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 2kfb_1_A DATA FIRST_RESID 1 DATA SEQUENCE QGKITLYEDR GFQGRHYECS SDHTNLQPYL SRCNSARVDS GCWMLYEQPN DATA SEQUENCE YSGLQYFLRR GDYADHQQWM GLSDSVRSCR LIPHSGSHRI RLYEREDYRG DATA SEQUENCE QMIEFTEDCS CLQDRFRFNE IHSLNVLEGS WVLYELSNYR GRQYLLMPGD DATA SEQUENCE YRRYQDWGAT NARVGSLRRV IDFS 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 Q HA 0.000 4.264 4.340 -0.127 0.000 0.214 1 Q C 0.000 176.000 176.000 0.000 0.000 1.003 1 Q CA 0.000 55.762 55.803 -0.069 0.000 1.022 1 Q CB 0.000 28.723 28.738 -0.024 0.000 1.108 2 G N -1.264 107.563 108.800 0.046 0.000 2.522 2 G HA2 0.338 4.501 3.960 0.263 0.000 0.304 2 G HA3 0.338 4.544 3.960 0.410 0.000 0.304 2 G C -1.917 173.333 174.900 0.584 0.000 1.210 2 G CA -1.175 44.137 45.100 0.353 0.000 0.960 2 G HN 0.190 8.433 8.290 -0.078 0.000 0.497 3 K N 0.060 120.766 120.400 0.510 0.000 2.636 3 K HA 0.464 5.023 4.320 0.087 -0.187 0.286 3 K C -2.024 174.412 176.600 -0.273 0.000 1.100 3 K CA -0.003 56.329 56.287 0.075 0.000 0.991 3 K CB 2.959 35.485 32.500 0.044 0.000 1.323 3 K HN -0.226 8.361 8.250 0.562 0.000 0.478 4 I N 2.404 122.537 120.570 -0.729 0.000 3.023 4 I HA 1.181 5.254 4.170 -0.385 -0.134 0.312 4 I C -2.154 173.673 176.117 -0.484 0.000 1.056 4 I CA -3.346 57.578 61.300 -0.627 0.000 1.033 4 I CB 3.808 41.271 38.000 -0.894 0.000 1.233 4 I HN 0.098 7.672 8.210 -1.061 0.000 0.462 5 T N 3.545 117.935 114.554 -0.274 0.000 2.840 5 T HA 0.488 4.797 4.350 -0.358 -0.173 0.287 5 T C -0.888 173.776 174.700 -0.060 0.000 0.991 5 T CA -0.587 61.389 62.100 -0.206 0.000 0.964 5 T CB 1.286 70.121 68.868 -0.055 0.000 0.954 5 T HN 0.543 8.560 8.240 -0.183 0.113 0.438 6 L N 6.543 127.649 121.223 -0.195 0.000 2.307 6 L HA 0.340 4.943 4.340 0.219 -0.132 0.284 6 L C -1.722 175.107 176.870 -0.067 0.000 1.023 6 L CA -1.062 53.781 54.840 0.005 0.000 0.810 6 L CB 1.685 43.723 42.059 -0.035 0.000 1.231 6 L HN 1.039 9.062 8.230 -0.346 0.000 0.423 7 Y N 1.150 121.572 120.300 0.203 0.000 2.341 7 Y HA 0.404 5.253 4.550 0.219 -0.168 0.338 7 Y C 1.155 177.140 175.900 0.142 0.000 0.965 7 Y CA -1.357 56.861 58.100 0.197 0.000 1.108 7 Y CB 2.021 40.608 38.460 0.212 0.000 1.180 7 Y HN -0.015 8.588 8.280 0.537 0.000 0.458 8 E N 4.584 124.923 120.200 0.230 0.000 2.171 8 E HA -0.372 4.134 4.350 0.133 -0.077 0.197 8 E C -0.834 175.848 176.600 0.135 0.000 0.997 8 E CA 3.113 59.604 56.400 0.152 0.000 0.810 8 E CB 0.448 30.213 29.700 0.109 0.000 0.738 8 E HN 0.632 9.006 8.360 0.204 0.108 0.467 9 D N -3.334 117.163 120.400 0.163 0.000 2.374 9 D HA 0.173 4.842 4.640 0.049 0.000 0.239 9 D C -0.812 175.506 176.300 0.029 0.000 0.991 9 D CA -1.942 52.107 54.000 0.081 0.000 0.960 9 D CB 2.406 43.246 40.800 0.066 0.000 1.284 9 D HN -0.925 7.569 8.370 0.244 0.022 0.512 10 R N -0.033 120.434 120.500 -0.056 0.000 3.064 10 R HA -0.208 3.999 4.340 -0.222 0.000 0.280 10 R C 1.258 177.360 176.300 -0.329 0.000 1.182 10 R CA 0.756 56.741 56.100 -0.191 0.000 1.155 10 R CB 0.071 30.282 30.300 -0.148 0.000 1.112 10 R HN 0.282 8.531 8.270 -0.035 0.000 0.564 11 G N -2.007 106.474 108.800 -0.530 0.000 2.380 11 G HA2 -0.375 3.233 3.960 -0.587 0.000 0.298 11 G HA3 -0.375 3.444 3.960 -0.236 0.000 0.298 11 G C -0.801 173.837 174.900 -0.437 0.000 0.989 11 G CA 0.721 45.526 45.100 -0.492 0.000 0.836 11 G HN -0.154 7.817 8.290 -0.532 0.000 0.511 12 F N -3.439 116.319 119.950 -0.320 0.000 2.572 12 F HA -0.501 3.374 4.527 -1.086 0.000 0.282 12 F C -1.047 174.406 175.800 -0.579 0.000 1.047 12 F CA 1.141 58.604 58.000 -0.895 0.000 1.022 12 F CB -2.561 35.765 39.000 -1.122 0.000 1.226 12 F HN -0.718 6.828 8.300 -1.175 0.049 0.827 13 Q N -0.423 119.358 119.800 -0.032 0.000 3.323 13 Q HA 0.207 4.622 4.340 0.125 0.000 0.329 13 Q C 0.277 176.448 176.000 0.285 0.000 0.939 13 Q CA -1.677 54.202 55.803 0.127 0.000 0.828 13 Q CB 2.922 31.688 28.738 0.046 0.000 1.564 13 Q HN -0.752 7.528 8.270 0.016 0.000 0.463 14 G N -0.740 108.173 108.800 0.188 0.000 2.574 14 G HA2 -0.477 3.561 3.960 0.130 0.000 0.295 14 G HA3 -0.477 3.572 3.960 0.148 0.000 0.295 14 G C -0.758 174.284 174.900 0.235 0.000 1.300 14 G CA 0.176 45.380 45.100 0.174 0.000 0.944 14 G HN 0.216 8.585 8.290 0.133 0.000 0.551 15 R N 0.913 121.514 120.500 0.168 0.000 2.643 15 R HA -0.041 4.372 4.340 0.122 0.000 0.270 15 R C -0.451 175.923 176.300 0.124 0.000 1.061 15 R CA 0.513 56.686 56.100 0.121 0.000 1.107 15 R CB 0.660 30.992 30.300 0.053 0.000 0.999 15 R HN 0.314 8.662 8.270 0.130 0.000 0.460 16 H N -0.771 118.261 119.070 -0.063 0.000 2.895 16 H HA 0.939 5.430 4.556 -0.427 -0.191 0.373 16 H C -2.017 173.212 175.328 -0.164 0.000 1.174 16 H CA -1.579 54.252 56.048 -0.362 0.000 1.144 16 H CB 3.331 32.607 29.762 -0.810 0.000 1.793 16 H HN 0.037 8.216 8.280 -0.168 0.000 0.551 17 Y N 0.705 120.763 120.300 -0.403 0.000 2.513 17 Y HA 0.164 4.447 4.550 -0.445 0.000 0.340 17 Y C -2.675 173.079 175.900 -0.243 0.000 1.055 17 Y CA -1.649 56.241 58.100 -0.350 0.000 1.020 17 Y CB 4.029 42.314 38.460 -0.291 0.000 1.301 17 Y HN 0.775 8.899 8.280 -0.261 0.000 0.453 18 E N 7.346 127.081 120.200 -0.776 0.000 2.145 18 E HA 0.668 4.790 4.350 -0.698 -0.192 0.270 18 E C -1.490 174.433 176.600 -1.128 0.000 0.906 18 E CA -2.120 53.817 56.400 -0.771 0.000 0.761 18 E CB 2.510 32.034 29.700 -0.295 0.000 1.116 18 E HN 0.263 8.482 8.360 -0.235 0.000 0.408 19 C N 6.951 125.650 119.300 -1.000 0.000 2.303 19 C HA 0.308 4.566 4.460 -0.336 0.000 0.326 19 C C -0.629 174.264 174.990 -0.163 0.000 1.285 19 C CA -1.442 57.247 59.018 -0.549 0.000 1.675 19 C CB 1.965 29.445 27.740 -0.434 0.000 2.289 19 C HN -0.079 7.590 8.230 -0.934 0.000 0.512 20 S N 6.852 122.673 115.700 0.201 0.000 2.650 20 S HA 0.337 5.249 4.470 0.504 -0.140 0.240 20 S C -0.702 174.144 174.600 0.409 0.000 1.007 20 S CA -1.121 57.294 58.200 0.359 0.000 0.984 20 S CB 0.544 63.841 63.200 0.161 0.000 0.910 20 S HN 0.483 8.908 8.310 0.191 0.000 0.509 21 S N -0.236 115.762 115.700 0.496 0.000 2.615 21 S HA 0.063 4.590 4.470 0.096 0.000 0.269 21 S C -1.903 172.892 174.600 0.325 0.000 1.161 21 S CA -0.819 57.535 58.200 0.258 0.000 0.817 21 S CB 1.660 64.955 63.200 0.157 0.000 1.131 21 S HN -0.895 7.716 8.310 0.611 0.065 0.467 