018 0.000 0.467 54 I N 7.697 128.284 120.570 0.028 0.000 2.509 54 I HA 0.307 4.489 4.170 0.020 0.000 0.293 54 I C -2.086 174.048 176.117 0.028 0.000 1.020 54 I CA -1.814 59.502 61.300 0.027 0.000 1.088 54 I CB 3.584 41.604 38.000 0.033 0.000 1.267 54 I HN 0.937 9.167 8.210 0.034 0.000 0.430 55 R N 6.352 126.865 120.500 0.023 0.000 2.500 55 R HA 0.190 4.654 4.340 0.022 -0.110 0.275 55 R C -0.662 175.653 176.300 0.026 0.000 1.051 55 R CA -0.772 55.341 56.100 0.022 0.000 1.088 55 R CB 0.880 31.190 30.300 0.017 0.000 1.063 55 R HN 0.359 8.640 8.270 0.019 0.000 0.511 56 V N 1.141 121.070 119.914 0.026 0.000 2.715 56 V HA -0.182 3.958 4.120 0.035 0.000 0.299 56 V C -0.601 175.510 176.094 0.027 0.000 1.054 56 V CA 0.621 62.938 62.300 0.029 0.000 1.077 56 V CB 1.015 32.854 31.823 0.027 0.000 0.972 56 V HN 0.278 8.382 8.190 0.023 0.100 0.484 57 K N 8.508 128.926 120.400 0.030 0.000 2.214 57 K HA 0.126 4.459 4.320 0.021 0.000 0.201 57 K C -0.852 175.764 176.600 0.028 0.000 1.049 57 K CA 0.336 56.638 56.287 0.026 0.000 0.978 57 K CB 1.839 34.353 32.500 0.024 0.000 0.842 57 K HN 0.458 8.729 8.250 0.036 0.000 0.474 58 D N -2.605 117.816 120.400 0.036 0.000 2.738 58 D HA 0.081 4.749 4.640 0.047 0.000 0.218 58 D C -2.856 173.484 176.300 0.067 0.000 1.345 58 D CA 0.433 54.461 54.000 0.047 0.000 0.943 58 D CB 2.254 43.075 40.800 0.036 0.000 1.514 58 D HN -0.287 8.106 8.370 0.039 0.000 0.585 59 K N 7.146 127.591 120.400 0.075 0.000 2.389 59 K HA 0.406 4.950 4.320 0.080 -0.176 0.261 59 K C -1.655 175.019 176.600 0.123 0.000 1.014 59 K CA -0.979 55.354 56.287 0.077 0.000 0.920 59 K CB 1.278 33.800 32.500 0.036 0.000 1.149 59 K HN 0.060 8.350 8.250 0.067 0.000 0.444 60 Y N 8.810 129.106 120.300 -0.007 0.000 2.345 60 Y HA 0.127 4.667 4.550 -0.016 0.000 0.331 60 Y C -2.033 173.854 175.900 -0.023 0.000 0.959 60 Y CA -1.684 56.407 58.100 -0.014 0.000 1.204 60 Y CB 2.781 41.234 38.460 -0.012 0.000 1.135 60 Y HN 0.843 9.245 8.280 0.203 0.000 0.477 61 K N 8.799 128.987 120.400 -0.353 0.000 2.315 61 K HA -0.122 4.097 4.320 -0.169 0.000 0.291 61 K C -1.159 175.143 176.600 -0.496 0.000 1.074 61 K CA -0.021 56.081 56.287 -0.308 0.000 0.936 61 K CB -0.224 32.142 32.500 -0.223 0.000 1.049 61 K HN 0.518 8.561 8.250 -0.345 0.000 0.471 62 L N 8.083 129.135 121.223 -0.286 0.000 2.385 62 L HA 0.003 4.131 4.340 -0.353 0.000 0.281 62 L C -1.947 174.783 176.870 -0.233 0.000 1.106 62 L CA 0.047 54.742 54.840 -0.242 0.000 0.856 62 L CB 0.341 42.346 42.059 -0.088 0.000 1.186 62 L HN 0.701 8.746 8.230 -0.140 0.101 0.453 63 V N 2.196 121.960 119.914 -0.251 0.000 2.850 63 V HA 0.193 4.316 4.120 -0.170 -0.105 0.315 63 V C -1.102 174.863 176.094 -0.216 0.000 1.064 63 V CA -3.129 59.054 62.300 -0.194 0.000 0.979 63 V CB 2.316 34.045 31.823 -0.157 0.000 1.039 63 V HN -0.397 7.623 8.190 -0.283 0.000 0.452 64 D N 2.002 122.296 120.400 -0.177 0.000 2.372 64 D HA 0.170 4.605 4.640 -0.341 0.000 0.243 64 D C 0.683 176.939 176.300 -0.073 0.000 1.121 64 D CA -1.516 52.382 54.000 -0.171 0.000 0.898 64 D CB 1.978 42.733 40.800 -0.075 0.000 1.202 64 D HN 0.409 8.601 8.370 -0.131 0.100 0.428 65 P HA -0.143 4.296 4.420 0.032 0.000 0.219 65 P C -0.243 177.075 177.300 0.029 0.000 1.144 65 P CA 1.510 64.636 63.100 0.044 0.000 0.806 65 P CB 0.075 31.846 31.700 0.118 0.000 0.771 66 E N -2.595 117.619 120.200 0.024 0.000 2.320 66 E HA -0.005 4.357 4.350 0.020 0.000 0.189 66 E C -0.598 176.002 176.600 -0.000 0.000 1.100 66 E CA -1.156 55.254 56.400 0.017 0.000 1.009 66 E CB -1.467 28.247 29.700 0.024 0.000 1.145 66 E HN -0.352 8.308 8.360 0.027 -0.283 0.454 67 N N -4.440 114.254 118.700 -0.011 0.000 2.678 67 N HA -0.541 4.248 4.740 -0.037 -0.071 0.268 67 N C -1.498 173.994 175.510 -0.029 0.000 1.010 67 N CA 1.113 54.149 53.050 -0.024 0.000 0.784 67 N CB -1.909 36.568 38.487 -0.017 0.000 0.905 67 N HN -0.124 8.107 8.380 -0.008 0.144 0.552 68 I N -4.211 116.337 120.570 -0.037 0.000 2.969 68 I HA 0.178 4.327 4.170 -0.034 0.000 0.307 68 I C -1.542 174.543 176.117 -0.054 0.000 1.149 68 I CA -2.957 58.321 61.300 -0.036 0.000 1.008 68 I CB 4.199 42.187 38.000 -0.021 0.000 1.232 68 I HN -1.025 7.158 8.210 -0.044 0.000 0.435 69 N N 2.785 121.456 118.700 -0.049 0.000 2.412 69 N HA -0.159 4.536 4.740 -0.075 0.000 0.258 69 N C -0.288 175.192 175.510 -0.051 0.000 1.236 69 N CA 1.192 54.209 53.050 -0.055 0.000 0.882 69 N CB 0.604 39.069 38.487 -0.037 0.000 1.066 69 N HN 0.279 8.635 8.380 -0.040 0.000 0.465 70 L N 4.064 125.241 121.223 -0.077 0.000 2.515 70 L HA 0.261 4.577 4.340 -0.039 0.000 0.223 70 L C -0.033 176.829 176.870 -0.013 