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 2kfw_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKVAKDLVVS LAYQVRTEDG VLVDESPVSA PLDYLHGHGS LISGLETALE DATA SEQUENCE GHEVGDKFDV AVGANDAYGQ YDENLVQRVP KDVFMGVDEL QVGMRFLAET DATA SEQUENCE DQGPVPVEIT AVEDDHVVVD GNHMLAGQNL KFNVEVVAIR EATEEELAHG DATA SEQUENCE HVHGAHDHHH DHDHDGCCGG HGHDHGHEHG GEGCCGGKGN GGCGCH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.470 4.480 -0.017 0.000 0.227 1 M C 0.000 176.292 176.300 -0.014 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.011 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.006 0.000 1.302 2 K N 2.163 122.545 120.400 -0.030 0.000 2.378 2 K HA 0.423 4.735 4.320 -0.012 0.000 0.252 2 K C -1.898 174.663 176.600 -0.066 0.000 0.931 2 K CA -0.883 55.383 56.287 -0.036 0.000 0.794 2 K CB 2.067 34.535 32.500 -0.052 0.000 1.181 2 K HN -0.000 8.228 8.250 -0.037 0.000 0.425 3 V N 1.411 121.294 119.914 -0.052 0.000 2.720 3 V HA -0.221 3.830 4.120 -0.114 0.000 0.307 3 V C -1.632 174.226 176.094 -0.394 0.000 1.071 3 V CA 0.955 63.170 62.300 -0.142 0.000 1.199 3 V CB 0.719 32.540 31.823 -0.002 0.000 0.900 3 V HN 0.367 8.559 8.190 0.005 0.000 0.494 4 A N 7.149 129.608 122.820 -0.601 0.000 2.515 4 A HA 0.213 4.040 4.320 -0.821 0.000 0.299 4 A C -2.448 174.797 177.584 -0.565 0.000 1.179 4 A CA -1.178 50.450 52.037 -0.682 0.000 0.656 4 A CB 2.866 21.707 19.000 -0.264 0.000 1.306 4 A HN -0.096 7.796 8.150 -0.431 0.000 0.459 5 K N -0.477 119.816 120.400 -0.178 0.000 2.286 5 K HA -0.319 4.238 4.320 0.169 -0.136 0.256 5 K C -0.255 176.298 176.600 -0.079 0.000 0.999 5 K CA 0.985 57.244 56.287 -0.048 0.000 0.908 5 K CB 0.194 32.598 32.500 -0.160 0.000 0.981 5 K HN 0.004 8.161 8.250 -0.154 0.000 0.500 6 D N -4.570 115.803 120.400 -0.045 0.000 2.699 6 D HA -0.484 4.436 4.640 0.466 0.000 0.239 6 D C -1.979 174.385 176.300 0.107 0.000 1.136 6 D CA 1.498 55.609 54.000 0.185 0.000 0.668 6 D CB -1.743 39.106 40.800 0.082 0.000 1.060 6 D HN 0.242 8.408 8.370 -0.340 0.000 0.429 7 L N -2.812 118.487 121.223 0.127 0.000 2.617 7 L HA 0.354 4.795 4.340 0.047 -0.073 0.259 7 L C -0.554 176.382 176.870 0.110 0.000 0.995 7 L CA -0.631 54.252 54.840 0.072 0.000 0.899 7 L CB 2.768 44.829 42.059 0.003 0.000 1.181 7 L HN -0.301 8.049 8.230 0.199 0.000 0.437 8 V N 6.274 126.231 119.914 0.073 0.000 2.584 8 V HA -0.099 4.222 4.120 0.118 -0.130 0.303 8 V C -2.070 174.079 176.094 0.091 0.000 1.035 8 V CA 0.973 63.316 62.300 0.071 0.000 1.172 8 V CB 0.842 32.646 31.823 -0.032 0.000 0.896 8 V HN 0.407 8.618 8.190 0.035 0.000 0.486 9 V N 7.877 127.873 119.914 0.137 0.000 2.612 9 V HA 0.416 4.754 4.120 0.106 -0.155 0.301 9 V C -2.225 173.959 176.094 0.151 0.000 1.059 9 V CA -2.107 60.274 62.300 0.136 0.000 0.886 9 V CB 2.613 34.536 31.823 0.168 0.000 1.007 9 V HN 0.720 9.012 8.190 0.170 0.000 0.426 10 S N 9.256 125.032 115.700 0.126 0.000 2.400 10 S HA 0.208 4.980 4.470 0.165 -0.203 0.295 10 S C -0.831 173.854 174.600 0.142 0.000 1.113 10 S CA -0.214 58.068 58.200 0.137 0.000 1.064 10 S CB -0.241 63.021 63.200 0.103 0.000 0.990 10 S HN 0.323 8.696 8.310 0.106 0.000 0.502 11 L N 2.916 124.247 121.223 0.179 0.000 2.406 11 L HA 0.937 5.530 4.340 0.150 -0.162 0.270 11 L C -1.402 175.627 176.870 0.264 0.000 0.982 11 L CA -1.514 53.438 54.840 0.187 0.000 0.843 11 L CB 2.654 44.819 42.059 0.176 0.000 1.225 11 L HN -0.650 7.705 8.230 0.208 0.000 0.412 12 A N 4.739 127.671 122.820 0.186 0.000 2.371 12 A HA 0.249 4.605 4.320 0.061 0.000 0.257 12 A C -1.864 175.845 177.584 0.207 0.000 1.089 12 A CA -0.348 51.760 52.037 0.118 0.000 0.794 12 A CB 1.903 20.922 19.000 0.033 0.000 1.029 12 A HN 0.044 8.277 8.150 0.138 0.000 0.488 13 Y N -4.741 115.582 120.300 0.038 0.000 2.480 13 Y HA 0.538 5.244 4.550 0.085 -0.105 0.329 13 Y C -2.465 173.465 175.900 0.051 0.000 1.127 13 Y CA -2.289 55.849 58.100 0.063 0.000 1.037 13 Y CB 2.253 40.748 38.460 0.058 0.000 1.320 13 Y HN -0.338 7.579 8.280 -0.606 0.000 0.446 14 Q N 4.696 124.580 119.800 0.139 0.000 2.290 14 Q HA 0.385 4.688 4.340 -0.061 0.000 0.259 14 Q C -2.113 174.016 176.000 0.216 0.000 0.941 14 Q CA -1.405 54.438 55.803 0.067 0.000 0.912 14 Q CB 3.231 31.993 28.738 0.041 0.000 1.244 14 Q HN 0.236 8.631 8.270 0.210 0.000 0.441 15 V N 5.271 125.292 119.914 0.178 0.000 2.581 15 V HA 0.417 4.900 4.120 0.388 -0.129 0.303 15 V C -2.403 173.757 176.094 0.110 0.000 1.041 15 V CA -2.250 60.195 62.300 0.242 0.000 0.907 15 V CB 2.774 34.721 31.823 0.207 0.000 0.994 15 V HN 0.709 8.944 8.190 0.075 0.000 0.442 16 R N 6.052 126.613 120.500 0.101 0.000 2.604 16 R HA 0.721 5.247 4.340 0.018 -0.175 0.281 16 R C -0.676 175.639 176.300 0.025 0.000 1.020 16 R CA -1.989 54.134 56.100 0.038 0.000 0.899 16 R CB 5.066 35.383 30.300 0.029 0.000 1.205 16 R HN 0.582 8.939 8.270 0.145 0.000 0.450 17 T N 0.724 115.279 114.554 0.001 0.000 2.913 17 T HA 0.354 4.706 4.350 0.004 0.000 0.287 17 T C 1.574 176.272 174.700 -0.004 0.000 1.008 17 T CA -2.005 60.092 62.100 -0.005 0.000 1.067 17 T CB 1.575 70.429 68.868 -0.023 0.000 0.996 17 T HN 0.785 8.913 8.240 -0.009 0.106 0.513 18 E N 2.716 122.914 120.200 -0.004 0.000 2.171 18 E HA -0.441 3.904 4.350 -0.008 0.000 0.197 18 E C 0.785 177.381 176.600 -0.006 0.000 0.997 18 E CA 2.647 59.043 56.400 -0.006 0.000 0.810 18 E CB -0.669 29.027 29.700 -0.007 0.000 0.738 18 E HN 0.717 9.076 8.360 -0.001 0.000 0.467 19 D N -2.034 118.362 120.400 -0.006 0.000 2.351 19 D HA -0.179 4.458 4.640 -0.005 0.000 0.216 19 D C 0.244 176.540 176.300 -0.007 0.000 0.968 19 D CA -0.187 53.809 54.000 -0.006 0.000 0.899 19 D CB -0.036 40.760 40.800 -0.007 0.000 0.907 19 D HN -0.399 7.941 8.370 -0.006 0.026 0.514 20 G N -1.555 107.241 108.800 -0.007 0.000 2.164 20 G HA2 -0.414 3.542 3.960 -0.006 0.000 0.212 20 G HA3 -0.414 3.542 3.960 -0.007 0.000 0.212 20 G C -1.165 173.730 174.900 -0.009 0.000 1.031 20 G CA -0.023 45.072 45.100 -0.007 0.000 0.730 20 G HN 0.205 8.283 8.290 -0.007 0.207 0.501 21 V N -0.068 119.839 119.914 -0.011 0.000 2.864 21 V HA 0.357 4.469 4.120 -0.014 0.000 0.314 21 V C -1.501 174.583 176.094 -0.017 0.000 1.073 21 V CA -2.179 60.111 62.300 -0.016 0.000 0.956 21 V CB 2.924 34.734 31.823 -0.021 0.000 1.023 21 V HN -0.590 7.594 8.190 -0.011 0.000 0.435 22 L N 3.487 124.698 121.223 -0.019 0.000 2.276 22 L HA 0.425 4.915 4.340 -0.011 -0.156 0.286 22 L C 0.101 176.950 176.870 -0.035 0.000 1.024 22 L CA -0.924 53.905 54.840 -0.020 0.000 0.826 22 L CB 0.769 42.818 42.059 -0.017 0.000 1.211 22 L HN 0.258 8.477 8.230 -0.019 0.000 0.422 23 V N 5.558 125.442 119.914 -0.049 0.000 2.591 23 V HA -0.166 3.909 4.120 -0.073 0.000 0.249 23 V C 0.125 176.186 176.094 -0.055 0.000 1.053 23 V CA 1.520 63.774 62.300 -0.077 0.000 1.068 23 V CB 0.409 32.141 31.823 -0.153 0.000 0.689 23 V HN 0.472 8.637 8.190 -0.041 0.000 0.462 24 D N -4.231 116.143 120.400 -0.043 0.000 2.720 24 D HA 0.245 4.849 4.640 -0.060 0.000 0.239 24 D C -2.553 173.684 176.300 -0.105 0.000 1.218 24 D CA 0.208 54.171 54.000 -0.061 0.000 0.748 24 D CB 3.518 44.299 40.800 -0.033 0.000 1.387 24 D HN -0.616 7.735 8.370 -0.031 0.000 0.438 25 E N 2.184 122.289 120.200 -0.158 0.000 2.304 25 E HA 0.263 4.624 4.350 -0.242 -0.157 0.277 25 E C -1.906 174.541 176.600 -0.255 0.000 0.898 25 E CA -0.867 55.413 56.400 -0.201 0.000 0.764 25 E CB 3.421 33.063 29.700 -0.096 0.000 1.216 25 E HN 0.187 8.465 8.360 -0.137 0.000 0.419 26 S N 5.081 120.562 115.700 -0.364 0.000 2.433 26 S HA 0.381 4.731 4.470 -0.200 0.000 0.310 26 S C -1.943 172.576 174.600 -0.134 0.000 1.097 26 S CA -2.748 55.291 58.200 -0.269 0.000 1.103 26 S CB 1.114 64.065 63.200 -0.416 0.000 0.992 26 S HN -0.126 7.793 8.310 -0.457 0.116 0.469 27 P HA 0.227 4.627 4.420 -0.033 0.000 0.274 27 P C -0.013 177.278 177.300 -0.015 0.000 1.237 27 P CA -0.691 62.386 63.100 -0.037 0.000 0.793 27 P CB 0.820 32.503 31.700 -0.028 0.000 0.977 28 V N 1.762 121.677 119.914 0.002 0.000 2.626 28 V HA -0.285 3.852 4.120 0.027 0.000 0.252 28 V C 0.465 176.570 176.094 0.018 0.000 1.067 28 V CA 2.221 64.532 62.300 0.018 0.000 1.081 28 V CB -0.482 31.355 31.823 0.022 0.000 0.686 28 V HN 0.137 8.327 8.190 0.001 0.000 0.468 29 S N -1.102 114.604 115.700 0.010 0.000 2.603 29 S HA -0.113 4.366 4.470 0.015 0.000 0.229 29 S C -0.500 174.107 174.600 0.012 0.000 0.972 29 S CA 0.681 58.888 58.200 0.011 0.000 0.935 29 S CB 0.148 63.351 63.200 0.006 0.000 0.769 29 S HN -0.003 8.286 8.310 0.005 0.023 0.536 30 A N 1.737 124.563 122.820 0.010 0.000 3.300 30 A HA 0.365 4.696 4.320 0.019 0.000 0.300 30 A C -3.033 174.563 177.584 0.020 0.000 1.099 30 A CA -1.948 50.097 52.037 0.013 0.000 0.846 30 A CB 0.137 19.137 19.000 0.001 0.000 1.255 30 A HN -0.528 7.426 8.150 0.006 0.200 0.519 31 P HA 0.060 4.515 4.420 0.058 0.000 0.275 31 P C -1.622 175.736 177.300 0.095 0.000 1.227 31 P CA -0.787 62.353 63.100 0.067 0.000 0.781 31 P CB 1.084 32.832 31.700 0.079 0.000 0.906 32 L N 2.268 123.575 121.223 0.141 0.000 2.295 32 L HA 0.013 4.459 4.340 0.178 0.000 0.288 32 L C -0.566 176.458 176.870 0.255 0.000 1.079 32 L CA -0.633 54.335 54.840 0.214 0.000 0.830 32 L CB 0.813 43.036 42.059 0.274 0.000 1.200 32 L HN 0.102 8.419 8.230 0.146 0.000 0.438 33 D N 5.791 126.295 120.400 0.175 0.000 2.308 33 D HA -0.062 4.906 4.640 0.155 -0.235 0.251 33 D C -1.344 175.013 176.300 0.095 0.000 1.127 33 D CA -0.044 54.031 54.000 0.124 0.000 0.876 33 D CB 1.071 41.895 40.800 0.039 0.000 1.176 33 D HN 0.038 8.482 8.370 0.122 0.000 0.446 34 Y N 1.752 122.117 120.300 0.108 0.000 2.713 34 Y HA 0.047 4.673 4.550 0.127 0.000 0.335 34 Y C -1.817 174.147 175.900 0.106 0.000 1.222 34 Y CA -0.485 57.682 58.100 0.112 0.000 1.061 34 Y CB 4.110 42.633 38.460 0.106 0.000 1.314 34 Y HN -0.496 7.926 8.280 0.237 0.000 0.453 35 L N 1.777 123.209 121.223 0.348 0.000 2.410 35 L HA 0.010 4.490 4.340 0.234 0.000 0.273 35 L C -0.925 176.144 176.870 0.332 0.000 1.144 35 L CA 0.147 55.164 54.840 0.294 0.000 0.863 35 L CB 0.489 42.686 42.059 0.230 0.000 1.140 35 L HN 0.528 9.034 8.230 0.461 0.000 0.463 36 H N 7.455 126.628 119.070 0.173 0.000 2.790 36 H HA -0.122 4.488 4.556 0.089 0.000 0.358 36 H C 1.175 176.511 175.328 0.014 0.000 1.103 36 H CA 1.911 58.012 56.048 0.088 0.000 1.426 36 H CB 1.654 31.447 29.762 0.051 0.000 1.424 36 H HN -0.509 7.868 8.280 0.342 0.108 0.599 37 G N 6.896 115.445 108.800 -0.417 0.000 3.444 37 G HA2 -0.413 3.388 3.960 -0.266 0.000 0.222 37 G HA3 -0.413 3.480 3.960 -0.113 0.000 0.222 37 G C -1.148 173.714 174.900 -0.064 0.000 1.358 37 G CA 1.120 46.097 45.100 -0.204 0.000 0.880 37 G HN 0.586 8.352 8.290 -0.873 0.000 0.555 38 H N -0.650 118.409 119.070 -0.018 0.000 2.716 38 H HA 0.237 4.759 4.556 -0.056 0.000 0.260 38 H C -1.838 173.490 175.328 -0.000 0.000 1.280 38 H CA -2.507 53.524 56.048 -0.029 0.000 1.506 38 H CB 0.096 29.847 29.762 -0.019 0.000 1.514 38 H HN -0.100 8.183 8.280 0.131 0.075 0.502 39 G N 1.741 110.622 108.800 0.135 0.000 2.472 39 G HA2 0.239 4.305 3.960 0.175 0.000 0.212 39 G HA3 0.239 4.502 3.960 0.295 -0.126 0.212 39 G C -1.447 173.409 174.900 -0.074 0.000 1.484 39 G CA 0.379 45.578 45.100 0.166 0.000 0.542 39 G HN -0.232 8.258 8.290 0.053 -0.169 1.118 40 S N -1.478 114.081 115.700 -0.235 0.000 6.541 40 S HA -0.076 4.253 4.470 -0.236 0.000 0.087 40 S C -1.155 173.272 174.600 -0.288 0.000 1.262 40 S CA 0.141 58.125 58.200 -0.360 0.000 1.323 40 S CB 0.824 63.508 63.200 -0.860 0.000 1.739 40 S HN -0.588 7.808 8.310 -0.160 -0.182 0.531 41 L N 1.894 122.929 121.223 -0.314 0.000 2.605 41 L HA -0.175 4.009 4.340 -0.259 0.000 0.296 41 L C 0.073 176.783 176.870 -0.267 0.000 1.255 41 L CA 0.528 55.197 54.840 -0.285 0.000 0.879 41 L CB 0.439 42.303 42.059 -0.326 0.000 1.124 41 L HN -0.247 7.756 8.230 -0.379 0.000 0.507 42 I N -3.699 116.696 120.570 -0.293 0.000 3.017 42 I HA -0.242 3.769 4.170 -0.265 0.000 0.310 42 I C 1.407 177.404 176.117 -0.201 0.000 1.220 42 I CA 1.262 62.399 61.300 -0.272 0.000 1.450 42 I CB 0.256 38.057 38.000 -0.331 0.000 1.317 42 I HN 0.172 8.194 8.210 -0.313 0.000 0.570 43 S N 6.301 121.908 115.700 -0.155 0.000 2.359 43 S HA -0.318 4.349 4.470 -0.145 -0.283 0.224 43 S C 2.422 176.971 174.600 -0.084 0.000 1.035 43 S CA 3.352 61.480 58.200 -0.120 0.000 1.018 43 S CB -0.109 63.041 63.200 -0.085 0.000 0.876 43 S HN 0.441 8.659 8.310 -0.153 0.000 0.448 44 G N 1.047 109.816 108.800 -0.052 0.000 2.550 44 G HA2 -0.316 3.657 3.960 0.022 0.000 0.222 44 G HA3 -0.316 3.789 3.960 0.036 -0.124 0.222 44 G C 1.252 176.185 174.900 0.055 0.000 1.113 44 G CA 2.087 47.197 45.100 0.016 0.000 0.748 44 G HN -0.158 8.089 8.290 -0.071 0.000 0.585 45 L N -0.062 121.166 121.223 0.007 0.000 2.127 45 L HA -0.162 4.318 4.340 0.232 0.000 0.203 45 L C 1.312 178.156 176.870 -0.043 0.000 1.080 45 L CA 1.928 56.792 54.840 0.040 0.000 0.768 45 L CB -0.003 41.939 42.059 -0.194 0.000 0.924 45 L HN -0.541 7.514 8.230 -0.069 0.134 0.444 46 E N -1.130 118.963 120.200 -0.178 0.000 2.017 46 E HA -0.419 3.632 4.350 -0.497 0.000 0.193 46 E C 2.291 178.739 176.600 -0.254 0.000 0.997 46 E CA 3.419 59.568 56.400 -0.419 0.000 0.804 46 E CB -0.103 29.310 29.700 -0.478 0.000 0.757 46 E HN -0.551 7.620 8.360 -0.182 0.080 0.448 47 T N -0.660 113.850 114.554 -0.074 0.000 2.720 47 T HA -0.332 4.125 4.350 0.178 0.000 0.268 47 T C 1.976 176.779 174.700 0.172 0.000 1.037 47 T CA 3.707 65.863 62.100 0.094 0.000 1.144 47 T CB 0.003 68.900 68.868 0.048 0.000 0.864 47 T HN -0.202 7.979 8.240 -0.098 0.000 0.444 48 A N -0.182 122.739 122.820 0.168 0.000 2.070 48 A HA -0.151 4.310 4.320 0.235 0.000 0.220 48 A C 0.961 178.799 177.584 0.424 0.000 1.159 48 A CA 2.373 54.571 52.037 0.269 0.000 0.656 48 A CB -0.661 18.494 19.000 0.258 0.000 0.800 48 A HN -0.463 7.749 8.150 0.115 0.007 0.453 49 L N -3.793 117.665 121.223 0.392 0.000 2.240 49 L HA -0.050 4.629 4.340 0.565 0.000 0.211 49 L C -0.078 177.110 176.870 0.529 0.000 1.106 49 L CA 0.075 55.220 54.840 0.508 0.000 0.793 49 L CB 0.850 43.121 42.059 0.352 0.000 0.927 49 L HN -0.542 7.686 