22 D N 2.967 123.445 120.400 0.130 0.000 2.472 22 D HA -0.142 4.647 4.640 0.247 0.000 0.237 22 D C -0.570 175.876 176.300 0.243 0.000 1.141 22 D CA 1.869 55.982 54.000 0.187 0.000 0.875 22 D CB 0.226 41.059 40.800 0.056 0.000 1.192 22 D HN 0.212 8.598 8.370 0.027 0.000 0.450 23 H N 2.870 122.158 119.070 0.363 0.000 2.851 23 H HA 0.207 4.902 4.556 0.232 0.000 0.372 23 H C -0.336 175.068 175.328 0.127 0.000 1.158 23 H CA -0.004 56.210 56.048 0.276 0.000 1.159 23 H CB 4.631 34.583 29.762 0.316 0.000 1.757 23 H HN 0.763 9.385 8.280 0.572 0.000 0.546 24 T N -1.160 113.446 114.554 0.087 0.000 2.985 24 T HA 0.033 3.977 4.350 -0.676 0.000 0.254 24 T C -1.295 173.344 174.700 -0.102 0.000 1.021 24 T CA -0.181 61.784 62.100 -0.225 0.000 0.957 24 T CB 1.262 70.031 68.868 -0.164 0.000 1.047 24 T HN 0.205 8.521 8.240 0.126 0.000 0.511 25 N N 0.145 118.896 118.700 0.085 0.000 2.572 25 N HA 0.393 5.295 4.740 -0.025 -0.177 0.287 25 N C -2.217 173.318 175.510 0.042 0.000 1.136 25 N CA 0.265 53.329 53.050 0.024 0.000 0.900 25 N CB 1.656 40.126 38.487 -0.029 0.000 1.484 25 N HN -0.563 7.978 8.380 0.268 0.000 0.526 26 L N 2.722 123.939 121.223 -0.009 0.000 2.766 26 L HA 0.267 4.591 4.340 -0.028 0.000 0.242 26 L C 0.658 177.415 176.870 -0.189 0.000 1.136 26 L CA -0.766 54.054 54.840 -0.035 0.000 0.933 26 L CB 0.300 42.429 42.059 0.117 0.000 1.241 26 L HN 0.966 9.077 8.230 -0.001 0.118 0.522 27 Q N 1.235 120.922 119.800 -0.188 0.000 2.077 27 Q HA -0.148 4.323 4.340 -0.099 -0.191 0.206 27 Q C -0.554 175.280 176.000 -0.278 0.000 0.989 27 Q CA 3.862 59.562 55.803 -0.171 0.000 0.853 27 Q CB -2.182 26.479 28.738 -0.128 0.000 0.907 27 Q HN 0.182 8.306 8.270 -0.146 0.058 0.418 28 P HA -0.160 4.075 4.420 -0.309 0.000 0.218 28 P C -0.635 176.376 177.300 -0.482 0.000 1.148 28 P CA 2.197 64.969 63.100 -0.547 0.000 0.822 28 P CB -0.138 31.093 31.700 -0.782 0.000 0.784 29 Y N -4.912 115.293 120.300 -0.159 0.000 2.266 29 Y HA -0.075 4.357 4.550 -0.198 0.000 0.294 29 Y C 0.368 176.207 175.900 -0.102 0.000 1.127 29 Y CA 0.924 58.902 58.100 -0.203 0.000 1.140 29 Y CB 0.915 39.122 38.460 -0.421 0.000 1.071 29 Y HN -0.779 6.756 8.280 -1.038 0.122 0.525 30 L N -2.689 118.566 121.223 0.054 0.000 2.333 30 L HA 0.345 4.722 4.340 0.062 0.000 0.280 30 L C -0.418 176.462 176.870 0.016 0.000 1.004 30 L CA -1.054 53.822 54.840 0.060 0.000 0.820 30 L CB 1.608 43.733 42.059 0.110 0.000 1.247 30 L HN 0.605 8.727 8.230 0.013 0.117 0.416 31 S N 1.071 116.781 115.700 0.018 0.000 2.535 31 S HA -0.026 4.436 4.470 -0.013 0.000 0.214 31 S C 0.301 174.912 174.600 0.019 0.000 0.980 31 S CA 1.507 59.710 58.200 0.004 0.000 0.907 31 S CB -0.016 63.183 63.200 -0.000 0.000 0.790 31 S HN 0.687 9.015 8.310 0.031 0.000 0.510 32 R N -2.092 118.432 120.500 0.039 0.000 5.102 32 R HA 0.070 4.426 4.340 0.026 0.000 0.103 32 R C -1.177 175.171 176.300 0.080 0.000 0.765 32 R CA 0.244 56.366 56.100 0.038 0.000 0.959 32 R CB 1.286 31.596 30.300 0.017 0.000 1.436 32 R HN -0.254 7.996 8.270 0.053 0.052 0.396 33 C N 0.494 119.864 119.300 0.116 0.000 4.151 33 C HA -0.263 4.563 4.460 0.216 -0.236 0.319 33 C C -0.973 174.192 174.990 0.292 0.000 1.089 33 C CA 0.447 59.587 59.018 0.204 0.000 2.369 33 C CB -0.856 26.992 27.740 0.181 0.000 1.327 33 C HN 0.094 8.386 8.230 0.104 0.000 0.622 34 N N -0.212 118.599 118.700 0.186 0.000 2.336 34 N HA 0.060 4.807 4.740 0.011 0.000 0.189 34 N C -1.044 174.536 175.510 0.116 0.000 1.113 34 N CA 0.824 53.933 53.050 0.097 0.000 0.858 34 N CB 1.124 39.604 38.487 -0.011 0.000 0.970 34 N HN -0.247 8.224 8.380 0.150 0.000 0.471 35 S N -3.078 112.794 115.700 0.287 0.000 2.565 35 S HA 0.215 4.823 4.470 0.179 -0.031 0.269 35 S C -2.624 172.344 174.600 0.614 0.000 1.153 35 S CA -0.685 57.662 58.200 0.245 0.000 0.835 35 S CB 2.416 65.422 63.200 -0.324 0.000 1.122 35 S HN -0.860 7.605 8.310 0.381 0.074 0.462 36 A N -1.624 121.656 122.820 0.768 0.000 2.604 36 A HA 0.751 5.603 4.320 0.579 -0.186 0.295 36 A C -2.421 175.537 177.584 0.623 0.000 1.067 36 A CA -0.281 52.155 52.037 0.664 0.000 0.683 36 A CB 3.871 23.151 19.000 0.466 0.000 1.281 36 A HN 0.966 9.449 8.150 0.745 0.114 0.407 37 R N 0.285 120.968 120.500 0.305 0.000 2.502 37 R HA 0.586 5.041 4.340 -0.023 -0.129 0.300 37 R C -1.429 174.833 176.300 -0.065 0.000 0.984 37 R CA -0.771 55.350 56.100 0.036 0.000 0.882 37 R CB 3.814 34.039 30.300 -0.124 0.000 1.180 37 R HN 0.398 8.809 8.270 0.235 0.000 0.444 38 V N 6.523 126.388 119.914 -0.082 0.000 2.328 38 V HA 0.129 4.145 4.120 -0.173 0.000 0.278 38 V C -1.314 174.737 176.094 -0.072 0.000 1.021 38 V CA -0.416 61.836 62.300 -0.081 0.000 0.838 38 V CB 0.924 32.773 31.823 0.043 0.000 0.999 38 V HN 0.898 9.015 8.190 -0.122 0.000 0.447 39 D N 7.162 127.518 120.400 -0.073 0.000 2.123 39 D HA -0.005 4.593 4.640 -0.069 0.000 0.200 39 D C -0.454 175.845 176.300 -0.002 0.000 0.976 39 D CA 2.857 56.827 54.000 -0.050 0.000 0.831 39 D CB 1.062 41.830 40.800 -0.053 0.000 0.974 39 D HN 0.039 8.345 8.370 -0.106 0.000 0.469 40 S N -7.018 108.712 115.700 0.050 0.000 2.587 40 S HA 0.138 4.638 4.470 0.051 0.000 0.269 40 S C -1.331 173.362 174.600 0.155 0.000 1.154 40 S CA -0.385 57.857 58.200 0.071 0.000 0.824 40 S CB 2.366 65.589 63.200 0.039 0.000 1.118 40 S HN -0.914 7.438 8.310 0.070 0.000 0.462 41 G N 0.100 108.953 108.800 0.089 0.000 2.781 41 G HA2 -0.414 3.659 3.960 -0.035 0.000 0.683 41 G HA3 -0.414 3.595 3.960 0.082 0.000 0.683 41 G C -1.656 173.312 174.900 0.113 0.000 1.390 41 G CA -0.256 44.880 45.100 0.060 0.000 0.850 41 G HN -0.405 7.910 8.290 0.041 0.000 0.557 42 C N 0.291 119.579 119.300 -0.020 0.000 2.298 42 C HA 0.308 4.867 4.460 -0.017 -0.109 0.323 42 C C -1.038 173.865 174.990 -0.144 0.000 1.284 42 C CA -0.062 58.936 59.018 -0.033 0.000 1.577 42 C CB 1.186 28.968 27.740 0.071 0.000 2.249 42 C HN -0.187 8.146 8.230 -0.115 -0.172 0.497 43 W N 4.035 125.240 121.300 -0.158 0.000 2.706 43 W HA 0.396 5.161 4.660 -0.010 -0.111 0.346 43 W C -1.671 174.788 176.519 -0.099 0.000 1.071 43 W CA -1.391 55.906 57.345 -0.079 0.000 1.206 43 W CB 3.620 33.041 29.460 -0.066 0.000 1.413 43 W HN 0.310 8.573 8.180 0.139 0.000 0.542 44 M N 0.617 120.366 119.600 0.249 0.000 2.326 44 M HA 0.891 