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 1ah2_1_A DATA FIRST_RESID 1 DATA SEQUENCE AQSVPWGISR VQAPAAHNRG LTGSGVKVAV LDTGISTHPD LNIRGGASFV DATA SEQUENCE PGEPSTQDGN GHGTHVAGTI AALNNSIGVL GVAPNAELYA VKVLGASGSG DATA SEQUENCE SVSSIAQGLE WAGNNGMHVA NLSLGSPSPS ATLEQAVNSA TSRGVLVVAA DATA SEQUENCE SGNSGAGSIS YPARYANAMA VGATDQNNNR ASFSQYGAGL DIVAPGVNVQ DATA SEQUENCE STYPGSTYAS LNGTSMATPH VAGAAALVKQ KNPSWSNVQI RNHLKNTATS DATA SEQUENCE LGSTNLYGSG LVNAEAATR 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 A HA 0.000 4.339 4.320 0.031 0.000 0.244 1 A C 0.000 177.608 177.584 0.039 0.000 1.274 1 A CA 0.000 52.062 52.037 0.042 0.000 0.836 1 A CB 0.000 19.037 19.000 0.062 0.000 0.831 2 Q N 0.336 120.168 119.800 0.054 0.000 2.247 2 Q HA 0.064 4.419 4.340 0.026 0.000 0.184 2 Q C -0.498 175.521 176.000 0.031 0.000 1.067 2 Q CA -0.288 55.539 55.803 0.039 0.000 1.115 2 Q CB 1.008 29.775 28.738 0.048 0.000 1.147 2 Q HN -0.032 8.286 8.270 0.080 0.000 0.599 3 S N 2.000 117.711 115.700 0.018 0.000 2.520 3 S HA 0.255 4.735 4.470 0.017 0.000 0.324 3 S C -1.829 172.784 174.600 0.021 0.000 1.069 3 S CA 0.028 58.234 58.200 0.010 0.000 1.121 3 S CB 0.195 63.383 63.200 -0.020 0.000 0.971 3 S HN 0.459 8.776 8.310 0.012 0.000 0.463 4 V N 2.836 122.775 119.914 0.042 0.000 2.962 4 V HA 0.430 4.587 4.120 0.061 0.000 0.313 4 V C -1.576 174.570 176.094 0.087 0.000 1.099 4 V CA -4.125 58.213 62.300 0.063 0.000 0.971 4 V CB 1.728 33.592 31.823 0.068 0.000 1.028 4 V HN 0.078 8.293 8.190 0.041 0.000 0.430 5 P HA 0.273 4.807 4.420 0.190 0.000 0.277 5 P C 0.678 178.143 177.300 0.275 0.000 1.271 5 P CA -0.823 62.413 63.100 0.226 0.000 0.795 5 P CB 0.950 32.830 31.700 0.300 0.000 1.101 6 W N -0.512 120.797 121.300 0.014 0.000 2.389 6 W HA -0.274 4.381 4.660 -0.009 0.000 0.267 6 W C 0.970 177.482 176.519 -0.012 0.000 1.219 6 W CA 0.955 58.301 57.345 0.001 0.000 1.189 6 W CB -1.660 27.804 29.460 0.008 0.000 1.129 6 W HN 0.471 9.021 8.180 0.617 0.000 0.581 7 G N 0.689 109.236 108.800 -0.421 0.000 2.433 7 G HA2 -0.384 2.966 3.960 -1.018 0.000 0.216 7 G HA3 -0.384 3.409 3.960 -0.279 0.000 0.216 7 G C 0.697 175.313 174.900 -0.472 0.000 1.186 7 G CA 1.633 46.378 45.100 -0.592 0.000 0.779 7 G HN 0.029 8.357 8.290 0.163 0.061 0.543 8 I N 1.303 121.705 120.570 -0.281 0.000 2.876 8 I HA -0.134 3.742 4.170 -0.491 0.000 0.264 8 I C 1.646 177.663 176.117 -0.167 0.000 1.204 8 I CA 1.483 62.616 61.300 -0.278 0.000 1.485 8 I CB 0.374 38.328 38.000 -0.076 0.000 1.103 8 I HN -0.670 7.474 8.210 -0.110 0.000 0.446 9 S N 1.249 116.885 115.700 -0.106 0.000 2.419 9 S HA -0.274 4.170 4.470 -0.043 0.000 0.233 9 S C 1.289 175.833 174.600 -0.093 0.000 1.016 9 S CA 3.107 61.273 58.200 -0.055 0.000 0.974 9 S CB -0.449 62.764 63.200 0.021 0.000 0.786 9 S HN -0.173 7.966 8.310 -0.085 0.120 0.492 10 R N -0.679 119.723 120.500 -0.163 0.000 2.334 10 R HA 0.047 4.323 4.340 -0.105 0.000 0.216 10 R C 0.098 176.297 176.300 -0.168 0.000 0.905 10 R CA 0.573 56.577 56.100 -0.160 0.000 1.064 10 R CB 0.563 30.731 30.300 -0.220 0.000 1.046 10 R HN -0.759 7.345 8.270 -0.228 0.029 0.508 11 V N -5.371 114.427 119.914 -0.193 0.000 3.421 11 V HA 0.402 4.611 4.120 -0.142 -0.174 0.316 11 V C -0.592 175.430 176.094 -0.119 0.000 1.347 11 V CA -3.099 59.101 62.300 -0.166 0.000 1.183 11 V CB -0.221 31.462 31.823 -0.233 0.000 1.092 11 V HN -0.570 7.301 8.190 -0.211 0.192 0.433 12 Q N -1.831 117.901 119.800 -0.113 0.000 2.395 12 Q HA -0.429 3.848 4.340 -0.105 0.000 0.326 12 Q C -0.529 175.377 176.000 -0.157 0.000 1.302 12 Q CA 1.240 56.977 55.803 -0.109 0.000 0.949 12 Q CB -2.447 26.244 28.738 -0.078 0.000 1.204 12 Q HN 0.063 8.177 8.270 -0.113 0.089 0.444 13 A N -2.376 120.329 122.820 -0.192 0.000 2.030 13 A HA 0.126 4.274 4.320 -0.286 0.000 0.215 13 A C -1.619 175.436 177.584 -0.882 0.000 1.164 13 A CA 3.028 54.863 52.037 -0.337 0.000 0.697 13 A CB -0.746 18.209 19.000 -0.074 0.000 0.827 13 A HN -0.311 7.743 8.150 -0.154 0.004 0.457 14 P HA -0.060 4.172 4.420 -0.313 0.000 0.213 14 P C 1.022 178.151 177.300 -0.284 0.000 1.169 14 P CA 2.102 65.001 63.100 -0.335 0.000 0.885 14 P CB -0.591 31.056 31.700 -0.088 0.000 0.779 15 A N -1.829 120.880 122.820 -0.186 0.000 2.009 15 A HA -0.330 3.948 4.320 -0.070 0.000 0.222 15 A C 1.717 179.227 177.584 -0.123 0.000 1.175 15 A CA 2.815 54.784 52.037 -0.113 0.000 0.651 15 A CB -1.050 17.900 19.000 -0.085 0.000 0.815 15 A HN 0.227 8.277 8.150 -0.165 0.000 0.459 16 A N -2.912 119.774 122.820 -0.223 0.000 1.897 16 A HA -0.297 3.989 4.320 -0.057 0.000 0.215 16 A C 1.384 178.956 177.584 -0.020 0.000 1.181 16 A CA 2.560 54.518 52.037 -0.130 0.000 0.620 16 A CB -0.526 18.388 19.000 -0.142 0.000 0.821 16 A HN -0.009 7.811 8.150 -0.341 0.126 0.443 17 H N -3.459 115.615 119.070 0.007 0.000 2.521 17 H HA -0.028 4.533 4.556 0.008 0.000 0.286 17 H C 1.366 176.697 175.328 0.005 0.000 1.034 17 H CA 1.500 57.552 56.048 0.008 0.000 1.278 17 H CB -0.080 29.688 29.762 0.010 0.000 1.386 17 H HN -0.517 7.256 8.280 -0.705 0.084 0.567 18 N N -2.111 116.634 118.700 0.074 0.000 2.388 18 N HA 0.002 4.775 4.740 0.056 0.000 0.176 18 N C 0.554 176.080 175.510 0.026 0.000 1.062 18 N CA 0.907 53.983 53.050 0.043 0.000 0.895 18 N CB 0.299 38.796 38.487 0.016 0.000 1.018 18 N HN -0.106 8.108 8.380 0.009 0.172 0.456 19 R N -1.761 118.749 120.500 0.017 0.000 2.115 19 R HA -0.082 4.261 4.340 0.005 0.000 0.230 19 R C 0.993 177.302 176.300 0.015 0.000 1.111 19 R CA 0.994 57.100 56.100 0.009 0.000 0.976 19 R CB 0.528 30.829 30.300 0.002 0.000 0.870 19 R HN -0.415 7.752 8.270 0.010 0.109 0.445 20 G N -2.946 105.872 108.800 0.029 0.000 2.421 20 G HA2 -0.276 3.700 3.960 0.027 0.000 0.188 20 G HA3 -0.276 3.691 3.960 0.012 0.000 0.188 20 G C -0.447 174.469 174.900 0.027 0.000 1.001 20 G CA -0.591 44.523 45.100 0.024 0.000 0.693 20 G HN -0.635 7.664 8.290 0.045 0.017 0.479 21 L N 1.288 122.532 121.223 0.035 0.000 2.456 21 L HA -0.037 4.311 4.340 0.013 0.000 0.272 21 L C -0.594 176.314 176.870 0.063 0.000 1.189 21 L CA 0.710 55.572 54.840 0.036 0.000 0.846 21 L CB 0.959 43.041 42.059 0.038 0.000 1.111 21 L HN -0.394 7.857 8.230 0.034 0.000 0.475 22 T N -3.086 111.492 114.554 0.041 0.000 3.087 22 T HA 0.176 4.552 4.350 0.044 0.000 0.283 22 T C 0.458 175.176 174.700 0.031 0.000 0.956 22 T CA -1.110 61.010 62.100 0.034 0.000 0.894 22 T CB 1.311 70.186 68.868 0.012 0.000 1.160 22 T HN -0.071 8.316 8.240 0.022 -0.134 0.532 23 G N 1.012 109.834 108.800 0.036 0.000 2.200 23 G HA2 -0.512 3.467 3.960 0.033 0.000 0.268 23 G HA3 -0.512 3.481 3.960 0.055 0.000 0.268 23 G C -0.913 174.004 174.900 0.028 0.000 0.986 23 G CA 0.778 45.901 45.100 0.039 0.000 0.677 23 G HN -0.476 7.986 8.290 0.032 -0.152 0.532 24 S N 0.078 115.788 115.700 0.017 0.000 2.533 24 S HA -0.211 4.274 4.470 0.025 0.000 0.282 24 S C 0.952 175.557 174.600 0.010 0.000 1.304 24 S CA 1.139 59.349 58.200 0.016 0.000 1.063 24 S CB 0.498 63.703 63.200 0.008 0.000 0.881 24 S HN -0.906 7.310 8.310 0.013 0.102 0.493 25 G N 5.050 113.862 108.800 0.020 0.000 2.184 25 G HA2 -0.166 3.803 3.960 0.016 0.000 0.206 25 G HA3 -0.166 3.789 3.960 -0.008 0.000 0.206 25 G C -0.950 173.960 174.900 0.017 0.000 0.995 25 G CA -0.187 44.919 45.100 0.010 0.000 0.651 25 G HN 0.217 8.526 8.290 0.033 0.000 0.511 26 V N 0.516 120.454 119.914 0.040 0.000 3.234 26 V HA 0.095 4.254 4.120 0.065 0.000 0.317 26 V C -1.487 174.663 176.094 0.093 0.000 1.081 26 V CA -1.633 60.717 62.300 0.083 0.000 1.037 26 V CB 1.403 33.297 31.823 0.119 0.000 1.148 26 V HN -0.753 7.401 8.190 0.043 0.062 0.453 27 K N 0.782 121.257 120.400 0.125 0.000 2.535 27 K HA 0.339 4.787 4.320 -0.009 -0.133 0.250 27 K C -1.841 174.712 176.600 -0.078 0.000 0.948 27 K CA -0.326 55.948 56.287 -0.021 0.000 0.796 27 K CB 2.830 35.249 32.500 -0.134 0.000 1.216 27 K HN 0.082 8.504 8.250 0.288 0.000 0.432 28 V N 1.901 121.764 119.914 -0.085 0.000 2.638 28 V HA 0.289 4.479 4.120 -0.143 -0.155 0.306 28 V C -1.627 174.453 176.094 -0.023 0.000 1.052 28 V CA -2.889 59.364 62.300 -0.078 0.000 0.885 28 V CB 3.420 35.229 31.823 -0.023 0.000 0.999 28 V HN 0.089 8.256 8.190 -0.039 0.000 0.424 29 A N 5.579 128.395 122.820 -0.006 0.000 2.293 29 A HA 0.332 4.784 4.320 0.220 0.000 0.302 29 A C -1.763 175.885 177.584 0.107 0.000 1.119 29 A CA -1.143 50.967 52.037 0.120 0.000 0.823 29 A CB 1.912 21.010 19.000 0.163 0.000 1.097 29 A HN -0.085 8.037 8.150 -0.047 0.000 0.491 30 V N 0.819 120.812 119.914 0.133 0.000 2.320 30 V HA 0.109 4.268 4.120 0.065 0.000 0.268 30 V C -1.244 174.900 176.094 0.083 0.000 1.021 30 V CA -1.488 60.863 62.300 0.084 0.000 0.813 30 V CB 0.309 32.170 31.823 0.065 0.000 1.054 30 V HN 0.180 8.478 8.190 0.181 0.000 0.444 31 L N 8.859 130.133 121.223 0.085 0.000 2.623 31 L HA 0.128 4.801 4.340 0.094 -0.277 0.281 31 L C -0.892 176.022 176.870 0.073 0.000 1.150 31 L CA 0.662 55.552 54.840 0.084 0.000 0.965 31 L CB -1.701 40.405 42.059 0.078 0.000 1.303 31 L HN -0.267 8.011 8.230 0.080 0.000 0.467 32 D N 2.868 123.305 120.400 0.062 0.000 3.603 32 D HA 0.162 4.850 4.640 0.081 0.000 0.280 32 D C -0.962 175.360 176.300 0.038 0.000 1.435 32 D CA -0.628 53.410 54.000 0.064 0.000 1.005 32 D CB 1.550 42.388 40.800 0.064 0.000 1.321 32 D HN -0.450 7.952 8.370 0.054 0.000 0.639 33 T N 0.786 115.356 114.554 0.027 0.000 3.641 33 T HA 0.166 4.511 4.350 -0.009 0.000 0.313 33 T C -1.435 173.253 174.700 -0.019 0.000 0.952 33 T CA -1.200 60.901 62.100 0.001 0.000 1.004 33 T CB -0.290 68.582 68.868 0.006 0.000 1.209 33 T HN 0.108 8.371 8.240 0.039 0.000 0.493 34 G N -1.046 107.741 108.800 -0.023 0.000 2.026 34 G HA2 -0.005 3.923 3.960 -0.053 0.000 0.208 34 G HA3 -0.005 4.025 3.960 -0.050 -0.100 0.208 34 G C -2.599 172.273 174.900 -0.046 0.000 1.640 34 G CA 0.306 45.380 45.100 -0.044 0.000 0.946 34 G HN -0.676 7.994 8.290 -0.012 -0.387 0.709 35 I N 3.728 124.267 120.570 -0.050 0.000 3.904 35 I HA 0.115 4.354 4.170 -0.049 -0.098 0.333 35 I C -1.161 174.917 176.117 -0.066 0.000 1.361 35 I CA -2.033 59.238 61.300 -0.049 0.000 1.116 35 I CB 1.068 39.050 38.000 -0.031 0.000 1.028 35 I HN 0.164 8.342 8.210 -0.052 0.000 0.398 36 S N -2.189 113.462 115.700 -0.082 0.000 3.303 36 S HA -0.241 4.332 4.470 -0.091 -0.157 0.856 36 S C -0.696 173.891 174.600 -0.022 0.000 1.103 36 S CA 0.066 58.210 58.200 -0.093 0.000 1.118 36 S CB 0.689 63.775 63.200 -0.189 0.000 0.839 36 S HN -0.529 7.726 8.310 -0.081 0.006 0.272 37 T N 7.378 121.938 114.554 0.011 0.000 2.769 37 T HA -0.091 4.279 4.350 0.032 0.000 0.293 37 T C -0.471 174.331 174.700 0.172 0.000 0.931 37 T CA 1.222 63.352 62.100 0.051 0.000 1.139 37 T CB 0.092 68.971 68.868 0.017 0.000 0.881 37 T HN 0.136 8.370 8.240 -0.010 0.000 0.532 38 H N 5.669 124.722 119.070 -0.029 0.000 3.016 38 H HA 0.266 4.810 4.556 -0.019 0.000 0.362 38 H C -1.144 174.179 175.328 -0.009 0.000 1.233 38 H CA -1.534 54.504 56.048 -0.017 0.000 1.124 38 H CB 3.874 33.632 29.762 -0.006 0.000 1.850 38 H HN -0.115 8.245 8.280 0.134 0.000 0.549 39 P HA 0.163 4.560 4.420 -0.037 0.000 0.245 39 P C -1.101 176.205 177.300 0.009 0.000 1.212 39 P CA 1.201 64.265 63.100 -0.061 0.000 0.774 39 P CB 0.318 31.946 31.700 -0.120 0.000 0.999 40 D N -1.720 118.730 120.400 0.084 0.000 2.423 40 D HA 0.114 4.789 4.640 0.058 0.000 0.208 40 D C -2.128 174.215 176.300 0.072 0.000 1.068 40 D CA 0.199 54.255 54.000 0.094 0.000 0.860 40 D CB 1.970 42.868 40.800 0.163 0.000 0.992 40 D HN 0.199 8.570 8.370 0.149 0.089 0.504 41 L N -2.186 119.085 121.223 0.080 0.000 2.298 41 L HA 0.265 4.626 4.340 0.036 0.000 0.284 41 L C -1.537 175.353 176.870 0.033 0.000 1.013 41 L CA -0.819 54.050 54.840 0.048 0.000 0.824 41 L CB 0.754 42.839 42.059 0.043 0.000 1.221 41 L HN -0.975 7.216 8.230 0.113 0.107 0.418 42 N N 3.549 122.263 118.700 0.024 0.000 2.462 42 N HA 0.065 4.809 4.740 0.008 0.000 0.242 42 N C -0.874 174.641 175.510 0.007 0.000 1.010 42 N CA -1.361 51.697 53.050 0.014 0.000 0.939 42 N CB 0.377 38.874 38.487 0.016 0.000 1.127 42 N HN 0.259 8.655 8.380 0.027 0.000 0.509 43 I N 4.215 124.777 120.570 -0.015 0.000 2.578 43 I HA -0.176 4.100 4.170 -0.034 -0.127 0.286 43 I C 0.842 176.908 176.117 -0.085 0.000 1.126 43 I CA -0.343 60.927 61.300 -0.049 0.000 1.380 43 I CB -2.195 35.764 38.000 -0.068 0.000 1.408 43 I HN 0.277 8.478 8.210 -0.014 0.000 0.532 44 R N 7.185 127.620 120.500 -0.109 0.000 2.282 44 R HA 0.191 4.477 4.340 -0.089 0.000 0.195 44 R C -0.185 175.807 176.300 -0.513 0.000 0.909 44 R CA -0.002 56.011 56.100 -0.146 0.000 1.039 44 R CB 1.254 31.595 30.300 0.068 0.000 1.015 44 R HN 0.185 8.417 8.270 -0.063 0.000 0.513 45 G N -3.812 104.447 108.800 -0.902 0.000 2.673 45 G HA2 0.172 3.730 3.960 -0.669 0.000 0.292 45 G HA3 0.172 2.480 3.960 -2.753 0.000 0.292 45 G C -2.405 172.122 174.900 -0.621 0.000 1.450 45 G CA -0.010 44.341 45.100 -1.249 0.000 0.837 45 G HN -0.855 7.077 8.290 -0.596 0.000 0.505 46 G N -2.709 105.891 108.800 -0.333 0.000 2.633 46 G HA2 0.251 4.242 3.960 -0.165 0.000 0.299 46 G HA3 0.251 4.041 3.960 -0.215 0.042 0.299 46 G C -2.501 172.189 174.900 -0.350 0.000 1.501 46 G CA 0.691 45.647 45.100 -0.240 0.000 0.887 46 G HN -0.088 8.037 8.290 -0.276 0.000 0.561 47 A N 3.293 125.798 122.820 -0.526 0.000 2.437 47 A HA 0.423 4.345 4.320 -0.664 0.000 0.293 47 A C -1.699 175.270 177.584 -1.025 0.000 1.038 47 A CA -0.240 51.276 52.037 -0.869 0.000 0.708 47 A CB 2.830 21.020 19.000 -1.350 0.000 1.251 47 A HN 0.234 8.124 8.150 -0.435 0.000 0.409 48 S N 4.332 119.498 115.700 -0.889 0.000 2.422 48 S HA 0.284 4.613 4.470 -0.485 -0.151 0.308 48 S C -0.671 173.470 174.600 -0.766 0.000 1.097 48 S CA -0.330 57.484 58.200 -0.642 0.000 1.099 48 S CB 0.662 63.662 63.200 -0.333 0.000 0.976 48 S HN 0.258 8.131 8.310 -0.727 0.000 0.471 49 F N 6.197 126.067 119.950 -0.133 0.000 2.390 49 F HA 0.087 4.563 4.527 -0.085 0.000 0.281 49 F C 0.337 176.105 175.800 -0.053 0.000 1.016 49 F CA 0.854 58.801 58.000 -0.088 0.000 1.286 49 F CB 0.352 39.306 39.000 -0.078 0.000 1.134 49 F HN -0.551 7.665 8.300 -0.140 0.000 0.597 50 V N 1.875 121.892 119.914 0.171 0.000 2.975 50 V HA -0.266 3.905 4.120 0.086 0.000 0.300 50 V C -1.743 174.370 176.094 0.031 0.000 1.186 50 V CA -0.509 61.840 62.300 0.082 0.000 1.311 50 V CB 0.546 32.406 31.823 0.062 0.000 0.917 50 V HN -0.489 7.841 8.190 0.235 0.000 0.512 51 P HA -0.028 4.393 4.420 0.001 0.000 0.296 51 P C -0.886 176.409 177.300 -0.008 0.000 1.295 51 P CA 0.091 63.194 63.100 0.005 0.000 0.754 51 P CB 0.799 32.504 31.700 0.009 0.000 1.311 52 G N -2.082 106.711 108.800 -0.012 0.000 2.434 52 G HA2 -0.261 3.688 3.960 -0.018 0.000 0.224 52 G HA3 -0.261 3.690 3.960 -0.015 0.000 0.224 52 G C -0.942 173.940 174.900 -0.030 0.000 0.807 52 G CA 0.141 45.230 45.100 -0.018 0.000 1.113 52 G HN -0.143 8.141 8.290 -0.010 0.000 0.327 53 E N 3.441 123.619 120.200 -0.036 0.000 2.103 53 E HA 0.211 4.525 4.350 -0.060 0.000 0.254 53 E C -1.302 175.269 176.600 -0.048 0.000 0.940 53 E CA -2.186 54.184 56.400 -0.051 0.000 0.771 53 E CB 0.531 30.196 29.700 -0.058 0.000 1.153 53 E HN 0.022 8.363 8.360 -0.031 0.000 0.428 54 P HA 0.072 4.469 4.420 -0.039 0.000 0.213 54 P C -0.924 176.345 177.300 -0.052 0.000 1.176 54 P CA 0.521 63.594 63.100 -0.045 0.000 0.894 54 P CB 0.787 32.461 31.700 -0.043 0.000 0.771 55 S N -2.455 113.208 115.700 -0.060 0.000 2.604 55 S HA 0.164 4.593 4.470 -0.068 0.000 0.296 55 S C 0.458 175.011 174.600 -0.078 0.000 1.097 55 S CA -0.199 57.962 58.200 -0.066 0.000 0.883 55 S CB 1.309 64.475 63.200 -0.056 0.000 1.081 55 S HN -0.359 7.913 8.310 -0.062 0.000 0.448 56 T N 2.713 117.212 114.554 -0.091 0.000 2.946 56 T HA -0.220 4.057 4.350 -0.122 0.000 0.271 56 T C -0.259 174.390 174.700 -0.086 0.000 1.104 56 T CA 1.994 64.029 62.100 -0.108 0.000 1.114 56 T CB 0.245 69.038 68.868 -0.125 0.000 0.867 56 T HN 0.466 8.652 8.240 -0.090 0.000 0.513 57 Q N -0.751 119.006 119.800 -0.071 0.000 2.320 57 Q HA 0.124 4.429 4.340 -0.059 0.000 0.268 57 Q C -1.698 174.267 176.000 -0.059 0.000 1.023 57 Q CA -1.056 54.711 55.803 -0.059 0.000 0.744 57 Q CB 1.111 29.821 28.738 -0.048 0.000 1.246 57 Q HN -0.602 7.562 8.270 -0.069 0.065 0.462 58 D N 1.145 121.505 120.400 -0.066 0.000 10.694 58 D HA -0.257 4.358 4.640 -0.101 -0.036 0.343 58 D C -0.628 175.629 176.300 -0.072 0.000 3.140 58 D CA 0.550 54.501 54.000 -0.082 0.000 2.670 58 D CB 0.509 41.262 40.800 -0.078 0.000 1.232 58 D HN -0.008 8.463 8.370 -0.065 -0.140 0.946 59 G N -0.335 108.418 108.800 -0.078 0.000 3.655 59 G HA2 -0.143 3.783 3.960 -0.056 0.000 0.219 59 G HA3 -0.143 3.786 3.960 -0.051 0.000 0.219 59 G C -1.176 173.691 174.900 -0.055 0.000 0.933 59 G CA 0.647 45.712 45.100 -0.059 0.000 0.856 59 G HN 0.359 8.589 8.290 -0.100 0.000 0.523 60 N N -0.805 117.855 118.700 -0.066 0.000 3.174 60 N HA 0.136 4.851 4.740 -0.042 0.000 0.286 60 N C 0.071 175.526 175.510 -0.091 0.000 1.151 60 N CA 0.346 53.367 53.050 -0.049 0.000 1.386 60 N CB 0.685 39.167 38.487 -0.008 0.000 0.951 60 N HN -0.240 8.090 8.380 -0.082 0.000 1.170 61 G N -0.085 108.669 108.800 -0.076 0.000 4.205 61 G HA2 -0.192 3.551 3.960 -0.361 0.000 0.200 61 G HA3 -0.192 3.678 3.960 -0.151 0.000 0.200 61 G C 0.146 175.073 174.900 0.044 0.000 1.190 61 G CA 0.739 45.745 45.100 -0.157 0.000 0.861 61 G HN 0.115 8.391 8.290 -0.024 0.000 0.326 62 H N 5.042 124.129 119.070 0.030 0.000 2.265 62 H HA -0.398 4.212 4.556 0.091 0.000 0.293 62 H C 1.563 176.937 175.328 0.077 0.000 1.089 62 H CA 3.769 59.854 56.048 0.063 0.000 1.244 62 H CB -0.240 29.535 29.762 0.021 0.000 1.355 62 H HN 0.192 8.591 8.280 0.198 0.000 0.485 63 G N -2.209 106.624 108.800 0.054 0.000 2.649 63 G HA2 -0.403 3.552 3.960 -0.008 0.000 0.220 63 G HA3 -0.403 3.906 3.960 0.011 -0.342 0.220 63 G C 1.682 176.547 174.900 -0.059 0.000 1.189 63 G CA 2.434 47.527 45.100 -0.012 0.000 0.777 63 G HN 0.328 8.708 8.290 0.150 0.000 0.602 64 T N 2.950 117.474 114.554 -0.050 0.000 2.665 64 T HA -0.468 3.929 4.350 -0.060 -0.082 0.268 64 T C 1.389 176.065 174.700 -0.039 0.000 1.035 64 T CA 4.469 66.534 62.100 -0.058 0.000 1.151 64 T CB -0.223 68.581 68.868 -0.106 0.000 0.862 64 T HN -0.544 7.665 8.240 -0.051 0.000 0.438 65 H N 1.439 120.445 119.070 -0.107 0.000 2.265 65 H HA -0.340 4.198 4.556 -0.031 0.000 0.295 65 H C 2.254 177.471 175.328 -0.185 0.000 1.084 65 H CA 4.261 60.242 56.048 -0.112 0.000 1.261 65 H CB 0.007 29.686 29.762 -0.137 0.000 1.360 65 H HN -0.679 7.596 8.280 0.111 0.071 0.487 66 V N -1.262 118.552 119.914 -0.167 0.000 2.453 66 V HA -0.503 3.513 4.120 -0.173 0.000 0.252 66 V C 1.524 177.548 176.094 -0.117 0.000 1.068 66 V CA 4.073 66.272 62.300 -0.168 0.000 1.070 66 V CB -0.588 31.139 31.823 -0.159 0.000 0.664 66 V HN -0.254 7.778 8.190 -0.263 0.000 0.461 67 A N -0.133 122.633 122.820 -0.089 0.000 1.851 67 A HA -0.363 3.941 4.320 -0.028 0.000 0.216 67 A C 2.017 179.562 177.584 -0.065 0.000 1.195 67 A CA 3.412 55.417 52.037 -0.052 0.000 0.622 67 A CB -0.797 18.181 19.000 -0.036 0.000 0.831 67 A HN 0.008 7.978 8.150 -0.090 0.126 0.444 68 G N -3.627 105.112 108.800 -0.100 0.000 2.471 68 G HA2 -0.235 3.776 3.960 -0.047 0.000 0.219 68 G HA3 -0.235 3.656 3.960 -0.114 0.000 0.219 68 G C 1.700 