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 1t0v_1_A DATA FIRST_RESID 1 DATA SEQUENCE DVYHDGAcPE VKPVDNFDWS QYHGKWWEVA KYPSPNGKYG KcGWAEYTPE DATA SEQUENCE GKSVKVSRYD VIHGKEYFME GTAYPVGDSK IGKIYHSRTV GGYTKKTVFN DATA SEQUENCE VLSTDNKNYI IGYScRYDED KKGHWDHVWV LSRSMVLTGE AKTAVENYLI DATA SEQUENCE GSPVVDSQKL VYSDFSEAAc KVNNSNWSHP QFEK 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 D HA 0.000 4.744 4.640 0.173 0.000 0.175 1 D C 0.000 176.425 176.300 0.209 0.000 2.045 1 D CA 0.000 54.100 54.000 0.166 0.000 0.868 1 D CB 0.000 40.888 40.800 0.147 0.000 0.688 2 V N -1.102 118.997 119.914 0.310 0.000 2.419 2 V HA 0.448 4.677 4.120 0.182 0.000 0.287 2 V C -2.406 173.896 176.094 0.346 0.000 1.017 2 V CA -0.406 62.058 62.300 0.274 0.000 0.844 2 V CB 0.925 32.854 31.823 0.176 0.000 1.011 2 V HN -0.158 8.290 8.190 0.431 0.000 0.429 3 Y N 7.406 127.589 120.300 -0.196 0.000 2.468 3 Y HA 0.615 4.787 4.550 -0.844 -0.128 0.342 3 Y C -1.175 174.277 175.900 -0.746 0.000 1.021 3 Y CA -1.967 55.744 58.100 -0.649 0.000 1.079 3 Y CB 2.058 40.045 38.460 -0.789 0.000 1.226 3 Y HN 0.079 8.334 8.280 -0.043 0.000 0.460 4 H N 2.984 121.230 119.070 -1.373 0.000 2.960 4 H HA 0.166 4.227 4.556 -0.824 0.000 0.323 4 H C -2.534 172.103 175.328 -1.151 0.000 1.326 4 H CA -1.214 54.182 56.048 -1.087 0.000 1.124 4 H CB 4.233 33.573 29.762 -0.703 0.000 1.853 4 H HN 0.388 7.783 8.280 -1.475 0.000 0.536 5 D N -1.585 118.566 120.400 -0.414 0.000 2.181 5 D HA 0.063 4.506 4.640 -0.329 0.000 0.248 5 D C 0.192 176.575 176.300 0.139 0.000 1.020 5 D CA 0.081 53.962 54.000 -0.197 0.000 0.891 5 D CB 1.263 41.980 40.800 -0.138 0.000 1.187 5 D HN 0.059 8.300 8.370 -0.214 0.000 0.443 6 G N 1.058 109.988 108.800 0.216 0.000 2.498 6 G HA2 -0.352 3.784 3.960 0.294 0.000 0.245 6 G HA3 -0.352 3.707 3.960 0.166 0.000 0.245 6 G C -2.108 173.011 174.900 0.365 0.000 1.204 6 G CA -0.260 45.007 45.100 0.279 0.000 0.933 6 G HN 0.022 8.403 8.290 0.152 0.000 0.574 7 A N 0.146 122.968 122.820 0.003 0.000 2.637 7 A HA 0.246 4.370 4.320 -0.326 0.000 0.258 7 A C -0.694 176.448 177.584 -0.736 0.000 1.250 7 A CA -1.535 50.301 52.037 -0.335 0.000 0.931 7 A CB 2.234 21.140 19.000 -0.156 0.000 1.488 7 A HN -0.077 8.071 8.150 -0.002 0.000 0.464 8 c N 0.740 119.033 118.600 -0.511 0.000 2.494 8 c HA -0.210 4.204 4.570 -0.261 0.000 0.399 8 c C -0.638 173.391 174.090 -0.102 0.000 1.388 8 c CA 0.436 56.623 