8.230 0.272 0.165 0.446 50 E N -0.840 119.628 120.200 0.448 0.000 2.529 50 E HA -0.369 4.115 4.350 -0.063 -0.172 0.259 50 E C 0.738 177.349 176.600 0.018 0.000 0.966 50 E CA 1.021 57.497 56.400 0.126 0.000 0.937 50 E CB 0.259 30.023 29.700 0.108 0.000 0.923 50 E HN -0.842 7.704 8.360 0.532 0.134 0.468 51 G N 7.089 115.863 108.800 -0.043 0.000 2.587 51 G HA2 -0.259 3.650 3.960 -0.085 0.000 0.245 51 G HA3 -0.259 3.606 3.960 -0.158 0.000 0.245 51 G C -1.739 173.020 174.900 -0.234 0.000 0.959 51 G CA 0.667 45.694 45.100 -0.120 0.000 1.268 51 G HN 0.201 8.459 8.290 -0.054 0.000 0.448 52 H N 2.992 122.035 119.070 -0.046 0.000 4.940 52 H HA 0.202 4.683 4.556 -0.125 0.000 0.098 52 H C -1.799 173.507 175.328 -0.037 0.000 1.282 52 H CA 0.797 56.807 56.048 -0.062 0.000 0.817 52 H CB 2.897 32.655 29.762 -0.007 0.000 1.352 52 H HN -0.098 8.210 8.280 0.047 0.000 0.128 53 E N -2.755 117.549 120.200 0.173 0.000 2.720 53 E HA 0.133 4.520 4.350 0.062 0.000 0.298 53 E C -1.816 174.834 176.600 0.083 0.000 1.150 53 E CA 0.315 56.769 56.400 0.090 0.000 0.921 53 E CB 2.476 32.223 29.700 0.077 0.000 1.164 53 E HN -0.005 8.490 8.360 0.225 0.000 0.447 54 V N 3.067 123.018 119.914 0.063 0.000 2.427 54 V HA -0.266 3.897 4.120 0.071 0.000 0.268 54 V C 0.291 176.419 176.094 0.057 0.000 1.046 54 V CA 1.625 63.962 62.300 0.061 0.000 0.970 54 V CB -0.186 31.667 31.823 0.050 0.000 1.001 54 V HN 0.516 8.737 8.190 0.051 0.000 0.476 55 G N 7.853 116.690 108.800 0.062 0.000 2.176 55 G HA2 -0.383 3.646 3.960 0.059 0.000 0.232 55 G HA3 -0.383 3.607 3.960 0.050 0.000 0.232 55 G C -1.396 173.540 174.900 0.059 0.000 0.986 55 G CA -0.461 44.674 45.100 0.057 0.000 0.643 55 G HN 0.889 9.082 8.290 0.069 0.138 0.522 56 D N 1.165 121.605 120.400 0.065 0.000 2.181 56 D HA 0.144 4.824 4.640 0.066 0.000 0.248 56 D C -1.975 174.373 176.300 0.081 0.000 1.020 56 D CA -1.049 52.993 54.000 0.071 0.000 0.891 56 D CB 2.366 43.211 40.800 0.075 0.000 1.187 56 D HN -0.692 7.660 8.370 0.068 0.059 0.443 57 K N 3.130 123.587 120.400 0.095 0.000 2.138 57 K HA 0.281 4.810 4.320 0.104 -0.147 0.263 57 K C -1.413 175.302 176.600 0.192 0.000 0.965 57 K CA -0.856 55.499 56.287 0.113 0.000 0.868 57 K CB 2.034 34.588 32.500 0.091 0.000 1.083 57 K HN 0.040 8.344 8.250 0.091 0.000 0.443 58 F N 5.702 125.623 119.950 -0.047 0.000 2.631 58 F HA 0.298 4.816 4.527 -0.014 0.000 0.308 58 F C -3.398 172.375 175.800 -0.045 0.000 1.097 58 F CA -1.621 56.343 58.000 -0.060 0.000 0.952 58 F CB 4.543 43.422 39.000 -0.201 0.000 1.307 58 F HN 1.097 9.365 8.300 0.145 0.119 0.450 59 D N 4.287 124.046 120.400 -1.070 0.000 2.217 59 D HA 0.329 4.737 4.640 -0.579 -0.115 0.243 59 D C -1.038 174.463 176.300 -1.331 0.000 1.054 59 D CA -0.183 53.279 54.000 -0.897 0.000 0.838 59 D CB 2.194 42.698 40.800 -0.493 0.000 1.162 59 D HN 0.016 7.766 8.370 -1.033 0.000 0.472 60 V N 3.120 122.425 119.914 -1.016 0.000 2.638 60 V HA 0.141 3.898 4.120 -0.605 0.000 0.306 60 V C -1.892 173.635 176.094 -0.945 0.000 1.052 60 V CA -1.554 60.277 62.300 -0.782 0.000 0.885 60 V CB 4.271 35.857 31.823 -0.396 0.000 0.999 60 V HN 0.041 7.622 8.190 -1.014 0.000 0.424 61 A N 7.187 129.710 122.820 -0.495 0.000 2.276 61 A HA 0.368 4.522 4.320 -0.485 -0.125 0.300 61 A C -1.117 176.398 177.584 -0.115 0.000 1.235 61 A CA -0.578 51.250 52.037 -0.348 0.000 0.867 61 A CB 0.609 19.497 19.000 -0.187 0.000 1.137 61 A HN 0.165 8.120 8.150 -0.326 0.000 0.527 62 V N 3.114 123.069 119.914 0.069 0.000 2.663 62 V HA 0.073 4.265 4.120 0.120 0.000 0.286 62 V C -0.975 175.291 176.094 0.287 0.000 1.085 62 V CA 0.263 62.689 62.300 0.211 0.000 0.916 62 V CB 2.692 34.702 31.823 0.312 0.000 1.039 62 V HN -0.217 8.026 8.190 0.088 0.000 0.453 63 G N 5.625 114.545 108.800 0.200 0.000 2.704 63 G HA2 -0.065 4.125 3.960 0.384 0.000 0.151 63 G HA3 -0.065 4.264 3.960 0.240 -0.225 0.151 63 G C -0.398 174.610 174.900 0.181 0.000 1.372 63 G CA 0.606 45.859 45.100 0.256 0.000 0.765 63 G HN -0.124 8.250 8.290 0.139 0.000 0.680 64 A N 1.488 124.389 122.820 0.135 0.000 2.067 64 A HA -0.170 4.283 4.320 0.154 -0.040 0.217 64 A C 1.077 178.746 177.584 0.141 0.000 1.156 64 A CA 2.375 54.492 52.037 0.133 0.000 0.683 64 A CB -0.175 18.871 19.000 0.076 0.000 0.808 64 A HN 0.176 8.407 8.150 0.112 -0.015 0.455 65 N N -5.143 113.622 118.700 0.108 0.000 2.409 65 N HA -0.174 4.646 4.740 0.133 0.000 0.179 65 N C -1.181 174.374 175.510 0.076 0.000 1.032 65 N CA 1.288 54.399 53.050 0.101 0.000 0.898 65 N CB 0.351 38.881 38.487 0.073 0.000 0.971 65 N HN -0.035 8.374 8.380 0.094 0.028 0.441 66 D N -2.325 118.113 120.400 0.064 0.000 3.222 66 D HA 0.064 4.710 4.640 0.010 0.000 0.198 66 D C -2.481 173.807 176.300 -0.020 0.000 1.360 66 D CA 0.390 54.401 54.000 0.019 0.000 1.388 66 D CB -0.145 40.666 40.800 0.018 0.000 1.213 66 D HN -0.867 7.412 8.370 0.082 0.140 0.717 67 A N -0.033 122.752 122.820 -0.057 0.000 2.597 67 A HA 0.291 4.414 4.320 -0.329 0.000 0.117 67 A C -1.253 176.074 177.584 -0.428 0.000 1.465 67 A CA 1.276 53.168 52.037 -0.243 0.000 2.326 67 A CB 0.559 19.547 19.000 -0.020 0.000 2.358 67 A HN -0.238 7.901 8.150 -0.017 0.000 1.040 68 Y N -1.180 119.138 120.300 0.030 0.000 2.559 68 Y HA 0.085 4.645 4.550 0.017 0.000 0.279 68 Y C 1.543 177.469 175.900 0.043 0.000 1.117 68 Y CA 1.172 59.289 58.100 0.028 0.000 1.263 68 Y CB 1.995 40.473 38.460 0.029 0.000 1.230 68 Y HN -0.338 7.984 8.280 0.245 0.104 0.528 69 G N -2.462 106.468 108.800 0.217 0.000 2.404 69 G HA2 -0.150 3.905 3.960 0.158 0.000 0.213 69 G HA3 -0.150 3.909 3.960 0.164 0.000 0.213 69 G C -0.689 174.297 174.900 0.143 0.000 1.189 69 G CA 0.303 45.502 45.100 0.166 0.000 0.796 69 G HN -0.651 7.664 8.290 0.247 0.122 0.532 70 Q N -4.378 115.498 119.800 0.126 0.000 2.478 70 Q HA -0.567 3.830 4.340 0.076 -0.011 0.286 70 Q C -0.943 175.143 176.000 0.143 0.000 1.299 70 Q CA 0.181 56.041 55.803 0.096 0.000 0.826 70 Q CB -2.820 25.945 28.738 0.046 0.000 1.199 70 Q HN -0.649 7.632 8.270 0.124 0.063 0.451 71 Y N 0.195 120.518 120.300 0.038 0.000 2.993 71 Y HA -0.314 4.266 4.550 0.050 0.000 0.340 71 Y C -0.235 175.681 175.900 0.026 0.000 1.273 71 Y CA 1.208 59.332 58.100 0.040 0.000 1.545 71 Y CB 0.632 39.116 38.460 0.041 0.000 1.275 71 Y HN -0.147 8.177 8.280 0.298 0.135 0.617 72 D N 7.327 127.402 120.400 -0.542 0.000 2.500 72 D HA 0.063 4.575 4.640 -0.214 0.000 0.219 72 D C -0.060 175.920 176.300 -0.533 0.000 1.137 72 D CA 0.306 54.068 54.000 -0.397 0.000 0.946 72 D CB -0.634 40.000 40.800 -0.276 0.000 1.022 72 D HN 0.258 8.199 8.370 -0.715 0.000 0.518 73 E N 3.393 123.393 120.200 -0.332 0.000 2.409 73 E HA -0.200 4.003 4.350 -0.245 0.000 0.198 73 E C 0.682 177.196 176.600 -0.143 0.000 1.024 73 E CA 2.007 58.288 56.400 -0.199 0.000 0.861 73 E CB 0.058 29.733 29.700 -0.041 0.000 0.788 73 E HN 0.033 8.272 8.360 -0.201 0.000 0.521 74 N N -2.092 116.523 118.700 -0.141 0.000 2.461 74 N HA -0.069 4.627 4.740 -0.074 0.000 0.188 74 N C 0.208 175.659 175.510 -0.098 0.000 1.134 74 N CA 1.861 54.854 53.050 -0.095 0.000 0.878 74 N CB 0.327 38.768 38.487 -0.077 0.000 0.972 74 N HN -0.008 8.207 8.380 -0.162 0.068 0.456 75 L N -2.471 118.669 121.223 -0.139 0.000 2.701 75 L HA 0.292 4.588 4.340 -0.073 0.000 0.238 75 L C -1.790 175.030 176.870 -0.083 0.000 1.106 75 L CA -0.402 54.374 54.840 -0.106 0.000 0.898 75 L CB 1.298 43.280 42.059 -0.129 0.000 1.188 75 L HN -0.426 7.498 8.230 -0.203 0.184 0.508 76 V N -4.385 115.471 119.914 -0.097 0.000 2.406 76 V HA 0.339 4.603 4.120 -0.006 -0.148 0.272 76 V C -0.624 175.448 176.094 -0.036 0.000 1.043 76 V CA -1.166 61.115 62.300 -0.032 0.000 0.915 76 V CB 0.611 32.441 31.823 0.011 0.000 0.988 76 V HN -1.069 7.037 8.190 -0.141 0.000 0.466 77 Q N 7.434 127.210 119.800 -0.039 0.000 2.271 77 Q HA 0.322 4.616 4.340 -0.077 0.000 0.268 77 Q C -1.450 174.499 176.000 -0.084 0.000 1.021 77 Q CA -0.931 54.829 55.803 -0.072 0.000 0.802 77 Q CB 4.737 33.424 28.738 -0.085 0.000 1.282 77 Q HN 0.124 8.379 8.270 -0.024 0.000 0.431 78 R N 5.093 125.514 120.500 -0.133 0.000 2.265 78 R HA 0.476 4.917 4.340 -0.035 -0.122 0.328 78 R C -1.243 174.913 176.300 -0.241 0.000 0.969 78 R CA -0.626 55.377 56.100 -0.162 0.000 0.832 78 R CB 0.863 30.992 30.300 -0.285 0.000 1.139 78 R HN 0.299 8.476 8.270 -0.155 0.000 0.457 79 V N -0.882 118.989 119.914 -0.071 0.000 3.012 79 V HA 0.597 4.689 4.120 -0.047 0.000 0.307 79 V C -2.646 173.532 176.094 0.140 0.000 1.166 79 V CA -4.167 58.123 62.300 -0.017 0.000 0.974 79 V CB 3.338 35.100 31.823 -0.102 0.000 1.040 79 V HN -0.162 8.027 8.190 -0.002 0.000 0.428 80 P HA 0.340 4.926 4.420 0.169 -0.064 0.274 80 P C 0.093 177.529 177.300 0.227 0.000 1.246 80 P CA -0.886 62.319 63.100 0.175 0.000 0.795 80 P CB 1.064 32.841 31.700 0.128 0.000 1.006 81 K N -2.078 118.392 120.400 0.117 0.000 2.555 81 K HA -0.230 4.035 4.320 -0.092 0.000 0.193 81 K C 1.499 178.109 176.600 0.016 0.000 1.032 81 K CA 2.192 58.436 56.287 -0.072 0.000 1.004 81 K CB -0.557 31.767 32.500 -0.293 0.000 0.804 81 K HN 0.269 8.550 8.250 0.053 0.000 0.496 82 D N -0.120 120.327 120.400 0.078 0.000 2.311 82 D HA -0.224 4.433 4.640 0.028 0.000 0.212 82 D C 0.754 177.124 176.300 0.117 0.000 0.972 82 D CA 3.032 57.072 54.000 0.066 0.000 0.887 82 D CB -0.781 40.054 40.800 0.058 0.000 0.915 82 D HN -0.186 8.149 8.370 0.087 0.088 0.497 83 V N -2.261 117.787 119.914 0.222 0.000 3.647 83 V HA -0.022 4.182 4.120 0.139 0.000 0.279 83 V C -1.447 174.881 176.094 0.390 0.000 1.314 83 V CA 0.083 62.515 62.300 0.221 0.000 1.125 83 V CB 1.278 33.171 31.823 0.117 0.000 0.907 83 V HN -0.796 7.516 8.190 0.292 0.053 0.434 84 F N -3.621 116.318 119.950 -0.018 0.000 2.770 84 F HA 0.151 4.713 4.527 0.057 0.000 0.334 84 F C -2.737 173.072 175.800 0.015 0.000 1.116 84 F CA -0.329 57.684 58.000 0.023 0.000 1.152 84 F CB 0.155 39.166 39.000 0.019 0.000 1.418 84 F HN 0.002 8.324 8.300 0.374 0.203 0.618 85 M N 2.025 121.496 119.600 -0.214 0.000 2.821 85 M HA 0.150 4.311 4.480 -0.531 0.000 0.432 85 M C -0.823 175.401 176.300 -0.126 0.000 1.291 85 M CA 0.106 55.225 55.300 -0.301 0.000 0.838 85 M CB 1.471 33.950 32.600 -0.203 0.000 1.505 85 M HN 0.252 8.527 8.290 -0.025 0.000 0.523 86 G N -1.205 107.575 108.800 -0.032 0.000 4.917 86 G HA2 0.235 4.190 3.960 -0.010 0.000 0.244 86 G HA3 0.235 4.208 3.960 0.021 0.000 0.244 86 G C -0.657 174.280 174.900 0.063 0.000 1.072 86 G CA 0.056 45.164 45.100 0.012 0.000 0.850 86 G HN -0.378 7.920 8.290 0.014 0.000 0.559 87 V N -0.195 119.774 119.914 0.093 0.000 3.272 87 V HA -0.074 4.126 4.120 0.133 0.000 0.361 87 V C -0.328 175.815 176.094 0.080 0.000 1.288 87 V CA 0.109 62.492 62.300 0.139 0.000 1.315 87 V CB -0.101 31.891 31.823 0.281 0.000 1.235 87 V HN -0.439 7.784 8.190 0.056 0.000 0.465 88 D N -0.581 119.848 120.400 0.048 0.000 2.946 88 D HA -0.308 4.346 4.640 0.023 0.000 0.202 88 D C -1.148 175.170 176.300 0.031 0.000 1.068 88 D CA 1.526 55.545 54.000 0.032 0.000 1.011 88 D CB -0.336 40.483 40.800 0.031 0.000 1.105 88 D HN -0.047 8.238 8.370 0.042 0.110 0.425 89 E N -2.672 117.550 120.200 0.037 0.000 3.562 89 E HA -0.049 4.310 4.350 0.016 0.000 0.377 89 E C -2.212 174.413 176.600 0.041 0.000 1.050 89 E CA -0.225 56.194 56.400 0.032 0.000 0.705 89 E CB 0.790 30.513 29.700 0.039 0.000 1.314 89 E HN -0.143 8.149 8.360 0.047 0.096 0.484 90 L N 3.117 124.341 121.223 0.000 0.000 2.283 90 L HA 0.280 4.635 4.340 0.025 0.000 0.281 90 L C -0.841 176.023 176.870 -0.010 0.000 1.033 90 L CA -0.385 54.440 54.840 -0.026 0.000 0.848 90 L CB -0.714 41.259 42.059 -0.143 0.000 1.226 90 L HN 0.187 8.408 8.230 -0.015 0.000 0.429 91 Q N 5.658 125.478 119.800 0.034 0.000 2.418 91 Q HA 0.218 4.566 4.340 0.013 0.000 0.282 91 Q C -1.540 174.494 176.000 0.057 0.000 1.044 91 Q CA -1.356 54.466 55.803 0.032 0.000 0.813 91 Q CB 4.179 32.936 28.738 0.032 0.000 1.428 91 Q HN 0.204 8.516 8.270 0.071 0.000 0.402 92 V N 2.082 122.024 119.914 0.047 0.000 2.673 92 V HA -0.371 3.794 4.120 0.074 0.000 0.303 92 V C 0.871 177.004 176.094 0.065 0.000 1.046 92 V CA 2.236 64.572 62.300 0.060 0.000 1.126 92 V CB -0.292 31.557 31.823 0.045 0.000 0.934 92 V HN 0.361 8.571 8.190 0.033 0.000 0.487 93 G N 5.103 113.949 108.800 0.078 0.000 2.345 93 G HA2 -0.383 3.719 3.960 0.074 0.000 0.218 93 G HA3 -0.383 3.614 3.960 0.062 0.000 0.218 93 G C -1.062 173.890 174.900 0.086 0.000 1.058 93 G CA -0.209 44.936 45.100 0.074 0.000 0.632 93 G HN 0.322 8.528 8.290 0.086 0.136 0.508 94 M N 1.384 121.043 119.600 0.098 0.000 2.233 94 M HA -0.263 4.271 4.480 0.091 0.000 0.307 94 M C -1.511 174.874 176.300 0.141 0.000 1.026 94 M CA 1.706 57.076 55.300 0.116 0.000 1.109 94 M CB 1.211 33.897 32.600 0.142 0.000 1.463 94 M HN -0.821 7.435 8.290 0.093 0.090 0.436 95 R N 2.672 123.248 120.500 0.127 0.000 2.265 95 R HA 0.130 4.651 4.340 0.133 -0.100 0.319 95 R C -0.862 175.542 176.300 0.173 0.000 1.006 95 R CA 0.005 56.181 56.100 0.126 0.000 0.880 95 R CB 1.010 31.350 30.300 0.067 0.000 1.077 95 R HN 0.147 8.478 8.270 0.103 0.000 0.454 96 F N 5.996 125.964 119.950 0.030 0.000 2.575 96 F HA 0.303 4.852 4.527 0.037 0.000 0.330 96 F C -2.709 173.078 175.800 -0.021 0.000 1.056 96 F CA -1.490 56.517 58.000 0.013 0.000 0.964 96 F CB 4.564 43.558 39.000 -0.010 0.000 1.258 96 F HN 0.702 9.047 8.300 0.268 0.117 0.484 97 L N 2.182 123.079 121.223 -0.543 0.000 2.342 97 L HA 0.197 4.512 4.340 -0.041 0.000 0.276 97 L C -1.682 175.167 176.870 -0.034 0.000 0.997 97 L CA -0.613 54.104 54.840 -0.206 0.000 0.838 97 L CB 2.029 43.914 42.059 -0.290 0.000 1.224 97 L HN 0.122 7.296 8.230 -1.759 0.000 0.416 98 A N 5.234 128.139 122.820 0.141 0.000 2.292 98 A HA 0.369 4.822 4.320 0.222 0.000 0.319 98 A C -1.607 176.002 177.584 0.041 0.000 1.206 98 A CA -1.452 50.670 52.037 0.141 0.000 0.835 98 A CB 2.183 21.242 19.000 0.098 0.000 1.164 98 A HN 0.751 8.972 8.150 0.118 0.000 0.505 99 E N 5.728 125.944 120.200 0.028 0.000 2.026 99 E HA 0.212 4.672 4.350 -0.004 -0.112 0.253 99 E C -0.458 176.141 176.600 -0.001 0.000 1.056 99 E CA -1.177 55.225 56.400 