5.667 4.480 0.079 -0.249 0.306 44 M C -2.268 174.185 176.300 0.256 0.000 1.054 44 M CA -1.263 54.148 55.300 0.184 0.000 0.922 44 M CB 4.256 36.989 32.600 0.222 0.000 1.632 44 M HN 0.770 9.242 8.290 0.304 0.000 0.436 45 L N 4.659 125.928 121.223 0.077 0.000 2.307 45 L HA 0.389 5.008 4.340 0.287 -0.107 0.284 45 L C -1.431 175.486 176.870 0.079 0.000 1.023 45 L CA -1.157 53.769 54.840 0.144 0.000 0.810 45 L CB 1.960 43.958 42.059 -0.101 0.000 1.231 45 L HN 0.256 8.473 8.230 -0.022 0.000 0.423 46 Y N 2.301 122.700 120.300 0.166 0.000 2.352 46 Y HA 0.536 5.323 4.550 0.007 -0.233 0.339 46 Y C 1.365 177.358 175.900 0.155 0.000 0.992 46 Y CA -1.757 56.411 58.100 0.114 0.000 1.100 46 Y CB 2.048 40.590 38.460 0.137 0.000 1.192 46 Y HN 0.414 9.007 8.280 0.522 0.000 0.458 47 E N 2.652 123.015 120.200 0.273 0.000 2.110 47 E HA -0.323 4.230 4.350 0.337 0.000 0.193 47 E C 0.389 177.105 176.600 0.194 0.000 0.988 47 E CA 2.726 59.295 56.400 0.282 0.000 0.804 47 E CB 0.192 30.053 29.700 0.269 0.000 0.745 47 E HN 0.108 8.539 8.360 0.117 0.000 0.458 48 Q N -2.140 117.772 119.800 0.185 0.000 2.257 48 Q HA 0.390 4.783 4.340 0.087 0.000 0.262 48 Q C -1.781 174.251 176.000 0.054 0.000 0.997 48 Q CA -2.731 53.139 55.803 0.112 0.000 0.873 48 Q CB 1.435 30.237 28.738 0.106 0.000 1.312 48 Q HN -0.073 8.324 8.270 0.234 0.013 0.450 49 P HA -0.239 4.162 4.420 -0.143 -0.067 0.272 49 P C -0.577 176.593 177.300 -0.216 0.000 1.223 49 P CA 0.111 63.142 63.100 -0.116 0.000 0.784 49 P CB 0.396 32.050 31.700 -0.077 0.000 0.923 50 N N -2.174 116.253 118.700 -0.454 0.000 2.747 50 N HA -0.460 3.789 4.740 -0.817 0.000 0.249 50 N C -1.188 174.037 175.510 -0.476 0.000 1.107 50 N CA 1.180 53.904 53.050 -0.543 0.000 0.707 50 N CB -0.957 37.432 38.487 -0.164 0.000 1.054 50 N HN 0.094 8.071 8.380 -0.496 0.105 0.555 51 Y N -8.786 111.355 120.300 -0.266 0.000 2.983 51 Y HA -0.358 3.766 4.550 -0.709 0.000 0.185 51 Y C -0.798 174.995 175.900 -0.178 0.000 1.476 51 Y CA 0.638 58.344 58.100 -0.658 0.000 0.866 51 Y CB -3.797 33.918 38.460 -1.242 0.000 1.331 51 Y HN -0.659 6.979 8.280 -1.028 0.025 0.403 52 S N -0.959 114.797 115.700 0.093 0.000 2.749 52 S HA 0.097 4.643 4.470 0.126 0.000 0.246 52 S C -0.572 174.130 174.600 0.169 0.000 1.023 52 S CA 0.036 58.308 58.200 0.119 0.000 1.012 52 S CB 1.586 64.817 63.200 0.051 0.000 0.942 52 S HN -0.334 8.018 8.310 0.070 0.000 0.531 53 G N 0.099 109.063 108.800 0.273 0.000 3.085 53 G HA2 0.230 4.286 3.960 0.160 0.000 0.264 53 G HA3 0.230 4.354 3.960 0.179 -0.057 0.264 53 G C -2.556 172.455 174.900 0.185 0.000 1.206 53 G CA -0.435 44.788 45.100 0.206 0.000 0.809 53 G HN -0.649 7.840 8.290 0.428 0.058 0.592 54 L N 0.457 121.713 121.223 0.054 0.000 2.483 54 L HA 0.064 4.377 4.340 -0.045 0.000 0.275 54 L C -1.027 175.513 176.870 -0.549 0.000 1.220 54 L CA 0.250 55.003 54.840 -0.145 0.000 0.833 54 L CB 1.411 43.400 42.059 -0.117 0.000 1.102 54 L HN 0.282 9.038 8.230 0.089 -0.473 0.490 55 Q N -0.047 119.289 119.800 -0.773 0.000 2.377 55 Q HA 0.762 4.494 4.340 -1.365 -0.212 0.271 55 Q C -1.172 174.208 176.000 -1.034 0.000 1.077 55 Q CA -2.275 52.857 55.803 -1.119 0.000 0.820 55 Q CB 3.571 31.740 28.738 -0.947 0.000 1.347 55 Q HN 0.105 8.080 8.270 -0.491 0.000 0.444 56 Y N -1.663 118.498 120.300 -0.231 0.000 2.338 56 Y HA 0.211 4.958 4.550 0.005 -0.195 0.333 56 Y C -1.136 174.738 175.900 -0.044 0.000 0.968 56 Y CA -2.060 55.990 58.100 -0.083 0.000 1.123 56 Y CB 2.225 40.611 38.460 -0.123 0.000 1.165 56 Y HN 0.395 8.338 8.280 -0.562 0.000 0.452 57 F N 5.558 125.535 119.950 0.045 0.000 2.445 57 F HA 0.124 4.665 4.527 0.023 0.000 0.359 57 F C -2.026 173.826 175.800 0.086 0.000 1.101 57 F CA -0.201 57.826 58.000 0.045 0.000 1.177 57 F CB 1.059 40.086 39.000 0.044 0.000 1.110 57 F HN 0.667 9.612 8.300 0.324 -0.451 0.522 58 L N 6.729 127.568 121.223 -0.641 0.000 2.342 58 L HA 0.311 4.472 4.340 -0.298 0.000 0.271 58 L C -1.659 174.868 176.870 -0.572 0.000 1.008 58 L CA -1.137 53.452 54.840 -0.418 0.000 0.818 58 L CB 3.441 45.426 42.059 -0.123 0.000 1.296 58 L HN 0.779 8.634 8.230 -0.624 0.000 0.427 59 R N -1.513 118.898 120.500 -0.149 0.000 2.836 59 R HA 0.503 4.775 4.340 -0.114 0.000 0.269 59 R C -0.782 175.589 176.300 0.119 0.000 1.010 59 R CA -2.455 53.613 56.100 -0.054 0.000 0.930 59 R CB 2.714 33.008 30.300 -0.010 0.000 1.218 59 R HN -0.196 8.145 8.270 0.118 0.000 0.473 60 R N 3.095 123.640 120.500 0.075 0.000 2.504 60 R HA -0.499 4.015 4.340 0.033 -0.154 0.302 60 R C -0.251 176.036 176.300 -0.021 0.000 0.893 60 R CA 1.562 57.683 56.100 0.035 0.000 1.138 60 R CB -0.609 29.709 30.300 0.029 0.000 0.880 60 R HN 0.432 8.742 8.270 0.067 0.000 0.415 61 G N 6.026 114.743 108.800 -0.138 0.000 2.341 61 G HA2 -0.084 3.747 3.960 -0.216 0.000 0.293 61 G HA3 -0.084 3.670 3.960 -0.344 0.000 0.293 61 G C -3.438 171.129 174.900 -0.554 0.000 1.298 61 G CA -0.418 44.494 45.100 -0.313 0.000 0.868 61 G HN 0.264 8.373 8.290 -0.120 0.108 0.540 62 D N 0.302 120.335 120.400 -0.610 0.000 2.375 62 D HA 0.441 4.853 4.640 -0.380 0.000 0.247 62 D C -1.066 174.958 176.300 -0.460 0.000 1.061 62 D CA -0.346 53.380 54.000 -0.456 0.000 0.834 62 D CB 2.004 42.644 40.800 -0.268 0.000 1.247 62 D HN 0.011 8.091 8.370 -0.484 0.000 0.489 63 Y N 1.586 122.129 120.300 0.404 0.000 2.332 63 Y HA 0.160 4.806 4.550 0.160 0.000 0.326 63 Y C -0.735 175.262 175.900 0.162 0.000 0.978 63 Y CA -1.306 56.965 58.100 0.286 0.000 1.205 63 Y CB 1.372 40.026 38.460 0.324 0.000 1.131 63 Y HN 0.928 9.387 8.280 0.298 0.000 0.462 64 A N 1.890 124.714 122.820 0.007 0.000 2.275 64 A HA 0.017 3.364 4.320 -1.620 0.000 0.212 64 A C -2.109 175.231 177.584 -0.407 0.000 1.201 64 A CA 0.108 51.779 52.037 -0.609 0.000 0.843 64 A CB 1.067 19.846 19.000 -0.367 0.000 0.873 64 A HN 0.601 8.818 8.150 0.111 0.000 0.492 65 D N -4.993 115.233 120.400 -0.291 0.000 2.753 65 D HA 0.651 5.289 4.640 -0.248 -0.147 0.224 65 D C 0.912 176.756 176.300 -0.761 0.000 1.213 65 D CA -1.270 52.499 54.000 -0.385 0.000 0.833 65 D CB 4.303 44.872 40.800 -0.385 0.000 1.607 65 D HN -0.834 7.359 8.370 -0.186 0.065 0.463 66 H N 2.170 120.635 119.070 -1.008 0.000 2.326 66 H HA -0.332 1.722 4.556 -4.170 0.000 0.301 66 H C 1.218 175.598 