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 1g90_1_A DATA FIRST_RESID 1 DATA SEQUENCE APKDNTWYTG AKLGFSQYHD TGFINNNGPT HENQLGAGAF GGYQVNPYVG DATA SEQUENCE FEMGYDFLGR MPYKGSVENG AYKAQGVQLT AKLGYPITDD LDIYTRLGGM DATA SEQUENCE VFRADTKSNV YGKNHDTGVS PVFAGGVEYA ITPEIATRLE YQFTNNIGDA DATA SEQUENCE HTIGTRPDNG MLSLGVSYRF GQGEAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 4.339 4.320 0.032 0.000 0.244 1 A C 0.000 177.609 177.584 0.042 0.000 1.274 1 A CA 0.000 52.059 52.037 0.037 0.000 0.836 1 A CB 0.000 19.026 19.000 0.043 0.000 0.831 2 P HA 0.116 4.690 4.420 0.042 -0.129 0.235 2 P C -1.368 175.964 177.300 0.054 0.000 1.765 2 P CA -0.298 62.827 63.100 0.042 0.000 1.034 2 P CB -1.445 30.276 31.700 0.034 0.000 1.984 3 K N 1.252 121.691 120.400 0.065 0.000 2.646 3 K HA 0.267 4.638 4.320 0.084 0.000 0.206 3 K C -0.413 176.245 176.600 0.096 0.000 1.069 3 K CA -1.025 55.314 56.287 0.086 0.000 1.067 3 K CB 0.773 33.333 32.500 0.101 0.000 0.807 3 K HN 0.032 8.253 8.250 0.061 0.065 0.482 4 D N -1.025 119.425 120.400 0.084 0.000 2.154 4 D HA -0.317 4.533 4.640 0.090 -0.155 0.190 4 D C 0.384 176.761 176.300 0.129 0.000 1.003 4 D CA 3.695 57.753 54.000 0.096 0.000 0.849 4 D CB -0.142 40.709 40.800 0.085 0.000 0.942 4 D HN 0.135 8.474 8.370 0.070 0.073 0.446 5 N N -0.763 118.008 118.700 0.119 0.000 2.405 5 N HA 0.046 5.135 4.740 0.198 -0.229 0.260 5 N C -1.205 174.397 175.510 0.153 0.000 1.152 5 N CA 0.486 53.616 53.050 0.134 0.000 0.948 5 N CB 0.304 38.817 38.487 0.044 0.000 1.111 5 N HN -0.153 8.282 8.380 0.091 0.000 0.485 6 T N 8.028 122.721 114.554 0.230 0.000 2.879 6 T HA 0.311 4.820 4.350 0.266 0.000 0.290 6 T C -1.304 173.624 174.700 0.381 0.000 0.993 6 T CA -0.563 61.704 62.100 0.278 0.000 0.975 6 T CB 2.741 71.751 68.868 0.235 0.000 0.981 6 T HN 0.210 8.615 8.240 0.275 0.000 0.439 7 W N 8.866 130.275 121.300 0.181 0.000 2.215 7 W HA 0.181 5.076 4.660 0.164 -0.136 0.342 7 W C -1.835 174.863 176.519 0.299 0.000 1.237 7 W CA -0.176 57.260 57.345 0.152 0.000 1.283 7 W CB 2.554 31.976 29.460 -0.064 0.000 1.131 7 W HN 0.508 8.958 8.180 0.451 0.000 0.606 8 Y N -2.195 117.918 120.300 -0.311 0.000 2.638 8 Y HA 0.722 5.470 4.550 0.191 -0.083 0.335 8 Y C -2.384 173.389 175.900 -0.211 0.000 1.155 8 Y CA -1.687 56.357 58.100 -0.093 0.000 1.046 8 Y CB 2.328 40.740 38.460 -0.078 0.000 1.303 8 Y HN 0.851 8.066 8.280 -1.616 0.096 0.460 9 T N 0.107 114.815 114.554 0.257 0.000 2.887 9 T HA 0.511 5.011 4.350 0.082 -0.101 0.292 9 T C -1.042 173.873 174.700 0.359 0.000 1.087 9 T CA -2.533 59.721 62.100 0.257 0.000 1.009 9 T CB 2.276 71.349 68.868 0.342 0.000 1.203 9 T HN 0.741 9.234 8.240 0.422 0.000 0.518 10 G N 0.062 109.059 108.800 0.329 0.000 2.600 10 G HA2 0.687 4.818 3.960 0.259 0.000 0.293 10 G HA3 0.687 4.855 3.960 0.259 -0.053 0.293 10 G C -3.689 171.404 174.900 0.321 0.000 1.408 10 G CA 0.280 45.554 45.100 0.291 0.000 0.782 10 G HN 0.417 8.812 8.290 0.322 0.089 0.482 11 A N -2.684 120.292 122.820 0.260 0.000 2.549 11 A HA 0.847 5.533 4.320 0.402 -0.124 0.297 11 A C -2.529 175.174 177.584 0.197 0.000 1.061 11 A CA -0.782 51.422 52.037 0.278 0.000 0.690 11 A CB 3.504 22.636 19.000 0.220 0.000 1.287 11 A HN 0.363 8.629 8.150 0.193 0.000 0.402 12 K N -0.897 119.631 120.400 0.213 0.000 2.444 12 K HA 0.870 5.372 4.320 0.082 -0.132 0.252 12 K C -1.904 174.761 176.600 0.107 0.000 0.993 12 K CA -1.589 54.775 56.287 0.128 0.000 0.847 12 K CB 4.905 37.465 32.500 0.100 0.000 1.340 12 K HN 0.666 8.971 8.250 0.292 0.120 0.446 13 L N -0.099 121.166 121.223 0.071 0.000 2.341 13 L HA 0.528 5.009 4.340 0.046 -0.113 0.267 13 L C -2.076 174.839 176.870 0.074 0.000 1.009 13 L CA -1.988 52.887 54.840 0.057 0.000 0.819 13 L CB 4.288 46.372 42.059 0.040 0.000 1.323 13 L HN 0.785 9.051 8.230 0.060 0.000 0.425 14 G N 0.882 109.735 108.800 0.088 0.000 2.690 14 G HA2 0.756 4.899 3.960 0.137 0.000 0.291 14 G HA3 0.756 4.775 3.960 0.100 0.000 0.291 14 G C -3.275 171.740 174.900 0.190 0.000 1.403 14 G CA -0.430 44.744 45.100 0.123 0.000 0.864 14 G HN 0.645 8.884 8.290 0.072 0.094 0.480 15 F N -0.087 119.880 119.950 0.028 0.000 2.581 15 F HA 0.642 5.322 4.527 0.011 -0.146 0.311 15 F C -2.806 173.023 175.800 0.048 0.000 1.113 15 F CA -1.569 56.448 58.000 0.029 0.000 0.935 15 F CB 4.264 43.284 39.000 0.034 0.000 1.232 15 F HN 0.954 9.399 8.300 0.242 0.000 0.445 16 S N 6.953 122.198 115.700 -0.758 0.000 2.383 16 S HA 0.375 4.642 4.470 -0.337 0.000 0.196 16 S C -1.978 172.265 174.600 -0.596 0.000 1.364 16 S CA -1.020 56.876 58.200 -0.506 0.000 1.212 16 S CB 1.513 64.569 63.200 -0.239 0.000 1.171 16 S HN 0.790 8.422 8.310 -0.919 0.127 0.456 17 Q N 5.539 124.905 119.800 -0.723 0.000 2.352 17 Q HA -0.164 4.129 4.340 -0.077 0.000 0.260 17 Q C -1.896 174.153 176.000 0.082 0.000 0.976 17 Q CA 0.112 55.806 55.803 -0.181 0.000 0.881 17 Q CB 0.449 29.200 28.738 0.022 0.000 1.235 17 Q HN 0.278 8.089 8.270 -0.764 0.000 0.419 18 Y N 4.850 125.165 120.300 0.025 0.000 2.252 18 Y HA 0.226 4.818 4.550 0.070 0.000 0.321 18 Y C -2.801 173.169 175.900 0.117 0.000 1.208 18 Y CA 0.474 58.604 58.100 0.050 0.000 1.258 18 Y CB 1.933 40.377 38.460 -0.026 0.000 1.235 18 Y HN 0.515 8.796 8.280 0.198 0.119 0.408 19 H N 3.314 122.252 119.070 -0.221 0.000 2.573 19 H HA 0.252 4.765 4.556 -0.073 0.000 0.351 19 H C -2.191 172.889 175.328 -0.413 0.000 1.163 19 H CA -1.564 54.358 56.048 -0.210 0.000 1.205 19 H CB 2.818 32.469 29.762 -0.186 0.000 1.605 19 H HN -0.469 7.834 8.280 0.038 0.000 0.525 20 D N -0.436 119.740 120.400 -0.372 0.000 4.063 20 D HA -0.158 4.422 4.640 -0.323 -0.134 0.134 20 D C -1.695 174.597 176.300 -0.013 0.000 0.466 20 D CA 0.737 54.544 54.000 -0.321 0.000 0.658 20 D CB 0.345 40.813 40.800 -0.554 0.000 1.601 20 D HN 0.873 9.595 8.370 -0.162 -0.449 0.323 21 T N -2.814 111.844 114.554 0.174 0.000 2.934 21 T HA 0.349 4.795 4.350 0.160 0.000 0.328 21 T C -0.863 173.967 174.700 0.217 0.000 1.068 21 T CA -1.904 60.339 62.100 0.238 0.000 1.018 21 T CB 0.785 69.880 68.868 0.379 0.000 1.009 21 T HN -0.523 7.771 8.240 0.195 0.063 0.471 22 G N 3.344 112.230 108.800 0.143 0.000 2.899 22 G HA2 0.420 4.545 3.960 0.275 0.000 0.137 22 G HA3 0.420 4.611 3.960 0.028 -0.214 0.137 22 G C -2.202 172.830 