0.003 0.000 0.927 99 E CB 0.073 29.772 29.700 -0.001 0.000 1.172 99 E HN 0.478 8.866 8.360 0.047 0.000 0.445 100 T N 2.466 117.016 114.554 -0.007 0.000 2.754 100 T HA 0.058 4.399 4.350 -0.015 0.000 0.286 100 T C 1.405 176.096 174.700 -0.014 0.000 0.997 100 T CA -0.985 61.107 62.100 -0.015 0.000 0.982 100 T CB 1.271 70.126 68.868 -0.021 0.000 1.027 100 T HN -0.380 7.856 8.240 -0.007 0.000 0.529 101 D N -1.284 119.107 120.400 -0.016 0.000 2.182 101 D HA -0.230 4.403 4.640 -0.012 0.000 0.201 101 D C 1.124 177.415 176.300 -0.015 0.000 0.986 101 D CA 2.708 56.699 54.000 -0.014 0.000 0.847 101 D CB -0.408 40.383 40.800 -0.015 0.000 0.942 101 D HN 0.381 8.741 8.370 -0.018 0.000 0.467 102 Q N -2.849 116.940 119.800 -0.018 0.000 2.500 102 Q HA -0.153 4.176 4.340 -0.018 0.000 0.213 102 Q C 0.677 176.667 176.000 -0.017 0.000 0.974 102 Q CA 0.097 55.888 55.803 -0.019 0.000 0.918 102 Q CB 0.585 29.309 28.738 -0.023 0.000 0.980 102 Q HN -0.434 7.802 8.270 -0.020 0.022 0.505 103 G N -1.279 107.512 108.800 -0.015 0.000 2.318 103 G HA2 -0.150 3.802 3.960 -0.013 0.000 0.367 103 G HA3 -0.150 3.801 3.960 -0.015 0.000 0.367 103 G C -3.042 171.850 174.900 -0.014 0.000 1.260 103 G CA -0.607 44.484 45.100 -0.015 0.000 1.055 103 G HN -0.231 7.834 8.290 -0.015 0.216 0.484 104 P HA 0.053 4.464 4.420 -0.016 0.000 0.276 104 P C -1.398 175.893 177.300 -0.015 0.000 1.264 104 P CA 0.202 63.292 63.100 -0.017 0.000 0.769 104 P CB 0.035 31.722 31.700 -0.021 0.000 0.840 105 V N 5.750 125.658 119.914 -0.009 0.000 2.349 105 V HA 0.390 4.504 4.120 -0.011 0.000 0.284 105 V C -1.912 174.188 176.094 0.010 0.000 1.014 105 V CA -2.955 59.342 62.300 -0.006 0.000 0.826 105 V CB 2.442 34.259 31.823 -0.010 0.000 1.009 105 V HN 1.162 9.233 8.190 -0.004 0.116 0.431 106 P HA 0.126 4.657 4.420 0.017 -0.100 0.276 106 P C -1.258 176.067 177.300 0.043 0.000 1.243 106 P CA -0.602 62.509 63.100 0.019 0.000 0.768 106 P CB -0.108 31.595 31.700 0.004 0.000 0.856 107 V N -2.862 117.105 119.914 0.087 0.000 3.158 107 V HA 0.483 4.637 4.120 0.056 0.000 0.315 107 V C -1.833 174.331 176.094 0.117 0.000 1.148 107 V CA -3.629 58.724 62.300 0.088 0.000 1.042 107 V CB 3.702 35.574 31.823 0.082 0.000 1.101 107 V HN 0.681 8.832 8.190 0.121 0.111 0.448 108 E N 1.077 121.337 120.200 0.099 0.000 2.378 108 E HA 0.463 5.047 4.350 0.144 -0.147 0.282 108 E C -0.194 176.466 176.600 0.100 0.000 0.910 108 E CA -1.606 54.861 56.400 0.111 0.000 0.816 108 E CB 2.514 32.267 29.700 0.089 0.000 1.359 108 E HN 0.127 8.533 8.360 0.077 0.000 0.397 109 I N 4.914 125.552 120.570 0.113 0.000 2.906 109 I HA -0.131 4.275 4.170 0.083 -0.185 0.302 109 I C -1.248 174.922 176.117 0.088 0.000 1.220 109 I CA 0.782 62.141 61.300 0.099 0.000 1.441 109 I CB -0.803 37.270 38.000 0.122 0.000 1.336 109 I HN 0.307 8.605 8.210 0.145 0.000 0.565 110 T N 6.398 121.001 114.554 0.081 0.000 2.959 110 T HA 0.024 4.421 4.350 0.077 0.000 0.254 110 T C -0.999 173.739 174.700 0.064 0.000 1.003 110 T CA -0.492 61.655 62.100 0.077 0.000 0.950 110 T CB 1.253 70.174 68.868 0.089 0.000 1.090 110 T HN 0.400 8.687 8.240 0.079 0.000 0.503 111 A N 1.900 124.756 122.820 0.061 0.000 2.401 111 A HA 0.030 4.374 4.320 0.040 0.000 0.313 111 A C -2.171 175.441 177.584 0.046 0.000 1.013 111 A CA 0.269 52.333 52.037 0.046 0.000 1.034 111 A CB 1.469 20.492 19.000 0.038 0.000 1.324 111 A HN -0.642 7.549 8.150 0.068 0.000 0.366 112 V N 3.009 122.945 119.914 0.037 0.000 2.843 112 V HA -0.099 4.054 4.120 0.054 0.000 0.305 112 V C -1.227 174.871 176.094 0.006 0.000 1.065 112 V CA 0.606 62.925 62.300 0.032 0.000 1.116 112 V CB 1.254 33.087 31.823 0.018 0.000 0.968 112 V HN 0.137 8.347 8.190 0.033 0.000 0.487 113 E N 6.480 126.670 120.200 -0.016 0.000 2.367 113 E HA 0.155 4.472 4.350 -0.055 0.000 0.273 113 E C -1.557 174.947 176.600 -0.159 0.000 0.903 113 E CA -2.023 54.330 56.400 -0.077 0.000 0.764 113 E CB 3.534 33.190 29.700 -0.073 0.000 1.252 113 E HN -0.248 8.114 8.360 0.003 0.000 0.446 114 D N 1.151 121.459 120.400 -0.153 0.000 2.429 114 D HA -0.277 4.296 4.640 -0.111 0.000 0.233 114 D C 0.770 176.895 176.300 -0.293 0.000 1.202 114 D CA 2.458 56.361 54.000 -0.161 0.000 0.879 114 D CB 0.779 41.508 40.800 -0.117 0.000 1.212 114 D HN 0.384 8.686 8.370 -0.115 0.000 0.465 115 D N -1.548 118.737 120.400 -0.192 0.000 3.821 115 D HA -0.362 4.243 4.640 -0.060 0.000 0.204 115 D C -0.982 175.257 176.300 -0.101 0.000 1.303 115 D CA 2.413 56.310 54.000 -0.172 0.000 2.340 115 D CB -0.709 39.919 40.800 -0.286 0.000 1.233 115 D HN 0.556 8.857 8.370 -0.115 0.000 0.420 116 H N -6.478 112.598 119.070 0.011 0.000 2.981 116 H HA 0.200 4.800 4.556 0.025 -0.029 0.327 116 H C -1.349 173.992 175.328 0.023 0.000 1.342 116 H CA -1.631 54.429 56.048 0.019 0.000 1.123 116 H CB 1.493 31.263 29.762 0.014 0.000 1.851 116 H HN 0.011 7.683 8.280 -0.875 0.083 0.531 117 V N -1.237 118.813 119.914 0.228 0.000 3.336 117 V HA 0.002 4.273 4.120 0.105 -0.088 0.304 117 V C -0.589 175.625 176.094 0.199 0.000 1.073 117 V CA -0.796 61.602 62.300 0.165 0.000 1.074 117 V CB 1.191 33.106 31.823 0.153 0.000 1.161 117 V HN 0.274 8.546 8.190 0.228 0.055 0.460 118 V N 0.568 120.560 119.914 0.130 0.000 2.444 118 V HA 0.099 4.282 4.120 0.105 0.000 0.294 118 V C -1.948 174.188 176.094 0.069 0.000 1.022 118 V CA -0.588 61.774 62.300 0.104 0.000 0.850 118 V CB 1.886 33.769 31.823 0.101 0.000 0.992 118 V HN -0.246 8.008 8.190 0.106 0.000 0.426 119 V N 7.706 127.643 119.914 0.039 0.000 2.555 119 V HA 0.267 4.539 4.120 0.056 -0.118 0.302 119 V C -2.533 173.586 176.094 0.042 0.000 1.038 119 V CA -1.687 60.633 62.300 0.033 0.000 0.887 119 V CB 3.649 35.458 31.823 -0.024 0.000 0.991 119 V HN 0.047 8.249 8.190 0.021 0.000 0.434 120 D N 6.886 127.325 120.400 0.066 0.000 2.725 120 D HA 0.308 4.976 4.640 0.047 0.000 0.292 120 D C -1.246 175.108 176.300 0.089 0.000 1.288 120 D CA -1.681 52.365 54.000 0.077 0.000 0.784 120 D CB 3.541 44.415 40.800 0.124 0.000 1.308 120 D HN 0.047 8.363 8.370 0.074 0.098 0.429 121 G N -0.878 107.975 108.800 0.089 0.000 3.137 121 G HA2 0.168 4.171 3.960 0.071 0.000 0.163 121 G HA3 0.168 4.164 3.960 0.061 0.000 0.163 121 G C -1.022 173.954 174.900 0.126 0.000 1.602 121 G CA -0.050 45.101 45.100 0.084 0.000 1.067 121 G HN 0.190 8.527 8.290 0.077 0.000 0.568 122 N N 1.588 120.353 118.700 0.109 0.000 2.372 122 N HA 0.165 4.967 4.740 0.103 0.000 0.291 122 N C -0.308 175.281 175.510 0.131 0.000 1.024 122 N CA -0.358 52.742 53.050 0.084 0.000 0.873 122 N CB 1.258 39.750 38.487 0.008 0.000 1.206 122 N HN 0.019 8.449 8.380 0.083 0.000 0.486 123 H N 1.455 120.603 119.070 0.130 0.000 2.586 123 H HA 0.254 4.958 4.556 0.246 0.000 0.273 123 H C 1.043 176.414 175.328 0.071 0.000 0.997 123 H CA 0.896 57.031 56.048 0.144 0.000 1.177 123 H CB 0.478 30.279 29.762 0.064 0.000 1.471 123 H HN 0.474 8.724 8.280 -0.050 0.000 0.538 124 M N 0.543 119.838 119.600 -0.508 0.000 2.192 124 M HA -0.313 3.957 4.480 -0.351 0.000 0.259 124 M C 0.806 177.061 176.300 -0.074 0.000 