175.328 -1.580 0.000 1.081 66 H CA 2.699 57.528 56.048 -2.032 0.000 1.334 66 H CB -0.692 28.467 29.762 -1.007 0.000 1.385 66 H HN 0.102 8.367 8.280 -0.025 0.000 0.504 67 Q N -1.934 117.013 119.800 -1.422 0.000 2.528 67 Q HA -0.317 3.799 4.340 -0.607 -0.140 0.217 67 Q C 1.442 177.094 176.000 -0.579 0.000 0.988 67 Q CA 2.488 57.803 55.803 -0.813 0.000 0.900 67 Q CB -1.801 26.537 28.738 -0.665 0.000 0.947 67 Q HN 0.396 7.325 8.270 -2.234 0.000 0.502 68 Q N -2.279 117.125 119.800 -0.660 0.000 2.163 68 Q HA -0.148 4.059 4.340 -0.222 0.000 0.198 68 Q C 1.324 177.140 176.000 -0.306 0.000 0.954 68 Q CA 1.729 57.325 55.803 -0.343 0.000 0.851 68 Q CB 0.121 28.772 28.738 -0.145 0.000 0.928 68 Q HN -0.625 6.885 8.270 -0.902 0.218 0.459 69 W N -4.041 117.044 121.300 -0.359 0.000 3.438 69 W HA 0.160 4.527 4.660 -0.487 0.000 0.322 69 W C -1.326 175.105 176.519 -0.146 0.000 1.261 69 W CA -1.781 55.321 57.345 -0.405 0.000 1.788 69 W CB -1.017 28.146 29.460 -0.495 0.000 1.065 69 W HN -0.208 7.267 8.180 -1.013 0.097 0.715 70 M N -7.231 112.390 119.600 0.035 0.000 3.011 70 M HA -0.432 4.084 4.480 0.060 0.000 0.216 70 M C -0.065 176.337 176.300 0.170 0.000 0.564 70 M CA 0.944 56.335 55.300 0.151 0.000 0.816 70 M CB -2.105 30.677 32.600 0.302 0.000 2.914 70 M HN -0.801 7.273 8.290 -0.173 0.113 0.348 71 G N -1.009 107.691 108.800 -0.167 0.000 2.472 71 G HA2 -0.162 3.219 3.960 -0.965 0.000 0.291 71 G HA3 -0.162 3.579 3.960 -0.366 0.000 0.291 71 G C 0.050 174.922 174.900 -0.046 0.000 0.898 71 G CA 0.341 45.242 45.100 -0.332 0.000 1.645 71 G HN -0.361 7.572 8.290 -0.537 0.035 0.459 72 L N 4.242 125.587 121.223 0.204 0.000 2.141 72 L HA -0.203 4.215 4.340 0.130 0.000 0.209 72 L C 0.533 177.518 176.870 0.191 0.000 1.094 72 L CA 1.358 56.327 54.840 0.215 0.000 0.763 72 L CB 0.120 42.351 42.059 0.287 0.000 0.908 72 L HN -0.314 8.213 8.230 0.495 0.000 0.437 73 S N -2.840 113.007 115.700 0.244 0.000 2.614 73 S HA 0.136 4.691 4.470 0.141 0.000 0.288 73 S C -1.454 173.235 174.600 0.148 0.000 1.137 73 S CA -1.549 56.767 58.200 0.193 0.000 0.992 73 S CB 1.969 65.302 63.200 0.222 0.000 1.026 73 S HN -0.691 7.800 8.310 0.331 0.018 0.486 74 D N 4.064 124.493 120.400 0.049 0.000 2.232 74 D HA -0.119 4.432 4.640 -0.148 0.000 0.242 74 D C 0.176 176.498 176.300 0.038 0.000 1.330 74 D CA 0.548 54.501 54.000 -0.078 0.000 0.954 74 D CB 0.565 41.236 40.800 -0.215 0.000 1.202 74 D HN 0.138 8.536 8.370 0.047 0.000 0.530 75 S N -0.901 114.810 115.700 0.018 0.000 4.134 75 S HA -0.398 4.095 4.470 0.039 0.000 0.627 75 S C -1.702 172.968 174.600 0.117 0.000 1.892 75 S CA 1.086 59.327 58.200 0.068 0.000 4.160 75 S CB 0.042 63.295 63.200 0.088 0.000 0.210 75 S HN 0.140 8.421 8.310 -0.048 0.000 0.516 76 V N -0.287 119.720 119.914 0.155 0.000 3.207 76 V HA -0.291 4.188 4.120 0.221 -0.226 0.455 76 V C -1.073 175.091 176.094 0.117 0.000 0.682 76 V CA 0.664 63.066 62.300 0.170 0.000 1.985 76 V CB -0.591 31.323 31.823 0.151 0.000 2.454 76 V HN -0.157 8.128 8.190 0.157 0.000 0.494 77 R N 1.405 121.968 120.500 0.106 0.000 2.508 77 R HA 0.347 4.714 4.340 0.045 0.000 0.300 77 R C -0.839 175.490 176.300 0.049 0.000 0.970 77 R CA -0.642 55.491 56.100 0.055 0.000 1.102 77 R CB 1.893 32.207 30.300 0.024 0.000 1.246 77 R HN -0.209 8.140 8.270 0.131 0.000 0.539 78 S N -2.690 113.067 115.700 0.095 0.000 2.587 78 S HA 0.602 5.147 4.470 0.124 0.000 0.269 78 S C -2.256 172.488 174.600 0.241 0.000 1.154 78 S CA -0.496 57.755 58.200 0.086 0.000 0.824 78 S CB 3.178 66.271 63.200 -0.179 0.000 1.118 78 S HN -0.508 7.827 8.310 0.141 0.059 0.462 79 C N -1.523 117.989 119.300 0.354 0.000 3.171 79 C HA 0.780 5.712 4.460 0.580 -0.124 0.336 79 C C -2.352 173.034 174.990 0.660 0.000 1.198 79 C CA -1.308 58.020 59.018 0.518 0.000 1.319 79 C CB 4.069 32.050 27.740 0.401 0.000 1.682 79 C HN 0.337 8.767 8.230 0.333 0.000 0.497 80 R N 0.686 121.536 120.500 0.583 0.000 2.807 80 R HA 0.278 4.863 4.340 0.289 -0.072 0.276 80 R C -3.006 173.282 176.300 -0.020 0.000 0.979 80 R CA -1.634 54.629 56.100 0.272 0.000 0.928 80 R CB 3.742 34.020 30.300 -0.036 0.000 1.191 80 R HN 1.026 9.651 8.270 0.590 0.000 0.471 81 L N 2.909 123.887 121.223 -0.409 0.000 2.275 81 L HA 0.248 3.755 4.340 -1.390 0.000 0.288 81 L C -0.790 175.776 176.870 -0.507 0.000 1.046 81 L CA -0.621 53.640 54.840 -0.965 0.000 0.805 81 L CB 1.850 43.157 42.059 -1.253 0.000 1.193 81 L HN 0.574 9.099 8.230 -0.274 -0.459 0.426 82 I N 6.746 127.068 120.570 -0.415 0.000 2.363 82 I HA 0.160 4.252 4.170 -0.131 0.000 0.292 82 I C -1.722 174.250 176.117 -0.242 0.000 1.075 82 I CA -1.853 59.335 61.300 -0.188 0.000 1.333 82 I CB -0.951 37.046 38.000 -0.004 0.000 1.415 82 I HN 0.355 8.251 8.210 -0.523 0.000 0.502 83 P HA 0.105 4.270 4.420 -0.425 0.000 0.279 83 P C -1.355 175.639 177.300 -0.510 0.000 1.282 83 P CA -0.814 61.952 63.100 -0.556 0.000 0.788 83 P CB 1.028 32.201 31.700 -0.879 0.000 1.139 84 H N -5.788 113.249 119.070 -0.054 0.000 4.628 84 H HA -0.178 4.363 4.556 -0.025 0.000 0.289 84 H C -0.657 174.664 175.328 -0.012 0.000 0.627 84 H CA 0.525 56.557 56.048 -0.026 0.000 0.785 84 H CB -1.077 28.686 29.762 0.001 0.000 1.033 84 H HN 0.327 8.307 8.280 -0.500 0.000 0.319 85 S N 0.123 115.901 115.700 0.130 0.000 2.631 85 S HA 0.111 4.749 4.470 0.280 0.000 0.248 85 S C 0.545 175.315 174.600 0.283 0.000 0.949 85 S CA -0.450 57.886 58.200 0.227 0.000 1.470 85 S CB 2.117 65.367 63.200 0.083 0.000 1.248 85 S HN 0.224 8.613 8.310 0.132 0.000 0.662 86 G N 4.390 113.247 108.800 0.095 0.000 2.781 86 G HA2 -0.163 3.885 3.960 0.145 0.000 0.157 86 G HA3 -0.163 3.805 3.960 0.013 0.000 0.157 86 G C -0.483 174.210 174.900 -0.346 0.000 1.823 86 G CA 0.209 45.313 45.100 0.006 0.000 0.932 86 G HN 0.165 8.507 8.290 0.087 0.000 0.398 87 S N 1.115 116.642 115.700 -0.289 0.000 2.603 87 S HA -0.078 4.251 4.470 -0.235 0.000 0.268 87 S C -1.261 173.010 174.600 -0.548 0.000 1.317 87 S CA 0.863 58.878 58.200 -0.308 0.000 1.012 87 S CB 1.080 64.238 63.200 -0.071 0.000 0.926 87 S HN -0.167 8.056 8.310 -0.145 0.000 0.539 88 H N 0.703 119.828 119.070 0.091 0.000 2.866 88 H HA 0.446 5.196 4.556 0.131 -0.116 0.287 88 H C -1.129 174.459 175.328 0.433 0.000 1.106 88 H CA -0.822 55.302 56.048 