174.900 0.219 0.000 1.198 22 G CA 0.612 45.810 45.100 0.163 0.000 1.126 22 G HN -0.119 8.232 8.290 0.102 0.000 0.589 23 F N -2.590 117.392 119.950 0.054 0.000 3.087 23 F HA 0.369 4.922 4.527 0.042 0.000 0.371 23 F C -0.592 175.237 175.800 0.049 0.000 1.144 23 F CA -0.651 57.376 58.000 0.045 0.000 1.030 23 F CB 2.124 41.147 39.000 0.038 0.000 1.366 23 F HN 0.345 8.724 8.300 -0.409 -0.324 0.522 24 I N -3.598 116.773 120.570 -0.333 0.000 8.880 24 I HA -0.514 3.652 4.170 -0.251 -0.146 0.126 24 I C -1.597 174.312 176.117 -0.347 0.000 1.837 24 I CA 1.355 62.501 61.300 -0.257 0.000 2.080 24 I CB -0.575 37.397 38.000 -0.047 0.000 3.865 24 I HN 0.103 8.531 8.210 -0.401 -0.459 0.182 25 N N 4.653 123.190 118.700 -0.272 0.000 2.697 25 N HA 0.248 5.002 4.740 0.023 0.000 0.272 25 N C -1.640 173.869 175.510 -0.002 0.000 1.381 25 N CA -1.598 51.393 53.050 -0.098 0.000 0.797 25 N CB 3.029 41.438 38.487 -0.130 0.000 1.523 25 N HN -0.071 8.188 8.380 -0.203 0.000 0.518 26 N N 0.365 119.079 118.700 0.025 0.000 1.824 26 N HA -0.251 4.538 4.740 0.082 0.000 0.236 26 N C -0.548 174.959 175.510 -0.006 0.000 1.097 26 N CA 1.383 54.444 53.050 0.018 0.000 1.053 26 N CB 0.385 38.841 38.487 -0.052 0.000 1.409 26 N HN 0.340 8.738 8.380 0.031 0.000 0.500 27 N N -1.206 117.488 118.700 -0.010 0.000 2.416 27 N HA -0.111 4.617 4.740 -0.021 0.000 0.246 27 N C -0.719 174.790 175.510 -0.001 0.000 1.260 27 N CA 0.365 53.410 53.050 -0.009 0.000 0.897 27 N CB 0.427 38.915 38.487 0.003 0.000 1.110 27 N HN -0.246 8.125 8.380 -0.016 0.000 0.439 28 G N 1.547 110.345 108.800 -0.003 0.000 2.486 28 G HA2 -0.145 3.860 3.960 0.075 0.000 0.220 28 G HA3 -0.145 3.832 3.960 0.029 0.000 0.220 28 G C -2.408 172.479 174.900 -0.022 0.000 1.313 28 G CA -0.472 44.642 45.100 0.024 0.000 1.187 28 G HN 0.202 8.488 8.290 -0.008 0.000 0.599 29 P HA 0.048 4.470 4.420 0.004 0.000 0.235 29 P C -0.929 176.485 177.300 0.190 0.000 1.765 29 P CA -0.831 62.333 63.100 0.106 0.000 1.034 29 P CB -1.545 30.278 31.700 0.205 0.000 1.984 30 T N 4.776 119.333 114.554 0.005 0.000 2.932 30 T HA -0.179 4.026 4.350 -0.241 0.000 0.312 30 T C -1.368 173.347 174.700 0.024 0.000 1.071 30 T CA 1.901 63.954 62.100 -0.079 0.000 1.128 30 T CB 0.776 69.570 68.868 -0.122 0.000 0.984 30 T HN 0.253 8.350 8.240 -0.117 0.072 0.549 31 H N 2.089 121.248 119.070 0.148 0.000 3.038 31 H HA 0.273 5.077 4.556 0.114 -0.180 0.362 31 H C -1.698 173.718 175.328 0.146 0.000 1.167 31 H CA -1.572 54.540 56.048 0.107 0.000 1.197 31 H CB 2.200 31.970 29.762 0.013 0.000 1.840 31 H HN 0.059 7.980 8.280 -0.598 0.000 0.540 32 E N 1.009 121.354 120.200 0.242 0.000 2.034 32 E HA -0.058 4.417 4.350 0.207 0.000 0.192 32 E C 1.038 177.702 176.600 0.106 0.000 0.963 32 E CA 1.498 57.982 56.400 0.139 0.000 0.831 32 E CB 0.974 30.613 29.700 -0.102 0.000 0.801 32 E HN 0.466 8.975 8.360 0.248 0.000 0.463 33 N N -1.331 117.352 118.700 -0.028 0.000 2.354 33 N HA -0.199 4.540 4.740 -0.003 0.000 0.179 33 N C 1.149 176.644 175.510 -0.024 0.000 1.021 33 N CA 2.053 55.073 53.050 -0.049 0.000 0.887 33 N CB 0.290 38.690 38.487 -0.146 0.000 0.974 33 N HN 0.059 8.375 8.380 -0.106 0.000 0.437 34 Q N -3.897 115.851 119.800 -0.086 0.000 2.070 34 Q HA -0.483 3.702 4.340 -0.375 -0.070 0.177 34 Q C -1.952 173.923 176.000 -0.209 0.000 2.921 34 Q CA 2.594 58.246 55.803 -0.251 0.000 0.206 34 Q CB -0.355 28.193 28.738 -0.316 0.000 0.258 34 Q HN 0.157 8.379 8.270 -0.080 0.000 0.373 35 L N -8.395 112.798 121.223 -0.051 0.000 2.720 35 L HA 0.653 5.145 4.340 0.060 -0.115 0.261 35 L C -1.466 175.422 176.870 0.030 0.000 1.046 35 L CA -0.839 54.029 54.840 0.046 0.000 0.886 35 L CB 3.326 45.467 42.059 0.136 0.000 1.493 35 L HN -0.159 8.005 8.230 -0.032 0.047 0.407 36 G N -4.159 104.658 108.800 0.030 0.000 2.430 36 G HA2 0.472 4.403 3.960 -0.059 0.000 0.300 36 G HA3 0.472 4.472 3.960 -0.008 -0.045 0.300 36 G C -3.053 171.817 174.900 -0.050 0.000 1.330 36 G CA 0.758 45.842 45.100 -0.026 0.000 0.813 36 G HN 0.080 8.406 8.290 0.060 0.000 0.487 37 A N -3.112 119.608 122.820 -0.166 0.000 2.530 37 A HA 0.791 5.206 4.320 0.005 -0.092 0.288 37 A C -2.498 175.050 177.584 -0.060 0.000 1.172 37 A CA -1.778 50.192 52.037 -0.111 0.000 0.733 37 A CB 3.659 22.564 19.000 -0.158 0.000 1.320 37 A HN 0.891 8.852 8.150 -0.314 0.000 0.419 38 G N -4.189 104.721 108.800 0.183 0.000 2.608 38 G HA2 0.756 5.118 3.960 0.575 0.000 0.291 38 G HA3 0.756 5.285 3.960 0.620 -0.197 0.291 38 G C -3.274 171.921 174.900 0.491 0.000 1.425 38 G CA -0.079 45.298 45.100 0.462 0.000 0.787 38 G HN 0.309 8.612 8.290 0.174 0.092 0.484 39 A N -1.124 121.944 122.820 0.413 0.000 2.455 39 A HA 0.946 5.673 4.320 0.426 -0.151 0.300 39 A C -2.791 174.726 177.584 -0.112 0.000 1.040 39 A CA -1.162 51.068 52.037 0.321 0.000 0.697 39 A CB 3.439 22.641 19.000 0.337 0.000 1.265 39 A HN 0.414 8.725 8.150 0.267 0.000 0.407 40 F N 0.162 120.181 119.950 0.114 0.000 2.599 40 F HA 0.619 5.204 4.527 -0.110 -0.124 0.311 40 F C -1.004 174.804 175.800 0.014 0.000 1.076 40 F CA -1.314 56.690 58.000 0.007 0.000 0.937 40 F CB 5.321 44.342 39.000 0.036 0.000 1.282 40 F HN 1.008 9.447 8.300 0.401 0.101 0.460 41 G N -0.744 108.072 108.800 0.026 0.000 2.498 41 G HA2 0.869 4.850 3.960 -0.175 0.000 0.312 41 G HA3 0.869 4.914 3.960 0.142 0.000 0.312 41 G C -2.594 171.894 174.900 -0.687 0.000 1.230 41 G CA -1.785 43.214 45.100 -0.168 0.000 0.968 41 G HN 0.997 9.153 8.290 -0.042 0.109 0.481 42 G N -1.526 106.237 108.800 -1.727 0.000 2.576 42 G HA2 0.844 4.226 3.960 -1.002 0.000 0.290 42 G HA3 0.844 3.718 3.960 -1.865 -0.033 0.290 42 G C -3.296 170.471 174.900 -1.889 0.000 1.442 42 G CA 0.429 44.485 45.100 -1.740 0.000 0.792 42 G HN 0.429 7.325 8.290 -2.322 0.000 0.491 43 Y N -5.024 114.801 120.300 -0.791 0.000 2.644 43 Y HA 0.874 5.411 4.550 -0.208 -0.112 0.338 43 Y C -2.504 173.536 175.900 0.233 0.000 1.119 43 Y CA -2.632 55.357 58.100 -0.186 0.000 1.060 43 Y CB 2.628 41.114 38.460 0.043 0.000 1.294 43 Y HN 0.336 8.121 8.280 -0.645 0.107 0.472 44 Q N -2.244 117.846 119.800 0.482 0.000 2.359 44 Q HA 0.497 5.102 4.340 0.261 -0.108 0.275 44 Q C -1.489 174.767 176.000 0.428 0.000 1.082 44 Q CA -1.697 54.315 55.803 0.349 0.000 0.849 44 Q CB 4.659 33.519 28.738 0.204 0.000 