0.000 1.079 70 L CA -0.812 53.986 54.840 -0.071 0.000 0.857 70 L CB 1.178 43.126 42.059 -0.185 0.000 1.050 70 L HN -0.078 8.093 8.230 -0.100 0.000 0.476 71 E N -5.174 115.014 120.200 -0.019 0.000 4.047 71 E HA -0.284 4.169 4.350 0.011 -0.096 0.340 71 E C -1.130 175.488 176.600 0.030 0.000 0.720 71 E CA 1.199 57.614 56.400 0.025 0.000 1.320 71 E CB -1.065 28.684 29.700 0.082 0.000 1.685 71 E HN -0.504 7.917 8.360 -0.056 -0.094 0.416 72 L N 0.405 121.636 121.223 0.014 0.000 2.259 72 L HA 0.292 4.670 4.340 0.064 0.000 0.288 72 L C -0.773 176.109 176.870 0.020 0.000 1.051 72 L CA -1.458 53.415 54.840 0.054 0.000 0.824 72 L CB -0.872 41.270 42.059 0.138 0.000 1.206 72 L HN -0.684 7.481 8.230 -0.023 0.051 0.429 73 T N 8.237 122.791 114.554 0.001 0.000 2.739 73 T HA 0.050 4.507 4.350 -0.026 -0.122 0.298 73 T C -0.213 174.517 174.700 0.050 0.000 0.929 73 T CA 0.731 62.826 62.100 -0.008 0.000 1.014 73 T CB -0.227 68.609 68.868 -0.053 0.000 0.914 73 T HN 0.595 8.827 8.240 -0.014 0.000 0.509 74 V N 9.486 129.466 119.914 0.110 0.000 2.390 74 V HA -0.233 3.980 4.120 0.155 0.000 0.260 74 V C -1.729 174.430 176.094 0.108 0.000 1.043 74 V CA 0.709 63.102 62.300 0.155 0.000 1.047 74 V CB -0.340 31.627 31.823 0.239 0.000 1.066 74 V HN 1.115 9.281 8.190 0.109 0.089 0.481 75 L N 10.530 131.792 121.223 0.066 0.000 2.270 75 L HA 0.478 4.850 4.340 0.054 0.000 0.286 75 L C -1.675 175.225 176.870 0.051 0.000 1.059 75 L CA -1.672 53.197 54.840 0.048 0.000 0.839 75 L CB 1.334 43.409 42.059 0.027 0.000 1.221 75 L HN 0.882 9.147 8.230 0.058 0.000 0.431 76 T N 11.312 125.898 114.554 0.054 0.000 2.744 76 T HA 0.420 4.949 4.350 0.048 -0.150 0.291 76 T C -1.319 173.412 174.700 0.051 0.000 0.957 76 T CA 0.684 62.812 62.100 0.047 0.000 1.002 76 T CB 0.494 69.380 68.868 0.031 0.000 0.919 76 T HN 1.042 9.318 8.240 0.060 0.000 0.468 77 L N 4.525 125.789 121.223 0.068 0.000 2.323 77 L HA 0.399 4.767 4.340 0.046 0.000 0.265 77 L C -0.771 176.125 176.870 0.043 0.000 1.012 77 L CA -2.227 52.649 54.840 0.060 0.000 0.820 77 L CB 2.464 44.571 42.059 0.080 0.000 1.334 77 L HN 0.219 8.502 8.230 0.089 0.000 0.427 78 D N 1.227 121.642 120.400 0.026 0.000 2.508 78 D HA -0.052 4.594 4.640 0.010 0.000 0.224 78 D C -0.936 175.362 176.300 -0.002 0.000 1.171 78 D CA 0.144 54.151 54.000 0.010 0.000 1.006 78 D CB -0.086 40.717 40.800 0.006 0.000 1.073 78 D HN 0.510 8.896 8.370 0.025 0.000 0.513 79 R N 4.327 124.823 120.500 -0.007 0.000 2.296 79 R HA 0.010 4.317 4.340 -0.055 0.000 0.323 79 R C -0.030 176.215 176.300 -0.091 0.000 1.067 79 R CA -0.423 55.641 56.100 -0.061 0.000 0.946 79 R CB -0.031 30.216 30.300 -0.088 0.000 0.991 79 R HN -0.340 7.914 8.270 0.009 0.021 0.448 80 N N 5.037 123.681 118.700 -0.092 0.000 2.109 80 N HA -0.137 4.566 4.740 -0.062 0.000 0.188 80 N C -0.299 175.139 175.510 -0.120 0.000 1.034 80 N CA 2.649 55.649 53.050 -0.082 0.000 0.846 80 N CB 0.299 38.748 38.487 -0.062 0.000 1.010 80 N HN 0.382 8.713 8.380 -0.083 0.000 0.425 81 E N 1.413 121.509 120.200 -0.173 0.000 1.814 81 E HA 0.013 4.270 4.350 -0.154 0.000 0.264 81 E C -1.130 175.248 176.600 -0.370 0.000 1.179 81 E CA -1.001 55.268 56.400 -0.218 0.000 0.972 81 E CB -1.039 28.539 29.700 -0.203 0.000 1.077 81 E HN -0.065 8.193 8.360 -0.170 0.000 0.417 82 K N 4.128 124.377 120.400 -0.252 0.000 2.436 82 K HA -0.088 4.251 4.320 -0.292 -0.194 0.275 82 K C 0.077 176.526 176.600 -0.250 0.000 0.999 82 K CA 0.745 56.891 56.287 -0.236 0.000 0.980 82 K CB 0.490 32.948 32.500 -0.071 0.000 0.919 82 K HN -0.425 7.729 8.250 -0.161 0.000 0.484 83 F N 1.880 121.831 119.950 0.003 0.000 2.389 83 F HA -0.094 4.433 4.527 0.000 0.000 0.337 83 F C 0.266 176.088 175.800 0.036 0.000 1.112 83 F CA 0.293 58.299 58.000 0.010 0.000 1.192 83 F CB 0.746 39.749 39.000 0.004 0.000 1.185 83 F HN 0.241 8.415 8.300 -0.011 0.119 0.552 84 R N 1.584 122.223 120.500 0.231 0.000 2.543 84 R HA -0.149 4.268 4.340 0.129 0.000 0.277 84 R C -0.699 175.709 176.300 0.180 0.000 1.074 84 R CA -0.273 55.922 56.100 0.157 0.000 1.076 84 R CB 0.906 31.273 30.300 0.112 0.000 0.993 84 R HN -0.352 8.212 8.270 0.242 -0.148 0.459 85 D N 4.993 125.482 120.400 0.148 0.000 2.489 85 D HA -0.014 4.881 4.640 0.196 -0.137 0.237 85 D C 0.966 177.325 176.300 0.099 0.000 1.212 85 D CA 1.524 55.596 54.000 0.121 0.000 1.058 85 D CB -1.341 39.477 40.800 0.030 0.000 1.098 85 D HN 0.299 8.741 8.370 0.119 0.000 0.509 86 I N -3.637 117.022 120.570 0.147 0.000 3.749 86 I HA 0.122 4.552 4.170 0.432 0.000 0.314 86 I C 0.280 176.491 176.117 0.156 0.000 1.267 86 I CA 0.494 61.956 61.300 0.270 0.000 1.169 86 I CB -0.818 37.322 38.000 0.234 0.000 1.009 86 I HN -0.174 8.119 8.210 0.139 0.000 0.444 87 R N 0.582 121.091 120.500 0.014 0.000 2.237 87 R HA -0.199 4.114 4.340 -0.045 0.000 0.219 87 R C 1.535 177.777 176.300 -0.096 0.000 1.080 87 R CA 2.632 58.704 56.100 -0.047 0.000 0.995 87 R CB -1.525 28.725 30.300 -0.083 0.000 0.875 87 R HN 0.071 8.236 8.270 0.011 0.112 0.462 88 G N -2.093 106.578 108.800 -0.215 0.000 2.443 88 G HA2 -0.181 3.641 3.960 -0.229 0.000 0.219 88 G HA3 -0.181 3.478 3.960 -0.502 0.000 0.219 88 G C 0.885 175.563 174.900 -0.371 0.000 1.131 88 G CA 1.354 46.244 45.100 -0.350 0.000 0.775 88 G HN -0.409 7.712 8.290 -0.215 0.039 0.547 89 F N -0.256 119.681 119.950 -0.021 0.000 2.512 89 F HA 0.039 4.517 4.527 -0.081 0.000 0.296 89 F C 0.366 176.105 175.800 -0.100 0.000 1.110 89 F CA 0.435 58.407 58.000 -0.046 0.000 1.446 89 F CB 0.298 39.342 39.000 0.075 0.000 1.092 89 F HN -0.685 7.383 8.300 -0.154 0.140 0.554 90 I N 0.433 121.039 120.570 0.059 0.000 2.587 90 I HA -0.259 4.047 4.170 -0.025 -0.151 0.284 90 I C -0.844 175.273 176.117 -0.001 0.000 1.134 90 I CA 1.294 62.592 61.300 -0.003 0.000 1.410 90 I CB -0.488 37.484 38.000 -0.046 0.000 1.392 90 I HN -0.860 7.232 8.210 0.050 0.148 0.545 91 S N 6.933 122.627 115.700 -0.011 0.000 2.537 91 S HA 0.415 4.881 4.470 -0.007 0.000 0.301 91 S C 0.199 174.825 174.600 0.042 0.000 1.092 91 S CA -1.504 56.696 58.200 -0.000 0.000 1.048 91 S CB 2.281 65.463 63.200 -0.032 0.000 1.053 91 S HN -0.360 7.930 8.310 -0.034 0.000 0.501 92 E N 2.193 122.405 120.200 0.021 0.000 2.216 92 E HA -0.198 4.162 4.350 0.016 0.000 0.192 92 E C -0.746 175.871 176.600 0.028 0.000 0.973 92 E CA 1.227 57.631 56.400 0.007 0.000 0.851 92 E CB 0.371 30.048 29.700 -0.040 0.000 0.804 92 E HN 0.429 8.792 8.360 0.005 0.000 0.477 93 D N -0.935 119.482 120.400 0.029 0.000 2.427 93 D HA 0.082 4.751 4.640 0.049 0.000 0.226 93 D C -0.115 176.231 176.300 0.077 0.000 1.076 93 D CA -1.223 52.803 54.000 0.044 0.000 0.849 93 D CB 0.291 41.105 40.800 0.023 0.000 1.052 93 D HN -0.570 7.810 8.370 0.016 0.000 0.515 94 L N 4.535 125.840 121.223 0.137 0.000 1.988 94 L HA -0.259 4.231 4.340 0.250 0.000 0.207 94 L C 0.801 177.813 176.870 0.237 0.000 1.071 94 L CA 2.337 57.338 54.840 0.269 0.000 0.744 94 L CB 0.120 42.407 42.059 0.381 0.000 0.893 94 L HN 0.463 8.767 8.230 0.123 0.000 0.433 95 E N -3.419 116.865 120.200 0.141 0.000 3.253 95 E HA -0.330 4.053 4.350 0.055 0.000 0.284 95 E C -0.511 176.156 176.600 0.113 0.000 0.958 95 E CA 0.808 57.262 56.400 0.090 0.000 0.917 95 E CB -1.602 28.134 29.700 0.060 0.000 1.466 95 E HN 0.330 8.756 8.360 0.111 0.000 0.455 96 G N -2.189 106.731 108.800 0.201 0.000 4.662 96 G HA2 0.084 4.122 3.960 0.130 0.000 0.328 96 G HA3 0.084 4.381 3.960 0.563 0.000 0.328 96 G C -0.823 173.982 174.900 -0.158 0.000 1.451 96 G CA -0.654 44.555 45.100 0.182 0.000 1.154 96 G HN -0.015 8.358 8.290 0.251 0.068 0.547 97 V N 1.929 121.779 119.914 -0.107 0.000 3.330 97 V HA -0.139 4.018 4.120 -0.203 -0.158 0.273 97 V C -0.862 175.134 176.094 -0.163 0.000 1.179 97 V CA 1.064 63.276 62.300 -0.148 0.000 1.174 97 V CB 0.705 32.482 31.823 -0.077 0.000 0.794 97 V HN -0.068 8.098 8.190 -0.039 0.000 0.527 98 D N -1.811 118.504 120.400 -0.141 0.000 2.440 98 D HA 0.599 5.408 4.640 -0.135 -0.250 0.239 98 D C -1.528 174.696 176.300 -0.126 0.000 1.084 98 D CA -1.680 52.250 54.000 -0.117 0.000 0.843 98 D CB 1.381 42.148 40.800 -0.056 0.000 1.097 98 D HN -0.533 7.665 8.370 -0.099 0.113 0.531 99 A N 5.704 128.405 122.820 -0.200 0.000 2.479 99 A HA 0.413 4.779 4.320 0.077 0.000 0.296 99 A C -2.238 175.262 177.584 -0.140 0.000 1.121 99 A CA -1.605 50.347 52.037 -0.142 0.000 0.743 99 A CB 3.897 22.648 19.000 -0.416 0.000 1.323 99 A HN 0.191 8.208 8.150 -0.221 0.000 0.415 100 T N 0.723 115.249 114.554 -0.047 0.000 2.861 100 T HA 0.261 4.500 4.350 -0.184 0.000 0.287 100 T C -2.074 172.580 174.700 -0.076 0.000 1.003 100 T CA -0.369 61.674 62.100 -0.094 0.000 0.977 100 T CB 2.713 71.558 68.868 -0.038 0.000 0.996 100 T HN 0.508 8.694 8.240 0.085 0.105 0.448 101 L N 8.000 129.141 121.223 -0.137 0.000 2.265 101 L HA 0.545 5.050 4.340 -0.032 -0.184 0.289 101 L C -2.299 174.552 176.870 -0.033 0.000 1.033 101 L CA -1.472 53.322 54.840 -0.076 0.000 0.814 101 L CB 2.383 44.385 42.059 -0.096 0.000 1.203 101 L HN 1.056 9.055 8.230 -0.200 0.111 0.423 102 V N 9.084 129.005 119.914 0.010 0.000 2.288 102 V HA 0.177 4.435 4.120 0.001 -0.138 0.266 102 V C -1.169 174.958 176.094 0.056 0.000 1.048 102 V CA -0.778 61.533 62.300 0.018 0.000 0.842 102 V CB 0.173 32.000 31.823 0.006 