0.126 0.000 1.396 88 H CB 0.669 30.331 29.762 -0.167 0.000 1.469 88 H HN 0.210 8.554 8.280 0.107 0.000 0.500 89 R N 2.991 123.842 120.500 0.585 0.000 2.628 89 R HA 0.775 5.584 4.340 0.518 -0.158 0.288 89 R C -2.154 174.312 176.300 0.276 0.000 0.980 89 R CA -1.341 55.029 56.100 0.450 0.000 0.891 89 R CB 3.755 34.179 30.300 0.207 0.000 1.188 89 R HN 0.129 8.681 8.270 0.470 0.000 0.450 90 I N 1.727 122.230 120.570 -0.112 0.000 2.752 90 I HA 0.742 4.951 4.170 -0.247 -0.187 0.295 90 I C -2.864 173.060 176.117 -0.321 0.000 1.219 90 I CA -1.870 59.154 61.300 -0.460 0.000 1.030 90 I CB 4.849 41.971 38.000 -1.463 0.000 1.259 90 I HN 0.347 8.523 8.210 -0.058 0.000 0.423 91 R N 7.045 127.428 120.500 -0.195 0.000 2.312 91 R HA 0.453 4.770 4.340 -0.291 -0.152 0.310 91 R C -0.536 175.666 176.300 -0.164 0.000 1.064 91 R CA -1.747 54.237 56.100 -0.194 0.000 0.983 91 R CB 0.907 31.166 30.300 -0.070 0.000 1.139 91 R HN 0.673 8.754 8.270 -0.130 0.111 0.536 92 L N 4.138 125.194 121.223 -0.278 0.000 2.380 92 L HA 0.012 4.345 4.340 -0.012 0.000 0.273 92 L C -1.304 175.351 176.870 -0.359 0.000 1.138 92 L CA 0.118 54.835 54.840 -0.205 0.000 0.832 92 L CB 0.524 42.436 42.059 -0.245 0.000 1.124 92 L HN 0.074 8.124 8.230 -0.300 0.000 0.454 93 Y N 1.402 121.669 120.300 -0.055 0.000 2.393 93 Y HA 0.313 4.971 4.550 -0.034 -0.128 0.341 93 Y C 0.278 176.198 175.900 0.034 0.000 0.988 93 Y CA -0.903 57.195 58.100 -0.003 0.000 1.078 93 Y CB 2.835 41.340 38.460 0.075 0.000 1.203 93 Y HN 0.859 9.207 8.280 0.284 0.102 0.453 94 E N 2.628 122.899 120.200 0.118 0.000 2.005 94 E HA -0.263 4.099 4.350 0.021 0.000 0.198 94 E C 1.023 177.607 176.600 -0.027 0.000 1.010 94 E CA 2.722 59.079 56.400 -0.071 0.000 0.825 94 E CB 0.718 30.097 29.700 -0.534 0.000 0.769 94 E HN 0.282 8.703 8.360 0.101 0.000 0.456 95 R N -2.632 117.842 120.500 -0.044 0.000 2.607 95 R HA 0.168 4.414 4.340 -0.158 0.000 0.261 95 R C 0.253 176.566 176.300 0.021 0.000 1.051 95 R CA -1.017 55.041 56.100 -0.069 0.000 1.110 95 R CB 1.583 31.814 30.300 -0.115 0.000 1.158 95 R HN -0.204 8.047 8.270 -0.031 0.000 0.543 96 E N -0.591 119.614 120.200 0.007 0.000 2.447 96 E HA -0.309 4.347 4.350 0.048 -0.277 0.259 96 E C 0.143 176.617 176.600 -0.210 0.000 1.196 96 E CA 1.333 57.721 56.400 -0.021 0.000 0.995 96 E CB 0.611 30.308 29.700 -0.005 0.000 0.974 96 E HN 0.284 8.634 8.360 -0.016 0.000 0.465 97 D N -0.695 119.522 120.400 -0.306 0.000 2.708 97 D HA -0.393 3.894 4.640 -0.588 0.000 0.236 97 D C -1.288 174.070 176.300 -1.569 0.000 1.146 97 D CA 1.381 54.908 54.000 -0.788 0.000 0.662 97 D CB -1.837 38.549 40.800 -0.691 0.000 1.059 97 D HN 0.215 8.486 8.370 -0.165 0.000 0.428 98 Y N -12.277 107.830 120.300 -0.321 0.000 3.225 98 Y HA -0.557 3.374 4.550 -1.032 0.000 0.211 98 Y C -1.816 173.925 175.900 -0.266 0.000 1.223 98 Y CA 0.477 58.081 58.100 -0.827 0.000 1.284 98 Y CB -2.803 34.874 38.460 -1.306 0.000 1.367 98 Y HN 0.048 8.133 8.280 -0.305 0.013 0.566 99 R N 1.064 121.478 120.500 -0.143 0.000 2.720 99 R HA 0.194 4.560 4.340 0.044 0.000 0.272 99 R C -0.300 176.049 176.300 0.083 0.000 0.991 99 R CA -1.154 54.932 56.100 -0.025 0.000 1.010 99 R CB 2.835 33.050 30.300 -0.142 0.000 1.141 99 R HN -0.624 7.431 8.270 -0.185 0.104 0.494 100 G N 1.031 109.874 108.800 0.071 0.000 2.660 100 G HA2 -0.393 3.579 3.960 0.020 0.000 0.215 100 G HA3 -0.393 3.538 3.960 -0.048 0.000 0.215 100 G C -1.422 173.526 174.900 0.080 0.000 1.345 100 G CA -0.722 44.395 45.100 0.028 0.000 0.877 100 G HN -0.067 8.265 8.290 0.069 0.000 0.549 101 Q N 0.071 119.882 119.800 0.018 0.000 2.361 101 Q HA -0.023 4.399 4.340 0.136 0.000 0.276 101 Q C -0.926 175.165 176.000 0.153 0.000 1.022 101 Q CA 0.584 56.468 55.803 0.134 0.000 0.898 101 Q CB 0.668 29.549 28.738 0.239 0.000 1.246 101 Q HN 0.043 8.253 8.270 -0.100 0.000 0.410 102 M N 3.817 123.438 119.600 0.035 0.000 2.518 102 M HA 0.710 5.026 4.480 -0.516 -0.145 0.300 102 M C -1.545 174.564 176.300 -0.318 0.000 1.175 102 M CA -1.430 53.643 55.300 -0.379 0.000 0.890 102 M CB 3.644 35.786 32.600 -0.764 0.000 1.710 102 M HN -0.055 8.284 8.290 0.082 0.000 0.453 103 I N 2.675 122.873 120.570 -0.621 0.000 2.722 103 I HA 0.321 4.260 4.170 -0.385 0.000 0.295 103 I C -3.032 172.683 176.117 -0.671 0.000 1.161 103 I CA -1.121 59.831 61.300 -0.580 0.000 1.032 103 I CB 3.916 41.537 38.000 -0.631 0.000 1.244 103 I HN 0.586 8.314 8.210 -0.803 0.000 0.421 104 E N 6.783 126.594 120.200 -0.649 0.000 2.183 104 E HA 0.583 4.888 4.350 -0.418 -0.205 0.271 104 E C -1.592 174.579 176.600 -0.714 0.000 0.919 104 E CA -1.973 54.115 56.400 -0.520 0.000 0.781 104 E CB 2.281 31.811 29.700 -0.283 0.000 1.140 104 E HN -0.017 8.004 8.360 -0.564 0.000 0.402 105 F N 4.822 124.674 119.950 -0.163 0.000 2.579 105 F HA 0.383 4.922 4.527 0.020 0.000 0.324 105 F C -0.825 175.066 175.800 0.152 0.000 1.058 105 F CA -1.137 56.844 58.000 -0.031 0.000 0.944 105 F CB 3.916 42.868 39.000 -0.080 0.000 1.245 105 F HN 0.570 8.778 8.300 -0.153 0.000 0.477 106 T N -4.123 110.729 114.554 0.497 0.000 3.541 106 T HA 0.344 5.302 4.350 0.673 -0.205 0.309 106 T C -0.956 173.972 174.700 0.379 0.000 0.973 106 T CA -1.360 61.028 62.100 0.480 0.000 0.993 106 T CB 0.272 69.299 68.868 0.266 0.000 1.206 106 T HN 0.440 8.965 8.240 0.475 0.000 0.489 107 E N -1.233 119.222 120.200 0.425 0.000 2.281 107 E HA 0.137 4.490 4.350 0.005 0.000 0.255 107 E C -2.494 174.207 176.600 0.168 0.000 1.229 107 E CA -1.322 55.178 56.400 0.166 0.000 0.908 107 E CB 1.297 31.073 29.700 0.126 0.000 1.670 107 E HN -0.598 8.148 8.360 0.644 0.000 0.480 108 D N -0.243 120.190 120.400 0.054 0.000 2.345 108 D HA 0.139 4.937 4.640 0.057 -0.124 0.247 108 D C -0.022 176.339 176.300 0.103 0.000 1.108 108 D CA 0.587 54.623 54.000 0.060 0.000 0.894 108 D CB 0.590 41.393 40.800 0.005 0.000 1.203 108 D HN 0.086 8.466 8.370 0.017 0.000 0.430 109 C N 3.534 122.892 119.300 0.096 0.000 2.653 109 C HA 0.259 4.737 4.460 0.031 0.000 0.291 109 C C 0.261 175.254 174.990 0.005 0.000 1.064 109 C CA -0.891 58.128 59.018 0.001 0.000 1.469 109 C CB 0.906 28.493 27.740 -0.255 0.000 1.861 109 C HN 0.419 8.736 8.230 0.144 0.000 0.434 110 S N 3.808 119.519 115.700 0.017 0.000 2.402 110 S HA -0.157 