1.377 44 Q HN 0.780 9.351 8.270 0.502 0.000 0.452 45 V N 2.150 122.265 119.914 0.336 0.000 2.327 45 V HA 0.331 4.702 4.120 0.251 -0.101 0.272 45 V C -1.686 174.550 176.094 0.237 0.000 1.019 45 V CA -2.179 60.293 62.300 0.287 0.000 0.814 45 V CB 1.467 33.483 31.823 0.322 0.000 1.040 45 V HN 0.586 8.936 8.190 0.267 0.000 0.440 46 N N 7.721 126.523 118.700 0.170 0.000 6.420 46 N HA -0.239 4.551 4.740 0.083 0.000 0.404 46 N C -2.079 173.472 175.510 0.068 0.000 0.965 46 N CA 1.975 55.094 53.050 0.115 0.000 1.925 46 N CB -1.547 37.010 38.487 0.117 0.000 0.731 46 N HN 0.656 9.036 8.380 0.164 0.098 0.511 47 P HA 0.039 4.317 4.420 -0.237 0.000 0.244 47 P C -2.069 175.143 177.300 -0.147 0.000 1.723 47 P CA 1.166 64.145 63.100 -0.202 0.000 1.110 47 P CB -1.873 29.662 31.700 -0.275 0.000 1.972 48 Y N 2.863 123.091 120.300 -0.119 0.000 3.326 48 Y HA 0.309 5.032 4.550 0.289 0.000 0.172 48 Y C -2.123 173.849 175.900 0.121 0.000 0.896 48 Y CA 0.510 58.672 58.100 0.102 0.000 1.808 48 Y CB 3.322 41.863 38.460 0.136 0.000 1.427 48 Y HN 0.195 8.462 8.280 0.067 0.053 0.334 49 V N -6.645 113.177 119.914 -0.153 0.000 3.181 49 V HA 0.740 4.838 4.120 -0.208 -0.103 0.308 49 V C -1.941 174.134 176.094 -0.032 0.000 1.214 49 V CA -3.048 59.118 62.300 -0.223 0.000 1.053 49 V CB 3.517 35.088 31.823 -0.420 0.000 1.069 49 V HN -0.913 7.335 8.190 0.097 0.000 0.441 50 G N -1.511 107.225 108.800 -0.106 0.000 2.650 50 G HA2 0.715 4.709 3.960 0.057 0.000 0.310 50 G HA3 0.715 4.937 3.960 0.002 -0.261 0.310 50 G C -2.911 171.777 174.900 -0.354 0.000 1.270 50 G CA 0.290 45.343 45.100 -0.079 0.000 0.810 50 G HN 0.072 8.225 8.290 -0.229 0.000 0.493 51 F N -2.511 117.093 119.950 -0.578 0.000 2.629 51 F HA 0.705 5.179 4.527 -0.269 -0.108 0.316 51 F C -2.076 173.541 175.800 -0.305 0.000 1.081 51 F CA -0.934 56.773 58.000 -0.488 0.000 0.954 51 F CB 5.704 44.256 39.000 -0.746 0.000 1.337 51 F HN 0.811 8.786 8.300 -0.358 0.110 0.474 52 E N 0.675 120.902 120.200 0.045 0.000 2.291 52 E HA 0.587 5.037 4.350 -0.093 -0.156 0.276 52 E C -1.855 174.829 176.600 0.140 0.000 0.896 52 E CA -0.494 55.952 56.400 0.077 0.000 0.774 52 E CB 4.260 34.092 29.700 0.221 0.000 1.227 52 E HN 1.026 9.342 8.360 0.100 0.104 0.413 53 M N 5.076 124.731 119.600 0.091 0.000 2.263 53 M HA 0.835 5.546 4.480 0.063 -0.193 0.295 53 M C -1.550 174.611 176.300 -0.232 0.000 1.028 53 M CA -1.068 54.239 55.300 0.011 0.000 0.921 53 M CB 3.612 36.211 32.600 -0.001 0.000 1.601 53 M HN 1.191 9.370 8.290 -0.000 0.111 0.440 54 G N 0.725 109.154 108.800 -0.618 0.000 2.488 54 G HA2 0.711 3.665 3.960 -1.682 0.000 0.301 54 G HA3 0.711 3.060 3.960 -2.794 -0.066 0.301 54 G C -3.182 170.818 174.900 -1.499 0.000 1.339 54 G CA 0.711 44.806 45.100 -1.676 0.000 0.803 54 G HN 0.862 8.945 8.290 -0.345 0.000 0.482 55 Y N -2.701 117.092 120.300 -0.844 0.000 2.328 55 Y HA 0.509 5.085 4.550 -0.114 -0.095 0.333 55 Y C -1.595 174.349 175.900 0.073 0.000 0.958 55 Y CA -1.573 56.383 58.100 -0.239 0.000 1.167 55 Y CB 1.325 39.673 38.460 -0.187 0.000 1.151 55 Y HN 0.684 8.119 8.280 -1.409 0.000 0.470 56 D N 3.634 124.281 120.400 0.411 0.000 2.198 56 D HA 0.606 5.720 4.640 0.520 -0.162 0.245 56 D C -1.100 175.515 176.300 0.525 0.000 1.079 56 D CA 0.080 54.373 54.000 0.489 0.000 0.854 56 D CB 2.245 43.269 40.800 0.374 0.000 1.148 56 D HN 0.134 8.995 8.370 0.331 -0.292 0.456 57 F N -1.488 118.581 119.950 0.199 0.000 2.877 57 F HA 0.417 5.074 4.527 0.216 0.000 0.319 57 F C -3.316 172.591 175.800 0.179 0.000 1.174 57 F CA -1.443 56.676 58.000 0.197 0.000 0.903 57 F CB 2.300 41.413 39.000 0.188 0.000 1.357 57 F HN 0.849 9.246 8.300 0.161 0.000 0.472 58 L N 0.628 121.954 121.223 0.172 0.000 2.388 58 L HA 0.551 4.780 4.340 -0.186 0.000 0.267 58 L C -0.718 176.293 176.870 0.235 0.000 0.995 58 L CA -1.327 53.545 54.840 0.054 0.000 0.864 58 L CB 1.885 44.036 42.059 0.154 0.000 1.216 58 L HN 0.782 9.183 8.230 0.459 0.105 0.430 59 G N 5.925 114.779 108.800 0.090 0.000 3.180 59 G HA2 -0.043 4.170 3.960 0.421 0.000 0.252 59 G HA3 -0.043 4.098 3.960 0.301 0.000 0.252 59 G C -0.360 174.526 174.900 -0.023 0.000 0.871 59 G CA 0.031 45.275 45.100 0.241 0.000 1.979 59 G HN 0.618 8.739 8.290 -0.281 0.000 0.624 60 R N -1.187 119.187 120.500 -0.210 0.000 1.467 60 R HA -0.545 3.453 4.340 -0.570 0.000 0.058 60 R C -0.834 175.393 176.300 -0.120 0.000 0.956 60 R CA 2.884 58.723 56.100 -0.435 0.000 1.821 60 R CB -1.083 28.833 30.300 -0.639 0.000 0.298 60 R HN 0.422 8.595 8.270 -0.012 0.089 0.684 61 M N -1.300 118.259 119.600 -0.067 0.000 2.124 61 M HA 0.442 4.935 4.480 0.022 0.000 0.280 61 M C -2.091 174.232 176.300 0.039 0.000 0.954 61 M CA -2.320 52.993 55.300 0.021 0.000 0.958 61 M CB 2.230 34.880 32.600 0.082 0.000 1.611 61 M HN -0.197 8.002 8.290 -0.093 0.035 0.449 62 P HA -0.022 4.419 4.420 0.035 0.000 0.228 62 P C -0.132 177.219 177.300 0.085 0.000 1.151 62 P CA 1.412 64.536 63.100 0.039 0.000 0.770 62 P CB -0.076 31.620 31.700 -0.007 0.000 0.786 63 Y N -0.524 119.765 120.300 -0.019 0.000 2.315 63 Y HA -0.271 4.274 4.550 -0.008 0.000 0.288 63 Y C 1.276 177.170 175.900 -0.011 0.000 1.154 63 Y CA 1.157 59.249 58.100 -0.012 0.000 1.229 63 Y CB 0.133 38.585 38.460 -0.014 0.000 0.980 63 Y HN -0.479 7.880 8.280 0.222 0.055 0.540 64 K N -3.054 117.269 120.400 -0.129 0.000 3.580 64 K HA -0.449 3.810 4.320 -0.101 0.000 0.288 64 K C -0.281 176.138 176.600 -0.302 0.000 1.160 64 K CA 1.235 57.411 56.287 -0.186 0.000 1.053 64 K CB -1.153 31.260 32.500 -0.145 0.000 1.362 64 K HN 0.238 8.341 8.250 0.012 0.155 0.436 65 G N 0.320 108.718 108.800 -0.670 0.000 2.789 65 G HA2 -0.099 3.661 3.960 -0.333 0.000 0.281 65 G HA3 -0.099 3.334 3.960 -0.878 0.000 0.281 65 G C -0.923 173.933 174.900 -0.073 0.000 0.708 65 G CA 0.218 45.013 45.100 -0.509 0.000 2.067 65 G HN -0.331 7.077 8.290 -1.245 0.135 0.554 66 S N 0.785 116.453 115.700 -0.054 0.000 3.918 66 S HA -0.336 4.121 4.470 -0.021 0.000 0.653 66 S C -2.393 172.210 174.600 0.004 0.000 1.661 66 S CA 0.702 58.902 58.200 -0.001 0.000 1.805 66 S CB 0.546 63.770 63.200 0.040 0.000 0.331 66 S HN 0.036 8.234 8.310 -0.106 0.048 1.611 67 V N -4.457 115.453 119.914 -0.006 0.000 3.159 67 V HA 0.389 4.489 4.120 -0.033 0.000 0.308 67 V C -1.743 174.332 