0.000 1.064 102 V HN 1.204 9.293 8.190 0.031 0.119 0.472 103 V N 8.451 128.399 119.914 0.056 0.000 2.461 103 V HA -0.038 4.144 4.120 0.103 0.000 0.275 103 V C -1.636 174.559 176.094 0.167 0.000 1.047 103 V CA 0.642 63.000 62.300 0.096 0.000 0.955 103 V CB 0.425 32.291 31.823 0.072 0.000 0.988 103 V HN 0.856 9.058 8.190 0.020 0.000 0.471 104 H N 7.444 126.542 119.070 0.047 0.000 2.767 104 H HA 0.320 5.049 4.556 0.043 -0.147 0.235 104 H C -1.414 173.925 175.328 0.018 0.000 1.256 104 H CA -1.361 54.709 56.048 0.038 0.000 0.957 104 H CB 0.717 30.497 29.762 0.032 0.000 2.117 104 H HN 0.268 8.664 8.280 0.193 0.000 0.602 105 S N 0.664 116.347 115.700 -0.027 0.000 2.748 105 S HA 0.146 4.573 4.470 -0.172 -0.060 0.299 105 S C 0.013 174.475 174.600 -0.229 0.000 1.119 105 S CA -1.421 56.685 58.200 -0.157 0.000 0.997 105 S CB 2.392 65.495 63.200 -0.163 0.000 1.223 105 S HN -0.531 7.742 8.310 0.037 0.059 0.541 106 N N 2.631 121.117 118.700 -0.358 0.000 2.049 106 N HA -0.387 4.190 4.740 -0.272 0.000 0.198 106 N C 1.252 176.615 175.510 -0.246 0.000 1.030 106 N CA 3.003 55.869 53.050 -0.307 0.000 0.870 106 N CB 0.159 38.425 38.487 -0.369 0.000 1.045 106 N HN 0.289 8.340 8.380 -0.548 0.000 0.434 107 N N -2.221 116.333 118.700 -0.243 0.000 2.395 107 N HA -0.067 4.449 4.740 -0.374 0.000 0.175 107 N C -0.267 174.885 175.510 -0.597 0.000 1.029 107 N CA 1.551 54.370 53.050 -0.386 0.000 0.897 107 N CB 1.248 39.527 38.487 -0.347 0.000 0.991 107 N HN -0.689 7.570 8.380 -0.203 0.000 0.441 108 F N -1.079 118.816 119.950 -0.092 0.000 2.828 108 F HA 0.167 4.659 4.527 -0.060 0.000 0.355 108 F C -1.861 173.888 175.800 -0.085 0.000 1.200 108 F CA -1.063 56.897 58.000 -0.067 0.000 1.062 108 F CB 1.741 40.719 39.000 -0.036 0.000 1.351 108 F HN -0.883 7.401 8.300 -0.026 0.000 0.504 109 T N 5.910 120.487 114.554 0.039 0.000 2.733 109 T HA 0.112 4.275 4.350 -0.133 0.107 0.294 109 T C -0.834 173.893 174.700 0.046 0.000 0.956 109 T CA 0.261 62.307 62.100 -0.089 0.000 0.987 109 T CB 0.587 69.303 68.868 -0.253 0.000 0.920 109 T HN 0.172 8.420 8.240 0.012 0.000 0.470 110 N N 3.614 122.412 118.700 0.163 0.000 2.643 110 N HA -0.346 4.529 4.740 0.226 0.000 0.267 110 N C -1.855 173.720 175.510 0.108 0.000 1.158 110 N CA 1.542 54.701 53.050 0.182 0.000 0.684 110 N CB -1.957 36.621 38.487 0.152 0.000 0.879 110 N HN 0.678 9.186 8.380 0.213 0.000 0.553 111 T N 0.354 114.958 114.554 0.083 0.000 3.066 111 T HA 0.234 4.585 4.350 0.001 0.000 0.318 111 T C -1.540 173.137 174.700 -0.038 0.000 0.979 111 T CA -0.586 61.516 62.100 0.003 0.000 1.025 111 T CB 2.399 71.235 68.868 -0.054 0.000 1.002 111 T HN 0.270 8.572 8.240 0.104 0.000 0.453 112 I N 8.081 128.626 120.570 -0.041 0.000 2.308 112 I HA 0.067 4.347 4.170 -0.042 -0.135 0.293 112 I C -0.780 175.287 176.117 -0.083 0.000 1.078 112 I CA 0.001 61.271 61.300 -0.050 0.000 1.292 112 I CB -0.147 37.833 38.000 -0.034 0.000 1.423 112 I HN 0.529 8.721 8.210 -0.030 0.000 0.493 113 L N 9.132 130.291 121.223 -0.106 0.000 2.318 113 L HA 0.360 4.632 4.340 -0.113 0.000 0.277 113 L C -1.075 175.642 176.870 -0.255 0.000 1.008 113 L CA -1.586 53.168 54.840 -0.143 0.000 0.846 113 L CB 0.740 42.744 42.059 -0.090 0.000 1.220 113 L HN 1.166 9.230 8.230 -0.093 0.110 0.423 114 E N 4.928 124.976 120.200 -0.254 0.000 2.324 114 E HA -0.075 4.118 4.350 -0.262 0.000 0.271 114 E C -0.328 175.915 176.600 -0.595 0.000 1.028 114 E CA -0.454 55.764 56.400 -0.302 0.000 0.890 114 E CB -0.405 29.189 29.700 -0.176 0.000 1.004 114 E HN 0.524 8.779 8.360 -0.175 0.000 0.431 115 V N -1.255 118.283 119.914 -0.626 0.000 2.878 115 V HA -0.034 3.043 4.120 -1.738 0.000 0.250 115 V C 0.497 176.374 176.094 -0.361 0.000 1.075 115 V CA 0.038 61.846 62.300 -0.819 0.000 1.096 115 V CB 0.319 31.765 31.823 -0.628 0.000 0.724 115 V HN -0.033 7.888 8.190 -0.448 0.000 0.467 116 G N 0.080 108.730 108.800 -0.249 0.000 2.650 116 G HA2 -0.293 3.599 3.960 -0.114 0.000 0.264 116 G HA3 -0.293 3.620 3.960 -0.078 0.000 0.264 116 G C -2.861 171.973 174.900 -0.110 0.000 1.263 116 G CA -0.003 45.020 45.100 -0.127 0.000 0.960 116 G HN -0.380 7.746 8.290 -0.273 0.000 0.548 117 P HA 0.454 5.047 4.420 -0.079 -0.220 0.282 117 P C -2.081 175.188 177.300 -0.053 0.000 1.274 117 P CA -0.471 62.596 63.100 -0.056 0.000 0.770 117 P CB 0.144 31.829 31.700 -0.024 0.000 0.867 118 V N 5.733 125.578 119.914 -0.115 0.000 2.540 118 V HA 0.441 4.669 4.120 0.003 -0.106 0.302 118 V C -1.253 174.772 176.094 -0.114 0.000 1.035 118 V CA -2.395 59.838 62.300 -0.111 0.000 0.873 118 V CB 3.422 35.079 31.823 -0.278 0.000 0.992 118 V HN 0.398 8.387 8.190 -0.148 0.112 0.428 119 T N 5.301 119.810 114.554 -0.076 0.000 2.645 119 T HA 0.534 4.846 4.350 -0.064 0.000 0.273 119 T C -1.792 172.875 174.700 -0.055 0.000 0.960 119 T CA -2.027 60.033 62.100 -0.066 0.000 1.051 119 T CB 2.680 71.513 68.868 -0.059 0.000 1.366 119 T HN 1.049 9.140 8.240 -0.057 0.114 0.536 120 M N -4.467 115.117 119.600 -0.026 0.000 2.530 120 M HA 0.433 5.050 4.480 -0.005 -0.140 0.307 120 M C -1.688 174.628 176.300 0.027 0.000 1.161 120 M CA -0.930 54.375 55.300 0.007 0.000 0.903 120 M CB 3.656 36.281 32.600 0.042 0.000 1.711 120 M HN -0.086 8.193 8.290 -0.020 0.000 0.451 121 A N -1.712 121.157 122.820 0.082 0.000 2.390 121 A HA 0.272 4.647 4.320 0.092 0.000 0.232 121 A C 0.072 177.719 177.584 0.104 0.000 1.233 121 A CA -0.088 52.027 52.037 0.131 0.000 0.907 121 A CB 1.528 20.719 19.000 0.319 0.000 0.967 121 A HN 0.861 8.964 8.150 0.104 0.109 0.512 122 G N -0.658 108.197 108.800 0.092 0.000 2.779 122 G HA2 -0.386 3.618 3.960 0.073 0.000 0.284 122 G HA3 -0.386 3.610 3.960 0.060 0.000 0.284 122 G C -1.867 173.077 174.900 0.074 0.000 1.326 122 G CA 0.405 45.550 45.100 0.074 0.000 0.983 122 G HN -0.562 7.733 8.290 0.095 0.052 0.555 123 L N 2.135 123.389 121.223 0.052 0.000 2.333 123 L HA 0.564 4.926 4.340 0.038 0.000 0.280 123 L C 0.158 177.034 176.870 0.010 0.000 1.004 123 L CA -0.990 53.870 54.840 0.032 0.000 0.820 123 L CB 1.187 43.260 42.059 0.024 0.000 1.247 123 L HN -0.269 7.988 8.230 0.046 0.000 0.416 124 I N -1.354 119.206 120.570 -0.017 0.000 3.434 124 I HA 0.471 4.609 4.170 -0.052 0.000 0.317 124 I C -1.961 174.104 176.117 -0.086 0.000 1.230 124 I CA -1.966 59.294 61.300 -0.066 0.000 0.918 124 I CB 3.728 41.649 38.000 -0.132 0.000 1.337 124 I HN 0.294 8.498 8.210 -0.009 0.000 0.482 125 N N 0.033 118.663 118.700 -0.118 0.000 2.456 125 N HA 0.132 4.927 4.740 -0.082 -0.104 0.288 125 N C -1.402 174.016 175.510 -0.153 0.000 1.059 125 N CA 0.088 53.073 53.050 -0.109 0.000 0.946 125 N CB 1.306 39.739 38.487 -0.091 0.000 1.150 125 N HN 0.028 8.329 8.380 -0.133 0.000 0.479 126 L N 5.267 126.419 121.223 -0.120 0.000 2.345 126 L HA 0.231 4.461 4.340 -0.182 0.000 0.274 126 L C -0.188 176.620 176.870 -0.104 0.000 0.999 126 L CA -1.192 53.569 54.840 -0.131 0.000 0.849 126 L CB 1.035 43.037 42.059 -0.095 0.000 1.220 126 L HN 0.574 8.617 8.230 -0.088 0.134 0.422 127 S N 6.739 122.373 115.700 -0.110 0.000 3.749 127 S HA -0.345 4.077 4.470 -0.080 0.000 0.348 127 S C -0.017 174.544 174.600 -0.064 0.000 1.045 127 S CA 1.058 59.208 58.200 -0.084 0.000 1.051 127 S CB -0.854 62.294 63.200 -0.087 0.000 0.898 127 S HN 1.007 9.238 8.310 -0.131 0.000 0.472 128 S N -4.259 111.400 115.700 -0.068 0.000 3.127 128 S HA -0.248 4.187 4.470 -0.058 0.000 0.281 128 S C -0.750 173.822 174.600 -0.047 0.000 1.293 128 S CA 1.934 60.102 58.200 -0.054 0.000 1.156 128 S CB -0.872 62.303 63.200 -0.041 0.000 1.389 128 S HN 0.451 8.705 8.310 -0.084 0.005 0.672 129 T N 4.258 118.782 114.554 -0.051 0.000 2.788 129 T HA 0.353 4.682 4.350 -0.036 0.000 0.296 129 T C -2.268 172.405 174.700 -0.045 0.000 1.009 129 T CA -2.228 59.847 62.100 -0.042 0.000 0.949 129 T CB 1.128 69.975 68.868 -0.034 0.000 0.946 129 T HN -0.502 7.470 8.240 -0.062 0.232 0.453 130 P HA -0.011 4.536 4.420 -0.043 -0.152 0.260 130 P C -1.381 175.902 177.300 -0.030 0.000 1.185 130 P CA 0.280 63.358 63.100 -0.036 0.000 0.763 130 P CB 0.125 31.808 31.700 -0.028 0.000 0.776 131 T N 6.922 121.459 114.554 -0.027 0.000 2.893 131 T HA 0.541 5.054 4.350 -0.015 -0.172 0.293 131 T C -1.239 173.465 174.700 0.006 0.000 1.027 131 T CA -0.552 61.540 62.100 -0.012 0.000 0.988 131 T CB 3.455 72.319 68.868 -0.007 0.000 1.043 131 T HN 0.622 8.841 8.240 -0.035 0.000 0.461 132 N N 2.628 121.338 118.700 0.016 0.000 2.492 132 N HA 0.297 5.061 4.740 0.040 0.000 0.289 132 N C -0.082 175.475 175.510 0.077 0.000 1.133 132 N CA -0.308 52.767 53.050 0.040 0.000 0.961 132 N CB 1.268 39.774 38.487 0.032 0.000 1.186 132 N HN 0.396 8.778 8.380 0.003 0.000 0.493 133 R N -3.159 117.401 120.500 0.100 0.000 3.152 133 R HA -0.378 4.079 4.340 0.124 -0.043 0.252 133 R C -1.433 174.954 176.300 0.145 0.000 0.930 133 R CA 0.996 57.177 56.100 0.135 0.000 0.642 133 R CB -2.482 27.932 30.300 0.189 0.000 1.205 133 R HN 0.161 8.483 8.270 0.086 0.000 0.452 134 M N -1.405 118.281 119.600 0.142 0.000 2.188 134 M HA 0.380 5.102 4.480 0.189 -0.128 0.357 134 M C -0.062 176.350 176.300 0.186 0.000 1.204 134 M CA -1.130 54.285 55.300 0.192 0.000 1.095 134 M CB 1.376 34.111 32.600 0.224 0.000 1.604 134 M HN -0.043 8.322 8.290 0.125 0.000 0.464 135 I N 3.370 124.037 