3.993 4.470 -0.534 0.000 0.229 110 S C -0.494 173.946 174.600 -0.266 0.000 1.021 110 S CA 2.951 61.032 58.200 -0.198 0.000 0.974 110 S CB 0.230 63.402 63.200 -0.047 0.000 0.800 110 S HN 0.574 8.921 8.310 0.062 0.000 0.484 111 C N 1.811 121.039 119.300 -0.120 0.000 2.653 111 C HA 0.317 4.704 4.460 -0.121 0.000 0.291 111 C C 0.292 175.266 174.990 -0.026 0.000 1.064 111 C CA -1.479 57.489 59.018 -0.084 0.000 1.469 111 C CB -0.265 27.446 27.740 -0.048 0.000 1.861 111 C HN -0.600 7.572 8.230 -0.062 0.020 0.434 112 L N 8.280 129.483 121.223 -0.033 0.000 2.046 112 L HA -0.327 4.023 4.340 0.016 0.000 0.208 112 L C 0.526 177.467 176.870 0.119 0.000 1.077 112 L CA 3.208 58.069 54.840 0.037 0.000 0.747 112 L CB 0.386 42.467 42.059 0.037 0.000 0.896 112 L HN 0.316 8.503 8.230 -0.072 0.000 0.432 113 Q N -4.710 115.131 119.800 0.068 0.000 2.528 113 Q HA -0.314 4.211 4.340 0.058 -0.150 0.217 113 Q C 1.363 177.393 176.000 0.051 0.000 0.988 113 Q CA 2.026 57.860 55.803 0.051 0.000 0.900 113 Q CB -1.363 27.382 28.738 0.012 0.000 0.947 113 Q HN 0.460 8.750 8.270 0.034 0.000 0.502 114 D N -2.774 117.670 120.400 0.073 0.000 2.338 114 D HA 0.053 4.721 4.640 0.046 0.000 0.208 114 D C 0.893 177.268 176.300 0.124 0.000 0.997 114 D CA 1.708 55.752 54.000 0.074 0.000 0.880 114 D CB 0.625 41.461 40.800 0.061 0.000 0.980 114 D HN -0.504 7.690 8.370 0.077 0.222 0.509 115 R N -2.524 118.104 120.500 0.213 0.000 2.191 115 R HA 0.189 4.664 4.340 0.226 0.000 0.196 115 R C 0.026 176.575 176.300 0.416 0.000 0.991 115 R CA 0.136 56.427 56.100 0.319 0.000 1.075 115 R CB 2.193 32.818 30.300 0.541 0.000 1.040 115 R HN 0.120 8.381 8.270 0.212 0.136 0.526 116 F N 0.626 120.712 119.950 0.226 0.000 2.477 116 F HA 0.252 4.888 4.527 0.182 0.000 0.335 116 F C -0.976 174.904 175.800 0.134 0.000 1.130 116 F CA -2.217 55.911 58.000 0.215 0.000 0.948 116 F CB 2.557 41.745 39.000 0.314 0.000 1.154 116 F HN 0.313 8.754 8.300 0.434 0.120 0.439 117 R N 6.454 126.758 120.500 -0.327 0.000 2.070 117 R HA -0.330 3.886 4.340 -0.208 0.000 0.232 117 R C -0.290 175.797 176.300 -0.356 0.000 1.138 117 R CA 2.253 58.123 56.100 -0.382 0.000 0.936 117 R CB -0.116 29.816 30.300 -0.613 0.000 0.839 117 R HN 0.317 8.304 8.270 -0.473 0.000 0.429 118 F N -2.964 116.739 119.950 -0.411 0.000 2.642 118 F HA -0.155 4.310 4.527 -0.104 0.000 0.371 118 F C 0.467 176.305 175.800 0.063 0.000 1.120 118 F CA 0.973 58.887 58.000 -0.143 0.000 1.331 118 F CB -0.134 38.809 39.000 -0.095 0.000 1.044 118 F HN -0.662 7.059 8.300 -0.965 0.000 0.594 119 N N 1.063 119.906 118.700 0.237 0.000 2.251 119 N HA 0.035 4.883 4.740 0.181 0.000 0.217 119 N C -1.464 174.182 175.510 0.226 0.000 1.124 119 N CA -0.309 52.854 53.050 0.189 0.000 0.843 119 N CB 1.154 39.705 38.487 0.106 0.000 1.024 119 N HN 0.299 8.810 8.380 0.218 0.000 0.501 120 E N -3.620 116.769 120.200 0.314 0.000 2.372 120 E HA 0.318 5.042 4.350 0.233 -0.234 0.279 120 E C -2.869 173.955 176.600 0.375 0.000 0.946 120 E CA -1.645 54.933 56.400 0.297 0.000 0.769 120 E CB 2.846 32.719 29.700 0.289 0.000 1.230 120 E HN -0.454 8.064 8.360 0.403 0.083 0.442 121 I N 0.940 121.703 120.570 0.323 0.000 2.436 121 I HA 0.213 4.598 4.170 0.360 0.000 0.289 121 I C -1.425 174.910 176.117 0.364 0.000 1.010 121 I CA -2.332 59.173 61.300 0.340 0.000 1.098 121 I CB 1.874 40.013 38.000 0.231 0.000 1.266 121 I HN 0.439 8.680 8.210 0.245 0.116 0.434 122 H N 5.069 124.262 119.070 0.205 0.000 2.487 122 H HA 0.075 4.773 4.556 0.237 0.000 0.290 122 H C -1.390 174.060 175.328 0.203 0.000 1.081 122 H CA -0.775 55.390 56.048 0.195 0.000 1.116 122 H CB 1.121 30.945 29.762 0.104 0.000 1.560 122 H HN 0.224 8.785 8.280 0.468 0.000 0.548 123 S N -4.048 111.883 115.700 0.386 0.000 2.744 123 S HA 0.078 4.775 4.470 0.380 0.000 0.284 123 S C -2.484 172.357 174.600 0.400 0.000 0.979 123 S CA 0.345 58.759 58.200 0.357 0.000 0.870 123 S CB 1.044 64.375 63.200 0.218 0.000 1.094 123 S HN -0.555 7.925 8.310 0.417 0.080 0.458 124 L N -5.341 116.126 121.223 0.407 0.000 2.710 124 L HA 0.698 5.456 4.340 0.430 -0.159 0.260 124 L C -2.141 174.934 176.870 0.343 0.000 0.993 124 L CA -0.006 55.026 54.840 0.320 0.000 0.877 124 L CB 3.476 45.571 42.059 0.060 0.000 1.461 124 L HN -0.110 8.400 8.230 0.467 0.000 0.413 125 N N -0.036 118.819 118.700 0.260 0.000 2.483 125 N HA 0.368 5.294 4.740 0.311 0.000 0.267 125 N C -1.145 174.429 175.510 0.107 0.000 0.998 125 N CA -0.516 52.668 53.050 0.223 0.000 0.918 125 N CB 2.803 41.404 38.487 0.189 0.000 1.215 125 N HN 0.215 8.609 8.380 0.221 0.119 0.500 126 V N 8.217 128.232 119.914 0.170 0.000 2.334 126 V HA 0.068 4.187 4.120 -0.001 0.000 0.267 126 V C -0.704 175.469 176.094 0.131 0.000 1.040 126 V CA 0.032 62.403 62.300 0.117 0.000 0.866 126 V CB -0.162 31.785 31.823 0.207 0.000 1.019 126 V HN 0.118 8.507 8.190 0.331 0.000 0.468 127 L N 7.444 128.731 121.223 0.108 0.000 2.068 127 L HA -0.039 4.331 4.340 0.050 0.000 0.204 127 L C 0.789 177.695 176.870 0.060 0.000 1.076 127 L CA 0.874 55.758 54.840 0.074 0.000 0.753 127 L CB -0.385 41.714 42.059 0.065 0.000 0.910 127 L HN 0.001 8.293 8.230 0.103 0.000 0.439 128 E N -3.746 116.532 120.200 0.130 0.000 2.407 128 E HA 0.039 4.355 4.350 -0.055 0.000 0.279 128 E C -1.526 175.158 176.600 0.141 0.000 1.012 128 E CA -0.835 55.596 56.400 0.053 0.000 0.800 128 E CB 3.538 33.242 29.700 0.007 0.000 1.276 128 E HN -0.742 7.758 8.360 0.234 0.000 0.452 129 G N 3.123 111.924 108.800 0.001 0.000 2.438 129 G HA2 -0.423 3.565 3.960 0.046 0.000 0.272 129 G HA3 -0.423 3.573 3.960 -0.062 -0.074 0.272 129 G C 0.062 174.945 174.900 -0.028 0.000 0.991 129 G CA 0.157 45.259 45.100 0.004 0.000 1.348 129 G HN 0.529 8.787 8.290 -0.053 0.000 0.483 130 S N 0.910 116.663 115.700 0.089 0.000 2.536 130 S HA -0.401 4.385 4.470 0.304 -0.133 0.294 130 S C -0.013 174.527 174.600 -0.099 0.000 1.289 130 S CA 2.333 60.622 58.200 0.149 0.000 1.035 130 S CB 0.773 64.079 63.200 0.176 0.000 0.783 130 S HN 0.053 8.452 8.310 0.149 0.000 0.497 131 W N -0.850 120.417 121.300 -0.055 0.000 2.850 131 W HA 0.630 5.411 4.660 -0.105 -0.184 0.349 131 W C -0.691 175.687 176.519 -0.236 0.000 1.133 131 W CA -1.287 55.981 57.345 -0.129 0.000 1.117 131 W CB 3.477 32.858 29.460 -0.131 0.000 1.442 131 W HN 0.170 8.576 8.180 0.376 0.000 0.575 132 V N -0.170 119.717 119.914 -0.045 0.000 2.439 132 V HA 0.624 4.798 4.120 -0.311 -0.241 0.277 132 V C -0.800 175.155 176.094 -0.231 0.000 1.008 132 V CA -0.937 61.194 62.300 -0.281 0.000 0.846 132 V CB 1.085 32.578 31.823 -0.550 0.000 1.031 132 V HN 0.608 8.842 8.190 0.073 0.000 0.441 133 L N 6.428 127.470 121.223 -0.302 0.000 2.426 133 L HA 0.215 4.710 4.340 -0.007 -0.160 0.271 133 L C -0.910 175.719 176.870 -0.401 0.000 1.169 133 L CA 0.089 54.813 54.840 -0.194 0.000 0.836 133 L CB 0.815 42.757 42.059 -0.196 0.000 1.112 133 L HN -0.045 7.981 8.230 -0.340 0.000 0.465 134 Y N 0.276 120.531 120.300 -0.076 0.000 2.376 134 Y HA 0.450 5.097 4.550 -0.212 -0.224 0.340 134 Y C 0.584 176.463 175.900 -0.036 0.000 0.965 134 Y CA -1.476 56.568 58.100 -0.093 0.000 1.078 134 Y CB 2.522 40.978 38.460 -0.006 0.000 1.193 134 Y HN 0.844 9.253 8.280 0.216 0.000 0.452 135 E N 4.116 124.370 120.200 0.090 0.000 2.086 135 E HA -0.326 4.307 4.350 0.183 -0.173 0.200 135 E C -0.871 175.791 176.600 0.104 0.000 1.012 135 E CA 2.739 59.219 56.400 0.134 0.000 0.812 135 E CB 0.463 30.237 29.700 0.123 0.000 0.743 135 E HN -0.029 8.314 8.360 -0.028 0.000 0.453 136 L N -8.943 112.331 121.223 0.085 0.000 2.283 136 L HA 0.363 4.715 4.340 0.020 0.000 0.259 136 L C -0.770 176.061 176.870 -0.065 0.000 1.027 136 L CA -2.507 52.345 54.840 0.021 0.000 0.828 136 L CB 2.388 44.456 42.059 0.015 0.000 1.380 136 L HN -0.676 7.620 8.230 0.117 0.004 0.425 137 S N -1.114 114.507 115.700 -0.132 0.000 2.641 137 S HA -0.148 4.069 4.470 -0.421 0.000 0.261 137 S C 0.739 175.117 174.600 -0.370 0.000 1.257 137 S CA 0.914 58.939 58.200 -0.292 0.000 0.983 137 S CB 0.768 63.844 63.200 -0.206 0.000 0.990 137 S HN -0.185 8.075 8.310 -0.083 0.000 0.572 138 N N -0.814 117.548 118.700 -0.563 0.000 2.708 138 N HA -0.416 4.100 4.740 -0.374 0.000 0.251 138 N C -1.428 173.894 175.510 -0.313 0.000 1.123 138 N CA 1.071 53.884 53.050 -0.395 0.000 0.739 138 N CB -0.514 37.880 38.487 -0.156 0.000 1.113 138 N HN -0.047 7.939 8.380 -0.657 0.000 0.561 139 Y N -8.495 111.650 120.300 -0.257 0.000 2.961 139 Y HA -0.416 3.791 4.550 -0.572 0.000 0.184 139 Y C 0.080 175.881 175.900 -0.164 0.000 1.515 139 Y CA 1.139 58.973 58.100 -0.443 0.000 0.883 139 Y CB -2.843 35.197 38.460 -0.699 0.000 1.412 139 Y HN -0.234 7.236 8.280 -1.264 0.052 0.362 140 R N 1.287 121.811 120.500 0.039 0.000 2.583 140 R HA 0.146 4.541 4.340 0.091 0.000 0.329 140 R C -1.555 174.802 176.300 0.095 0.000 1.166 140 R CA -0.580 55.562 56.100 0.070 0.000 1.264 140 R CB 0.749 31.065 30.300 0.026 0.000 1.324 140 R HN 0.112 8.393 8.270 0.018 0.000 0.684 141 G N -0.607 108.289 108.800 0.160 0.000 2.894 141 G HA2 0.181 4.202 3.960 0.102 0.000 0.164 141 G HA3 0.181 4.206 3.960 0.109 0.000 0.164 141 G C -1.909 173.061 174.900 0.116 0.000 1.180 141 G CA -0.125 45.050 45.100 0.126 0.000 0.997 141 G HN -0.112 8.326 8.290 0.248 0.000 0.572 142 R N 1.012 121.522 120.500 0.017 0.000 2.637 142 R HA 0.089 4.367 4.340 -0.103 0.000 0.269 142 R C -1.295 174.683 176.300 -0.537 0.000 1.089 142 R CA 0.181 56.168 56.100 -0.189 0.000 1.177 142 R CB 1.058 31.259 30.300 -0.164 0.000 1.091 142 R HN 0.116 8.411 8.270 0.041 0.000 0.540 143 Q N -1.675 117.600 119.800 -0.876 0.000 2.315 143 Q HA 0.906 4.588 4.340 -1.472 -0.226 0.273 143 Q C -1.790 173.531 176.000 -1.131 0.000 1.053 143 Q CA -1.581 53.524 55.803 -1.164 0.000 0.817 143 Q CB 3.679 31.952 28.738 -0.775 0.000 1.326 143 Q HN 0.189 8.041 8.270 -0.695 0.000 0.423 144 Y N -0.697 119.338 120.300 -0.443 0.000 2.462 144 Y HA 0.201 4.756 4.550 -0.208 -0.129 0.346 144 Y C -1.966 173.722 175.900 -0.354 0.000 0.976 144 Y CA -1.691 56.205 58.100 -0.340 0.000 1.044 144 Y CB 2.993 41.177 38.460 -0.460 0.000 1.230 144 Y HN 0.604 8.335 8.280 -0.915 0.000 0.455 145 L N 2.616 123.823 121.223 -0.027 0.000 2.275 145 L HA 0.573 5.023 4.340 -0.095 -0.166 0.288 145 L C -0.952 175.923 176.870 0.008 0.000 1.046 145 L CA -1.161 53.671 54.840 -0.014 0.000 0.805 145 L CB 1.587 43.708 42.059 0.103 0.000 1.193 145 L HN -0.096 8.383 8.230 0.092 -0.195 0.426 146 L N 8.005 129.197 121.223 -0.052 0.000 2.313 146 L HA 0.294 4.613 4.340 -0.035 0.000 0.273 146 L C -0.865 176.104 176.870 0.165 0.000 1.028 146 L CA -1.501 53.292 54.840 -0.079 0.000 0.871 146 L CB -1.356 40.471 42.059 -0.387 0.000 1.242 146 L HN 0.809 9.009 8.230 -0.049 0.000 0.434 147 M N 5.447 125.235 119.600 0.313 0.000 2.157 147 M HA 0.168 4.798 4.480 0.251 0.000 0.304 147 M C -2.084 174.386 176.300 0.283 0.000 1.171 147 M CA -2.180 53.290 55.300 0.284 0.000 1.157 147 M CB 0.436 33.189 32.600 0.254 0.000 1.403 147 M HN -0.143 8.378 8.290 0.386 0.000 0.473 148 P HA -0.088 4.552 4.420 0.112 -0.153 0.265 148 P C -0.708 176.637 177.300 0.074 0.000 1.222 148 P CA -0.079 63.032 63.100 0.019 0.000 0.767 148 P CB -0.089 31.441 31.700 -0.283 0.000 0.801 149 G N 3.716 112.604 108.800 0.146 0.000 2.364 149 G HA2 -0.077 3.866 3.960 -0.028 0.000 0.286 149 G HA3 -0.077 3.806 3.960 -0.129 0.000 0.286 149 G C -3.252 171.653 174.900 0.007 0.000 1.241 149 G CA 0.283 45.379 45.100 -0.006 0.000 0.887 149 G HN -0.361 8.079 8.290 0.250 0.000 0.484 150 D N 0.862 121.143 120.400 -0.199 0.000 2.481 150 D HA 0.309 5.018 4.640 0.115 0.000 0.246 150 D C -1.415 174.751 176.300 -0.225 0.000 1.109 150 D CA -0.835 53.118 54.000 -0.078 0.000 0.845 150 D CB 1.381 42.142 40.800 -0.064 0.000 1.160 150 D HN -0.042 8.141 8.370 -0.312 0.000 0.534 151 Y N 3.595 123.961 120.300 0.109 0.000 2.331 151 Y HA 0.205 4.941 4.550 0.067 -0.146 0.338 151 Y C 0.463 176.413 175.900 0.083 0.000 0.992 151 Y CA -1.005 57.169 58.100 0.123 0.000 1.121 151 Y CB 1.737 40.384 38.460 0.313 0.000 1.184 151 Y HN 0.376 8.985 8.280 0.549 0.000 0.469 152 R N 0.809 121.376 120.500 0.112 0.000 2.437 152 R HA 0.190 4.574 4.340 0.073 0.000 0.257 152 R C -0.923 175.380 176.300 0.005 0.000 0.927 152 R CA 0.171 56.297 56.100 0.044 0.000 1.078 152 R CB 1.518 31.810 30.300 -0.014 0.000 1.161 152 R HN 0.326 8.810 8.270 0.037 -0.192 0.529 153 R N -3.495 116.974 120.500 -0.052 0.000 2.733 153 R HA 0.437 5.000 4.340 0.024 -0.209 0.272 153 R C -0.630 175.377 176.300 -0.488 0.000 1.029 153 R CA -1.351 54.662 56.100 -0.146 0.000 0.888 153 R CB 2.343 32.511 30.300 -0.219 0.000 1.251 153 R HN -0.742 7.718 8.270 -0.042 -0.215 0.464 154 Y N -1.116 118.817 120.300 -0.612 0.000 2.457 154 Y HA -0.121 3.266 4.550 -1.939 0.000 0.292 154 Y C 0.585 175.744 175.900 -1.234 0.000 1.125 154 Y CA 1.460 58.895 58.100 -1.109 0.000 1.254 154 Y CB -0.665 37.470 38.460 -0.541 0.000 1.012 154 Y HN 0.538 8.855 8.280 0.061 0.000 0.555 155 Q N -0.846 118.048 119.800 -1.509 0.000 2.291 155 Q HA -0.297 3.470 4.340 -0.955 0.000 0.205 155 Q C 1.588 177.183 176.000 -0.674 0.000 0.970 155 Q CA 2.232 57.407 55.803 -1.047 0.000 0.876 155 Q CB -0.781 27.445 28.738 -0.853 0.000 0.935 155 Q HN -0.073 7.264 8.270 -1.492 0.037 0.455 156 D N 1.450 121.448 120.400 -0.670 0.000 2.116 156 D HA -0.267 4.249 4.640 -0.206 0.000 0.193 156 D C 0.639 176.898 176.300 -0.069 0.000 0.998 156 D CA 2.801 56.632 54.000 -0.282 0.000 0.836 156 D CB -0.441 40.325 40.800 -0.056 0.000 0.951 156 D HN -0.383 7.451 8.370 -0.822 0.043 0.449 157 W N -2.941 118.393 121.300 0.057 0.000 3.305 157 W HA 0.163 4.892 4.660 0.115 0.000 0.392 157 W C -0.315 176.197 176.519 -0.012 0.000 1.121 157 W CA -1.999 55.382 57.345 0.060 0.000 1.909 157 W CB -1.287 28.205 29.460 0.053 0.000 1.065 157 W HN -0.876 6.693 8.180 -1.018 0.000 0.714 158 G N 1.210 109.937 108.800 -0.122 0.000 2.354 158 G HA2 -0.475 3.428 3.960 -0.177 0.000 0.278 158 G HA3 -0.475 3.505 3.960 0.032 0.000 0.278 158 G C -1.213 173.659 174.900 -0.046 0.000 0.953 158 G CA 0.408 45.459 45.100 -0.082 0.000 1.346 158 G HN -0.221 7.676 8.290 -0.268 0.232 0.467 159 A N 1.930 124.646 122.820 -0.173 0.000 2.374 159 A HA 0.331 4.584 4.320 -0.112 0.000 0.317 159 A C -0.638 177.028 177.584 0.138 0.000 1.094 159 A CA -1.425 50.577 52.037 -0.059 0.000 0.765 159 A CB 2.534 21.533 19.000 -0.002 0.000 1.268 159 A HN -0.806 7.121 8.150 -0.373 0.000 0.438 160 T N 0.387 115.000 114.554 0.098 0.000 3.085 160 T HA -0.125 4.313 4.350 0.146 0.000 0.263 160 T C -1.016 173.693 174.700 0.016 0.000 1.127 160 T CA 1.270 63.436 62.100 0.111 0.000 1.103 160 T CB -0.240 68.682 68.868 0.091 0.000 0.921 160 T HN 0.333 8.602 8.240 0.049 0.000 0.510 161 N N -3.394 115.252 118.700 -0.090 0.000 3.427 161 N HA -0.019 4.187 4.740 -0.890 0.000 0.313 161 N C -2.005 173.258 175.510 -0.411 0.000 1.491 161 N CA -0.184 52.607 53.050 -0.432 0.000 0.870 161 N CB 1.565 39.942 38.487 -0.183 0.000 1.763 161 N HN -0.930 7.403 8.380 0.024 0.061 0.502 162 A N -1.248 121.320 122.820 -0.420 0.000 2.259 162 A HA 0.249 4.585 4.320 -0.028 -0.032 0.213 162 A C 0.282 177.896 177.584 0.051 0.000 1.209 162 A CA -0.047 51.858 52.037 -0.220 0.000 0.910 162 A CB 0.835 19.443 19.000 -0.654 0.000 0.946 162 A HN 0.316 8.230 8.150 -0.394 0.000 0.497 163 R N 0.250 120.783 120.500 0.055 0.000 2.695 163 R HA -0.204 4.409 4.340 0.136 -0.192 0.304 163 R C -1.066 175.328 176.300 0.156 0.000 0.836 163 R CA 1.088 57.260 56.100 0.119 0.000 1.135 163 R CB -0.965 29.396 30.300 0.102 0.000 0.882 163 R HN -0.235 8.028 8.270 -0.012 0.000 0.413 164 V N 3.895 123.904 119.914 0.157 0.000 2.656 164 V HA 0.224 4.533 4.120 0.145 -0.102 0.307 164 V C -1.219 174.940 176.094 0.109 0.000 1.051 164 V CA -1.326 61.057 62.300 0.139 0.000 0.893 164 V CB 2.938 34.838 31.823 0.129 0.000 0.999 164 V HN 0.413 8.564 8.190 0.169 0.140 0.426 165 G N 2.812 111.658 108.800 0.077 0.000 2.739 165 G HA2 0.293 4.271 3.960 0.030 0.000 0.200 165 G HA3 0.293 4.206 3.960 0.007 0.052 0.200 165 G C -1.460 173.415 174.900 -0.041 0.000 1.069 165 G CA -0.260 44.852 45.100 0.021 0.000 0.768 165 G HN 1.045 9.292 8.290 0.095 0.100 0.565 166 S N -1.434 114.257 115.700 -0.015 0.000 2.643 166 S HA 0.625 5.075 4.470 -0.107 -0.044 0.270 166 S C -2.349 172.329 174.600 0.129 0.000 1.166 166 S CA -0.379 57.784 58.200 -0.062 0.000 0.815 166 S CB 3.452 66.427 63.200 -0.375 0.000 1.139 166 S HN -0.582 7.770 8.310 0.069 0.000 0.472 167 L N -5.888 115.438 121.223 0.171 0.000 2.545 167 L HA 0.861 5.644 4.340 0.360 -0.227 0.258 167 L C -2.520 174.519 176.870 0.282 0.000 0.942 167 L CA -0.665 54.327 54.840 0.253 0.000 0.855 167 L CB 4.394 46.503 42.059 0.084 0.000 1.374 167 L HN 0.107 8.400 8.230 0.106 0.000 0.411 168 R N 0.111 120.738 120.500 0.213 0.000 2.888 168 R HA 0.712 5.145 4.340 -0.024 -0.107 0.264 168 R C -1.570 174.576 176.300 -0.257 0.000 1.045 168 R CA -2.199 53.875 56.100 -0.044 0.000 0.962 168 R CB 4.483 34.648 30.300 -0.224 0.000 1.210 168 R HN -0.080 8.328 8.270 0.230 0.000 0.479 169 R N -0.398 119.777 120.500 -0.542 0.000 2.407 169 R HA 0.590 4.443 4.340 -1.069 -0.155 0.303 169 R C -0.222 175.824 176.300 -0.422 0.000 0.981 169 R CA -1.735 53.870 56.100 -0.824 0.000 0.905 169 R CB 1.734 31.371 30.300 -1.105 0.000 1.099 169 R HN -0.353 7.850 8.270 -0.441 -0.197 0.459 170 V N 3.718 123.469 119.914 -0.272 0.000 2.455 170 V HA -0.142 4.027 4.120 0.081 0.000 0.273 170 V C -1.669 174.472 176.094 0.078 0.000 1.045 170 V CA 0.698 62.994 62.300 -0.007 0.000 0.976 170 V CB 0.479 32.351 31.823 0.082 0.000 0.993 170 V HN 0.625 8.501 8.190 -0.340 0.110 0.475 171 I N 8.050 128.689 120.570 0.115 0.000 2.436 171 I HA 0.180 4.495 4.170 0.241 0.000 0.289 171 I C -0.869 175.317 176.117 0.115 0.000 1.010 171 I CA -1.537 59.860 61.300 0.162 0.000 1.098 171 I CB 3.580 41.661 38.000 0.134 0.000 1.266 171 I HN 0.085 8.387 8.210 0.154 0.000 0.434 172 D N 7.461 127.871 120.400 0.016 0.000 2.366 172 D HA 0.018 4.641 4.640 -0.027 0.000 0.205 172 D C 0.882 177.100 176.300 -0.137 0.000 1.022 172 D CA 1.327 55.263 54.000 -0.108 0.000 0.868 172 D CB 0.342 40.995 40.800 -0.245 0.000 0.953 172 D HN 0.452 8.829 8.370 0.013 0.000 0.514 173 F N -1.415 118.562 119.950 0.046 0.000 2.102 173 F HA -0.256 4.290 4.527 0.032 0.000 0.298 173 F C 0.330 176.147 175.800 0.029 0.000 1.105 173 F CA 3.127 61.148 58.000 0.036 0.000 1.239 173 F CB -0.087 38.937 39.000 0.039 0.000 0.991 173 F HN -0.150 8.212 8.300 0.103 0.000 0.474 174 S N 0.000 115.830 115.700 0.216 0.000 2.498 174 S HA 0.000 4.540 4.470 0.117 0.000 0.327 174 S CA 0.000 58.274 58.200 0.123 0.000 1.107 174 S CB 0.000 63.257 63.200 0.095 0.000 0.593 174 S HN 0.000 8.458 8.310 0.246 0.000 0.517