176.094 -0.032 0.000 1.190 67 V CA -1.853 60.421 62.300 -0.044 0.000 1.037 67 V CB 2.157 33.919 31.823 -0.101 0.000 1.060 67 V HN -0.126 8.064 8.190 -0.000 0.000 0.437 68 E N 0.969 121.132 120.200 -0.061 0.000 2.404 68 E HA -0.002 4.367 4.350 0.030 0.000 0.261 68 E C 0.631 177.237 176.600 0.011 0.000 1.074 68 E CA 0.727 57.124 56.400 -0.004 0.000 0.917 68 E CB 1.501 31.223 29.700 0.036 0.000 0.965 68 E HN 0.149 8.328 8.360 -0.124 0.107 0.433 69 N N 3.772 122.521 118.700 0.082 0.000 2.376 69 N HA -0.154 4.623 4.740 0.061 0.000 0.177 69 N C -0.510 175.103 175.510 0.172 0.000 1.024 69 N CA 1.597 54.702 53.050 0.092 0.000 0.893 69 N CB 0.730 39.256 38.487 0.065 0.000 0.980 69 N HN 0.324 8.756 8.380 0.087 0.000 0.439 70 G N -3.195 105.778 108.800 0.288 0.000 2.313 70 G HA2 -0.060 4.118 3.960 0.363 0.000 0.296 70 G HA3 -0.060 4.135 3.960 0.132 -0.156 0.296 70 G C -0.890 174.127 174.900 0.195 0.000 1.356 70 G CA -0.037 45.222 45.100 0.265 0.000 0.833 70 G HN -0.991 7.471 8.290 0.288 0.000 0.552 71 A N -3.024 119.779 122.820 -0.027 0.000 3.790 71 A HA -0.455 4.022 4.320 -0.117 -0.227 0.269 71 A C -1.490 176.069 177.584 -0.042 0.000 1.009 71 A CA 1.356 53.360 52.037 -0.055 0.000 1.029 71 A CB -1.256 17.756 19.000 0.020 0.000 1.060 71 A HN 0.265 8.353 8.150 -0.103 0.000 0.818 72 Y N -3.489 116.862 120.300 0.086 0.000 2.652 72 Y HA -0.232 4.385 4.550 0.111 0.000 0.344 72 Y C 0.465 176.458 175.900 0.155 0.000 1.254 72 Y CA -1.133 57.033 58.100 0.110 0.000 1.480 72 Y CB -0.286 38.230 38.460 0.093 0.000 1.345 72 Y HN -0.808 7.463 8.280 0.221 0.141 0.617 73 K N 3.637 124.214 120.400 0.295 0.000 2.243 73 K HA -0.059 4.486 4.320 0.375 0.000 0.232 73 K C 0.298 177.149 176.600 0.418 0.000 1.237 73 K CA -0.724 55.780 56.287 0.361 0.000 1.161 73 K CB -2.623 30.078 32.500 0.335 0.000 1.505 73 K HN 0.565 9.009 8.250 0.323 0.000 0.271 74 A N 3.534 126.501 122.820 0.245 0.000 1.881 74 A HA -0.302 4.450 4.320 0.719 0.000 0.219 74 A C -0.372 177.414 177.584 0.336 0.000 1.215 74 A CA 2.803 55.050 52.037 0.349 0.000 0.648 74 A CB 0.447 19.484 19.000 0.062 0.000 0.832 74 A HN 0.477 8.522 8.150 -0.063 0.068 0.455 75 Q N -7.483 112.444 119.800 0.212 0.000 2.687 75 Q HA 0.156 4.589 4.340 0.154 0.000 0.295 75 Q C -2.209 173.923 176.000 0.221 0.000 0.920 75 Q CA -0.980 54.902 55.803 0.131 0.000 0.766 75 Q CB 3.620 32.323 28.738 -0.059 0.000 1.467 75 Q HN -0.079 8.267 8.270 0.126 0.000 0.415 76 G N -3.064 105.864 108.800 0.214 0.000 2.495 76 G HA2 0.614 4.745 3.960 0.204 0.000 0.294 76 G HA3 0.614 4.790 3.960 0.356 -0.002 0.294 76 G C -2.524 172.528 174.900 0.254 0.000 1.397 76 G CA 0.291 45.548 45.100 0.260 0.000 0.790 76 G HN 0.037 8.410 8.290 0.137 0.000 0.486 77 V N -2.216 117.823 119.914 0.209 0.000 2.841 77 V HA 0.473 4.821 4.120 0.125 -0.153 0.310 77 V C -2.118 174.033 176.094 0.094 0.000 1.090 77 V CA -1.946 60.443 62.300 0.148 0.000 0.930 77 V CB 3.839 35.752 31.823 0.149 0.000 1.014 77 V HN 0.662 8.867 8.190 0.193 0.101 0.425 78 Q N 3.696 123.524 119.800 0.046 0.000 2.340 78 Q HA 0.753 5.309 4.340 0.091 -0.162 0.268 78 Q C -1.325 174.723 176.000 0.079 0.000 1.031 78 Q CA -1.112 54.750 55.803 0.099 0.000 0.804 78 Q CB 2.930 31.782 28.738 0.191 0.000 1.286 78 Q HN 1.060 9.180 8.270 -0.073 0.106 0.448 79 L N 0.272 121.548 121.223 0.089 0.000 2.406 79 L HA 0.750 5.152 4.340 0.102 0.000 0.270 79 L C -1.795 175.152 176.870 0.128 0.000 0.982 79 L CA -0.940 53.961 54.840 0.103 0.000 0.843 79 L CB 1.445 43.557 42.059 0.089 0.000 1.225 79 L HN 1.159 9.337 8.230 0.087 0.105 0.412 80 T N -0.008 114.632 114.554 0.143 0.000 2.912 80 T HA 0.552 5.049 4.350 0.036 -0.126 0.299 80 T C -1.483 173.177 174.700 -0.065 0.000 1.052 80 T CA -2.292 59.838 62.100 0.050 0.000 0.996 80 T CB 3.171 72.049 68.868 0.015 0.000 1.070 80 T HN 0.858 9.092 8.240 0.162 0.103 0.465 81 A N 3.052 125.637 122.820 -0.392 0.000 2.316 81 A HA 0.334 3.650 4.320 -1.850 -0.106 0.284 81 A C -1.934 175.329 177.584 -0.535 0.000 1.115 81 A CA -1.224 50.199 52.037 -1.024 0.000 0.812 81 A CB 1.429 19.804 19.000 -1.041 0.000 1.064 81 A HN 1.081 9.085 8.150 -0.242 0.000 0.489 82 K N 0.405 120.508 120.400 -0.494 0.000 2.443 82 K HA 0.830 5.088 4.320 -0.320 -0.129 0.251 82 K C -2.225 174.247 176.600 -0.213 0.000 0.972 82 K CA -1.767 54.356 56.287 -0.273 0.000 0.833 82 K CB 4.555 37.031 32.500 -0.040 0.000 1.317 82 K HN 0.851 8.585 8.250 -0.664 0.117 0.441 83 L N 1.922 123.053 121.223 -0.154 0.000 2.409 83 L HA 0.447 4.757 4.340 -0.051 0.000 0.272 83 L C -2.364 174.560 176.870 0.090 0.000 0.980 83 L CA -0.607 54.203 54.840 -0.050 0.000 0.826 83 L CB 3.770 45.786 42.059 -0.071 0.000 1.268 83 L HN 0.870 8.947 8.230 -0.255 0.000 0.407 84 G N 4.599 113.477 108.800 0.129 0.000 2.617 84 G HA2 0.564 4.878 3.960 0.245 0.000 0.306 84 G HA3 0.564 4.585 3.960 0.101 0.000 0.306 84 G C -2.648 172.243 174.900 -0.016 0.000 1.360 84 G CA -0.288 44.898 45.100 0.144 0.000 0.983 84 G HN -0.095 8.223 8.290 0.047 0.000 0.496 85 Y N 0.939 121.252 120.300 0.023 0.000 2.421 85 Y HA 0.387 4.943 4.550 0.011 0.000 0.339 85 Y C -2.462 173.423 175.900 -0.024 0.000 0.996 85 Y CA -2.502 55.602 58.100 0.005 0.000 1.046 85 Y CB 4.734 43.202 38.460 0.013 0.000 1.226 85 Y HN 0.300 8.673 8.280 0.154 0.000 0.445 86 P HA 0.089 4.723 4.420 -0.079 -0.261 0.271 86 P C -0.973 176.343 177.300 0.026 0.000 1.216 86 P CA 0.260 63.344 63.100 -0.027 0.000 0.776 86 P CB 0.589 32.254 31.700 -0.058 0.000 0.881 87 I N -3.442 117.112 120.570 -0.027 0.000 4.082 87 I HA 0.415 4.592 4.170 0.010 0.000 0.337 87 I C -0.358 175.735 176.117 -0.039 0.000 1.352 87 I CA -0.239 61.050 61.300 -0.019 0.000 1.097 87 I CB 1.010 38.996 38.000 -0.023 0.000 1.048 87 I HN 0.595 8.757 8.210 -0.079 0.000 0.393 88 T N 1.220 115.735 114.554 -0.065 0.000 2.749 88 T HA 0.145 4.473 4.350 -0.036 0.000 0.310 88 T C -1.430 173.225 174.700 -0.075 0.000 1.496 88 T CA -0.415 61.649 62.100 -0.060 0.000 1.006 88 T CB 2.456 71.285 68.868 -0.065 0.000 1.457 88 T HN -0.679 7.509 8.240 -0.086 0.000 0.497 89 D N 1.195 121.563 120.400 -0.054 0.000 2.941 89 D HA -0.093 4.509 4.640 -0.062 0.000 0.236 89 D C -1.151 175.112 176.300 -0.062 0.000 1.147 89 D CA 1.103 55.071 54.000 -0.053 0.000 0.975 89 D CB -1.839 