176.533 174.900 -0.112 0.000 1.125 68 G CA 1.772 46.816 45.100 -0.093 0.000 0.775 68 G HN -0.136 8.081 8.290 -0.122 0.000 0.548 69 T N 3.329 117.771 114.554 -0.187 0.000 3.035 69 T HA -0.157 4.017 4.350 -0.293 0.000 0.268 69 T C 0.135 174.746 174.700 -0.149 0.000 1.109 69 T CA 3.792 65.715 62.100 -0.295 0.000 1.119 69 T CB -0.288 68.311 68.868 -0.448 0.000 0.900 69 T HN -0.014 7.961 8.240 -0.197 0.146 0.503 70 I N -1.301 119.226 120.570 -0.071 0.000 3.081 70 I HA 0.052 4.231 4.170 0.014 0.000 0.274 70 I C -0.443 175.690 176.117 0.026 0.000 1.178 70 I CA 1.297 62.594 61.300 -0.005 0.000 1.460 70 I CB 1.570 39.569 38.000 -0.002 0.000 1.137 70 I HN -0.506 7.479 8.210 -0.080 0.176 0.443 71 A N -3.690 119.136 122.820 0.010 0.000 3.009 71 A HA 0.183 4.682 4.320 0.016 -0.170 0.198 71 A C -2.156 175.424 177.584 -0.007 0.000 1.289 71 A CA -0.675 51.369 52.037 0.011 0.000 1.343 71 A CB 0.241 19.255 19.000 0.023 0.000 1.180 71 A HN -0.504 7.639 8.150 -0.011 0.000 0.689 72 A N 0.103 122.916 122.820 -0.011 0.000 2.583 72 A HA -0.217 4.102 4.320 -0.001 0.000 0.249 72 A C 0.205 177.778 177.584 -0.018 0.000 1.035 72 A CA 1.048 53.080 52.037 -0.009 0.000 0.777 72 A CB 0.053 19.048 19.000 -0.007 0.000 0.942 72 A HN -0.411 7.646 8.150 -0.009 0.088 0.516 73 L N 2.215 123.435 121.223 -0.004 0.000 2.558 73 L HA -0.229 4.394 4.340 -0.029 -0.301 0.301 73 L C 1.350 178.201 176.870 -0.033 0.000 1.267 73 L CA 0.969 55.799 54.840 -0.016 0.000 0.854 73 L CB 0.089 42.151 42.059 0.005 0.000 1.103 73 L HN -0.241 8.045 8.230 0.012 -0.049 0.522 74 N N 3.726 122.393 118.700 -0.055 0.000 3.170 74 N HA 0.063 4.771 4.740 -0.053 0.000 0.305 74 N C -1.052 174.443 175.510 -0.026 0.000 1.499 74 N CA -0.939 52.074 53.050 -0.062 0.000 1.110 74 N CB -1.169 37.246 38.487 -0.119 0.000 1.390 74 N HN 0.475 8.822 8.380 -0.055 0.000 0.508 75 N N 0.754 119.450 118.700 -0.007 0.000 2.336 75 N HA 0.012 4.751 4.740 -0.001 0.000 0.189 75 N C -0.020 175.495 175.510 0.008 0.000 1.113 75 N CA -0.066 52.986 53.050 0.002 0.000 0.858 75 N CB 0.175 38.668 38.487 0.009 0.000 0.970 75 N HN -0.322 8.006 8.380 -0.002 0.051 0.471 76 S N -4.060 111.645 115.700 0.008 0.000 1.646 76 S HA -0.339 4.138 4.470 0.011 0.000 0.244 76 S C -1.388 173.220 174.600 0.014 0.000 0.878 76 S CA 2.096 60.303 58.200 0.011 0.000 1.313 76 S CB -0.272 62.935 63.200 0.011 0.000 1.591 76 S HN -0.040 8.200 8.310 0.004 0.073 0.522 77 I N -1.133 119.453 120.570 0.025 0.000 2.395 77 I HA 0.142 4.330 4.170 0.030 0.000 0.289 77 I C -0.203 175.952 176.117 0.063 0.000 1.023 77 I CA 0.066 61.392 61.300 0.043 0.000 1.350 77 I CB 0.143 38.178 38.000 0.058 0.000 1.409 77 I HN -0.602 7.513 8.210 0.024 0.109 0.507 78 G N 4.244 113.074 108.800 0.051 0.000 2.728 78 G HA2 -0.197 3.782 3.960 0.031 0.000 0.294 78 G HA3 -0.197 3.859 3.960 0.160 0.000 0.294 78 G C -1.330 173.572 174.900 0.003 0.000 1.342 78 G CA -0.960 44.183 45.100 0.071 0.000 0.866 78 G HN 0.129 8.423 8.290 0.007 0.000 0.534 79 V N -3.414 116.511 119.914 0.018 0.000 3.698 79 V HA 0.315 4.608 4.120 -0.009 -0.179 0.280 79 V C -0.553 175.554 176.094 0.022 0.000 0.995 79 V CA -1.553 60.752 62.300 0.007 0.000 1.000 79 V CB 0.682 32.511 31.823 0.009 0.000 1.248 79 V HN -0.088 8.141 8.190 0.064 0.000 0.429 80 L N -0.813 120.431 121.223 0.036 0.000 2.491 80 L HA 0.212 4.554 4.340 0.005 0.000 0.267 80 L C -0.716 176.199 176.870 0.075 0.000 0.971 80 L CA -0.726 54.135 54.840 0.034 0.000 0.857 80 L CB 2.586 44.674 42.059 0.047 0.000 1.226 80 L HN -0.085 8.174 8.230 0.048 0.000 0.408 81 G N 4.080 112.910 108.800 0.049 0.000 2.516 81 G HA2 0.106 4.172 3.960 0.177 0.000 0.276 81 G HA3 0.106 4.330 3.960 0.063 -0.226 0.276 81 G C -0.495 174.505 174.900 0.167 0.000 1.390 81 G CA -0.636 44.529 45.100 0.109 0.000 1.050 81 G HN -0.432 7.862 8.290 0.006 0.000 0.519 82 V N -1.116 118.926 119.914 0.212 0.000 2.649 82 V HA -0.143 4.253 4.120 0.460 0.000 0.248 82 V C -0.262 175.999 176.094 0.279 0.000 1.054 82 V CA 0.655 63.143 62.300 0.314 0.000 1.073 82 V CB -0.162 31.795 31.823 0.224 0.000 0.699 82 V HN 0.118 8.428 8.190 0.200 0.000 0.463 83 A N -2.463 120.415 122.820 0.096 0.000 2.312 83 A HA 0.348 4.695 4.320 0.045 0.000 0.328 83 A C -1.941 175.594 177.584 -0.082 0.000 1.158 83 A CA -2.750 49.300 52.037 0.022 0.000 0.821 83 A CB 1.154 20.184 19.000 0.049 0.000 1.170 83 A HN -0.958 7.245 8.150 0.088 0.000 0.490 84 P HA 0.091 4.413 4.420 -0.163 0.000 0.212 84 P C 0.235 177.509 177.300 -0.044 0.000 1.171 84 P CA 1.310 64.339 63.100 -0.118 0.000 0.892 84 P CB 1.521 33.153 31.700 -0.113 0.000 0.769 85 N N -1.584 117.106 118.700 -0.017 0.000 2.784 85 N HA 0.040 4.786 4.740 0.009 0.000 0.227 85 N C -1.056 174.473 175.510 0.032 0.000 1.109 85 N CA -0.587 52.469 53.050 0.009 0.000 1.184 85 N CB 1.514 40.008 38.487 0.011 0.000 1.554 85 N HN -0.806 7.564 8.380 -0.017 0.000 0.589 86 A N -2.452 120.392 122.820 0.040 0.000 6.861 86 A HA -0.333 4.022 4.320 0.058 0.000 0.278 86 A C -0.905 176.735 177.584 0.092 0.000 2.084 86 A CA 1.041 53.114 52.037 0.061 0.000 0.701 86 A CB -0.286 18.752 19.000 0.062 0.000 1.283 86 A HN 0.031 8.199 8.150 0.031 0.000 0.398 87 E N 0.025 120.298 120.200 0.122 0.000 1.924 87 E HA 0.184 4.662 4.350 0.213 0.000 0.261 87 E C -0.998 175.777 176.600 0.292 0.000 1.088 87 E CA -1.301 55.234 56.400 0.224 0.000 0.909 87 E CB -0.666 29.191 29.700 0.262 0.000 1.112 87 E HN -0.167 8.253 8.360 0.101 0.000 0.425 88 L N 5.207 126.568 121.223 0.231 0.000 2.407 88 L HA -0.049 4.407 4.340 0.193 0.000 0.282 88 L C -0.867 176.199 176.870 0.327 0.000 1.110 88 L CA -0.019 54.951 54.840 0.217 0.000 0.863 88 L CB -0.128 41.996 42.059 0.109 0.000 1.207 88 L HN -0.275 8.055 8.230 0.165 0.000 0.454 89 Y N 6.569 126.904 120.300 0.059 0.000 2.436 89 Y HA 0.263 5.008 4.550 0.066 -0.157 0.336 89 Y C -0.235 175.688 175.900 0.039 0.000 1.318 89 Y CA -1.454 56.690 58.100 0.072 0.000 1.493 89 Y CB 2.313 40.858 38.460 0.142 0.000 1.547 89 Y HN 0.072 8.615 8.280 0.439 0.000 0.549 90 A N -0.836 122.068 122.820 0.141 0.000 2.679 90 A HA 0.288 4.650 4.320 0.069 0.000 0.288 90 A C -2.202 175.379 177.584 -0.006 0.000 1.160 90 A CA -0.539 51.523 52.037 0.041 0.000 0.763 90 A CB 1.665 20.645 19.000 -0.033 0.000 1.270 90 A HN 0.204 8.335 8.150 0.117 0.089 0.417 91 V N 3.219 123.163 119.914 0.051 0.000 2.174 91 V HA 0.134 4.310 4.120 -0.120 -0.129 0.259 91 V C -0.712 175.403 176.094 0.034 0.000 1.261 91 V CA -2.205 60.108 62.300 0.022 0.000 1.137 91 V CB -1.159 30.759 31.823 0.158 0.000 1.290 91 V HN -0.397 7.752 8.190 0.101 0.101 0.486 92 K N 6.073 126.444 120.400 -0.048 0.000 2.036 92 K HA -0.261 4.206 4.320 0.001 -0.147 0.246 92 K C -0.634 176.004 176.600 0.062 0.000 1.148 92 K CA 1.060 57.334 56.287 -0.021 0.000 1.200 92 K CB -0.784 31.663 32.500 -0.088 0.000 0.964 92 K HN -0.344 7.828 8.250 -0.129 0.000 0.364 93 V N 5.148 125.119 119.914 0.096 0.000 3.307 93 V HA -0.002 4.242 4.120 0.207 0.000 0.253 93 V C -1.744 174.397 176.094 0.078 0.000 1.149 93 V CA -0.673 61.703 62.300 0.128 0.000 1.112 93 V CB 1.265 33.151 31.823 0.105 0.000 0.777 93 V HN 0.188 8.425 8.190 0.075 -0.002 0.464 94 L N -3.090 118.165 121.223 0.053 0.000 2.313 94 L HA 0.248 4.609 4.340 0.035 0.000 0.268 94 L C -0.984 175.899 176.870 0.022 0.000 1.010 94 L CA -1.137 53.724 54.840 0.035 0.000 0.814 94 L CB 2.171 44.248 42.059 0.031 0.000 1.304 94 L HN -0.738 7.523 8.230 0.052 0.000 0.441 95 G N -3.049 105.759 108.800 0.013 0.000 2.410 95 G HA2 0.292 4.251 3.960 -0.002 0.000 0.330 95 G HA3 0.292 4.253 3.960 0.001 0.000 0.330 95 G C -0.662 174.236 174.900 -0.002 0.000 1.142 95 G CA -1.400 43.702 45.100 0.002 0.000 0.902 95 G HN -0.022 8.361 8.290 0.013 -0.084 0.491 96 A N 1.167 123.983 122.820 -0.008 0.000 2.139 96 A HA -0.292 4.026 4.320 -0.005 0.000 0.221 96 A C 1.212 178.790 177.584 -0.010 0.000 1.159 96 A CA 2.532 54.564 52.037 -0.009 0.000 0.662 96 A CB -0.571 18.419 19.000 -0.016 0.000 0.796 96 A HN 0.239 8.381 8.150 -0.012 0.000 0.463 97 S N -1.868 113.826 115.700 -0.009 0.000 2.359 97 S HA -0.276 4.188 4.470 -0.011 0.000 0.222 97 S C 1.148 175.740 174.600 -0.013 0.000 1.038 97 S CA 1.933 60.127 58.200 -0.010 0.000 1.051 97 S CB 0.070 63.265 63.200 -0.008 0.000 0.944 97 S HN -0.002 8.244 8.310 -0.008 0.059 0.433 98 G N -2.844 105.949 108.800 -0.012 0.000 3.990 98 G HA2 -0.085 3.860 3.960 -0.025 0.000 0.213 98 G HA3 -0.085 3.863 3.960 -0.020 0.000 0.213 98 G C -1.774 173.117 174.900 -0.014 0.000 0.849 98 G CA -0.227 44.862 45.100 -0.018 0.000 0.857 98 G HN -0.469 7.817 8.290 -0.007 0.000 0.484 99 S N 0.342 116.039 115.700 -0.005 0.000 2.288 99 S HA 0.124 4.597 4.470 0.005 0.000 0.258 99 S C -0.808 173.796 174.600 0.007 0.000 0.919 99 S CA -0.259 57.942 58.200 0.001 0.000 1.010 99 S CB 1.329 64.527 63.200 -0.003 0.000 1.231 99 S HN -0.397 7.910 8.310 -0.004 0.000 0.403 100 G N 1.672 110.480 108.800 0.015 0.000 2.785 100 G HA2 -0.052 3.917 3.960 0.016 0.000 0.256 100 G HA3 -0.052 3.924 3.960 0.028 0.000 0.256 100 G C -0.709 174.202 174.900 0.018 0.000 1.248 100 G CA -0.020 45.092 45.100 0.019 0.000 0.914 100 G HN -0.003 8.298 8.290 0.017 0.000 0.580 101 S N -0.700 115.013 115.700 0.020 0.000 2.634 101 S HA 0.009 4.487 4.470 0.014 0.000 0.261 101 S C 1.274 175.887 174.600 0.021 0.000 1.271 101 S CA -0.799 57.411 58.200 0.018 0.000 0.985 101 S CB 1.613 64.824 63.200 0.018 0.000 0.968 101 S HN -0.455 7.869 8.310 0.024 0.000 0.568 102 V N 1.404 121.330 119.914 0.020 0.000 2.913 102 V HA -0.268 3.868 4.120 0.027 0.000 0.260 102 V C 1.623 177.729 176.094 0.020 0.000 1.098 102 V CA 