120.570 0.163 0.000 2.440 135 I HA 0.134 4.411 4.170 0.047 -0.079 0.294 135 I C -1.724 174.266 176.117 -0.212 0.000 0.995 135 I CA -0.579 60.758 61.300 0.060 0.000 1.306 135 I CB 1.723 39.810 38.000 0.145 0.000 1.407 135 I HN 1.207 9.422 8.210 0.195 0.112 0.501 136 R N 6.064 126.360 120.500 -0.339 0.000 2.513 136 R HA 0.821 4.446 4.340 -1.530 -0.204 0.301 136 R C -1.641 174.392 176.300 -0.446 0.000 0.968 136 R CA -2.186 53.422 56.100 -0.820 0.000 0.872 136 R CB 3.570 33.456 30.300 -0.690 0.000 1.177 136 R HN 0.881 8.924 8.270 -0.158 0.133 0.444 137 Y N 3.064 123.131 120.300 -0.388 0.000 2.391 137 Y HA 0.592 5.127 4.550 -0.188 -0.099 0.341 137 Y C -1.753 174.076 175.900 -0.118 0.000 0.965 137 Y CA -3.153 54.825 58.100 -0.203 0.000 1.067 137 Y CB 1.957 40.328 38.460 -0.149 0.000 1.199 137 Y HN 0.681 8.078 8.280 -1.472 0.000 0.450 138 D N 4.354 124.784 120.400 0.049 0.000 2.455 138 D HA -0.055 4.580 4.640 -0.010 0.000 0.234 138 D C -1.677 174.744 176.300 0.202 0.000 1.224 138 D CA 1.259 55.292 54.000 0.055 0.000 0.999 138 D CB -0.632 40.184 40.800 0.026 0.000 1.072 138 D HN 0.038 8.435 8.370 0.045 0.000 0.514 139 Y N 2.290 122.628 120.300 0.062 0.000 2.275 139 Y HA -0.030 4.558 4.550 0.064 0.000 0.319 139 Y C -2.641 173.325 175.900 0.111 0.000 1.204 139 Y CA -0.968 57.196 58.100 0.105 0.000 1.136 139 Y CB 2.783 41.345 38.460 0.170 0.000 1.228 139 Y HN -0.511 7.844 8.280 0.153 0.016 0.413 140 A N 10.152 132.769 122.820 -0.339 0.000 2.537 140 A HA -0.064 4.310 4.320 -0.098 -0.113 0.260 140 A C -1.016 176.389 177.584 -0.299 0.000 1.082 140 A CA 1.136 53.021 52.037 -0.254 0.000 0.765 140 A CB -0.479 18.396 19.000 -0.208 0.000 1.019 140 A HN 0.408 8.354 8.150 -0.340 0.000 0.507 141 T N 1.051 115.598 114.554 -0.011 0.000 2.901 141 T HA 0.371 4.755 4.350 0.058 0.000 0.293 141 T C -1.271 173.525 174.700 0.160 0.000 1.084 141 T CA -1.074 61.112 62.100 0.144 0.000 1.008 141 T CB 2.896 72.052 68.868 0.480 0.000 1.170 141 T HN -0.064 8.197 8.240 0.036 0.000 0.509 142 K N -0.177 120.327 120.400 0.173 0.000 2.399 142 K HA 0.469 4.872 4.320 0.139 0.000 0.260 142 K C -0.425 176.269 176.600 0.156 0.000 1.049 142 K CA -1.481 54.894 56.287 0.146 0.000 0.890 142 K CB 3.833 36.394 32.500 0.103 0.000 1.430 142 K HN 0.691 9.466 8.250 0.176 -0.420 0.459 143 T N -1.347 113.279 114.554 0.120 0.000 2.854 143 T HA -0.427 4.003 4.350 0.134 0.000 0.336 143 T C 1.171 175.916 174.700 0.074 0.000 1.095 143 T CA 2.142 64.303 62.100 0.102 0.000 1.118 143 T CB -0.309 68.598 68.868 0.065 0.000 1.025 143 T HN 0.182 8.483 8.240 0.101 0.000 0.549 144 G N 2.584 111.414 108.800 0.050 0.000 2.299 144 G HA2 -0.454 3.458 3.960 -0.081 0.000 0.237 144 G HA3 -0.454 3.485 3.960 -0.035 0.000 0.237 144 G C 0.563 175.471 174.900 0.013 0.000 1.027 144 G CA 0.962 46.052 45.100 -0.016 0.000 0.619 144 G HN 0.733 9.073 8.290 0.084 0.000 0.513 145 Q N -0.317 119.488 119.800 0.008 0.000 2.392 145 Q HA 0.110 4.449 4.340 -0.002 0.000 0.203 145 Q C -0.329 175.501 176.000 -0.282 0.000 0.917 145 Q CA 0.629 56.343 55.803 -0.148 0.000 0.939 145 Q CB 0.647 29.187 28.738 -0.331 0.000 1.063 145 Q HN -0.420 7.770 8.270 0.033 0.100 0.516 146 C N -4.255 115.062 119.300 0.029 0.000 2.632 146 C HA -0.092 4.753 4.460 0.475 -0.100 0.415 146 C C 1.171 176.406 174.990 0.409 0.000 1.332 146 C CA -0.506 58.741 59.018 0.381 0.000 1.874 146 C CB -1.453 26.652 27.740 0.608 0.000 2.596 146 C HN -0.440 7.790 8.230 0.092 0.055 0.590 147 G N 6.000 115.051 108.800 0.419 0.000 2.278 147 G HA2 -0.301 3.851 3.960 0.321 0.000 0.210 147 G HA3 -0.301 3.939 3.960 0.467 0.000 0.210 147 G C -0.375 174.681 174.900 0.260 0.000 1.000 147 G CA -0.136 45.184 45.100 0.367 0.000 0.635 147 G HN 1.157 9.599 8.290 0.471 0.130 0.495 148 G N 0.355 109.289 108.800 0.223 0.000 2.484 148 G HA2 -0.076 4.053 3.960 0.151 0.000 0.235 148 G HA3 -0.076 3.960 3.960 0.127 0.000 0.235 148 G C -0.790 174.217 174.900 0.178 0.000 1.282 148 G CA 0.028 45.229 45.100 0.168 0.000 0.857 148 G HN -0.510 7.818 8.290 0.206 0.085 0.571 149 V N 3.324 123.309 119.914 0.119 0.000 2.432 149 V HA 0.030 4.341 4.120 0.119 -0.119 0.271 149 V C -1.000 175.156 176.094 0.103 0.000 1.046 149 V CA -0.259 62.101 62.300 0.100 0.000 0.945 149 V CB -0.196 31.653 31.823 0.045 0.000 0.992 149 V HN 0.562 8.729 8.190 0.097 0.082 0.471 150 L N 10.360 131.666 121.223 0.140 0.000 2.268 150 L HA 0.506 5.053 4.340 0.073 -0.163 0.289 150 L C -1.411 175.638 176.870 0.299 0.000 1.064 150 L CA -0.791 54.143 54.840 0.157 0.000 0.824 150 L CB 0.517 42.651 42.059 0.126 0.000 1.202 150 L HN 0.721 8.943 8.230 0.160 0.104 