56.329 -0.238 0.000 1.657 8 c CB -0.163 42.330 42.510 -0.030 0.000 2.585 8 c HN 0.380 8.414 8.230 -0.327 0.000 0.601 9 P HA 0.083 4.499 4.420 -0.007 0.000 0.297 9 P C -1.652 175.606 177.300 -0.071 0.000 1.303 9 P CA -0.630 62.460 63.100 -0.016 0.000 0.753 9 P CB 0.728 32.418 31.700 -0.017 0.000 1.281 10 E N -0.518 119.628 120.200 -0.090 0.000 2.217 10 E HA -0.056 4.246 4.350 -0.081 0.000 0.279 10 E C -0.706 175.797 176.600 -0.161 0.000 1.068 10 E CA 0.485 56.825 56.400 -0.101 0.000 0.882 10 E CB -0.281 29.373 29.700 -0.076 0.000 1.039 10 E HN 0.104 8.419 8.360 -0.076 0.000 0.418 11 V N 1.062 120.886 119.914 -0.150 0.000 2.577 11 V HA 0.223 4.230 4.120 -0.189 0.000 0.294 11 V C -1.808 174.209 176.094 -0.129 0.000 1.052 11 V CA -1.826 60.365 62.300 -0.181 0.000 0.891 11 V CB 1.875 33.534 31.823 -0.273 0.000 1.017 11 V HN -0.056 8.068 8.190 -0.111 0.000 0.436 12 K N 6.338 126.668 120.400 -0.116 0.000 2.338 12 K HA 0.173 4.436 4.320 -0.096 0.000 0.290 12 K C -1.163 175.355 176.600 -0.137 0.000 1.069 12 K CA -1.855 54.368 56.287 -0.106 0.000 0.941 12 K CB 0.691 33.138 32.500 -0.088 0.000 1.023 12 K HN 0.312 8.494 8.250 -0.113 0.000 0.477 13 P HA 0.048 4.403 4.420 -0.255 -0.088 0.275 13 P C -0.603 176.553 177.300 -0.241 0.000 1.266 13 P CA -1.160 61.813 63.100 -0.212 0.000 0.793 13 P CB 0.837 32.431 31.700 -0.176 0.000 1.074 14 V N -5.292 114.397 119.914 -0.375 0.000 2.720 14 V HA -0.250 3.689 4.120 -0.339 -0.022 0.307 14 V C 1.396 177.345 176.094 -0.242 0.000 1.071 14 V CA 0.314 62.371 62.300 -0.406 0.000 1.199 14 V CB -0.110 31.237 31.823 -0.792 0.000 0.900 14 V HN 0.303 8.122 8.190 -0.491 0.077 0.494 15 D N 3.910 124.203 120.400 -0.178 0.000 2.117 15 D HA -0.326 4.254 4.640 -0.099 0.000 0.198 15 D C -0.774 175.470 176.300 -0.092 0.000 0.982 15 D CA 2.464 56.397 54.000 -0.112 0.000 0.828 15 D CB 0.077 40.825 40.800 -0.086 0.000 0.967 15 D HN 0.783 9.045 8.370 -0.179 0.000 0.464 16 N N -3.291 115.346 118.700 -0.106 0.000 2.701 16 N HA -0.046 4.788 4.740 -0.049 -0.124 0.258 16 N C -1.724 173.749 175.510 -0.062 0.000 1.262 16 N CA -1.291 51.719 53.050 -0.067 0.000 0.780 16 N CB 0.334 38.792 38.487 -0.048 0.000 1.380 16 N HN -0.825 7.471 8.380 -0.140 0.000 0.548 17 F N 2.899 122.701 119.950 -0.247 0.000 2.538 17 F HA -0.117 4.214 4.527 -0.327 0.000 0.371 17 F C -0.727 174.748 175.800 -0.542 0.000 1.087 17 F CA 0.911 58.667 58.000 -0.407 0.000 1.250 