1.071 124 M CA 3.168 58.285 55.300 -0.305 0.000 1.082 124 M CB -0.859 31.600 32.600 -0.235 0.000 1.373 124 M HN 0.307 8.199 8.290 -0.572 0.055 0.408 125 L N -9.513 111.702 121.223 -0.014 0.000 2.607 125 L HA 0.357 4.714 4.340 0.028 0.000 0.228 125 L C -1.390 175.536 176.870 0.093 0.000 1.123 125 L CA -0.657 54.206 54.840 0.038 0.000 0.890 125 L CB -0.519 41.561 42.059 0.035 0.000 1.103 125 L HN -0.471 7.722 8.230 -0.019 0.026 0.468 126 A N -2.256 120.649 122.820 0.141 0.000 2.548 126 A HA 0.296 4.720 4.320 0.174 0.000 0.262 126 A C -0.686 176.986 177.584 0.146 0.000 1.271 126 A CA -1.405 50.756 52.037 0.206 0.000 0.839 126 A CB 1.905 21.133 19.000 0.379 0.000 1.381 126 A HN -0.316 7.685 8.150 0.131 0.228 0.468 127 G N -2.822 106.016 108.800 0.064 0.000 2.203 127 G HA2 -0.338 3.474 3.960 -0.247 0.000 0.263 127 G HA3 -0.338 3.480 3.960 -0.238 0.000 0.263 127 G C 0.039 174.929 174.900 -0.018 0.000 1.012 127 G CA 1.054 46.070 45.100 -0.141 0.000 0.749 127 G HN 0.296 8.695 8.290 0.181 0.000 0.512 128 Q N -0.429 119.402 119.800 0.052 0.000 3.027 128 Q HA -0.089 4.275 4.340 0.039 0.000 0.260 128 Q C -0.996 175.045 176.000 0.069 0.000 1.379 128 Q CA -0.870 54.968 55.803 0.059 0.000 1.038 128 Q CB -1.043 27.744 28.738 0.082 0.000 1.578 128 Q HN 0.001 8.282 8.270 0.087 0.041 0.571 129 N N 1.705 120.427 118.700 0.037 0.000 2.452 129 N HA -0.098 4.759 4.740 0.081 -0.068 0.266 129 N C -1.123 174.418 175.510 0.052 0.000 1.175 129 N CA -0.144 52.935 53.050 0.047 0.000 0.945 129 N CB 0.231 38.720 38.487 0.004 0.000 1.063 129 N HN -0.436 7.906 8.380 0.006 0.042 0.472 130 L N 1.944 123.228 121.223 0.102 0.000 2.334 130 L HA 0.186 4.559 4.340 0.055 0.000 0.272 130 L C -1.133 175.791 176.870 0.090 0.000 1.020 130 L CA -0.828 54.074 54.840 0.104 0.000 0.812 130 L CB 3.185 45.334 42.059 0.150 0.000 1.264 130 L HN 0.231 8.553 8.230 0.153 0.000 0.439 131 K N -1.195 119.231 120.400 0.043 0.000 2.292 131 K HA 0.406 4.560 4.320 -0.277 0.000 0.257 131 K C -1.508 175.092 176.600 -0.001 0.000 0.940 131 K CA -1.124 55.101 56.287 -0.104 0.000 0.811 131 K CB 1.304 33.743 32.500 -0.102 0.000 1.120 131 K HN -0.226 8.056 8.250 0.052 0.000 0.428 132 F N 0.452 120.390 119.950 -0.021 0.000 2.608 132 F HA 0.837 5.510 4.527 0.024 -0.132 0.309 132 F C -2.402 173.385 175.800 -0.022 0.000 1.103 132 F CA -2.240 55.771 58.000 0.018 0.000 0.954 132 F CB 2.864 41.922 39.000 0.096 0.000 1.267 132 F HN -0.224 7.452 8.300 -1.041 0.000 0.444 133 N N 1.200 120.030 118.700 0.218 0.000 2.498 133 N HA 0.397 5.264 4.740 -0.100 -0.187 0.287 133 N C -1.436 174.249 175.510 0.291 0.000 1.097 133 N CA -0.388 52.722 53.050 0.101 0.000 0.973 133 N CB 1.677 40.197 38.487 0.054 0.000 1.153 133 N HN 0.085 8.611 8.380 0.243 0.000 0.472 134 V N 1.152 121.181 119.914 0.191 0.000 2.769 134 V HA 0.338 4.808 4.120 0.365 -0.131 0.312 134 V C -1.722 174.465 176.094 0.155 0.000 1.061 134 V CA -1.341 61.106 62.300 0.246 0.000 0.931 134 V CB 4.181 36.137 31.823 0.222 0.000 1.010 134 V HN 1.251 9.340 8.190 0.034 0.121 0.433 135 E N 4.798 125.095 120.200 0.162 0.000 2.283 135 E HA 0.560 5.158 4.350 0.098 -0.190 0.258 135 E C -1.389 175.280 176.600 0.114 0.000 0.893 135 E CA -1.483 54.987 56.400 0.116 0.000 0.798 135 E CB 2.822 32.586 29.700 0.106 0.000 1.242 135 E HN 0.170 8.656 8.360 0.211 0.000 0.414 136 V N 4.581 124.553 119.914 0.095 0.000 2.614 136 V HA -0.151 4.041 4.120 0.120 0.000 0.291 136 V C -0.545 175.603 176.094 0.091 0.000 1.049 136 V CA 0.816 63.178 62.300 0.103 0.000 1.038 136 V CB 0.098 31.981 31.823 0.099 0.000 0.980 136 V HN 0.039 8.274 8.190 0.075 0.000 0.481 137 V N 6.686 126.655 119.914 0.092 0.000 3.151 137 V HA 0.062 4.224 4.120 0.069 0.000 0.241 137 V C -1.127 175.009 176.094 0.070 0.000 1.173 137 V CA 0.392 62.737 62.300 0.076 0.000 1.154 137 V CB 1.096 32.965 31.823 0.077 0.000 0.898 137 V HN 0.245 8.498 8.190 0.104 0.000 0.473 138 A N -1.748 121.118 122.820 0.077 0.000 2.609 138 A HA 0.229 4.584 4.320 0.060 0.000 0.291 138 A C -2.645 174.981 177.584 0.070 0.000 1.096 138 A CA -0.681 51.397 52.037 0.068 0.000 0.684 138 A CB 3.093 22.134 19.000 0.067 0.000 1.282 138 A HN -0.780 7.424 8.150 0.089 0.000 0.412 139 I N -0.471 120.133 120.570 0.056 0.000 2.540 139 I HA 0.256 4.578 4.170 0.059 -0.116 0.280 139 I C -1.403 174.735 176.117 0.036 0.000 1.083 139 I CA -0.350 60.978 61.300 0.047 0.000 1.080 139 I CB 2.133 40.153 38.000 0.034 0.000 1.205 139 I HN 0.266 8.506 8.210 0.051 0.000 0.459 140 R N 5.610 126.131 120.500 0.035 0.000 2.837 140 R HA 0.419 4.776 4.340 0.028 0.000 0.271 140 R C -1.852 174.456 176.300 0.014 0.000 0.993 140 R CA -2.929 53.187 56.100 0.027 0.000 0.931 140 R CB 4.595 34.917 30.300 0.037 0.000 1.206 140 R HN 0.461 8.755 8.270 0.041 0.000 0.474 141 E N 0.638 120.846 120.200 0.013 0.000 2.277 141 E HA 0.130 4.655 4.350 0.021 -0.163 0.274 141 E C -2.099 174.495 176.600 -0.009 0.000 1.022 141 E CA -0.799 55.608 56.400 0.011 0.000 0.853 141 E CB 1.157 30.866 29.700 0.015 0.000 1.086 141 E HN 0.115 8.488 8.360 0.021 0.000 0.397 142 A N 3.544 126.355 122.820 -0.016 0.000 2.279 142 A HA 0.210 4.603 4.320 -0.097 -0.131 0.303 142 A C -0.215 177.357 177.584 -0.019 0.000 1.108 142 A CA -0.553 51.453 52.037 -0.052 0.000 0.830 142 A CB 1.541 20.501 19.000 -0.066 0.000 1.106 142 A HN 0.035 8.192 8.150 0.011 0.000 0.493 143 T N 0.247 114.797 114.554 -0.008 0.000 2.689 143 T HA -0.037 4.320 4.350 0.010 0.000 0.308 143 T C 1.077 175.757 174.700 -0.035 0.000 1.021 143 T CA -0.260 61.841 62.100 0.002 0.000 0.973 143 T CB 0.753 69.640 68.868 0.032 0.000 1.113 143 T HN -0.260 8.299 8.240 -0.004 -0.322 0.522 144 E N 0.935 121.114 120.200 -0.034 0.000 2.058 144 E HA -0.319 3.993 4.350 -0.064 0.000 0.194 144 E C 2.574 179.092 176.600 -0.137 0.000 0.997 144 E CA 3.912 60.273 56.400 -0.066 0.000 0.801 144 E CB -0.396 29.279 29.700 -0.041 0.000 0.746 144 E HN 0.470 8.821 8.360 -0.014 0.000 0.450 145 E N -1.485 118.641 120.200 -0.124 0.000 2.152 145 E HA -0.222 3.882 4.350 -0.410 0.000 0.192 145 E C 2.077 178.495 176.600 -0.303 0.000 0.983 145 E CA 3.113 59.365 56.400 -0.245 0.000 0.818 145 E CB -0.404 29.274 29.700 -0.036 0.000 0.758 145 E HN 0.205 8.530 8.360 -0.058 0.000 0.467 146 E N -1.128 118.993 120.200 -0.132 0.000 2.077 146 E HA -0.279 4.099 4.350 -0.035 -0.049 0.193 146 E C 2.510 178.988 176.600 -0.203 0.000 0.989 146 E CA 2.996 59.334 56.400 -0.104 0.000 0.800 146 E CB -0.211 29.452 29.700 -0.061 0.000 0.746 146 E HN 0.129 8.364 8.360 -0.076 0.080 0.452 147 L N -3.510 117.590 121.223 -0.204 0.000 2.492 147 L HA -0.095 4.069 4.340 -0.293 0.000 0.223 147 L C 1.209 177.885 176.870 -0.324 0.000 1.132 147 L CA 1.897 56.590 54.840 -0.246 0.000 0.850 147 L CB -0.076 41.910 42.059 -0.122 0.000 0.966 147 L HN -0.085 8.050 8.230 -0.159 0.000 0.454 148 A N -1.124 121.456 122.820 -0.399 0.000 1.854 148 A HA -0.172 3.979 4.320 -0.281 0.000 0.214 148 A C 1.528 178.858 177.584 -0.423 0.000 1.192 148 A CA 2.477 54.240 52.037 -0.457 0.000 