0.433 151 C N 3.614 123.071 119.300 0.262 0.000 3.323 151 C HA 1.047 5.570 4.460 -0.064 -0.101 0.324 151 C C -2.557 172.548 174.990 0.191 0.000 1.428 151 C CA -3.597 55.512 59.018 0.152 0.000 1.368 151 C CB 3.783 31.610 27.740 0.144 0.000 1.731 151 C HN 1.142 9.478 8.230 0.177 0.000 0.455 152 A N -2.543 120.227 122.820 -0.083 0.000 2.593 152 A HA 0.549 4.998 4.320 -0.001 -0.131 0.290 152 A C -1.534 175.693 177.584 -0.595 0.000 1.126 152 A CA -1.442 50.529 52.037 -0.110 0.000 0.695 152 A CB 3.134 22.203 19.000 0.115 0.000 1.290 152 A HN 0.949 8.765 8.150 -0.387 0.101 0.414 153 T N 1.421 115.686 114.554 -0.482 0.000 2.771 153 T HA -0.320 3.142 4.350 -1.481 0.000 0.277 153 T C 0.779 175.045 174.700 -0.724 0.000 0.919 153 T CA 2.426 64.072 62.100 -0.757 0.000 1.163 153 T CB -0.840 67.873 68.868 -0.258 0.000 0.876 153 T HN -0.059 8.228 8.240 -0.226 -0.182 0.545 154 G N 7.353 115.456 108.800 -1.161 0.000 2.218 154 G HA2 -0.347 3.578 3.960 -0.059 0.000 0.216 154 G HA3 -0.347 3.481 3.960 -0.221 0.000 0.216 154 G C -1.869 172.856 174.900 -0.293 0.000 0.994 154 G CA -0.177 44.680 45.100 -0.405 0.000 0.637 154 G HN 0.112 6.923 8.290 -2.465 0.000 0.505 155 K N 0.639 120.693 120.400 -0.576 0.000 2.507 155 K HA 0.635 4.911 4.320 -0.348 -0.166 0.252 155 K C -1.874 174.221 176.600 -0.842 0.000 0.943 155 K CA -1.431 54.496 56.287 -0.601 0.000 0.808 155 K CB 2.852 34.936 32.500 -0.693 0.000 1.142 155 K HN -0.337 7.244 8.250 -0.808 0.184 0.426 156 I N 4.538 124.810 120.570 -0.497 0.000 2.312 156 I HA 0.079 4.034 4.170 -0.358 0.000 0.290 156 I C -0.571 175.320 176.117 -0.377 0.000 1.008 156 I CA 0.163 61.256 61.300 -0.344 0.000 1.226 156 I CB 0.518 38.487 38.000 -0.051 0.000 1.371 156 I HN 0.695 8.634 8.210 -0.280 0.103 0.468 157 F N 6.404 126.382 119.950 0.046 0.000 2.387 157 F HA 0.026 4.589 4.527 0.059 0.000 0.294 157 F C 0.291 176.146 175.800 0.093 0.000 1.093 157 F CA 1.023 59.057 58.000 0.057 0.000 1.420 157 F CB 1.107 40.125 39.000 0.030 0.000 1.086 157 F HN 0.681 8.864 8.300 -0.196 0.000 0.531 158 G N -3.915 105.032 108.800 0.245 0.000 2.373 158 G HA2 0.020 4.077 3.960 0.162 0.000 0.250 158 G HA3 0.020 4.405 3.960 0.245 -0.278 0.250 158 G C -3.217 171.798 174.900 0.192 0.000 1.304 158 G CA 0.146 45.371 45.100 0.208 0.000 0.948 158 G HN -0.565 7.857 8.290 0.220 0.000 0.474 159 I N -4.579 116.118 120.570 0.212 0.000 2.689 159 I HA 0.831 5.265 4.170 0.217 -0.135 0.299 159 I C -1.785 174.516 176.117 0.307 0.000 1.059 159 I CA -2.579 58.861 61.300 0.232 0.000 1.055 159 I CB 3.909 42.030 38.000 0.202 0.000 1.243 159 I HN -0.388 7.956 8.210 0.224 0.000 0.425 160 H N 5.453 124.666 119.070 0.237 0.000 3.046 160 H HA -0.036 4.747 4.556 0.379 0.000 0.303 160 H C -0.209 175.307 175.328 0.313 0.000 1.002 160 H CA 0.837 57.069 56.048 0.308 0.000 1.460 160 H CB 0.900 30.835 29.762 0.288 0.000 1.493 160 H HN 0.886 9.285 8.280 0.391 0.116 0.559 161 V N 7.742 127.868 119.914 0.352 0.000 3.455 161 V HA 0.079 4.508 4.120 0.514 0.000 0.250 161 V C -1.400 174.875 176.094 0.301 0.000 1.230 161 V CA -0.884 61.643 62.300 0.377 0.000 1.105 161 V CB 1.963 33.943 31.823 0.262 0.000 0.850 161 V HN 0.217 8.395 8.190 0.156 0.106 0.461 162 G N -4.478 104.439 108.800 0.194 0.000 2.474 162 G HA2 0.116 4.250 3.960 0.290 0.000 0.234 162 G HA3 0.116 4.117 3.960 0.068 0.000 0.234 162 G C -2.961 172.013 174.900 0.123 0.000 1.204 162 G CA 0.461 45.662 45.100 0.169 0.000 0.939 162 G HN -0.204 8.110 8.290 0.039 0.000 0.491 163 G N -2.728 106.154 108.800 0.137 0.000 2.547 163 G HA2 0.308 4.662 3.960 0.423 0.000 0.291 163 G HA3 0.308 4.385 3.960 0.194 0.000 0.291 163 G C -2.360 172.618 174.900 0.130 0.000 1.471 163 G CA 0.521 45.752 45.100 0.220 0.000 0.798 163 G HN -0.173 8.156 8.290 0.065 0.000 0.504 164 N N 1.108 119.944 118.700 0.227 0.000 2.549 164 N HA 0.213 4.952 4.740 -0.002 0.000 0.281 164 N C 0.244 175.822 175.510 0.113 0.000 1.084 164 N CA -0.812 52.280 53.050 0.070 0.000 0.862 164 N CB 1.725 40.143 38.487 -0.115 0.000 1.333 164 N HN 0.530 9.172 8.380 0.438 0.000 0.523 165 G N 6.540 115.373 108.800 0.056 0.000 2.557 165 G HA2 -0.429 3.547 3.960 0.026 0.000 0.292 165 G HA3 -0.429 3.556 3.960 0.041 0.000 0.292 165 G C -0.151 174.772 174.900 0.038 0.000 1.162 165 G CA 1.380 46.505 45.100 0.041 0.000 0.964 165 G HN 0.615 8.927 8.290 0.037 0.000 0.541 166 R N 3.935 124.452 120.500 0.028 0.000 2.362 166 R HA 0.122 4.457 4.340 -0.008 0.000 0.227 166 R C -1.164 175.133 176.300 -0.005 0.000 0.905 166 R CA -0.460 55.642 56.100 0.002 0.000 1.067 166 R CB 0.846 31.141 30.300 -0.008 0.000 1.078 166 R HN 0.115 