38.943 40.800 -0.030 0.000 1.162 89 D HN 0.447 8.794 8.370 -0.038 0.000 0.444 90 D N -1.462 118.868 120.400 -0.117 0.000 2.410 90 D HA 0.061 4.671 4.640 -0.048 0.000 0.218 90 D C -2.143 173.905 176.300 -0.420 0.000 1.359 90 D CA 1.343 55.252 54.000 -0.152 0.000 1.348 90 D CB 2.430 43.167 40.800 -0.105 0.000 1.797 90 D HN 0.191 8.375 8.370 -0.145 0.100 0.409 91 L N -6.553 114.363 121.223 -0.512 0.000 2.415 91 L HA 0.687 4.726 4.340 -0.635 -0.079 0.256 91 L C -2.780 173.895 176.870 -0.325 0.000 1.010 91 L CA -0.909 53.534 54.840 -0.662 0.000 0.826 91 L CB 3.757 45.097 42.059 -1.198 0.000 1.405 91 L HN -0.887 7.138 8.230 -0.342 0.000 0.410 92 D N -0.244 120.003 120.400 -0.254 0.000 2.252 92 D HA 0.623 5.299 4.640 -0.086 -0.088 0.245 92 D C -0.502 175.765 176.300 -0.056 0.000 1.009 92 D CA -0.640 53.286 54.000 -0.124 0.000 0.870 92 D CB 3.875 44.599 40.800 -0.127 0.000 1.251 92 D HN 0.755 8.833 8.370 -0.299 0.112 0.460 93 I N 0.958 121.541 120.570 0.022 0.000 2.396 93 I HA 0.093 4.423 4.170 0.063 -0.122 0.292 93 I C -1.539 174.672 176.117 0.158 0.000 0.999 93 I CA -0.055 61.288 61.300 0.072 0.000 1.310 93 I CB 1.310 39.343 38.000 0.055 0.000 1.404 93 I HN 0.654 8.890 8.210 0.043 0.000 0.496 94 Y N 8.818 129.111 120.300 -0.011 0.000 2.462 94 Y HA 0.843 5.536 4.550 -0.028 -0.160 0.346 94 Y C -1.756 174.147 175.900 0.005 0.000 0.976 94 Y CA -2.268 55.820 58.100 -0.020 0.000 1.044 94 Y CB 4.347 42.782 38.460 -0.042 0.000 1.230 94 Y HN 0.907 9.192 8.280 0.200 0.115 0.455 95 T N 6.967 121.209 114.554 -0.520 0.000 2.932 95 T HA 0.617 4.863 4.350 -0.427 -0.152 0.318 95 T C -2.347 171.971 174.700 -0.637 0.000 1.265 95 T CA -0.231 61.586 62.100 -0.473 0.000 1.036 95 T CB 3.261 72.026 68.868 -0.171 0.000 1.209 95 T HN 1.006 8.908 8.240 -0.564 0.000 0.484 96 R N 1.403 121.633 120.500 -0.450 0.000 2.739 96 R HA 0.940 5.201 4.340 -0.313 -0.108 0.271 96 R C -2.925 173.303 176.300 -0.120 0.000 1.010 96 R CA -1.498 54.410 56.100 -0.320 0.000 0.897 96 R CB 4.278 34.366 30.300 -0.353 0.000 1.236 96 R HN 1.158 9.251 8.270 -0.296 0.000 0.466 97 L N -4.715 116.449 121.223 -0.100 0.000 2.540 97 L HA 0.908 5.428 4.340 0.061 -0.143 0.256 97 L C -2.296 174.560 176.870 -0.025 0.000 1.001 97 L CA -1.198 53.637 54.840 -0.009 0.000 0.843 97 L CB 4.136 46.195 42.059 0.000 0.000 1.436 97 L HN 0.776 8.905 8.230 -0.168 0.000 0.410 98 G N -1.118 107.698 108.800 0.027 0.000 2.591 98 G HA2 0.189 4.172 3.960 0.038 0.000 0.104 98 G HA3 0.189 4.364 3.960 0.053 -0.184 0.104 98 G C -2.248 172.688 174.900 0.059 0.000 1.097 98 G CA 0.959 46.085 45.100 0.043 0.000 1.076 98 G HN 0.642 8.968 8.290 0.059 0.000 0.485 99 G N -1.267 107.574 108.800 0.068 0.000 2.537 99 G HA2 0.997 5.111 3.960 0.057 0.000 0.308 99 G HA3 0.997 4.996 3.960 0.065 0.000 0.308 99 G C -3.037 171.903 174.900 0.066 0.000 1.237 99 G CA -1.454 43.685 45.100 0.064 0.000 0.968 99 G HN 0.436 8.773 8.290 0.079 0.000 0.481 100 M N 0.376 120.014 119.600 0.063 0.000 2.484 100 M HA 1.105 5.820 4.480 0.083 -0.185 0.289 100 M C -2.813 173.540 176.300 0.088 0.000 1.206 100 M CA -1.240 54.104 55.300 0.073 0.000 0.892 100 M CB 4.972 37.602 32.600 0.051 0.000 1.712 100 M HN 1.001 9.325 8.290 0.057 0.000 0.462 101 V N 3.124 123.108 119.914 0.118 0.000 3.007 101 V HA 0.796 5.142 4.120 0.136 -0.144 0.311 101 V C -3.242 172.985 176.094 0.222 0.000 1.120 101 V CA -2.479 59.903 62.300 0.137 0.000 0.980 101 V CB 3.931 35.808 31.823 0.090 0.000 1.033 101 V HN 0.850 9.116 8.190 0.128 0.000 0.429 102 F N 7.788 127.753 119.950 0.024 0.000 2.628 102 F HA 0.688 5.378 4.527 0.045 -0.135 0.309 102 F C -3.206 172.604 175.800 0.017 0.000 1.108 102 F CA -1.465 56.551 58.000 0.027 0.000 0.971 102 F CB 4.025 43.032 39.000 0.013 0.000 1.279 102 F HN 1.010 9.336 8.300 0.196 0.091 0.441 103 R N 4.118 124.123 120.500 -0.825 0.000 2.698 103 R HA 0.745 4.656 4.340 -1.003 -0.173 0.275 103 R C -2.930 172.857 176.300 -0.855 0.000 1.001 103 R CA -1.475 54.105 56.100 -0.866 0.000 0.896 103 R CB 5.215 35.299 30.300 -0.361 0.000 1.218 103 R HN 0.991 8.878 8.270 -0.473 0.099 0.462 104 A N 3.648 126.065 122.820 -0.673 0.000 2.437 104 A HA 0.437 4.691 4.320 -0.337 -0.137 0.293 104 A C -2.437 174.922 177.584 -0.375 0.000 1.038 104 A CA -0.679 51.120 52.037 -0.397 0.000 0.708 104 A CB 3.488 22.408 19.000 -0.133 0.000 1.251 104 A HN 1.019 8.684 8.150 -0.632 0.106 0.409 105 D N 5.347 125.420 120.400 -0.545 0.000 2.348 105 D HA -0.007 4.478 4.640 -0.258 0.000 0.259 105 D C -0.521 175.604 176.300 -0.293 0.000 1.296 105 D CA 0.967 54.723 54.000 -0.406 0.000 0.931 105 D CB 1.045 41.583 40.800 -0.437 0.000 1.067 105 D HN 0.017 7.878 8.370 -0.849 0.000 0.503 106 T N 3.569 118.019 114.554 -0.174 0.000 3.272 106 T HA -0.090 4.382 4.350 -0.124 -0.196 0.250 106 T C -0.392 174.260 174.700 -0.080 0.000 1.082 106 T CA -0.683 61.346 62.100 -0.117 0.000 0.968 106 T CB 0.205 69.015 68.868 -0.096 0.000 1.015 106 T HN -0.083 8.057 8.240 -0.165 0.000 0.563 107 K N 2.521 122.881 120.400 -0.067 0.000 2.367 107 K HA -0.132 4.167 4.320 -0.036 0.000 0.275 107 K C -1.270 175.311 176.600 -0.032 0.000 1.125 107 K CA 1.149 57.415 56.287 -0.034 0.000 1.133 107 K CB -0.422 32.077 32.500 -0.002 0.000 0.875 107 K HN -0.311 7.778 8.250 -0.086 0.109 0.467 108 S N 2.719 118.388 115.700 -0.051 0.000 2.755 108 S HA 0.130 4.572 4.470 -0.046 0.000 0.286 108 S C -0.036 174.495 174.600 -0.115 0.000 1.207 108 S CA -0.633 57.525 58.200 -0.070 0.000 0.892 108 S CB 1.819 64.972 63.200 -0.078 0.000 1.240 108 S HN -0.068 8.207 8.310 -0.058 0.000 0.525 109 N N 3.565 122.157 118.700 -0.180 0.000 2.747 109 N HA -0.060 4.548 4.740 -0.220 0.000 0.252 109 N C 0.756 175.989 175.510 -0.461 0.000 1.352 109 N CA 0.914 53.784 53.050 -0.301 0.000 0.960 109 N CB -1.656 36.615 38.487 -0.361 0.000 1.303 109 N HN 0.184 8.467 8.380 -0.162 0.000 0.518 110 V N -0.586 119.178 119.914 -0.249 0.000 0.669 110 V HA -0.593 3.480 4.120 -0.080 0.000 0.092 110 V C 0.817 176.832 176.094 -0.133 0.000 1.097 110 V CA 3.565 65.778 62.300 -0.145 0.000 3.167 110 V CB -1.545 30.256 31.823 -0.037 0.000 0.362 110 V HN 0.424 8.405 8.190 -0.165 0.110 0.340 111 Y N -1.570 118.718 120.300 -0.020 0.000 2.314 111 Y HA 0.070 4.604 4.550 -0.026 0.000 0.293 