2.275 64.589 62.300 0.024 0.000 1.121 102 V CB -0.524 31.316 31.823 0.028 0.000 0.714 102 V HN 0.495 8.696 8.190 0.017 0.000 0.487 103 S N -1.568 114.143 115.700 0.019 0.000 2.481 103 S HA -0.092 4.384 4.470 0.010 0.000 0.231 103 S C 1.657 176.264 174.600 0.012 0.000 0.996 103 S CA 2.987 61.196 58.200 0.015 0.000 0.942 103 S CB -0.385 62.828 63.200 0.020 0.000 0.768 103 S HN 0.212 8.485 8.310 0.020 0.049 0.520 104 S N 2.908 118.621 115.700 0.023 0.000 2.371 104 S HA -0.124 4.374 4.470 0.047 0.000 0.219 104 S C 1.398 176.006 174.600 0.014 0.000 1.040 104 S CA 3.444 61.665 58.200 0.035 0.000 0.958 104 S CB 0.330 63.562 63.200 0.052 0.000 0.860 104 S HN -0.297 7.834 8.310 0.024 0.194 0.487 105 I N 0.791 121.372 120.570 0.018 0.000 2.361 105 I HA -0.503 3.680 4.170 0.022 0.000 0.251 105 I C 1.713 177.828 176.117 -0.003 0.000 1.133 105 I CA 3.697 65.006 61.300 0.015 0.000 1.413 105 I CB -1.032 36.982 38.000 0.022 0.000 1.073 105 I HN -0.404 7.820 8.210 0.023 0.000 0.424 106 A N -0.601 122.215 122.820 -0.007 0.000 1.855 106 A HA -0.226 4.091 4.320 -0.005 0.000 0.213 106 A C 1.424 178.972 177.584 -0.060 0.000 1.195 106 A CA 3.015 55.042 52.037 -0.016 0.000 0.610 106 A CB -0.361 18.637 19.000 -0.003 0.000 0.837 106 A HN -0.013 8.116 8.150 0.000 0.021 0.444 107 Q N -1.111 118.628 119.800 -0.102 0.000 2.291 107 Q HA -0.256 3.976 4.340 -0.180 0.000 0.206 107 Q C 2.820 178.585 176.000 -0.392 0.000 0.976 107 Q CA 2.237 57.897 55.803 -0.239 0.000 0.875 107 Q CB -0.752 27.824 28.738 -0.270 0.000 0.927 107 Q HN -0.378 7.745 8.270 -0.068 0.107 0.450 108 G N -0.586 108.074 108.800 -0.233 0.000 2.426 108 G HA2 -0.124 3.669 3.960 -0.278 0.000 0.214 108 G HA3 -0.124 3.825 3.960 -0.018 0.000 0.214 108 G C 0.725 175.633 174.900 0.013 0.000 1.156 108 G CA 1.147 46.171 45.100 -0.127 0.000 0.802 108 G HN 0.133 8.210 8.290 -0.132 0.134 0.534 109 L N -1.017 120.203 121.223 -0.004 0.000 2.492 109 L HA -0.225 4.138 4.340 0.039 0.000 0.223 109 L C 0.097 176.971 176.870 0.005 0.000 1.132 109 L CA 1.804 56.653 54.840 0.015 0.000 0.850 109 L CB -0.049 42.011 42.059 0.002 0.000 0.966 109 L HN -0.551 7.573 8.230 -0.028 0.089 0.454 110 E N -1.800 118.392 120.200 -0.015 0.000 2.251 110 E HA -0.137 4.198 4.350 -0.025 0.000 0.194 110 E C 1.469 178.064 176.600 -0.008 0.000 0.964 110 E CA 1.424 57.811 56.400 -0.023 0.000 0.868 110 E CB 0.924 30.603 29.700 -0.035 0.000 0.828 110 E HN -0.471 7.703 8.360 -0.044 0.159 0.481 111 W N 0.675 121.854 121.300 -0.202 0.000 2.465 111 W HA -0.227 4.378 4.660 -0.092 0.000 0.268 111 W C 0.203 176.705 176.519 -0.027 0.000 1.242 111 W CA 3.650 60.910 57.345 -0.142 0.000 1.248 111 W CB 0.333 29.614 29.460 -0.298 0.000 1.118 111 W HN -0.148 7.951 8.180 0.031 0.099 0.587 112 A N -2.940 119.924 122.820 0.074 0.000 2.132 112 A HA -0.006 4.122 4.320 -0.267 0.031 0.213 112 A C 2.084 179.571 177.584 -0.161 0.000 1.154 112 A CA 1.426 53.421 52.037 -0.070 0.000 0.753 112 A CB -0.911 18.140 19.000 0.085 0.000 0.826 112 A HN -0.404 7.792 8.150 0.141 0.039 0.469 113 G N -1.377 107.352 108.800 -0.119 0.000 2.450 113 G HA2 -0.341 3.614 3.960 -0.080 0.000 0.220 113 G HA3 -0.341 3.629 3.960 -0.082 -0.059 0.220 113 G C 0.167 174.974 174.900 -0.155 0.000 1.130 113 G CA 2.215 47.252 45.100 -0.106 0.000 0.760 113 G HN -0.261 7.796 8.290 -0.078 0.187 0.557 114 N N -1.850 116.700 118.700 -0.249 0.000 2.517 114 N HA -0.071 4.563 4.740 -0.178 0.000 0.202 114 N C 0.768 176.058 175.510 -0.366 0.000 1.042 114 N CA 1.287 54.178 53.050 -0.265 0.000 0.952 114 N CB 0.256 38.588 38.487 -0.258 0.000 1.211 114 N HN -0.879 7.303 8.380 -0.304 0.015 0.458 115 N N 0.609 118.904 118.700 -0.675 0.000 2.558 115 N HA 0.138 4.629 4.740 -0.415 0.000 0.281 115 N C 0.137 175.203 175.510 -0.740 0.000 1.219 115 N CA -0.886 51.717 53.050 -0.744 0.000 0.942 115 N CB -0.110 37.744 38.487 -1.055 0.000 1.241 115 N HN -0.488 7.349 8.380 -0.905 0.000 0.511 116 G N -2.153 106.394 108.800 -0.422 0.000 3.383 116 G HA2 0.110 4.017 3.960 -0.089 0.000 0.251 116 G HA3 0.110 4.059 3.960 -0.128 -0.066 0.251 116 G C -0.767 174.032 174.900 -0.168 0.000 1.203 116 G CA -0.528 44.456 45.100 -0.194 0.000 0.852 116 G HN -0.243 7.724 8.290 -0.360 0.107 0.531 117 M N -4.605 114.865 119.600 -0.217 0.000 7.319 117 M HA -0.491 3.906 4.480 -0.138 0.000 0.229 117 M C -0.615 175.644 176.300 -0.068 0.000 0.480 117 M CA 1.284 56.482 55.300 -0.169 0.000 1.311 117 M CB -2.302 30.130 32.600 -0.280 0.000 0.421 117 M HN -0.746 7.285 8.290 -0.264 0.101 0.214 118 H N 1.834 120.849 119.070 -0.092 0.000 2.525 118 H HA 0.054 4.584 4.556 -0.043 0.000 0.275 118 H C -0.590 174.720 175.328 -0.030 0.000 0.984 118 H CA 1.401 57.421 56.048 -0.046 0.000 1.264 118 H CB 1.295 31.043 29.762 -0.024 0.000 1.432 118 H HN 0.133 8.452 8.280 0.065 0.000 0.549 119 V N -0.497 119.070 119.914 -0.579 0.000 3.126 119 V HA 0.615 4.635 4.120 -0.419 -0.151 0.314 119 V C -1.738 174.231 176.094 -0.209 0.000 1.138 119 V CA -1.643 60.363 62.300 -0.490 0.000 1.034 119 V CB 4.586 36.059 31.823 -0.584 0.000 1.075 119 V HN -0.702 7.263 8.190 -0.376 0.000 0.442 120 A N 0.697 123.440 122.820 -0.127 0.000 2.530 120 A HA 0.303 4.825 4.320 -0.022 -0.215 0.297 120 A C -3.017 174.554 177.584 -0.022 0.000 1.059 120 A CA -0.151 51.861 52.037 -0.042 0.000 0.782 120 A CB 2.420 21.413 19.000 -0.012 0.000 1.301 120 A HN 0.527 8.596 8.150 -0.135 0.000 0.394 121 N N 2.414 121.117 118.700 0.004 0.000 2.430 121 N HA 0.273 5.013 4.740 -0.000 0.000 0.298 121 N C -2.437 173.089 175.510 0.026 0.000 1.130 121 N CA -1.230 51.826 53.050 0.011 0.000 0.894 121 N CB 2.830 41.326 38.487 0.016 0.000 1.209 121 N HN -0.103 8.288 8.380 0.018 0.000 0.503 122 L N 2.188 123.424 121.223 0.023 0.000 2.492 122 L HA 0.265 4.630 4.340 0.041 0.000 0.258 122 L C -1.040 175.853 176.870 0.038 0.000 1.028 122 L CA -0.189 54.668 54.840 0.028 0.000 0.900 122 L CB 2.064 44.126 42.059 0.004 0.000 1.191 122 L HN 0.178 8.418 8.230 0.016 0.000 0.459 123 S N 4.434 120.174 115.700 0.067 0.000 3.983 123 S HA 0.068 4.583 4.470 0.075 0.000 0.194 123 S C -0.852 173.780 174.600 0.055 0.000 1.464 123 S CA 0.220 58.474 58.200 0.089 0.000 1.021 123 S CB -1.171 62.144 63.200 0.191 0.000 1.424 123 S HN 0.481 8.837 8.310 0.077 0.000 0.473 124 L N -2.877 118.365 121.223 0.032 0.000 2.502 124 L HA 0.396 4.740 4.340 0.006 0.000 0.253 124 L C -2.159 174.725 176.870 0.024 0.000 1.070 124 L CA -0.526 54.325 54.840 0.019 0.000 0.871 124 L CB 2.061 44.133 42.059 0.022 0.000 1.487 124 L HN -0.567 7.611 8.230 0.028 0.069 0.408 125 G N -1.845 106.974 108.800 0.032 0.000 2.287 125 G HA2 0.030 4.362 3.960 0.089 0.000 0.303 125 G HA3 0.030 4.036 3.960 0.076 0.000 0.303 125 G C -0.776 174.161 174.900 0.062 0.000 2.212 125 G CA 0.533 45.676 45.100 0.070 0.000 0.928 125 G HN 0.142 8.445 8.290 0.022 0.000 0.440 126 S N 5.108 120.846 115.700 0.062 0.000 2.578 126 S HA 0.407 4.871 4.470 -0.009 0.000 0.283 126 S C -0.917 173.631 174.600 -0.086 0.000 1.195 126 S CA -2.994 55.207 58.200 0.001 0.000 1.050 126 S CB 1.712 64.914 63.200 0.003 0.000 1.012 126 S HN -0.459 7.906 8.310 0.091 0.000 0.511 127 P HA 0.129 4.305 4.420 -0.407 0.000 0.241 127 P C -0.727 176.409 177.300 -0.274 0.000 1.191 127 P CA 0.300 63.246 63.100 -0.256 0.000 0.771 127 P CB 0.580 32.196 31.700 -0.140 0.000 0.929 128 S N 0.455 116.057 115.700 -0.163 0.000 2.404 128 S HA 0.283 4.687 4.470 -0.111 0.000 0.309 128 S C -1.242 173.323 174.600 -0.059 0.000 1.076 128 S CA -3.083 55.056 58.200 -0.102 0.000 1.095 128 S CB 0.649 63.822 63.200 -0.046 0.000 0.972 128 S HN -0.600 7.560 8.310 -0.115 0.081 0.484 129 P HA 0.153 4.705 4.420 0.219 0.000 0.276 129 P C -1.091 176.262 177.300 0.087 0.000 1.261 129 P CA -0.426 62.733 63.100 0.097 0.000 0.800 129 P CB 1.009 32.773 31.700 0.108 0.000 1.066 130 S N -1.960 113.818 115.700 0.129 0.000 2.583 130 S HA 0.076 4.578 4.470 0.055 0.000 0.294 130 S C 0.252 174.906 174.600 0.089 0.000 1.121 130 S CA 0.279 58.527 58.200 0.081 0.000 0.910 130 S CB 1.634 64.872 63.200 0.063 0.000 1.102 130 S HN 0.035 8.469 8.310 0.206 0.000 0.451 131 A N 5.755 128.609 122.820 0.056 0.000 2.121 131 A HA -0.003 4.353 4.320 0.059 0.000 0.218 131 A C 1.094 178.707 177.584 0.049 0.000 1.154 131 A CA 2.088 54.155 52.037 0.049 0.000 0.679 131 A CB -0.058 18.957 19.000 0.026 0.000 0.795 131 A HN 0.630 8.805 8.150 0.041 0.000 0.458 132 T N 0.051 114.631 114.554 0.044 0.000 2.833 132 T HA -0.249 4.117 4.350 0.027 0.000 0.269 132 T C 1.547 176.273 174.700 0.042 0.000 1.054 132 T CA 3.536 65.656 62.100 0.035 0.000 1.135 132 T CB -0.557 68.328 68.868 0.028 0.000 0.869 132 T HN 0.034 8.257 8.240 0.044 0.044 0.466 133 L N 0.942 122.204 121.223 0.065 0.000 2.179 133 L HA -0.156 4.212 4.340 0.046 0.000 0.208 133 L C 1.165 178.087 176.870 0.086 0.000 1.096 133 L CA 2.471 57.355 54.840 0.073 0.000 0.779 133 L CB -0.186 41.936 42.059 0.104 0.000 0.922 133 L HN -0.255 7.876 8.230 0.076 0.145 0.443 134 E N -0.859 119.407 120.200 0.110 0.000 2.150 134 E HA -0.419 4.016 4.350 0.142 0.000 0.193 134 E C 2.214 178.850 176.600 0.059 0.000 0.985 134 E CA 3.370 59.835 56.400 0.109 0.000 0.814 134 E CB -0.197 29.562 29.700 0.098 0.000 0.752 134 E HN -0.592 7.731 8.360 0.110 0.103 0.466 135 Q N -0.630 119.195 119.800 0.042 0.000 2.230 135 Q HA -0.241 4.112 4.340 0.021 0.000 0.202 135 Q C 1.662 177.672 176.000 0.017 0.000 0.963 135 Q CA 2.962 58.779 55.803 0.024 0.000 0.866 135 Q CB -0.326 28.423 28.738 0.018 0.000 0.931 135 Q HN -0.001 8.183 8.270 0.046 0.114 0.452 136 A N -0.982 121.850 122.820 0.019 0.000 1.874 136 A HA -0.212 4.106 4.320 -0.003 0.000 0.214 136 A C 1.963 179.551 177.584 0.007 0.000 1.189 136 A CA 2.776 54.816 52.037 0.006 0.000 0.615 136 A CB -0.664 18.338 19.000 0.003 0.000 0.830 136 A HN -0.870 7.142 8.150 0.030 0.156 0.443 137 V N -1.170 118.755 119.914 0.018 0.000 2.594 137 V HA -0.474 3.647 4.120 0.002 0.000 0.253 137 V C 1.365 177.467 176.094 0.013 0.000 1.069 137 V CA 4.300 66.609 62.300 0.014 0.000 1.082 137 V CB -0.090 31.751 31.823 0.029 0.000 0.680 137 V HN -0.139 8.070 8.190 0.031 0.000 0.469 138 N N -0.998 117.712 118.700 0.017 0.000 2.188 138 N HA -0.295 4.452 4.740 0.012 0.000 0.184 138 N C 1.739 177.248 175.510 -0.001 0.000 1.018 138 N CA 3.404 56.460 53.050 0.010 0.000 0.858 138 N CB 0.134 38.628 38.487 0.012 0.000 0.989 138 N HN -0.113 8.154 8.380 0.024 0.127 0.426 139 S N -0.924 114.773 115.700 -0.005 0.000 2.489 139 S HA -0.124 4.336 4.470 -0.018 0.000 0.228 139 S C 0.965 175.550 174.600 -0.024 0.000 0.995 139 S CA 2.025 60.215 58.200 -0.017 0.000 0.934 139 S CB -0.118 63.069 63.200 -0.021 0.000 0.771 139 S HN -0.352 7.830 8.310 -0.001 0.127 0.522 140 A N 0.911 123.721 122.820 -0.017 0.000 1.935 140 A HA -0.073 4.229 4.320 -0.032 0.000 0.214 140 A C 1.789 179.362 177.584 -0.018 0.000 1.178 140 A CA 2.766 54.791 52.037 -0.021 0.000 0.640 140 A CB -0.167 18.824 19.000 -0.016 0.000 0.825 140 A HN -0.365 7.593 8.150 -0.009 0.186 0.447 141 T N -1.111 113.436 114.554 -0.010 0.000 3.014 141 T HA -0.140 4.205 4.350 -0.007 0.000 0.263 141 T C 1.632 176.326 174.700 -0.010 0.000 1.078 141 T CA 2.995 65.091 62.100 -0.007 0.000 1.135 141 T CB -0.521 68.346 68.868 -0.002 0.000 0.895 141 T HN -0.047 8.189 8.240 -0.006 0.000 0.480 142 S N 0.170 115.863 115.700 -0.012 0.000 2.419 142 S HA -0.153 4.310 4.470 -0.011 0.000 0.233 142 S C 0.783 175.372 174.600 -0.019 0.000 1.016 142 S CA 2.518 60.709 58.200 -0.014 0.000 0.974 142 S CB 0.191 63.381 63.200 -0.016 0.000 0.786 142 S HN -0.509 7.769 8.310 -0.012 0.025 0.492 143 R N -2.060 118.425 120.500 -0.024 0.000 2.344 143 R HA 0.184 4.509 4.340 -0.025 0.000 0.209 143 R C -0.007 176.283 176.300 -0.017 0.000 0.886 143 R CA -0.956 55.127 56.100 -0.028 0.000 1.040 143 R CB 1.557 31.828 30.300 -0.048 0.000 1.114 143 R HN -0.912 7.205 8.270 -0.025 0.138 0.547 144 G N 0.284 109.077 108.800 -0.012 0.000 2.884 144 G HA2 -0.287 3.674 3.960 0.003 0.000 0.261 144 G HA3 -0.287 3.728 3.960 0.011 -0.049 0.261 144 G C -2.028 172.875 174.900 0.005 0.000 1.025 144 G CA -0.059 45.043 45.100 0.003 0.000 1.228 144 G HN -0.137 8.034 8.290 -0.015 0.110 0.558 145 V N 3.480 123.389 119.914 -0.009 0.000 2.380 145 V HA 0.173 4.277 4.120 -0.027 0.000 0.286 145 V C -0.961 175.112 176.094 -0.035 0.000 1.015 145 V CA -1.706 60.577 62.300 -0.028 0.000 0.834 145 V CB 1.234 33.032 31.823 -0.041 0.000 1.009 145 V HN -0.449 7.735 8.190 -0.010 0.000 0.428 146 L N 9.311 130.507 121.223 -0.046 0.000 2.562 146 L HA -0.015 4.315 4.340 -0.017 0.000 0.271 146 L C -1.880 174.950 176.870 -0.067 0.000 1.167 146 L CA 0.227 55.040 54.840 -0.045 0.000 0.917 146 L CB 0.456 42.490 42.059 -0.041 0.000 1.187 146 L HN 0.157 8.359 8.230 -0.045 0.000 0.482 147 V N 6.046 125.935 119.914 -0.042 0.000 2.513 147 V HA 0.906 5.309 4.120 -0.044 -0.309 0.299 147 V C -1.112 174.964 176.094 -0.031 0.000 1.035 147 V CA -2.897 59.379 62.300 -0.039 0.000 0.889 147 V CB 1.636 33.437 31.823 -0.036 0.000 0.988 147 V HN 0.393 8.564 8.190 -0.031 0.000 0.440 148 V N 5.680 125.581 119.914 -0.023 0.000 2.361 148 V HA 0.270 4.471 4.120 -0.014 -0.089 0.252 148 V C -1.235 174.855 176.094 -0.006 0.000 0.986 148 V CA -2.588 59.706 62.300 -0.010 0.000 1.033 148 V CB 0.248 32.073 31.823 0.003 0.000 1.282 148 V HN -0.203 7.974 8.190 -0.022 0.000 0.514 149 A N 4.910 127.717 122.820 -0.023 0.000 2.536 149 A HA -0.096 4.325 4.320 -0.005 -0.104 0.234 149 A C -1.364 176.221 177.584 0.002 0.000 1.076 149 A CA 0.649 52.675 52.037 -0.019 0.000 0.769 149 A CB 0.863 19.828 19.000 -0.058 0.000 1.020 149 A HN -0.335 7.792 8.150 -0.039 0.000 0.508 150 A N 0.028 122.861 122.820 0.021 0.000 2.275 150 A HA 0.282 4.632 4.320 0.050 0.000 0.282 150 A C -0.276 177.329 177.584 0.035 0.000 1.275 150 A CA -0.571 51.492 52.037 0.043 0.000 0.842 150 A CB 1.236 20.275 19.000 0.065 0.000 1.280 150 A HN -0.235 7.928 8.150 0.021 0.000 0.508 151 S N -1.248 114.487 115.700 0.059 0.000 2.356 151 S HA -0.038 4.453 4.470 0.035 0.000 0.179 151 S C 0.435 175.075 174.600 0.066 0.000 0.940 151 S CA 1.227 59.463 58.200 0.060 0.000 0.955 151 S CB 1.006 64.260 63.200 0.091 0.000 0.861 151 S HN -0.260 8.096 8.310 0.077 0.000 0.527 152 G N -1.297 107.555 108.800 0.087 0.000 3.019 152 G HA2 -0.019 3.971 3.960 0.051 0.000 0.125 152 G HA3 -0.019 3.989 3.960 0.080 0.000 0.125 152 G C -2.567 172.382 174.900 0.083 0.000 1.193 152 G CA 0.117 45.261 45.100 0.074 0.000 1.432 152 G HN -0.122 8.234 8.290 0.110 0.000 0.687 153 N N 0.304 119.067 118.700 0.105 0.000 3.129 153 N HA 0.082 5.091 4.740 0.219 -0.138 0.176 153 N C -1.468 174.130 175.510 0.147 0.000 1.187 153 N CA 0.287 53.412 53.050 0.124 0.000 2.362 153 N CB 1.352 39.840 38.487 0.002 0.000 1.270 153 N HN 0.188 8.631 8.380 0.105 0.000 0.730 154 S N -2.664 113.128 115.700 0.153 0.000 3.285 154 S HA -0.202 4.352 4.470 0.139 0.000 0.787 154 S C -1.797 172.860 174.600 0.095 0.000 0.607 154 S CA 1.389 59.669 58.200 0.134 0.000 1.506 154 S CB -0.284 63.004 63.200 0.146 0.000 1.010 154 S HN -0.020 8.383 8.310 0.154 0.000 0.914 155 G N 4.096 112.952 108.800 0.093 0.000 2.167 155 G HA2 0.025 4.021 3.960 0.061 0.000 0.300 155 G HA3 0.025 4.022 3.960 0.062 0.000 0.300 155 G C -1.908 173.037 174.900 0.076 0.000 1.842 155 G CA 0.326 45.469 45.100 0.071 0.000 1.035 155 G HN -0.057 8.298 8.290 0.108 0.000 0.489 156 A N 1.807 124.671 122.820 0.073 0.000 5.865 156 A HA -0.230 4.132 4.320 0.069 0.000 0.441 156 A C 0.276 177.923 177.584 0.106 0.000 1.559 156 A CA 0.055 52.138 52.037 0.076 0.000 0.547 156 A CB 0.497 19.534 19.000 0.062 0.000 2.441 156 A HN 0.026 8.217 8.150 0.067 0.000 0.448 157 G N -2.759 106.108 108.800 0.111 0.000 3.581 157 G HA2 0.026 4.144 3.960 0.263 0.000 0.255 157 G HA3 0.026 4.097 3.960 0.185 0.000 0.255 157 G C -1.433 173.489 174.900 0.035 0.000 1.121 157 G CA 0.246 45.443 45.100 0.161 0.000 1.739 157 G HN 0.261 8.606 8.290 0.092 0.000 0.646 158 S N -1.051 114.666 115.700 0.029 0.000 2.671 158 S HA 0.240 4.621 4.470 -0.131 0.010 0.277 158 S C -1.917 172.690 174.600 0.012 0.000 1.165 158 S CA -1.238 56.953 58.200 -0.014 0.000 0.822 158 S CB 2.690 65.949 63.200 0.098 0.000 1.150 158 S HN -0.494 7.773 8.310 0.076 0.089 0.479 159 I N -2.274 118.293 120.570 -0.005 0.000 3.619 159 I HA 0.224 4.416 4.170 0.037 0.000 0.284 159 I C -0.965 175.205 176.117 0.088 0.000 1.240 159 I CA -2.156 59.151 61.300 0.012 0.000 1.016 159 I CB 1.573 39.539 38.000 -0.056 0.000 1.374 159 I HN 0.034 8.222 8.210 -0.038 0.000 0.553 160 S N -0.972 114.763 115.700 0.059 0.000 2.612 160 S HA -0.137 4.449 4.470 0.194 0.000 0.253 160 S C -1.342 173.320 174.600 0.104 0.000 1.346 160 S CA 0.428 58.699 58.200 0.120 0.000 0.976 160 S CB 0.572 63.798 63.200 0.043 0.000 0.949 160 S HN -0.332 7.993 8.310 0.025 0.000 0.584 161 Y N -0.901 119.353 120.300 -0.076 0.000 2.361 161 Y HA 0.191 4.589 4.550 -0.253 0.000 0.337 161 Y C -1.182 174.616 175.900 -0.170 0.000 0.965 161 Y CA -2.540 55.474 58.100 -0.142 0.000 1.091 161 Y CB 1.457 39.904 38.460 -0.022 0.000 1.182 161 Y HN 0.243 8.665 8.280 0.237 0.000 0.450 162 P HA -0.201 3.492 4.420 -1.212 0.000 0.215 162 P C 0.494 177.357 177.300 -0.728 0.000 1.157 162 P CA 1.613 64.236 63.100 -0.795 0.000 0.856 162 P CB 0.465 31.742 31.700 -0.704 0.000 0.786 163 A N -0.464 122.131 122.820 -0.376 0.000 1.833 163 A HA -0.508 3.708 4.320 -0.174 0.000 0.360 163 A C 1.301 178.713 177.584 -0.287 0.000 5.277 163 A CA 2.828 54.718 52.037 -0.245 0.000 1.033 163 A CB -1.749 17.162 19.000 -0.148 0.000 0.922 163 A HN -0.029 7.952 8.150 -0.280 0.000 0.549 164 R N 0.062 120.357 120.500 -0.342 0.000 2.168 164 R HA -0.315 3.924 4.340 -0.169 0.000 0.242 164 R C 0.752 176.959 176.300 -0.155 0.000 1.123 164 R CA 2.746 58.697 56.100 -0.248 0.000 0.928 164 R CB 0.301 30.413 30.300 -0.313 0.000 0.873 164 R HN -0.147 7.890 8.270 -0.385 0.002 0.434 165 Y N -5.124 115.029 120.300 -0.245 0.000 2.968 165 Y HA 0.243 4.721 4.550 -0.119 0.000 0.316 165 Y C -0.841 174.993 175.900 -0.110 0.000 1.359 165 Y CA -2.089 55.919 58.100 -0.152 0.000 1.107 165 Y CB 1.499 39.871 38.460 -0.146 0.000 1.374 165 Y HN -0.391 7.356 8.280 -0.772 0.070 0.621 166 A N -2.182 120.734 122.820 0.160 0.000 3.380 166 A HA -0.290 4.140 4.320 0.182 0.000 0.225 166 A C -1.204 176.377 177.584 -0.005 0.000 1.323 166 A CA 0.304 52.369 52.037 0.047 0.000 0.980 166 A CB -1.376 17.503 19.000 -0.201 0.000 1.098 166 A HN 0.289 8.682 8.150 0.406 0.000 0.727 167 N N -5.944 112.765 118.700 0.015 0.000 2.708 167 N HA -0.434 4.306 4.740 0.001 0.000 0.251 167 N C -1.659 173.832 175.510 -0.030 0.000 1.123 167 N CA 1.180 54.227 53.050 -0.004 0.000 0.739 167 N CB -0.325 38.164 38.487 0.003 0.000 1.113 167 N HN 0.325 8.709 8.380 0.053 0.027 0.561 168 A N -3.268 119.514 122.820 -0.063 0.000 2.292 168 A HA 0.120 4.521 4.320 -0.052 -0.111 0.319 168 A C -0.753 176.789 177.584 -0.069 0.000 1.206 168 A CA -0.811 51.182 52.037 -0.074 0.000 0.835 168 A CB 1.693 20.624 19.000 -0.115 0.000 1.164 168 A HN -0.977 7.068 8.150 -0.083 0.055 0.505 169 M N 3.578 123.152 119.600 -0.043 0.000 2.241 169 M HA -0.082 4.378 4.480 -0.033 0.000 0.335 169 M C -0.755 175.523 176.300 -0.036 0.000 1.122 169 M CA 0.755 56.036 55.300 -0.031 0.000 1.164 169 M CB 0.869 33.464 32.600 -0.009 0.000 1.459 169 M HN -0.053 8.216 8.290 -0.035 0.000 0.461 170 A N 0.906 123.707 122.820 -0.031 0.000 2.318 170 A HA 0.709 5.150 4.320 -0.025 -0.137 0.317 170 A C -1.764 175.826 177.584 0.009 0.000 1.159 170 A CA -1.604 50.419 52.037 -0.024 0.000 0.799 170 A CB 2.067 21.038 19.000 -0.048 0.000 1.194 170 A HN 0.249 8.383 8.150 -0.026 0.000 0.479 171 V N 2.742 122.673 119.914 0.028 0.000 3.096 171 V HA 0.686 5.010 4.120 0.050 -0.174 0.319 171 V C 0.127 176.263 176.094 0.071 0.000 1.082 171 V CA -1.840 60.491 62.300 0.052 0.000 1.022 171 V CB 2.965 34.825 31.823 0.061 0.000 1.103 171 V HN -0.014 8.191 8.190 0.025 0.000 0.455 172 G N -0.677 108.176 108.800 0.087 0.000 2.680 172 G HA2 0.400 4.431 3.960 0.119 0.000 0.290 172 G HA3 0.400 4.429 3.960 0.115 0.000 0.290 172 G C -2.788 172.183 174.900 0.120 0.000 1.355 172 G CA -1.700 43.467 45.100 0.111 0.000 0.903 172 G HN -0.188 8.069 8.290 0.082 0.082 0.474 173 A N -1.738 121.167 122.820 0.142 0.000 2.256 173 A HA 1.109 5.653 4.320 0.129 -0.146 0.318 173 A C -1.118 176.512 177.584 0.075 0.000 1.103 173 A CA -1.905 50.214 52.037 0.137 0.000 0.860 173 A CB 2.413 21.554 19.000 0.236 0.000 1.182 173 A HN -0.343 7.900 8.150 0.155 0.000 0.501 174 T N -5.503 109.078 114.554 0.044 0.000 2.804 174 T HA 0.708 5.170 4.350 0.030 -0.095 0.290 174 T C -1.016 173.713 174.700 0.048 0.000 1.099 174 T CA -2.224 59.889 62.100 0.021 0.000 1.011 174 T CB 2.836 71.694 68.868 -0.016 0.000 1.291 174 T HN -0.159 8.116 8.240 0.058 0.000 0.523 175 D N 0.225 120.663 120.400 0.063 0.000 2.443 175 D HA 0.228 4.965 4.640 0.162 0.000 0.249 175 D C 0.212 176.678 176.300 0.276 0.000 1.218 175 D CA -1.796 52.285 54.000 0.133 0.000 1.108 175 D CB 1.872 42.697 40.800 0.042 0.000 1.197 175 D HN -0.144 8.246 8.370 0.033 0.000 0.600 176 Q N -0.479 119.447 119.800 0.211 0.000 2.028 176 Q HA -0.373 4.161 4.340 0.323 0.000 0.213 176 Q C 0.278 176.456 176.000 0.297 0.000 1.017 176 Q CA 3.627 59.586 55.803 0.261 0.000 0.875 176 Q CB 0.268 29.069 28.738 0.104 0.000 0.962 176 Q HN 0.334 8.674 8.270 0.116 0.000 0.413 177 N N -4.667 114.105 118.700 0.121 0.000 2.909 177 N HA 0.053 4.825 4.740 0.055 0.000 0.243 177 N C 0.391 175.885 175.510 -0.028 0.000 1.018 177 N CA 1.438 54.514 53.050 0.043 0.000 1.068 177 N CB 1.393 39.889 38.487 0.016 0.000 1.651 177 N HN 0.004 8.431 8.380 0.078 0.000 0.509 178 N N -4.058 114.613 118.700 -0.048 0.000 2.104 178 N HA -0.030 4.664 4.740 -0.078 0.000 0.227 178 N C -0.773 174.667 175.510 -0.117 0.000 1.321 178 N CA 0.229 53.221 53.050 -0.095 0.000 0.877 178 N CB 0.875 39.276 38.487 -0.143 0.000 1.117 178 N HN -0.089 8.267 8.380 -0.040 0.000 0.486 179 N N 0.495 119.138 118.700 -0.095 0.000 2.239 179 N HA -0.281 4.365 4.740 -0.157 0.000 0.225 179 N C -0.288 175.225 175.510 0.005 0.000 1.283 179 N CA 0.931 53.936 53.050 -0.075 0.000 0.868 179 N CB 0.601 39.068 38.487 -0.032 0.000 1.098 179 N HN -0.205 8.134 8.380 -0.069 0.000 0.436 180 R N 1.342 121.890 120.500 0.080 0.000 2.489 180 R HA -0.185 4.234 4.340 0.132 0.000 0.287 180 R C -0.180 176.122 176.300 0.002 0.000 1.053 180 R CA -0.000 56.160 56.100 0.101 0.000 1.036 180 R CB -0.425 29.953 30.300 0.129 0.000 0.966 180 R HN 0.393 8.723 8.270 0.100 0.000 0.432 181 A N 6.896 129.689 122.820 -0.045 0.000 2.192 181 A HA -0.114 4.119 4.320 -0.145 0.000 0.285 181 A C -0.341 177.096 177.584 -0.245 0.000 1.515 181 A CA 1.131 53.053 52.037 -0.193 0.000 0.885 181 A CB 0.305 19.097 19.000 -0.347 0.000 1.274 181 A HN -0.021 8.126 8.150 -0.006 0.000 0.553 182 S N -3.028 112.381 115.700 -0.484 0.000 2.575 182 S HA -0.025 4.361 4.470 -0.141 0.000 0.230 182 S C -0.049 174.443 174.600 -0.180 0.000 1.062 182 S CA 2.156 60.188 58.200 -0.279 0.000 0.913 182 S CB 1.055 64.127 63.200 -0.215 0.000 0.837 182 S HN 0.605 8.370 8.310 -0.908 0.000 0.487 183 F N -5.075 114.915 119.950 0.067 0.000 2.683 183 F HA 0.421 4.980 4.527 0.054 0.000 0.306 183 F C -2.183 173.658 175.800 0.070 0.000 1.102 183 F CA -3.604 54.432 58.000 0.060 0.000 1.244 183 F CB -0.583 38.449 39.000 0.053 0.000 1.029 183 F HN -0.324 7.090 8.300 -1.476 0.000 0.545 184 S N 0.405 116.214 115.700 0.182 0.000 2.565 184 S HA -0.090 4.589 4.470 0.348 0.000 0.276 184 S C -0.032 174.680 174.600 0.186 0.000 1.326 184 S CA -0.146 58.190 58.200 0.227 0.000 1.045 184 S CB 0.975 64.246 63.200 0.119 0.000 0.918 184 S HN -0.571 7.624 8.310 -0.089 0.061 0.505 185 Q N 6.903 126.813 119.800 0.184 0.000 2.199 185 Q HA 0.135 4.581 4.340 0.176 0.000 0.232 185 Q C -1.716 174.406 176.000 0.204 0.000 0.969 185 Q CA -0.163 55.743 55.803 0.171 0.000 0.925 185 Q CB 2.915 31.733 28.738 0.132 0.000 1.198 185 Q HN -0.308 8.074 8.270 0.186 0.000 0.494 186 Y N -0.725 119.601 120.300 0.043 0.000 2.677 186 Y HA 0.033 4.592 4.550 0.016 0.000 0.334 186 Y C -2.474 173.437 175.900 0.018 0.000 1.154 186 Y CA -0.904 57.206 58.100 0.017 0.000 1.070 186 Y CB 3.038 41.494 38.460 -0.007 0.000 1.294 186 Y HN 0.035 8.464 8.280 0.248 0.000 0.475 187 G N -2.210 105.675 108.800 -1.525 0.000 2.342 187 G HA2 0.022 3.445 3.960 -1.155 0.000 0.297 187 G HA3 0.022 3.657 3.960 -0.543 0.000 0.297 187 G C -2.195 172.147 174.900 -0.929 0.000 1.313 187 G CA -0.001 44.420 45.100 -1.132 0.000 0.830 187 G HN -0.251 7.046 8.290 -1.656 0.000 0.506 188 A N 0.855 123.404 122.820 -0.451 0.000 3.126 188 A HA 0.401 4.762 4.320 -0.198 -0.160 0.268 188 A C -0.686 176.810 177.584 -0.146 0.000 1.605 188 A CA -1.211 50.694 52.037 -0.221 0.000 1.305 188 A CB -0.668 18.267 19.000 -0.109 0.000 1.160 188 A HN 0.548 8.491 8.150 -0.345 0.000 0.609 189 G N -0.585 108.125 108.800 -0.150 0.000 4.657 189 G HA2 -0.064 3.860 3.960 -0.061 0.000 0.224 189 G HA3 -0.064 3.843 3.960 -0.090 0.000 0.224 189 G C -1.245 173.608 174.900 -0.078 0.000 1.018 189 G CA 0.247 45.293 45.100 -0.091 0.000 1.236 189 G HN -0.472 7.648 8.290 -0.198 0.051 0.677 190 L N 0.252 121.433 121.223 -0.070 0.000 2.426 190 L HA -0.063 4.257 4.340 -0.033 0.000 0.271 190 L C -1.548 175.322 176.870 0.000 0.000 1.169 190 L CA 1.031 55.855 54.840 -0.025 0.000 0.836 190 L CB 0.744 42.811 42.059 0.014 0.000 1.112 190 L HN -0.408 7.773 8.230 -0.083 0.000 0.465 191 D N 3.812 124.218 120.400 0.009 0.000 2.652 191 D HA 0.037 4.685 4.640 0.013 0.000 0.261 191 D C -0.285 176.037 176.300 0.036 0.000 1.024 191 D CA 1.516 55.526 54.000 0.016 0.000 0.958 191 D CB 2.855 43.660 40.800 0.007 0.000 1.113 191 D HN 0.116 8.491 8.370 0.008 0.000 0.471 192 I N -5.434 115.162 120.570 0.044 0.000 3.434 192 I HA 0.523 4.975 4.170 0.064 -0.244 0.317 192 I C -2.446 173.711 176.117 0.067 0.000 1.230 192 I CA -2.252 59.081 61.300 0.056 0.000 0.918 192 I CB 4.480 42.506 38.000 0.044 0.000 1.337 192 I HN -0.438 7.796 8.210 0.040 0.000 0.482 193 V N -4.641 115.311 119.914 0.064 0.000 3.112 193 V HA 0.876 5.233 4.120 0.076 -0.191 0.310 193 V C -2.273 173.841 176.094 0.033 0.000 1.364 193 V CA -2.941 59.398 62.300 0.066 0.000 1.058 193 V CB 4.416 36.293 31.823 0.091 0.000 1.079 193 V HN 0.103 8.218 8.190 0.052 0.106 0.463 194 A N -4.125 118.707 122.820 0.020 0.000 2.490 194 A HA 0.417 4.687 4.320 -0.082 0.000 0.292 194 A C -3.349 174.187 177.584 -0.079 0.000 1.047 194 A CA -1.093 50.918 52.037 -0.045 0.000 0.632 194 A CB 1.402 20.392 19.000 -0.016 0.000 1.323 194 A HN -0.035 8.141 8.150 0.043 0.000 0.448 195 P HA 0.171 4.427 4.420 -0.273 0.000 0.276 195 P C -1.065 176.162 177.300 -0.122 0.000 1.264 195 P CA 0.015 62.873 63.100 -0.403 0.000 0.769 195 P CB -0.036 30.987 31.700 -1.128 0.000 0.840 196 G N 2.148 111.029 108.800 0.135 0.000 4.716 196 G HA2 0.188 4.311 3.960 0.272 0.000 0.282 196 G HA3 0.188 4.457 3.960 0.308 -0.125 0.282 196 G C -2.006 173.196 174.900 0.504 0.000 1.173 196 G CA 0.127 45.410 45.100 0.306 0.000 0.913 196 G HN -0.035 8.347 8.290 0.153 0.000 0.566 197 V N -0.823 119.470 119.914 0.631 0.000 2.699 197 V HA 0.106 4.609 4.120 0.638 0.000 0.311 197 V C -1.312 175.077 176.094 0.493 0.000 1.160 197 V CA -2.018 60.642 62.300 0.600 0.000 1.313 197 V CB -1.316 30.794 31.823 0.477 0.000 1.553 197 V HN -0.488 8.159 8.190 0.762 0.000 0.630 198 N N 1.393 120.367 118.700 0.458 0.000 6.118 198 N HA -0.084 4.884 4.740 0.226 -0.093 0.071 198 N C -2.750 173.041 175.510 0.468 0.000 1.879 198 N CA 0.499 53.760 53.050 0.350 0.000 2.400 198 N CB 0.813 39.413 38.487 0.189 0.000 0.623 198 N HN -0.283 8.300 8.380 0.436 0.058 0.952 199 V N -0.603 119.511 119.914 0.334 0.000 2.716 199 V HA 0.226 4.573 4.120 0.379 0.000 0.284 199 V C -2.081 174.231 176.094 0.363 0.000 1.129 199 V CA -0.968 61.554 62.300 0.371 0.000 0.926 199 V CB 1.862 33.929 31.823 0.407 0.000 1.051 199 V HN 0.323 8.659 8.190 0.244 0.000 0.458 200 Q N 7.833 127.792 119.800 0.265 0.000 2.288 200 Q HA 0.153 4.831 4.340 0.255 -0.185 0.254 200 Q C -1.044 175.039 176.000 0.138 0.000 0.932 200 Q CA -0.043 55.887 55.803 0.212 0.000 0.902 200 Q CB 0.728 29.534 28.738 0.114 0.000 1.203 200 Q HN 0.547 8.964 8.270 0.246 0.000 0.415 201 S N 3.651 119.419 115.700 0.114 0.000 3.121 201 S HA 0.206 4.615 4.470 -0.102 0.000 0.324 201 S C -1.363 173.261 174.600 0.040 0.000 1.192 201 S CA -1.285 56.811 58.200 -0.174 0.000 0.937 201 S CB 1.906 64.470 63.200 -1.061 0.000 1.336 201 S HN 0.463 8.945 8.310 0.287 0.000 0.664 202 T N 1.930 116.480 114.554 -0.006 0.000 2.770 202 T HA 0.357 4.848 4.350 0.236 0.000 0.281 202 T C -0.796 174.019 174.700 0.191 0.000 0.981 202 T CA -0.323 61.835 62.100 0.096 0.000 0.955 202 T CB 0.855 69.711 68.868 -0.020 0.000 