0.611 148 A CB -0.140 18.433 19.000 -0.712 0.000 0.832 148 A HN -0.413 7.316 8.150 -0.407 0.177 0.442 149 H N -4.650 114.273 119.070 -0.243 0.000 2.539 149 H HA 0.157 4.551 4.556 -0.269 0.000 0.269 149 H C 0.546 175.339 175.328 -0.892 0.000 0.980 149 H CA -0.502 55.315 56.048 -0.385 0.000 1.152 149 H CB -0.023 29.642 29.762 -0.162 0.000 1.407 149 H HN -0.376 7.334 8.280 -0.951 0.000 0.564 150 G N 0.441 108.860 108.800 -0.635 0.000 2.256 150 G HA2 -0.448 3.223 3.960 -0.481 0.000 0.272 150 G HA3 -0.448 3.184 3.960 -0.546 0.000 0.272 150 G C -1.273 173.226 174.900 -0.667 0.000 1.076 150 G CA 0.486 45.218 45.100 -0.615 0.000 0.882 150 G HN -0.304 7.599 8.290 -0.483 0.097 0.497 151 H N -2.427 116.566 119.070 -0.129 0.000 2.946 151 H HA 0.436 4.859 4.556 -0.221 0.000 0.365 151 H C -1.882 173.375 175.328 -0.118 0.000 1.197 151 H CA -1.739 54.207 56.048 -0.169 0.000 1.131 151 H CB 3.945 33.566 29.762 -0.234 0.000 1.849 151 H HN 0.275 8.263 8.280 -0.310 0.106 0.555 152 V N 0.068 119.994 119.914 0.020 0.000 2.487 152 V HA 0.198 4.452 4.120 -0.169 -0.235 0.298 152 V C -0.826 175.257 176.094 -0.018 0.000 1.028 152 V CA -2.783 59.441 62.300 -0.125 0.000 0.860 152 V CB 1.739 33.440 31.823 -0.202 0.000 0.991 152 V HN 0.265 8.478 8.190 0.037 0.000 0.427 153 H N 6.001 125.111 119.070 0.067 0.000 2.591 153 H HA -0.315 4.276 4.556 0.057 0.000 0.325 153 H C -1.050 174.328 175.328 0.082 0.000 1.096 153 H CA 0.278 56.363 56.048 0.061 0.000 1.108 153 H CB -1.892 27.893 29.762 0.038 0.000 1.590 153 H HN 0.623 9.249 8.280 -0.052 -0.377 0.399 154 G N -4.145 104.795 108.800 0.235 0.000 4.103 154 G HA2 -0.138 3.922 3.960 0.167 0.000 0.123 154 G HA3 -0.138 3.998 3.960 0.293 0.000 0.123 154 G C -1.765 173.277 174.900 0.236 0.000 1.189 154 G CA 0.437 45.673 45.100 0.227 0.000 1.111 154 G HN -0.253 8.175 8.290 0.230 0.000 0.399 155 A N 1.858 124.827 122.820 0.248 0.000 3.941 155 A HA -0.577 3.953 4.320 0.350 0.000 0.355 155 A C 0.245 177.920 177.584 0.152 0.000 1.675 155 A CA 2.561 54.754 52.037 0.259 0.000 0.874 155 A CB -2.185 17.017 19.000 0.335 0.000 1.486 155 A HN 0.165 8.470 8.150 0.258 0.000 0.583 156 H N 0.893 120.014 119.070 0.085 0.000 2.395 156 H HA -0.113 4.446 4.556 0.005 0.000 0.299 156 H C 1.676 177.018 175.328 0.022 0.000 1.070 156 H CA 1.573 57.639 56.048 0.031 0.000 1.356 156 H CB 0.318 30.094 29.762 0.024 0.000 1.401 156 H HN -0.094 8.360 8.280 0.291 0.000 0.524 157 D N -1.270 119.253 120.400 0.206 0.000 2.218 157 D HA -0.261 4.406 4.640 0.044 0.000 0.204 157 D C 0.268 176.584 176.300 0.026 0.000 0.976 157 D CA 1.545 55.593 54.000 0.079 0.000 0.853 157 D CB 0.139 40.970 40.800 0.052 0.000 0.939 157 D HN -0.381 8.043 8.370 0.210 0.071 0.481 158 H N -1.001 118.037 119.070 -0.054 0.000 3.073 158 H HA -0.218 4.287 4.556 -0.086 0.000 0.340 158 H C 0.729 176.001 175.328 -0.092 0.000 1.054 158 H CA 1.144 57.129 56.048 -0.105 0.000 1.372 158 H CB 0.733 30.354 29.762 -0.235 0.000 1.314 158 H HN -0.300 8.091 8.280 0.229 0.026 0.603 159 H N 2.370 121.363 119.070 -0.128 0.000 2.023 159 H HA -0.176 4.231 4.556 -0.247 0.000 0.345 159 H C 0.368 175.646 175.328 -0.083 0.000 2.037 159 H CA 1.227 57.178 56.048 -0.161 0.000 1.367 159 H CB 0.830 30.517 29.762 -0.125 0.000 1.630 159 H HN 0.189 8.423 8.280 -0.077 0.000 0.505 160 H N -2.995 116.256 119.070 0.303 0.000 2.214 160 H HA -0.217 4.384 4.556 0.075 0.000 0.368 160 H C -0.474 174.916 175.328 0.104 0.000 2.080 160 H CA 1.226 57.361 56.048 0.144 0.000 1.389 160 H CB 0.968 30.829 29.762 0.164 0.000 1.590 160 H HN 0.049 8.374 8.280 0.074 0.000 0.516 161 D N -2.292 118.217 120.400 0.180 0.000 2.634 161 D HA 0.041 4.794 4.640 0.188 0.000 0.236 161 D C -1.215 175.172 176.300 0.145 0.000 1.323 161 D CA -0.130 53.958 54.000 0.147 0.000 0.884 161 D CB 0.539 41.398 40.800 0.097 0.000 1.496 161 D HN 0.615 9.567 8.370 0.107 -0.518 0.525 162 H N -0.635 118.420 119.070 -0.025 0.000 2.750 162 H HA -0.254 4.285 4.556 -0.028 0.000 0.327 162 H C -1.381 173.860 175.328 -0.145 0.000 1.199 162 H CA 0.938 56.953 56.048 -0.055 0.000 1.149 162 H CB -0.487 29.268 29.762 -0.013 0.000 1.543 162 H HN 0.085 8.467 8.280 0.171 0.000 0.427 163 D N -2.217 117.972 120.400 -0.351 0.000 2.489 163 D HA 0.014 4.541 4.640 -0.188 0.000 0.231 163 D C 0.041 176.103 176.300 -0.397 0.000 1.114 163 D CA 0.475 54.253 54.000 -0.371 0.000 0.842 163 D CB 0.716 41.246 40.800 -0.449 0.000 1.133 163 D HN -0.031 8.007 8.370 -0.552 0.000 0.506 164 H N 1.733 120.729 119.070 -0.123 0.000 2.603 164 H HA 0.165 4.655 4.556 -0.111 0.000 0.370 164 H C -0.863 174.399 175.328 -0.111 0.000 1.225 164 H CA -0.155 55.824 56.048 -0.115 0.000 1.410 164 H CB 0.911 30.612 29.762 -0.101 0.000 1.495 164 H HN -0.166 7.644 8.280 -0.784 0.000 0.602 165 D N -3.238 117.191 120.400 0.048 0.000 2.713 165 D HA 0.016 4.641 4.640 -0.025 0.000 0.306 165 D C 0.078 176.375 176.300 -0.004 0.000 1.299 165 D CA -0.441 53.556 54.000 -0.005 0.000 0.823 165 D CB 1.791 42.580 40.800 -0.018 0.000 1.353 165 D HN -0.182 8.233 8.370 0.075 0.000 0.447 166 G N 0.306 109.098 108.800 -0.013 0.000 2.258 166 G HA2 -0.289 3.659 3.960 -0.020 0.000 0.233 166 G HA3 -0.289 3.661 3.960 -0.017 0.000 0.233 166 G C -0.828 174.062 174.900 -0.017 0.000 1.006 166 G CA 0.398 45.488 45.100 -0.017 0.000 0.620 166 G HN 0.497 8.778 8.290 -0.015 0.000 0.511 167 C N -0.965 118.326 119.300 -0.015 0.000 2.604 167 C HA 0.237 4.689 4.460 -0.013 0.000 0.396 167 C C 0.392 175.379 174.990 -0.005 0.000 1.282 167 C CA -1.198 57.813 59.018 -0.012 0.000 2.292 167 C CB 0.995 28.727 27.740 -0.013 0.000 2.633 167 C HN -0.483 7.642 8.230 -0.013 0.096 0.620 168 C N 2.598 121.899 119.300 0.003 0.000 3.153 168 C HA 0.094 4.562 4.460 0.013 0.000 0.194 168 C C 0.799 175.796 174.990 0.012 0.000 2.416 168 C CA 0.313 59.339 59.018 0.013 0.000 1.229 168 C CB 0.102 27.857 27.740 0.027 0.000 1.261 168 C HN 0.324 8.556 8.230 0.003 0.000 0.750 169 G N 0.296 109.108 108.800 0.020 0.000 2.308 169 G HA2 -0.234 3.745 3.960 0.031 0.000 0.221 169 G HA3 -0.234 3.733 3.960 0.011 0.000 0.221 169 G C 0.244 175.147 174.900 0.005 0.000 1.032 169 G CA -0.256 44.855 45.100 0.019 0.000 0.623 169 G HN -0.040 8.267 8.290 0.029 0.000 0.506 170 G N -0.192 108.584 108.800 -0.039 0.000 2.510 170 G HA2 0.593 4.360 3.960 -0.321 0.000 0.280 170 G HA3 0.593 4.424 3.960 -0.214 0.000 0.280 170 G C -0.785 174.040 174.900 -0.124 0.000 1.386 170 G CA 0.477 45.453 45.100 -0.206 0.000 1.047 170 G HN 0.661 8.854 8.290 -0.015 0.088 0.527 171 H N -3.875 115.223 119.070 0.047 0.000 3.003 171 H HA 0.135 4.748 4.556 0.094 0.000 0.327 171 H C -0.412 174.937 175.328 0.035 0.000 1.353 171 H CA -0.726 55.359 56.048 0.060 0.000 1.142 171 H CB 0.765 30.554 29.762 0.044 0.000 1.864 171 H HN -0.214 7.597 8.280 -0.781 0.000 0.529 172 G N 1.578 110.533 108.800 0.259 0.000 2.485 172 G HA2 -0.279 3.802 3.960 0.201 0.000 0.181 172 G HA3 -0.279 3.734 3.960 0.089 0.000 0.181 172 G C -0.044 174.909 174.900 0.089 0.000 0.999 172 G CA 0.365 45.560 