111 Y C 1.176 177.058 175.900 -0.030 0.000 1.129 111 Y CA -0.367 57.719 58.100 -0.024 0.000 1.201 111 Y CB -0.197 38.253 38.460 -0.018 0.000 0.999 111 Y HN -0.505 7.465 8.280 -0.515 0.000 0.541 112 G N 1.444 109.927 108.800 -0.529 0.000 3.101 112 G HA2 -0.014 3.893 3.960 -0.089 0.000 0.272 112 G HA3 -0.014 3.716 3.960 -0.383 0.000 0.272 112 G C -2.222 172.571 174.900 -0.180 0.000 0.801 112 G CA -0.297 44.633 45.100 -0.283 0.000 1.978 112 G HN 0.171 7.680 8.290 -1.135 0.100 0.591 113 K N 2.260 122.598 120.400 -0.104 0.000 2.433 113 K HA 0.473 4.747 4.320 -0.077 0.000 0.252 113 K C -1.086 175.470 176.600 -0.073 0.000 1.015 113 K CA -1.947 54.290 56.287 -0.083 0.000 0.860 113 K CB 2.621 35.073 32.500 -0.081 0.000 1.359 113 K HN -0.393 7.776 8.250 -0.071 0.039 0.452 114 N N 0.535 119.209 118.700 -0.043 0.000 2.354 114 N HA -0.058 4.686 4.740 0.008 0.000 0.246 114 N C -0.425 175.046 175.510 -0.065 0.000 1.285 114 N CA -0.222 52.826 53.050 -0.004 0.000 0.925 114 N CB 0.644 39.177 38.487 0.076 0.000 1.174 114 N HN 0.234 8.591 8.380 -0.038 0.000 0.478 115 H N -0.024 119.116 119.070 0.116 0.000 3.026 115 H HA -0.123 4.491 4.556 0.097 0.000 0.289 115 H C -0.371 175.053 175.328 0.160 0.000 1.022 115 H CA 1.401 57.542 56.048 0.155 0.000 1.477 115 H CB 0.125 30.008 29.762 0.203 0.000 1.510 115 H HN -0.382 8.274 8.280 0.269 -0.214 0.535 116 D N -0.705 119.749 120.400 0.090 0.000 2.271 116 D HA -0.033 4.698 4.640 -0.141 -0.176 0.206 116 D C -0.404 175.727 176.300 -0.282 0.000 0.967 116 D CA 1.260 55.200 54.000 -0.100 0.000 0.867 116 D CB 1.812 42.561 40.800 -0.086 0.000 0.960 116 D HN 0.155 8.571 8.370 0.077 0.000 0.509 117 T N -2.500 111.963 114.554 -0.153 0.000 2.894 117 T HA 0.475 4.735 4.350 -0.425 -0.165 0.309 117 T C -1.256 173.497 174.700 0.089 0.000 1.208 117 T CA -1.221 60.770 62.100 -0.182 0.000 1.016 117 T CB 3.500 72.317 68.868 -0.086 0.000 1.192 117 T HN -0.882 7.386 8.240 0.046 0.000 0.491 118 G N 1.403 110.296 108.800 0.154 0.000 2.601 118 G HA2 0.300 4.347 3.960 0.146 0.000 0.291 118 G HA3 0.300 4.466 3.960 0.344 0.000 0.291 118 G C -3.506 171.486 174.900 0.153 0.000 1.456 118 G CA 0.464 45.697 45.100 0.223 0.000 0.804 118 G HN 0.532 8.838 8.290 0.028 0.000 0.499 119 V N 0.224 120.199 119.914 0.100 0.000 2.891 119 V HA 0.894 5.243 4.120 0.092 -0.173 0.304 119 V C -2.412 173.714 176.094 0.053 0.000 1.171 119 V CA -2.262 60.084 62.300 0.076 0.000 0.943 119 V CB 2.847 34.704 31.823 0.057 0.000 1.037 119 V HN 0.276 8.516 8.190 0.084 0.000 0.427 120 S N 6.286 122.013 115.700 0.045 0.000 2.615 120 S HA 0.493 4.981 4.470 0.030 0.000 0.268 120 S C -2.938 171.685 174.600 0.037 0.000 1.146 120 S CA -1.409 56.809 58.200 0.031 0.000 0.818 120 S CB 1.944 65.150 63.200 0.011 0.000 1.111 120 S HN 0.527 8.869 8.310 0.053 0.000 0.465 121 P HA 0.219 4.797 4.420 0.052 -0.127 0.271 121 P C -1.529 175.808 177.300 0.062 0.000 1.233 121 P CA -0.311 62.820 63.100 0.053 0.000 0.789 121 P CB 0.629 32.361 31.700 0.053 0.000 0.951 122 V N -0.484 119.479 119.914 0.081 0.000 3.147 122 V HA 0.393 4.544 4.120 0.052 0.000 0.306 122 V C -2.374 173.816 176.094 0.159 0.000 1.209 122 V CA -1.410 60.928 62.300 0.064 0.000 1.023 122 V CB 3.744 35.567 31.823 -0.000 0.000 1.059 122 V HN 0.327 8.461 8.190 0.082 0.105 0.435 123 F N 1.013 120.933 119.950 -0.050 0.000 2.662 123 F HA 1.046 5.660 4.527 -0.081 -0.135 0.312 123 F C -2.277 173.485 175.800 -0.065 0.000 1.113 123 F CA -2.536 55.423 58.000 -0.068 0.000 0.951 123 F CB 3.381 42.340 39.000 -0.068 0.000 1.344 123 F HN -0.083 8.047 8.300 -0.283 0.000 0.462 124 A N -2.389 120.401 122.820 -0.050 0.000 2.599 124 A HA 0.619 4.933 4.320 -0.232 -0.133 0.290 124 A C -2.753 174.843 177.584 0.021 0.000 1.101 124 A CA -0.620 51.356 52.037 -0.101 0.000 0.674 124 A CB 3.775 22.698 19.000 -0.129 0.000 1.277 124 A HN 0.880 9.084 8.150 0.090 0.000 0.419 125 G N -3.791 105.055 108.800 0.078 0.000 2.608 125 G HA2 0.792 4.727 3.960 -0.117 0.000 0.291 125 G HA3 0.792 4.796 3.960 0.063 -0.006 0.291 125 G C -2.225 172.764 174.900 0.148 0.000 1.425 125 G CA -0.340 44.787 45.100 0.046 0.000 0.787 125 G HN 0.266 8.632 8.290 0.127 0.000 0.484 126 G N -1.456 107.431 108.800 0.145 0.000 2.341 126 G HA2 0.277 4.293 3.960 0.092 0.000 0.059 126 G HA3 0.277 4.496 3.960 0.144 -0.172 0.059 126 G C -2.382 172.608 174.900 0.151 0.000 0.897 126 G CA 1.118 46.300 45.100 0.138 0.000 1.142 126 G HN 0.474 8.725 8.290 0.119 0.110 0.433 127 V N -4.016 115.989 119.914 0.151 0.000 3.078 127 V HA 0.869 5.176 4.120 0.102 -0.126 0.311 127 V C -2.953 173.145 176.094 0.007 0.000 1.138 127 V CA -3.276 59.078 62.300 0.090 0.000 1.007 127 V CB 4.202 36.056 31.823 0.052 0.000 1.045 127 V HN 0.628 8.908 8.190 0.149 0.000 0.432 128 E N 0.909 121.039 120.200 -0.117 0.000 2.288 128 E HA 0.664 5.025 4.350 -0.194 -0.127 0.268 128 E C -2.498 174.013 176.600 -0.149 0.000 0.885 128 E CA -1.952 54.304 56.400 -0.240 0.000 0.767 128 E CB 4.813 34.178 29.700 -0.559 0.000 1.220 128 E HN 0.451 8.647 8.360 -0.098 0.105 0.427 129 Y N 4.255 124.447 120.300 -0.180 0.000 2.396 129 Y HA 0.317 4.805 4.550 -0.103 0.000 0.332 129 Y C -2.203 173.623 175.900 -0.123 0.000 1.034 129 Y CA -1.007 57.020 58.100 -0.122 0.000 1.057 129 Y CB 4.650 43.055 38.460 -0.091 0.000 1.220 129 Y HN 1.044 9.217 8.280 -0.020 0.095 0.440 130 A N 6.685 129.566 122.820 0.103 0.000 2.401 130 A HA 0.180 4.494 4.320 -0.009 0.000 0.259 130 A C -1.732 175.934 177.584 0.136 0.000 1.103 130 A CA -0.116 51.955 52.037 0.056 0.000 0.789 130 A CB 0.870 19.863 19.000 -0.012 0.000 1.035 130 A HN 0.601 8.747 8.150 -0.007 0.000 0.491 131 I N 1.551 122.151 120.570 0.050 0.000 3.718 131 I HA 0.211 4.408 4.170 0.044 0.000 0.297 131 I C 0.006 176.135 176.117 0.020 0.000 1.220 131 I CA -0.099 61.221 61.300 0.033 0.000 1.381 131 I CB 0.758 38.765 38.000 0.011 0.000 1.238 131 I HN 0.624 8.838 8.210 0.007 0.000 0.448 132 T N 0.121 114.676 114.554 0.002 0.000 2.840 132 T HA 0.360 4.710 4.350 0.001 0.000 0.317 132 T C -1.905 172.770 174.700 -0.042 0.000 1.401 132 T CA -1.612 60.485 62.100 -0.005 0.000 1.028 132 T CB 1.503 70.380 68.868 0.014 0.000 1.317 132 T HN -0.484 7.747 8.240 -0.016 0.000 0.495 133 P HA -0.095 4.287 4.420 -0.063 0.000 0.234 