1.060 202 T HN 0.146 8.292 8.240 -0.157 0.000 0.531 203 Y N -2.304 117.822 120.300 -0.290 0.000 2.641 203 Y HA 0.185 4.641 4.550 -0.156 0.000 0.333 203 Y C -2.311 173.323 175.900 -0.444 0.000 1.174 203 Y CA -1.835 56.120 58.100 -0.241 0.000 1.057 203 Y CB 3.313 41.722 38.460 -0.085 0.000 1.322 203 Y HN -0.415 7.677 8.280 -0.314 0.000 0.457 204 P HA 0.016 4.335 4.420 -0.169 0.000 0.274 204 P C -0.904 176.382 177.300 -0.024 0.000 1.246 204 P CA 0.120 63.085 63.100 -0.225 0.000 0.795 204 P CB 0.886 32.430 31.700 -0.260 0.000 1.006 205 G N -1.825 107.018 108.800 0.072 0.000 2.136 205 G HA2 -0.345 3.638 3.960 0.039 0.000 0.242 205 G HA3 -0.345 3.637 3.960 0.036 0.000 0.242 205 G C -0.010 174.952 174.900 0.103 0.000 0.989 205 G CA 0.038 45.176 45.100 0.063 0.000 0.682 205 G HN 0.201 8.547 8.290 0.095 0.000 0.522 206 S N -4.942 110.948 115.700 0.318 0.000 3.748 206 S HA -0.445 4.088 4.470 0.104 0.000 0.329 206 S C -0.799 173.797 174.600 -0.006 0.000 1.104 206 S CA 0.669 58.971 58.200 0.170 0.000 0.954 206 S CB -1.290 61.883 63.200 -0.045 0.000 0.910 206 S HN -0.169 8.447 8.310 0.585 0.045 0.494 207 T N -2.861 111.680 114.554 -0.020 0.000 2.901 207 T HA 0.366 4.205 4.350 -0.852 0.000 0.293 207 T C -2.144 172.352 174.700 -0.340 0.000 1.084 207 T CA -1.546 60.316 62.100 -0.397 0.000 1.008 207 T CB 2.017 70.809 68.868 -0.127 0.000 1.170 207 T HN -0.627 7.688 8.240 0.145 0.012 0.509 208 Y N -2.603 117.773 120.300 0.127 0.000 2.631 208 Y HA 0.192 4.821 4.550 0.123 -0.006 0.328 208 Y C -1.165 174.688 175.900 -0.079 0.000 1.118 208 Y CA -2.511 55.632 58.100 0.073 0.000 1.206 208 Y CB 2.964 41.461 38.460 0.061 0.000 1.337 208 Y HN -0.020 7.661 8.280 -0.999 0.000 0.515 209 A N -2.010 120.833 122.820 0.037 0.000 2.605 209 A HA 0.242 4.499 4.320 -0.105 0.000 0.294 209 A C -2.673 174.902 177.584 -0.015 0.000 1.062 209 A CA -0.684 51.231 52.037 -0.202 0.000 0.682 209 A CB 2.300 20.750 19.000 -0.917 0.000 1.278 209 A HN 0.313 8.647 8.150 0.167 -0.083 0.410 210 S N 1.001 116.685 115.700 -0.027 0.000 2.549 210 S HA 0.642 5.400 4.470 0.166 -0.188 0.297 210 S C -0.869 173.710 174.600 -0.035 0.000 1.115 210 S CA -1.773 56.458 58.200 0.051 0.000 1.059 210 S CB 0.971 64.206 63.200 0.059 0.000 1.046 210 S HN 0.116 8.385 8.310 -0.069 0.000 0.506 211 L N -1.813 119.394 121.223 -0.027 0.000 2.568 211 L HA 0.536 4.845 4.340 -0.051 0.000 0.257 211 L C -2.108 174.777 176.870 0.024 0.000 1.024 211 L CA -1.497 53.299 54.840 -0.072 0.000 0.854 211 L CB 3.815 45.747 42.059 -0.213 0.000 1.460 211 L HN -0.103 8.058 8.230 0.062 0.105 0.409 212 N N -2.192 116.520 118.700 0.021 0.000 2.238 212 N HA 0.588 5.499 4.740 0.209 -0.046 0.302 212 N C -1.504 173.995 175.510 -0.020 0.000 1.072 212 N CA -1.153 51.965 53.050 0.113 0.000 0.792 212 N CB 2.823 41.424 38.487 0.190 0.000 1.425 212 N HN 0.309 8.669 8.380 -0.033 0.000 0.478 213 G N -0.110 108.750 108.800 0.100 0.000 2.325 213 G HA2 -0.026 3.747 3.960 -0.313 0.000 0.297 213 G HA3 -0.026 3.892 3.960 -0.071 0.000 0.297 213 G C -1.529 173.499 174.900 0.213 0.000 1.448 213 G CA 0.780 45.872 45.100 -0.014 0.000 0.838 213 G HN -0.026 8.323 8.290 0.266 0.101 0.579 214 T N -0.551 114.129 114.554 0.211 0.000 3.067 214 T HA -0.010 4.483 4.350 0.240 0.000 0.257 214 T C 1.186 175.983 174.700 0.163 0.000 1.105 214 T CA 0.263 62.492 62.100 0.216 0.000 1.104 214 T CB 0.139 69.133 68.868 0.210 0.000 0.925 214 T HN 0.539 8.861 8.240 0.137 0.000 0.498 215 S N 1.235 117.026 115.700 0.152 0.000 2.383 215 S HA -0.205 4.358 4.470 0.156 0.000 0.227 215 S C 1.042 175.774 174.600 0.220 0.000 1.026 215 S CA 3.570 61.891 58.200 0.201 0.000 0.981 215 S CB -0.168 63.167 63.200 0.225 0.000 0.818 215 S HN 0.359 8.700 8.310 0.117 0.039 0.472 216 M N -3.500 116.234 119.600 0.223 0.000 2.132 216 M HA -0.121 4.399 4.480 0.066 0.000 0.263 216 M C 1.125 177.461 176.300 0.060 0.000 1.065 216 M CA 2.177 57.556 55.300 0.133 0.000 1.122 216 M CB -0.377 32.345 32.600 0.203 0.000 1.365 216 M HN -0.595 7.837 8.290 0.236 0.000 0.411 217 A N -1.682 121.236 122.820 0.164 0.000 2.121 217 A HA -0.104 4.477 4.320 0.435 0.000 0.218 217 A C 1.893 179.568 177.584 0.151 0.000 1.154 217 A CA 2.134 54.307 52.037 0.227 0.000 0.679 217 A CB -0.585 18.529 19.000 0.189 0.000 0.795 217 A HN -0.466 7.797 8.150 0.189 0.000 0.458 218 T N 0.176 114.793 114.554 0.106 0.000 2.674 218 T HA -0.167 4.235 4.350 0.087 0.000 0.265 218 T C -0.493 174.242 174.700 0.058 0.000 1.039 218 T CA 5.387 67.536 62.100 0.082 0.000 1.150 218 T CB -1.985 66.930 68.868 0.078 0.000 0.864 218 T HN -0.369 7.786 8.240 0.114 0.154 0.427 219 P HA -0.062 4.362 4.420 0.007 0.000 0.234 219 P C 1.114 178.410 177.300 -0.005 0.000 1.167 219 P CA 2.192 65.281 63.100 -0.019 0.000 0.763 219 P CB -0.701 30.956 31.700 -0.072 0.000 0.835 220 H N -0.880 118.210 119.070 0.032 0.000 2.395 220 H HA -0.113 4.603 4.556 0.024 -0.146 0.299 220 H C 2.207 177.548 175.328 0.023 0.000 1.070 220 H CA 3.062 59.123 56.048 0.022 0.000 1.356 220 H CB 0.455 30.221 29.762 0.007 0.000 1.401 220 H HN -0.833 7.286 8.280 0.062 0.198 0.524 221 V N -0.738 119.271 119.914 0.158 0.000 2.591 221 V HA -0.366 3.808 4.120 0.090 0.000 0.249 221 V C 1.299 177.441 176.094 0.079 0.000 1.053 221 V CA 3.009 65.367 62.300 0.097 0.000 1.068 221 V CB -0.751 31.116 31.823 0.073 0.000 0.689 221 V HN -0.541 7.742 8.190 0.154 0.000 0.462 222 A N -0.150 122.709 122.820 0.065 0.000 1.940 222 A HA -0.335 4.002 4.320 0.029 0.000 0.219 222 A C 1.927 179.543 177.584 0.052 0.000 1.176 222 A CA 3.165 55.226 52.037 0.039 0.000 0.631 222 A CB -0.700 18.311 19.000 0.019 0.000 0.814 222 A HN -0.287 7.826 8.150 0.068 0.077 0.446 223 G N -2.669 106.175 108.800 0.074 0.000 2.404 223 G HA2 -0.345 3.660 3.960 0.074 0.000 0.214 223 G HA3 -0.345 3.677 3.960 0.104 0.000 0.214 223 G C 0.633 175.595 174.900 0.104 0.000 1.189 223 G CA 1.161 46.315 45.100 0.089 0.000 0.789 223 G HN -0.254 8.076 8.290 0.082 0.009 0.533 224 A N 2.326 125.210 122.820 0.107 0.000 1.884 224 A HA -0.489 3.889 4.320 0.096 0.000 0.219 224 A C 1.624 179.271 177.584 0.105 0.000 1.197 224 A CA 3.287 55.382 52.037 0.096 0.000 0.637 224 A CB -0.641 18.405 19.000 0.077 0.000 0.827 224 A HN -0.421 7.798 8.150 0.114 0.000 0.450 225 A N -2.441 120.443 122.820 0.107 0.000 1.908 225 A HA -0.495 3.912 4.320 0.145 0.000 0.218 225 A C 1.291 178.976 177.584 0.169 0.000 1.181 225 A CA 3.275 55.394 52.037 0.136 0.000 0.627 225 A CB -0.653 18.417 19.000 0.118 0.000 0.818 225 A HN -0.192 8.021 8.150 0.094 -0.007 0.445 226 A N -1.188 121.722 122.820 0.150 0.000 1.892 226 A HA -0.422 4.086 4.320 0.312 0.000 0.218 226 A C 2.152 179.818 177.584 0.136 0.000 1.188 226 A CA 2.895 55.041 52.037 0.183 0.000 0.631 226 A CB -0.911 18.163 19.000 0.123 0.000 0.822 226 A HN -0.774 7.341 8.150 0.114 0.103 0.447 227 L N -2.405 118.882 121.223 0.106 0.000 2.013 227 L HA -0.488 3.890 4.340 0.064 0.000 0.212 227 L C 2.333 179.231 176.870 0.047 0.000 1.073 227 L CA 2.914 57.799 54.840 0.075 0.000 0.753 227 L CB -0.512 41.597 42.059 0.084 0.000 0.890 227 L HN -0.461 7.835 8.230 0.111 0.000 0.432 228 V N -0.268 119.691 119.914 0.075 0.000 2.214 228 V HA -0.553 3.574 4.120 0.011 0.000 0.247 228 V C 2.356 178.445 176.094 -0.008 0.000 1.051 228 V CA 3.666 65.998 62.300 0.054 0.000 1.003 228 V CB -1.014 30.899 31.823 0.150 0.000 0.635 228 V HN -0.523 7.653 8.190 0.105 0.077 0.447 229 K N -1.605 118.814 120.400 0.031 0.000 2.144 229 K HA -0.447 3.901 4.320 -0.086 -0.079 0.209 229 K C 2.557 179.065 176.600 -0.154 0.000 1.047 229 K CA 2.987 59.205 56.287 -0.116 0.000 0.927 229 K CB -0.507 31.768 32.500 -0.375 0.000 0.716 229 K HN -0.463 7.857 8.250 0.117 0.000 0.454 230 Q N -2.086 117.663 119.800 -0.085 0.000 2.002 230 Q HA -0.293 3.992 4.340 -0.091 0.000 0.204 230 Q C 1.873 177.785 176.000 -0.147 0.000 0.988 230 Q CA 2.712 58.462 55.803 -0.088 0.000 0.843 230 Q CB 0.035 28.754 28.738 -0.032 0.000 0.908 230 Q HN -0.456 7.697 8.270 -0.023 0.104 0.420 231 K N -5.624 114.678 120.400 -0.164 0.000 2.362 231 K HA -0.234 3.976 4.320 -0.184 0.000 0.202 231 K C 0.484 176.852 176.600 -0.386 0.000 1.045 231 K CA 1.373 57.519 56.287 -0.236 0.000 0.936 231 K CB -0.078 32.279 32.500 -0.240 0.000 0.747 231 K HN -0.456 7.722 8.250 -0.120 0.000 0.467 232 N N -1.348 117.091 118.700 -0.434 0.000 2.675 232 N HA 0.335 4.705 4.740 -0.617 0.000 0.254 232 N C -1.726 173.570 175.510 -0.356 0.000 1.224 232 N CA -2.090 50.580 53.050 -0.633 0.000 0.777 232 N CB 1.914 39.587 38.487 -1.356 0.000 1.256 232 N HN -0.720 7.273 8.380 -0.318 0.197 0.531 233 P HA 0.265 4.640 4.420 -0.178 -0.061 0.245 233 P C -0.788 176.443 177.300 -0.115 0.000 1.212 233 P CA 0.721 63.721 63.100 -0.167 0.000 0.774 233 P CB 0.408 32.031 31.700 -0.128 0.000 0.999 234 S N -4.165 111.465 115.700 -0.118 0.000 2.512 234 S HA 0.057 4.522 4.470 -0.007 0.000 0.216 234 S C -0.126 174.562 174.600 0.147 0.000 1.006 234 S CA 0.299 58.494 58.200 -0.010 0.000 0.915 234 S CB -0.032 63.157 63.200 -0.020 0.000 0.824 234 S HN -0.167 7.931 8.310 -0.223 0.079 0.497 235 W N 3.297 124.543 121.300 -0.089 0.000 1.924 235 W HA -0.002 4.626 4.660 -0.054 0.000 0.363 235 W C -0.567 175.906 176.519 -0.076 0.000 1.435 235 W CA 0.411 57.711 57.345 -0.076 0.000 1.497 235 W CB 0.491 29.900 29.460 -0.085 0.000 1.263 235 W HN -0.665 7.381 8.180 0.032 0.153 0.667 236 S N -3.734 112.061 115.700 0.157 0.000 2.709 236 S HA 0.191 4.706 4.470 0.075 0.000 0.302 236 S C 0.378 175.030 174.600 0.085 0.000 1.127 236 S CA -2.179 56.067 58.200 0.077 0.000 0.905 236 S CB 3.075 66.293 63.200 