8.405 8.270 0.034 0.000 0.516 167 Q N -0.617 119.185 119.800 0.004 0.000 2.290 167 Q HA 0.341 4.735 4.340 -0.150 -0.144 0.259 167 Q C -0.200 175.667 176.000 -0.221 0.000 0.941 167 Q CA -0.898 54.827 55.803 -0.130 0.000 0.912 167 Q CB 1.311 29.960 28.738 -0.148 0.000 1.244 167 Q HN -0.718 7.525 8.270 0.058 0.062 0.441 168 G N 1.612 110.093 108.800 -0.531 0.000 2.420 168 G HA2 0.534 4.385 3.960 -0.182 0.000 0.284 168 G HA3 0.534 4.127 3.960 -0.612 0.000 0.284 168 G C -2.483 171.560 174.900 -1.428 0.000 1.177 168 G CA -1.173 43.496 45.100 -0.719 0.000 0.841 168 G HN 0.498 8.496 8.290 -0.487 0.000 0.527 169 F N 1.364 120.874 119.950 -0.735 0.000 2.518 169 F HA 0.889 5.362 4.527 -0.541 -0.271 0.323 169 F C -1.024 174.637 175.800 -0.231 0.000 1.129 169 F CA -1.459 56.264 58.000 -0.462 0.000 0.920 169 F CB 3.990 42.846 39.000 -0.240 0.000 1.160 169 F HN 0.696 8.711 8.300 -0.281 0.116 0.440 170 S N 2.840 118.624 115.700 0.139 0.000 2.677 170 S HA 0.589 5.362 4.470 0.210 -0.177 0.304 170 S C -1.703 173.033 174.600 0.227 0.000 1.108 170 S CA -1.528 56.818 58.200 0.244 0.000 0.944 170 S CB 3.384 66.798 63.200 0.356 0.000 1.127 170 S HN 0.392 8.635 8.310 0.077 0.113 0.511 171 A N 0.626 123.583 122.820 0.228 0.000 2.301 171 A HA 0.437 4.874 4.320 0.195 0.000 0.298 171 A C -1.978 175.747 177.584 0.236 0.000 1.185 171 A CA -1.888 50.277 52.037 0.213 0.000 0.830 171 A CB 1.379 20.498 19.000 0.199 0.000 1.112 171 A HN 0.861 9.155 8.150 0.241 0.000 0.508 172 Q N 5.003 124.945 119.800 0.236 0.000 2.344 172 Q HA 0.159 4.814 4.340 0.262 -0.158 0.253 172 Q C -0.500 175.697 176.000 0.328 0.000 1.050 172 Q CA -1.034 54.925 55.803 0.260 0.000 0.912 172 Q CB 0.776 29.649 28.738 0.224 0.000 1.258 172 Q HN 0.030 8.430 8.270 0.216 0.000 0.443 173 L N 9.634 131.059 121.223 0.338 0.000 2.375 173 L HA 0.004 4.728 4.340 0.641 0.000 0.276 173 L C -1.247 175.871 176.870 0.413 0.000 1.162 173 L CA -0.640 54.486 54.840 0.476 0.000 0.991 173 L CB -1.266 40.994 42.059 0.336 0.000 1.315 173 L HN 0.445 8.746 8.230 0.291 0.104 0.431 174 K N 2.475 123.101 120.400 0.377 0.000 2.379 174 K HA 0.011 4.644 4.320 0.119 -0.242 0.284 174 K C 1.340 178.031 176.600 0.152 0.000 1.044 174 K CA -0.296 56.062 56.287 0.118 0.000 0.974 174 K CB 0.430 32.824 32.500 -0.176 0.000 0.962 174 K HN -0.612 7.907 8.250 0.489 0.024 0.474 175 K N 6.554 127.024 120.400 0.117 0.000 2.144 175 K HA -0.541 3.923 4.320 0.239 0.000 0.209 175 K C 1.658 178.311 176.600 0.089 0.000 1.047 175 K CA 4.338 60.707 56.287 0.137 0.000 0.927 175 K CB -0.437 32.087 32.500 0.040 0.000 0.716 175 K HN 0.743 8.983 8.250 0.074 0.055 0.454 176 Q N -3.867 115.885 119.800 -0.081 0.000 2.133 176 Q HA -0.305 3.988 4.340 -0.079 0.000 0.208 176 Q C 2.755 178.686 176.000 -0.114 0.000 0.991 176 Q CA 3.343 59.051 55.803 -0.158 0.000 0.867 176 Q CB -0.326 28.218 28.738 -0.323 0.000 0.911 176 Q HN 0.295 8.469 8.270 -0.124 0.022 0.417 177 Y N -4.747 115.518 120.300 -0.058 0.000 2.439 177 Y HA -0.202 4.235 4.550 -0.189 0.000 0.292 177 Y C 0.600 176.247 175.900 -0.422 0.000 1.130 177 Y CA 1.375 59.304 58.100 -0.286 0.000 1.254 177 Y CB -0.180 37.983 38.460 -0.495 0.000 1.000 177 Y HN -0.343 7.734 8.280 -0.312 0.016 0.554 178 F N -6.344 113.711 119.950 0.174 0.000 2.553 178 F HA -0.048 4.568 4.527 0.148 0.000 0.282 178 F C 1.796 177.636 175.800 0.067 0.000 1.089 178 F CA 1.627 59.705 58.000 0.129 0.000 1.411 178 F CB 0.758 39.833 39.000 0.124 0.000 1.125 178 F HN -0.720 7.589 8.300 0.263 0.148 0.610 179 V N 1.286 121.314 119.914 0.191 0.000 2.594 179 V HA -0.420 3.729 4.120 0.048 0.000 0.253 179 V C 0.852 176.974 176.094 0.046 0.000 1.069 179 V CA 3.227 65.571 62.300 0.074 0.000 1.082 179 V CB 0.177 32.019 31.823 0.031 0.000 0.680 179 V HN 0.547 8.858 8.190 0.201 0.000 0.469 180 E N -2.398 117.831 120.200 0.049 0.000 2.285 180 E HA -0.166 4.194 4.350 0.017 0.000 0.194 180 E C 0.140 176.760 176.600 0.034 0.000 0.997 180 E CA 0.842 57.259 56.400 0.029 0.000 0.845 180 E CB -0.444 29.269 29.700 0.022 0.000 0.782 180 E HN -0.428 7.941 8.360 0.059 0.027 0.491 181 K N 0.748 121.185 120.400 0.062 0.000 2.218 181 K HA 0.018 4.348 4.320 0.018 0.000 0.276 181 K C -1.344 175.322 176.600 0.110 0.000 1.022 181 K CA -0.079 56.246 56.287 0.064 0.000 0.946 181 K CB 0.774 33.314 32.500 0.067 0.000 1.000 181 K HN -0.521 7.629 8.250 0.089 0.153 0.468 182 Q N 0.000 119.844 119.800 0.074 0.000 2.315 182 Q HA 0.000 4.441 4.340 0.169 0.000 0.214 182 Q CA 0.000 55.859 55.803 0.093 0.000 1.022 182 Q CB 0.000 28.776 28.738 0.064 0.000 1.108 182 Q HN 0.000 8.288 8.270 0.030 0.000 0.481