133 P C -0.481 176.751 177.300 -0.114 0.000 1.162 133 P CA 1.762 64.824 63.100 -0.064 0.000 0.759 133 P CB 0.014 31.691 31.700 -0.038 0.000 0.813 134 E N -4.520 115.569 120.200 -0.184 0.000 2.601 134 E HA 0.198 4.361 4.350 -0.313 0.000 0.219 134 E C -1.519 174.677 176.600 -0.672 0.000 0.964 134 E CA -1.355 54.809 56.400 -0.394 0.000 1.050 134 E CB -0.417 29.051 29.700 -0.386 0.000 1.068 134 E HN 0.478 8.689 8.360 -0.145 0.062 0.496 135 I N -0.273 120.095 120.570 -0.336 0.000 2.647 135 I HA 0.705 4.895 4.170 -0.224 -0.154 0.295 135 I C -2.980 173.093 176.117 -0.073 0.000 1.078 135 I CA -1.970 59.230 61.300 -0.167 0.000 1.048 135 I CB 3.746 41.790 38.000 0.074 0.000 1.239 135 I HN 0.149 8.127 8.210 -0.193 0.116 0.421 136 A N 6.132 128.927 122.820 -0.042 0.000 2.564 136 A HA 1.055 5.470 4.320 -0.024 -0.110 0.288 136 A C -1.900 175.670 177.584 -0.024 0.000 1.164 136 A CA -1.351 50.655 52.037 -0.052 0.000 0.712 136 A CB 4.136 23.051 19.000 -0.142 0.000 1.303 136 A HN 1.039 9.085 8.150 -0.000 0.103 0.418 137 T N -3.840 110.701 114.554 -0.021 0.000 2.916 137 T HA 0.852 5.304 4.350 -0.034 -0.123 0.292 137 T C -1.171 173.495 174.700 -0.057 0.000 1.064 137 T CA -2.109 59.972 62.100 -0.032 0.000 1.011 137 T CB 3.238 72.080 68.868 -0.043 0.000 1.152 137 T HN 0.712 8.959 8.240 0.011 0.000 0.510 138 R N -1.610 118.843 120.500 -0.079 0.000 2.774 138 R HA 0.606 4.990 4.340 -0.059 -0.080 0.272 138 R C -2.465 173.819 176.300 -0.028 0.000 1.000 138 R CA -1.401 54.640 56.100 -0.098 0.000 0.906 138 R CB 3.968 34.106 30.300 -0.269 0.000 1.227 138 R HN 0.853 8.987 8.270 -0.057 0.101 0.468 139 L N 0.183 121.418 121.223 0.020 0.000 2.441 139 L HA 0.716 5.236 4.340 0.037 -0.158 0.270 139 L C -1.817 175.114 176.870 0.101 0.000 0.973 139 L CA 0.064 54.933 54.840 0.049 0.000 0.842 139 L CB 3.039 45.124 42.059 0.043 0.000 1.239 139 L HN 0.842 9.089 8.230 0.029 0.000 0.406 140 E N 1.484 121.754 120.200 0.115 0.000 2.367 140 E HA 0.741 5.359 4.350 0.186 -0.157 0.273 140 E C -2.745 173.976 176.600 0.200 0.000 0.903 140 E CA -2.206 54.290 56.400 0.160 0.000 0.764 140 E CB 4.498 34.288 29.700 0.151 0.000 1.252 140 E HN 0.990 9.403 8.360 0.089 0.000 0.446 141 Y N 0.847 121.162 120.300 0.025 0.000 2.534 141 Y HA 0.693 5.430 4.550 0.032 -0.167 0.345 141 Y C -2.668 173.228 175.900 -0.007 0.000 1.031 141 Y CA -1.313 56.807 58.100 0.033 0.000 1.022 141 Y CB 4.721 43.220 38.460 0.065 0.000 1.292 141 Y HN 0.922 9.245 8.280 0.264 0.115 0.459 142 Q N 5.505 125.059 119.800 -0.411 0.000 2.269 142 Q HA 0.375 4.453 4.340 -0.436 0.000 0.263 142 Q C -2.959 172.755 176.000 -0.475 0.000 0.983 142 Q CA -1.177 54.313 55.803 -0.523 0.000 0.777 142 Q CB 4.255 32.596 28.738 -0.661 0.000 1.273 142 Q HN 0.708 8.644 8.270 -0.556 0.000 0.440 143 F N 4.917 124.651 119.950 -0.361 0.000 2.599 143 F HA 0.513 4.865 4.527 -0.292 0.000 0.311 143 F C -2.341 173.487 175.800 0.046 0.000 1.076 143 F CA -1.157 56.694 58.000 -0.248 0.000 0.937 143 F CB 3.434 42.255 39.000 -0.298 0.000 1.282 143 F HN 0.126 8.536 8.300 0.183 0.000 0.460 144 T N 2.342 116.208 114.554 -1.146 0.000 2.792 144 T HA 0.127 3.539 4.350 -1.563 0.000 0.303 144 T C -1.545 172.406 174.700 -1.248 0.000 1.310 144 T CA -1.712 59.634 62.100 -1.257 0.000 1.007 144 T CB 1.425 70.031 68.868 -0.437 0.000 1.335 144 T HN 0.221 7.876 8.240 -0.975 0.000 0.504 145 N N 3.037 121.311 118.700 -0.709 0.000 2.671 145 N HA -0.060 4.738 4.740 -0.131 -0.136 0.274 145 N C -0.752 174.620 175.510 -0.231 0.000 1.188 145 N CA 0.316 53.210 53.050 -0.259 0.000 1.065 145 N CB -0.560 37.887 38.487 -0.067 0.000 1.415 145 N HN 0.188 8.232 8.380 -0.561 0.000 0.511 146 N N 1.449 119.987 118.700 -0.269 0.000 2.232 146 N HA -0.292 4.259 4.740 -0.315 0.000 0.251 146 N C 0.266 175.606 175.510 -0.283 0.000 1.242 146 N CA 1.523 54.378 53.050 -0.325 0.000 0.837 146 N CB 0.501 38.713 38.487 -0.458 0.000 1.079 146 N HN -0.354 7.807 8.380 -0.285 0.048 0.461 147 I N 2.276 122.684 120.570 -0.271 0.000 2.967 147 I HA -0.006 4.048 4.170 -0.194 0.000 0.284 147 I C 0.335 176.249 176.117 -0.339 0.000 1.145 147 I CA -0.833 60.329 61.300 -0.230 0.000 1.704 147 I CB -2.277 35.634 38.000 -0.149 0.000 1.385 147 I HN 0.513 8.976 8.210 -0.264 -0.411 0.673 148 G N 2.662 111.141 108.800 -0.535 0.000 2.195 148 G HA2 -0.280 3.113 3.960 -1.196 0.000 0.264 148 G HA3 -0.280 2.696 3.960 -1.640 0.000 0.264 148 G C -1.191 173.284 174.900 -0.709 0.000 1.148 148 G CA -0.188 44.241 45.100 -1.119 0.000 1.023 148 G HN -0.367 7.545 8.290 -0.447 0.110 0.429 149 D N 0.943 121.075 120.400 -0.447 0.000 2.368 149 D HA -0.235 4.321 4.640 -0.139 0.000 0.268 149 D C -1.451 174.862 176.300 0.022 0.000 1.298 149 D CA 0.476 54.383 54.000 -0.154 0.000 0.938 149 D CB -0.107 40.622 40.800 -0.118 0.000 1.101 149 D HN -0.152 8.045 8.370 -0.469 -0.109 0.509 150 A N 2.688 125.515 122.820 0.011 0.000 2.581 150 A HA 0.219 4.749 4.320 0.013 -0.202 0.290 150 A C -2.310 175.291 177.584 0.028 0.000 1.119 150 A CA -1.258 50.814 52.037 0.057 0.000 0.670 150 A CB 3.275 22.375 19.000 0.168 0.000 1.280 150 A HN -0.150 7.975 8.150 -0.042 0.000 0.425 151 H N 0.073 119.138 119.070 -0.008 0.000 3.070 151 H HA -0.248 4.307 4.556 -0.001 0.000 0.313 151 H C 0.075 175.406 175.328 0.005 0.000 0.997 151 H CA 1.851 57.899 56.048 -0.000 0.000 1.438 151 H CB 0.349 30.113 29.762 0.003 0.000 1.455 151 H HN 0.413 8.688 8.280 0.164 0.103 0.575 152 T N 4.942 119.142 114.554 -0.589 0.000 3.247 152 T HA -0.304 3.859 4.350 -0.312 0.000 0.434 152 T C 0.471 175.089 174.700 -0.137 0.000 0.770 152 T CA 0.700 62.573 62.100 -0.379 0.000 2.236 152 T CB -1.524 67.076 68.868 -0.447 0.000 1.678 152 T HN 0.509 8.379 8.240 -0.617 0.000 0.645 153 I N -0.633 119.874 120.570 -0.106 0.000 3.102 153 I HA -0.155 3.992 4.170 -0.039 0.000 0.278 153 I C 1.278 177.366 176.117 -0.048 0.000 1.316 153 I CA 1.774 63.034 61.300 -0.067 0.000 1.425 153 I CB -0.546 37.401 38.000 -0.088 0.000 1.073 153 I HN 0.565 8.697 8.210 -0.130 0.000 0.503 154 G N 0.812 109.589 108.800 -0.038 0.000 2.440 154 G HA2 -0.252 3.698 3.960 -0.017 0.000 0.218 154 G HA3 -0.252 3.701 3.960 -0.011 0.000 0.218 154 G C -0.002 174.907 174.900 0.014 0.000 1.154 154 G CA 1.566 46.658 45.100 -0.014 0.000 0.767 154 G