0.031 0.000 1.151 236 S HN -0.213 8.154 8.310 0.094 0.000 0.510 237 N N 1.103 119.868 118.700 0.108 0.000 2.348 237 N HA -0.347 4.514 4.740 0.201 0.000 0.185 237 N C 1.144 176.684 175.510 0.050 0.000 1.019 237 N CA 2.643 55.768 53.050 0.125 0.000 0.880 237 N CB -0.661 37.887 38.487 0.100 0.000 0.965 237 N HN 0.614 9.055 8.380 0.101 0.000 0.437 238 V N 0.357 120.272 119.914 0.002 0.000 2.249 238 V HA -0.228 3.876 4.120 -0.027 0.000 0.239 238 V C 2.060 178.092 176.094 -0.104 0.000 1.038 238 V CA 2.579 64.853 62.300 -0.044 0.000 1.005 238 V CB -0.857 30.930 31.823 -0.060 0.000 0.646 238 V HN -0.286 7.858 8.190 0.004 0.048 0.455 239 Q N -0.695 118.986 119.800 -0.199 0.000 2.217 239 Q HA -0.355 3.724 4.340 -0.435 0.000 0.209 239 Q C 2.761 178.561 176.000 -0.334 0.000 0.988 239 Q CA 2.940 58.472 55.803 -0.451 0.000 0.878 239 Q CB -0.535 27.680 28.738 -0.871 0.000 0.909 239 Q HN -0.410 7.760 8.270 -0.167 0.000 0.424 240 I N -1.258 119.271 120.570 -0.067 0.000 2.202 240 I HA -0.506 3.801 4.170 0.228 0.000 0.242 240 I C 1.433 177.600 176.117 0.084 0.000 1.091 240 I CA 4.376 65.748 61.300 0.119 0.000 1.368 240 I CB -0.235 37.882 38.000 0.195 0.000 1.058 240 I HN 0.056 8.229 8.210 -0.030 0.020 0.410 241 R N -0.782 119.740 120.500 0.038 0.000 2.139 241 R HA -0.471 3.900 4.340 0.051 0.000 0.243 241 R C 1.819 178.127 176.300 0.013 0.000 1.145 241 R CA 3.459 59.576 56.100 0.029 0.000 0.976 241 R CB -0.772 29.530 30.300 0.005 0.000 0.866 241 R HN -0.313 7.893 8.270 0.024 0.077 0.449 242 N N -1.738 116.945 118.700 -0.028 0.000 2.022 242 N HA -0.344 4.372 4.740 -0.040 0.000 0.194 242 N C 1.882 177.401 175.510 0.016 0.000 1.057 242 N CA 3.567 56.593 53.050 -0.041 0.000 0.849 242 N CB -0.154 38.261 38.487 -0.120 0.000 1.044 242 N HN -0.530 7.696 8.380 -0.067 0.114 0.424 243 H N 1.248 120.297 119.070 -0.034 0.000 2.289 243 H HA -0.322 4.268 4.556 0.057 0.000 0.294 243 H C 2.756 178.122 175.328 0.063 0.000 1.095 243 H CA 3.957 60.044 56.048 0.064 0.000 1.256 243 H CB 0.193 30.084 29.762 0.215 0.000 1.359 243 H HN -0.666 7.669 8.280 0.091 0.000 0.487 244 L N -2.373 118.962 121.223 0.186 0.000 2.191 244 L HA -0.205 4.208 4.340 0.122 0.000 0.212 244 L C 2.346 179.242 176.870 0.043 0.000 1.103 244 L CA 2.478 57.386 54.840 0.113 0.000 0.769 244 L CB -0.275 41.855 42.059 0.117 0.000 0.908 244 L HN 0.052 8.417 8.230 0.225 0.000 0.438 245 K N -0.744 119.670 120.400 0.023 0.000 2.007 245 K HA -0.318 4.009 4.320 0.011 0.000 0.206 245 K C 1.201 177.788 176.600 -0.021 0.000 1.047 245 K CA 3.232 59.520 56.287 0.002 0.000 0.937 245 K CB -0.128 32.369 32.500 -0.005 0.000 0.718 245 K HN -0.091 8.031 8.250 0.033 0.147 0.438 246 N N -3.711 114.959 118.700 -0.050 0.000 2.494 246 N HA -0.110 4.601 4.740 -0.047 0.000 0.182 246 N C 0.889 176.346 175.510 -0.089 0.000 1.076 246 N CA 1.568 54.575 53.050 -0.071 0.000 0.908 246 N CB 0.397 38.825 38.487 -0.097 0.000 0.967 246 N HN -0.237 8.110 8.380 -0.055 0.000 0.449 247 T N -1.914 112.587 114.554 -0.089 0.000 3.010 247 T HA -0.043 4.253 4.350 -0.090 0.000 0.252 247 T C 0.094 174.778 174.700 -0.025 0.000 1.047 247 T CA 0.651 62.707 62.100 -0.072 0.000 1.140 247 T CB 0.875 69.710 68.868 -0.055 0.000 0.885 247 T HN -0.526 7.512 8.240 -0.070 0.161 0.464 248 A N 3.757 126.572 122.820 -0.008 0.000 2.511 248 A HA -0.168 4.153 4.320 0.001 0.000 0.242 248 A C 0.444 178.024 177.584 -0.008 0.000 1.069 248 A CA 0.426 52.464 52.037 0.000 0.000 0.763 248 A CB 0.192 19.200 19.000 0.014 0.000 1.001 248 A HN -0.570 7.476 8.150 -0.006 0.101 0.498 249 T N 3.896 118.443 114.554 -0.012 0.000 2.709 249 T HA -0.283 4.055 4.350 -0.020 0.000 0.345 249 T C -0.456 174.241 174.700 -0.006 0.000 1.086 249 T CA 1.993 64.083 62.100 -0.016 0.000 1.084 249 T CB 0.272 69.124 68.868 -0.026 0.000 1.000 249 T HN -0.051 8.181 8.240 -0.014 0.000 0.549 250 S N 1.084 116.780 115.700 -0.006 0.000 2.381 250 S HA 0.228 4.803 4.470 0.025 -0.090 0.193 250 S C -0.463 174.143 174.600 0.011 0.000 1.287 250 S CA -0.467 57.740 58.200 0.011 0.000 1.199 250 S CB 0.482 63.687 63.200 0.009 0.000 1.214 250 S HN 0.031 8.332 8.310 -0.015 0.000 0.444 251 L N 2.448 123.677 121.223 0.010 0.000 1.997 251 L HA -0.331 3.968 4.340 -0.069 0.000 0.216 251 L C 1.091 177.983 176.870 0.036 0.000 1.074 251 L CA 1.976 56.801 54.840 -0.025 0.000 0.763 251 L CB -0.024 41.976 42.059 -0.098 0.000 0.890 251 L HN 0.215 8.457 8.230 0.019 0.000 0.434 252 G N -7.070 101.791 108.800 0.100 0.000 2.460 252 G HA2 -0.160 3.841 3.960 0.069 0.000 0.208 252 G HA3 -0.160 3.845 3.960 0.074 0.000 0.208 252 G C -0.918 174.070 174.900 0.148 0.000 1.185 252 G CA -0.539 44.618 45.100 0.096 0.000 1.262 252 G HN -0.357 8.009 8.290 0.127 0.000 0.522 253 S N -1.257 114.533 115.700 0.150 0.000 3.538 253 S HA -0.261 4.275 4.470 0.110 0.000 0.640 253 S C -0.279 174.358 174.600 0.063 0.000 2.388 253 S CA 0.988 59.266 58.200 0.130 0.000 2.560 253 S CB 0.111 63.419 63.200 0.180 0.000 0.328 253 S HN 0.221 8.605 8.310 0.124 0.000 1.791 254 T N -2.565 112.006 114.554 0.028 0.000 3.051 254 T HA -0.005 4.360 4.350 0.024 0.000 0.255 254 T C -0.069 174.640 174.700 0.016 0.000 1.085 254 T CA 1.797 63.909 62.100 0.019 0.000 1.109 254 T CB 0.615 69.490 68.868 0.012 0.000 0.921 254 T HN 0.282 8.529 8.240 0.012 0.000 0.488 255 N N -2.091 116.612 118.700 0.004 0.000 2.251 255 N HA -0.084 4.667 4.740 0.019 0.000 0.323 255 N C 0.033 175.539 175.510 -0.006 0.000 0.966 255 N CA 0.822 53.879 53.050 0.012 0.000 0.656 255 N CB -0.134 38.367 38.487 0.023 0.000 2.147 255 N HN -0.533 7.835 8.380 -0.020 0.000 0.877 256 L N 0.699 121.867 121.223 -0.091 0.000 1.956 256 L HA -0.333 4.038 4.340 0.050 0.000 0.216 256 L C 1.694 178.402 176.870 -0.269 0.000 1.073 256 L CA 3.273 57.968 54.840 -0.242 0.000 0.762 256 L CB 0.232 41.866 42.059 -0.707 0.000 0.889 256 L HN 0.111 8.279 8.230 -0.103 0.000 0.433 257 Y N -3.902 116.435 120.300 0.062 0.000 2.226 257 Y HA -0.164 4.416 4.550 0.049 0.000 0.275 257 Y C 0.692 176.612 175.900 0.035 0.000 1.087 257 Y CA 0.240 58.365 58.100 0.042 0.000 1.086 257 Y CB 0.179 38.653 38.460 0.022 0.000 1.026 257 Y HN -0.646 7.373 8.280 -0.435 0.000 0.484 258 G N 1.349 110.274 108.800 0.210 0.000 2.261 258 G HA2 -0.389 3.677 3.960 0.096 0.000 0.220 258 G HA3 -0.389 3.617 3.960 0.078 0.000 0.220 258 G C -1.408 173.547 174.900 0.091 0.000 0.572 258 G CA 0.282 45.448 45.100 0.109 0.000 1.011 258 G HN -0.433 8.021 8.290 0.273 0.000 0.328 259 S N -1.454 114.291 115.700 0.076 0.000 3.385 259 S HA -0.384 4.411 4.470 0.035 -0.304 0.613 259 S C -0.234 174.406 174.600 0.067 0.000 0.653 259 S CA 0.670 58.900 58.200 0.051 0.000 1.401 259 S CB 0.224 63.446 63.200 0.036 0.000 1.031 259 S HN -0.063 8.291 8.310 0.074 0.000 0.883 260 G N 1.941 110.773 108.800 0.054 0.000 2.535 260 G HA2 0.058 4.125 3.960 0.073 0.000 0.191 260 G HA3 0.058 4.070 3.960 0.086 0.000 0.191 260 G C -1.459 173.452 174.900 0.019 0.000 1.242 260 G CA 0.577 45.714 45.100 0.061 0.000 0.797 260 G HN -0.057 8.253 8.290 0.033 0.000 0.863 261 L N 1.439 122.659 121.223 -0.006 0.000 2.334 261 L HA 0.344 4.661 4.340 -0.038 0.000 0.275 261 L C -1.557 175.299 176.870 -0.023 0.000 1.036 261 L CA -0.821 54.000 54.840 -0.031 0.000 0.807 261 L CB 2.395 44.423 42.059 -0.050 0.000 1.231 261 L HN -0.395 7.833 8.230 -0.005 0.000 0.438 262 V N -0.534 119.360 119.914 -0.033 0.000 2.919 262 V HA 0.202 4.318 4.120 -0.006 0.000 0.316 262 V C -1.505 174.568 176.094 -0.035 0.000 1.077 262 V CA -2.020 60.269 62.300 -0.019 0.000 0.977 262 V CB 2.704 34.526 31.823 -0.002 0.000 1.039 262 V HN 0.217 8.376 8.190 -0.051 0.000 0.441 263 N N 0.733 119.421 118.700 -0.020 0.000 2.578 263 N HA 0.117 4.980 4.740 -0.048 -0.152 0.282 263 N C -0.712 174.792 175.510 -0.010 0.000 1.119 263 N CA -0.030 53.002 53.050 -0.030 0.000 0.948 263 N CB 2.338 40.804 38.487 -0.035 0.000 1.546 263 N HN 0.011 8.389 8.380 -0.003 0.000 0.525 264 A N 3.047 125.857 122.820 -0.016 0.000 2.172 264 A HA -0.225 4.116 4.320 0.036 0.000 0.216 264 A C 1.210 178.796 177.584 0.002 0.000 1.154 264 A CA 2.275 54.315 52.037 0.005 0.000 0.701 264 A CB -0.203 18.789 19.000 -0.014 0.000 0.789 264 A HN 0.321 8.448 8.150 -0.037 0.000 0.465 265 E N -1.229 118.961 120.200 -0.017 0.000 2.072 265 E HA -0.290 4.052 4.350 -0.015 0.000 0.191 265 E C 1.815 178.421 176.600 0.010 0.000 0.985 265 E CA 3.075 59.468 56.400 -0.012 0.000 0.801 265 E CB -0.146 29.540 29.700 -0.025 0.000 0.750 265 E HN 0.365 8.648 8.360 -0.029 0.060 0.452 266 A N -2.881 119.946 122.820 0.010 0.000 2.169 266 A HA 0.013 4.341 4.320 0.014 0.000 0.212 266 A C 0.678 178.294 177.584 0.053 0.000 1.153 266 A CA 1.641 53.686 52.037 0.014 0.000 0.756 266 A CB -0.506 18.488 19.000 -0.010 0.000 0.813 266 A HN -0.592 7.558 8.150 0.001 0.000 0.471 267 A N -4.477 118.395 122.820 0.088 0.000 2.147 267 A HA 0.121 4.617 4.320 0.293 0.000 0.211 267 A C -0.098 177.604 177.584 0.196 0.000 1.160 267 A CA 1.448 53.606 52.037 0.203 0.000 0.781 267 A CB 1.077 20.179 19.000 0.170 0.000 0.842 267 A HN -0.448 7.562 8.150 0.058 0.175 0.475 268 T N -3.167 111.450 114.554 0.105 0.000 3.238 268 T HA 0.077 4.458 4.350 0.051 0.000 0.242 268 T C 1.010 175.742 174.700 0.053 0.000 0.980 268 T CA -0.611 61.525 62.100 0.060 0.000 1.235 268 T CB 1.738 70.622 68.868 0.026 0.000 1.069 268 T HN -0.214 7.925 8.240 0.076 0.146 0.407 269 R N 0.000 120.522 120.500 0.037 0.000 2.786 269 R HA 0.000 4.348 4.340 0.014 0.000 0.208 269 R CA 0.000 56.116 56.100 0.027 0.000 0.921 269 R CB 0.000 30.323 30.300 0.038 0.000 0.687 269 R HN 0.000 8.288 8.270 0.029 0.000 0.535