45.100 0.159 0.000 0.721 172 G HN 0.474 8.928 8.290 0.273 0.000 0.486 173 H N 1.878 121.014 119.070 0.111 0.000 2.267 173 H HA 0.054 4.643 4.556 0.055 0.000 0.302 173 H C -0.134 175.225 175.328 0.052 0.000 1.056 173 H CA 1.616 57.703 56.048 0.066 0.000 1.269 173 H CB 0.434 30.221 29.762 0.042 0.000 1.385 173 H HN 0.108 8.532 8.280 0.239 0.000 0.501 174 D N -2.022 118.498 120.400 0.201 0.000 2.481 174 D HA 0.213 4.819 4.640 -0.057 0.000 0.244 174 D C -0.688 175.662 176.300 0.083 0.000 1.057 174 D CA -0.411 53.616 54.000 0.046 0.000 0.848 174 D CB 0.795 41.613 40.800 0.030 0.000 1.388 174 D HN -0.144 8.373 8.370 0.245 0.000 0.475 175 H N -1.347 117.768 119.070 0.074 0.000 3.046 175 H HA 0.079 4.670 4.556 0.058 0.000 0.361 175 H C -0.211 175.156 175.328 0.066 0.000 1.235 175 H CA -0.371 55.713 56.048 0.059 0.000 1.146 175 H CB 1.475 31.260 29.762 0.038 0.000 1.859 175 H HN 0.126 8.109 8.280 -0.494 0.000 0.548 176 G N 3.648 112.602 108.800 0.258 0.000 2.694 176 G HA2 -0.192 3.858 3.960 0.151 0.000 0.247 176 G HA3 -0.192 3.918 3.960 0.251 0.000 0.247 176 G C -1.378 173.620 174.900 0.162 0.000 0.989 176 G CA 0.096 45.316 45.100 0.200 0.000 1.252 176 G HN 0.393 8.820 8.290 0.228 0.000 0.483 177 H N 0.815 119.923 119.070 0.063 0.000 2.332 177 H HA -0.035 4.537 4.556 0.026 0.000 0.316 177 H C 0.095 175.464 175.328 0.069 0.000 1.069 177 H CA 0.186 56.261 56.048 0.045 0.000 1.484 177 H CB 0.833 30.615 29.762 0.033 0.000 1.496 177 H HN -0.233 8.186 8.280 0.232 0.000 0.623 178 E N -1.678 118.401 120.200 -0.201 0.000 2.815 178 E HA 0.026 4.212 4.350 -0.274 0.000 0.211 178 E C -0.848 175.806 176.600 0.090 0.000 1.004 178 E CA -0.683 55.599 56.400 -0.197 0.000 1.173 178 E CB 0.221 29.794 29.700 -0.213 0.000 1.163 178 E HN 0.265 8.680 8.360 0.092 0.000 0.449 179 H N -2.497 116.553 119.070 -0.034 0.000 4.097 179 H HA -0.387 4.176 4.556 0.012 0.000 0.082 179 H C -0.167 175.169 175.328 0.014 0.000 0.583 179 H CA 1.740 57.786 56.048 -0.002 0.000 1.354 179 H CB -0.624 29.128 29.762 -0.017 0.000 1.388 179 H HN 0.145 8.460 8.280 0.164 0.063 0.867 180 G N -2.695 106.191 108.800 0.144 0.000 3.265 180 G HA2 0.189 4.179 3.960 0.051 0.000 0.171 180 G HA3 0.189 4.187 3.960 0.064 0.000 0.171 180 G C -1.627 173.316 174.900 0.072 0.000 1.110 180 G CA -0.617 44.528 45.100 0.074 0.000 0.855 180 G HN -0.075 8.296 8.290 0.190 0.034 0.658 181 G N -0.418 108.415 108.800 0.055 0.000 2.522 181 G HA2 -0.047 3.944 3.960 0.052 0.000 0.223 181 G HA3 -0.047 3.936 3.960 0.038 0.000 0.223 181 G C -0.243 174.683 174.900 0.044 0.000 1.565 181 G CA -0.411 44.717 45.100 0.047 0.000 1.053 181 G HN -0.008 8.312 8.290 0.050 0.000 0.547 182 E N 0.112 120.331 120.200 0.032 0.000 2.478 182 E HA -0.217 4.147 4.350 0.023 0.000 0.262 182 E C 1.360 177.969 176.600 0.014 0.000 1.243 182 E CA 0.458 56.871 56.400 0.022 0.000 1.039 182 E CB 0.427 30.137 29.700 0.017 0.000 0.983 182 E HN -0.072 8.306 8.360 0.030 0.000 0.479 183 G N -1.367 107.432 108.800 -0.002 0.000 2.499 183 G HA2 -0.245 3.698 3.960 -0.028 0.000 0.221 183 G HA3 -0.245 3.699 3.960 -0.026 0.000 0.221 183 G C -0.867 174.027 174.900 -0.008 0.000 1.109 183 G CA 0.396 45.486 45.100 -0.018 0.000 0.749 183 G HN 0.417 8.705 8.290 -0.002 0.000 0.568 184 C N -3.261 116.041 119.300 0.003 0.000 0.168 184 C HA -0.295 4.171 4.460 0.010 0.000 0.017 184 C C -0.636 174.353 174.990 -0.000 0.000 0.171 184 C CA -1.036 57.986 59.018 0.007 0.000 0.499 184 C CB 1.480 29.230 27.740 0.018 0.000 3.212 184 C HN -0.341 7.839 8.230 0.005 0.054 1.118 185 C N 5.531 124.832 119.300 0.002 0.000 2.192 185 C HA 0.067 4.524 4.460 -0.006 0.000 0.337 185 C C -0.314 174.675 174.990 -0.000 0.000 1.103 185 C CA 0.240 59.257 59.018 -0.002 0.000 1.581 185 C CB -1.061 26.679 27.740 -0.000 0.000 2.070 185 C HN 0.206 8.440 8.230 0.006 0.000 0.485 186 G N 3.901 112.697 108.800 -0.005 0.000 2.607 186 G HA2 0.096 4.057 3.960 0.001 0.000 0.162 186 G HA3 0.096 4.056 3.960 0.000 0.000 0.162 186 G C -0.858 174.037 174.900 -0.009 0.000 1.583 186 G CA 0.160 45.258 45.100 -0.003 0.000 0.779 186 G HN 0.077 8.361 8.290 -0.011 0.000 0.747 187 G N 0.862 109.651 108.800 -0.017 0.000 2.634 187 G HA2 -0.313 3.630 3.960 -0.029 0.000 0.309 187 G HA3 -0.313 3.635 3.960 -0.021 0.000 0.309 187 G C -0.771 174.121 174.900 -0.013 0.000 1.265 187 G CA -0.080 45.007 45.100 -0.021 0.000 0.998 187 G HN -0.197 8.080 8.290 -0.021 0.000 0.551 188 K N 0.605 120.998 120.400 -0.012 0.000 2.433 188 K HA 0.187 4.503 4.320 -0.005 0.000 0.252 188 K C -1.203 175.392 176.600 -0.008 0.000 1.015 188 K CA -0.887 55.395 56.287 -0.008 0.000 0.860 188 K CB 1.213 33.708 32.500 -0.009 0.000 1.359 188 K HN -0.081 8.161 8.250 -0.014 0.000 0.452 189 G N -0.081 108.715 108.800 -0.006 0.000 4.154 189 G HA2 -0.165 3.791 3.960 -0.008 0.000 0.228 189 G HA3 -0.165 3.790 3.960 -0.009 0.000 0.228 189 G C -1.148 173.748 174.900 -0.007 0.000 2.157 189 G CA -0.374 44.721 45.100 -0.008 0.000 1.088 189 G HN 0.224 8.511 8.290 -0.005 0.000 0.506 190 N N -0.049 118.648 118.700 -0.005 0.000 2.204 190 N HA -0.300 4.438 4.740 -0.003 0.000 0.232 190 N C 1.702 177.208 175.510 -0.006 0.000 1.340 190 N CA 0.137 53.185 53.050 -0.004 0.000 0.883 190 N CB 0.371 38.858 38.487 -0.001 0.000 1.109 190 N HN -0.158 8.219 8.380 -0.004 0.000 0.470 191 G N -1.993 106.804 108.800 -0.005 0.000 2.956 191 G HA2 -0.217 3.740 3.960 -0.005 0.000 0.210 191 G HA3 -0.217 3.739 3.960 -0.007 0.000 0.210 191 G C -0.687 174.206 174.900 -0.010 0.000 1.316 191 G CA 0.087 45.183 45.100 -0.007 0.000 0.819 191 G HN 0.378 8.666 8.290 -0.003 0.000 0.544 192 G N -0.195 108.596 108.800 -0.014 0.000 3.364 192 G HA2 0.037 3.984 3.960 -0.022 0.000 0.137 192 G HA3 0.037 3.985 3.960 -0.021 0.000 0.137 192 G C -0.469 174.413 174.900 -0.030 0.000 1.298 192 G CA 0.528 45.615 45.100 -0.022 0.000 1.341 192 G HN -0.380 7.840 8.290 -0.014 0.062 0.718 193 C N 1.399 120.681 119.300 -0.029 0.000 4.397 193 C HA -0.163 4.280 4.460 -0.029 0.000 0.291 193 C C 0.289 175.247 174.990 -0.054 0.000 1.408 193 C CA -0.264 58.734 59.018 -0.034 0.000 1.971 193 C CB -1.128 26.595 27.740 -0.027 0.000 1.258 193 C HN 0.162 8.377 8.230 -0.025 0.000 0.795 194 G N -0.329 108.435 108.800 -0.061 0.000 2.675 194 G HA2 -0.237 3.674 3.960 -0.082 0.000 0.196 194 G HA3 -0.237 3.671 3.960 -0.086 0.000 0.196 194 G C -1.026 173.780 174.900 -0.157 0.000 0.679 194 G CA -0.035 45.010 45.100 -0.092 0.000 0.886 194 G HN -0.190 8.048 8.290 -0.048 0.023 0.320 195 C N 1.479 120.670 119.300 -0.182 0.000 3.259 195 C HA 0.241 4.428 4.460 -0.455 0.000 0.328 195 C C -0.391 174.388 174.990 -0.351 0.000 1.425 195 C CA -2.215 56.622 59.018 -0.301 0.000 1.465 195 C CB 1.483 29.154 27.740 -0.115 0.000 1.890 195 C HN -0.012 8.140 8.230 -0.129 0.000 0.450 196 H N 0.000 119.070 119.070 0.001 0.000 2.539 196 H HA 0.000 4.556 4.556 0.000 0.000 0.296 196 H CA 0.000 56.048 56.048 0.000 0.000 1.023 196 H CB 0.000 29.762 29.762 0.001 0.000 1.292 196 H HN 0.000 8.114 8.280 -0.277 0.000 0.496