HN 0.122 8.284 8.290 -0.052 0.097 0.552 155 T N 5.354 119.926 114.554 0.030 0.000 2.978 155 T HA -0.031 4.355 4.350 0.059 0.000 0.278 155 T C -0.831 173.934 174.700 0.109 0.000 0.945 155 T CA 1.978 64.118 62.100 0.065 0.000 1.070 155 T CB -1.295 67.621 68.868 0.081 0.000 0.948 155 T HN -0.058 8.075 8.240 0.012 0.114 0.617 156 R N 4.935 125.506 120.500 0.119 0.000 2.837 156 R HA 0.284 4.832 4.340 0.347 0.000 0.271 156 R C -1.302 175.094 176.300 0.159 0.000 0.993 156 R CA -2.347 53.884 56.100 0.219 0.000 0.931 156 R CB 0.703 31.088 30.300 0.142 0.000 1.206 156 R HN -0.529 7.794 8.270 0.088 0.000 0.474 157 P HA 0.005 4.487 4.420 0.103 0.000 0.229 157 P C -0.933 176.463 177.300 0.160 0.000 1.160 157 P CA 0.387 63.567 63.100 0.133 0.000 0.777 157 P CB 0.278 32.054 31.700 0.126 0.000 0.814 158 D N -3.878 116.631 120.400 0.181 0.000 2.860 158 D HA -0.397 4.372 4.640 0.216 0.000 0.229 158 D C -1.989 174.532 176.300 0.367 0.000 1.169 158 D CA 1.664 55.813 54.000 0.248 0.000 0.737 158 D CB -0.771 40.166 40.800 0.228 0.000 1.080 158 D HN 0.264 8.685 8.370 0.173 0.053 0.424 159 N N -2.873 116.014 118.700 0.312 0.000 2.392 159 N HA 0.133 5.157 4.740 0.472 0.000 0.283 159 N C -0.316 175.396 175.510 0.337 0.000 1.003 159 N CA -0.640 52.639 53.050 0.381 0.000 0.892 159 N CB 1.794 40.465 38.487 0.307 0.000 1.193 159 N HN -0.549 7.946 8.380 0.239 0.028 0.487 160 G N 2.498 111.480 108.800 0.303 0.000 2.653 160 G HA2 0.283 4.246 3.960 0.006 0.000 0.265 160 G HA3 0.283 4.036 3.960 -0.548 -0.122 0.265 160 G C -0.504 174.382 174.900 -0.024 0.000 1.237 160 G CA -0.671 44.375 45.100 -0.089 0.000 0.946 160 G HN 0.028 8.631 8.290 0.520 0.000 0.522 161 M N -2.494 117.036 119.600 -0.116 0.000 2.241 161 M HA 0.081 4.679 4.480 0.041 -0.093 0.335 161 M C -1.492 174.859 176.300 0.085 0.000 1.122 161 M CA 1.280 56.567 55.300 -0.022 0.000 1.164 161 M CB 1.788 34.330 32.600 -0.096 0.000 1.459 161 M HN 0.177 8.330 8.290 -0.229 0.000 0.461 162 L N 0.684 122.041 121.223 0.223 0.000 2.409 162 L HA 0.904 5.587 4.340 0.322 -0.150 0.262 162 L C -2.204 174.775 176.870 0.181 0.000 0.992 162 L CA -1.219 53.796 54.840 0.292 0.000 0.817 162 L CB 4.424 46.704 42.059 0.369 0.000 1.350 162 L HN 0.795 9.146 8.230 0.202 0.000 0.411 163 S N 1.903 117.681 115.700 0.131 0.000 2.588 163 S HA 0.870 5.496 4.470 0.104 -0.094 0.275 163 S C -2.242 172.394 174.600 0.059 0.000 1.130 163 S CA -1.426 56.825 58.200 0.086 0.000 0.855 163 S CB 3.480 66.711 63.200 0.051 0.000 1.116 163 S HN 0.954 9.349 8.310 0.143 0.000 0.472 164 L N -5.783 115.464 121.223 0.039 0.000 2.465 164 L HA 1.018 5.521 4.340 0.008 -0.158 0.257 164 L C -1.920 174.957 176.870 0.012 0.000 0.988 164 L CA -1.469 53.382 54.840 0.017 0.000 0.827 164 L CB 3.855 45.922 42.059 0.014 0.000 1.397 164 L HN 0.860 9.118 8.230 0.047 0.000 0.410 165 G N -1.941 106.857 108.800 -0.003 0.000 2.600 165 G HA2 0.749 4.723 3.960 0.034 0.000 0.293 165 G HA3 0.749 4.807 3.960 0.019 -0.088 0.293 165 G C -2.801 172.104 174.900 0.008 0.000 1.408 165 G CA 0.312 45.421 45.100 0.015 0.000 0.782 165 G HN 0.592 8.872 8.290 -0.017 0.000 0.482 166 V N -5.202 114.737 119.914 0.042 0.000 2.973 166 V HA 0.903 5.185 4.120 0.023 -0.148 0.314 166 V C -1.120 175.020 176.094 0.077 0.000 1.066 166 V CA -2.966 59.366 62.300 0.052 0.000 1.021 166 V CB 2.073 33.944 31.823 0.080 0.000 1.076 166 V HN 0.336 8.568 8.190 0.069 0.000 0.462 167 S N 0.022 115.767 115.700 0.075 0.000 2.588 167 S HA 0.554 5.245 4.470 0.198 -0.102 0.275 167 S C -2.212 172.495 174.600 0.177 0.000 1.130 167 S CA -1.089 57.184 58.200 0.122 0.000 0.855 167 S CB 3.355 66.550 63.200 -0.008 0.000 1.116 167 S HN 0.480 8.729 8.310 0.056 0.095 0.472 168 Y N 1.737 122.116 120.300 0.132 0.000 2.504 168 Y HA 0.496 5.268 4.550 0.088 -0.169 0.344 168 Y C -2.186 173.839 175.900 0.207 0.000 1.023 168 Y CA -0.932 57.247 58.100 0.132 0.000 1.020 168 Y CB 4.683 43.218 38.460 0.126 0.000 1.282 168 Y HN 1.011 9.390 8.280 0.341 0.106 0.454 169 R N 3.744 124.135 120.500 -0.183 0.000 2.528 169 R HA 0.119 4.723 4.340 0.301 -0.083 0.271 169 R C -0.667 175.819 176.300 0.310 0.000 1.056 169 R CA -1.036 55.135 56.100 0.117 0.000 1.117 169 R CB 1.923 32.221 30.300 -0.005 0.000 1.085 169 R HN 0.693 8.367 8.270 -0.822 0.102 0.530 170 F N 3.672 123.803 119.950 0.302 0.000 2.533 170 F HA -0.104 4.615 4.527 0.321 0.000 0.378 170 F C -0.399 175.518 175.800 0.195 0.000 1.070 170 F CA 0.666 58.845 58.000 0.298 0.000 1.172 170 F CB 0.926 40.138 39.000 0.354 0.000 1.085 170 F HN 0.551 9.102 8.300 0.598 0.108 0.552 171 G N 5.217 113.882 108.800 -0.225 0.000 2.489 171 G HA2 -0.133 3.812 3.960 -0.025 0.000 0.271 171 G HA3 -0.133 3.756 3.960 -0.119 0.000 0.271 171 G C -1.524 173.230 174.900 -0.243 0.000 1.427 171 G CA -0.402 44.605 45.100 -0.157 0.000 1.057 171 G HN 0.094 8.216 8.290 -0.281 0.000 0.532 172 Q N -4.226 115.506 119.800 -0.113 0.000 3.197 172 Q HA -0.417 3.906 4.340 -0.028 0.000 0.025 172 Q C 0.140 176.168 176.000 0.047 0.000 1.701 172 Q CA 0.375 56.147 55.803 -0.051 0.000 0.234 172 Q CB 0.568 29.241 28.738 -0.109 0.000 1.166 172 Q HN 0.159 8.387 8.270 -0.070 0.000 0.321 173 G N 0.316 109.150 108.800 0.056 0.000 2.283 173 G HA2 -0.272 3.723 3.960 0.060 0.000 0.280 173 G HA3 -0.272 3.752 3.960 0.107 0.000 0.280 173 G C -1.774 173.170 174.900 0.073 0.000 1.029 173 G CA 0.545 45.691 45.100 0.077 0.000 0.840 173 G HN 0.301 8.612 8.290 0.035 0.000 0.505 174 E N -1.964 118.269 120.200 0.055 0.000 2.317 174 E HA 0.195 4.581 4.350 0.060 0.000 0.270 174 E C -1.914 174.707 176.600 0.035 0.000 0.885 174 E CA -1.507 54.924 56.400 0.052 0.000 0.760 174 E CB 1.702 31.435 29.700 0.055 0.000 1.227 174 E HN -0.215 8.170 8.360 0.042 0.000 0.434 175 A N 4.304 127.144 122.820 0.032 0.000 2.612 175 A HA 0.225 4.558 4.320 0.021 0.000 0.293 175 A C -0.822 176.775 177.584 0.022 0.000 1.075 175 A CA -0.476 51.575 52.037 0.024 0.000 0.680 175 A CB 1.393 20.406 19.000 0.023 0.000 1.279 175 A HN 0.177 8.349 8.150 0.037 0.000 0.411 176 A N 0.000 122.830 122.820 0.016 0.000 2.254 176 A HA 0.000 4.327 4.320 0.012 0.000 0.244 176 A CA 0.000 52.045 52.037 0.013 0.000 0.836 176 A CB 0.000 19.006 19.000 0.010 0.000 0.831 176 A HN 0.000 8.159 8.150 0.015 0.000 0.486