17 F CB 0.481 39.163 39.000 -0.530 0.000 1.110 17 F HN -0.419 7.898 8.300 0.027 0.000 0.570 18 D N 5.897 126.214 120.400 -0.139 0.000 2.629 18 D HA 0.203 4.608 4.640 -0.392 0.000 0.250 18 D C -0.767 175.315 176.300 -0.364 0.000 1.126 18 D CA -1.005 52.819 54.000 -0.294 0.000 0.852 18 D CB 2.553 43.304 40.800 -0.081 0.000 1.335 18 D HN 0.268 8.751 8.370 0.189 0.000 0.518 19 W N 2.904 124.118 121.300 -0.143 0.000 3.345 19 W HA 0.200 4.706 4.660 -0.477 -0.132 0.282 19 W C 0.172 176.507 176.519 -0.307 0.000 1.302 19 W CA -0.690 56.464 57.345 -0.320 0.000 1.724 19 W CB -0.729 28.527 29.460 -0.339 0.000 1.104 19 W HN 0.407 8.387 8.180 -0.334 0.000 0.694 20 S N -1.103 114.556 115.700 -0.068 0.000 2.377 20 S HA -0.397 4.025 4.470 -0.080 0.000 0.224 20 S C 1.119 175.516 174.600 -0.339 0.000 1.042 20 S CA 3.113 61.239 58.200 -0.124 0.000 1.086 20 S CB 0.207 63.378 63.200 -0.048 0.000 0.995 20 S HN -0.489 7.853 8.310 -0.058 -0.066 0.428 21 Q N -3.186 116.501 119.800 -0.189 0.000 2.287 21 Q HA -0.034 4.159 4.340 -0.246 0.000 0.201 21 Q C 0.555 176.563 176.000 0.013 0.000 0.946 21 Q CA 0.271 55.999 55.803 -0.124 0.000 0.868 21 Q CB 0.182 28.959 28.738 0.065 0.000 0.967 21 Q HN -0.077 8.156 8.270 -0.062 0.000 0.516 22 Y N 4.784 125.068 120.300 -0.026 0.000 2.601 22 Y HA -0.346 4.328 4.550 0.206 0.000 0.349 22 Y C -2.306 173.504 175.900 -0.150 0.000 1.274 22 Y CA 0.505 58.571 58.100 -0.058 0.000 1.863 22 Y CB -2.681 35.678 38.460 -0.168 0.000 1.629 22 Y HN -0.353 8.046 8.280 0.199 0.000 0.439 23 H N -1.218 117.855 119.070 0.004 0.000 2.886 23 H HA 0.080 4.025 4.556 -1.018 0.000 0.259 23 H C -1.338 174.080 175.328 0.150 0.000 1.492 23 H CA -1.318 54.557 56.048 -0.288 0.000 1.163 23 H CB 1.395 31.077 29.762 -0.134 0.000 1.872 23 H HN 0.048 8.771 8.280 0.749 0.006 0.631 24 G N -1.210 107.622 108.800 0.052 0.000 2.498 24 G HA2 -0.504 3.386 3.960 -0.118 0.000 0.251 24 G HA3 -0.504 3.502 3.960 0.077 0.000 0.251 24 G C -1.741 173.311 174.900 0.254 0.000 1.170 24 G CA 0.249 45.379 45.100 0.051 0.000 0.944 24 G HN 0.160 8.419 8.290 -0.052 0.000 0.567 25 K N 3.631 124.115 120.400 0.140 0.000 2.213 25 K HA 0.751 5.454 4.320 0.163 -0.285 0.270 25 K C -0.727 175.815 176.600 -0.097 0.000 1.002 25 K CA -1.087 55.204 56.287 0.007 0.000 0.868 25 K CB 1.845 34.213 32.500 -0.219 0.000 1.093 25 K HN 0.042 8.307 8.250 0.025 0.000 0.454 26 W N 4.891 126.022 121.300 -0.283 0.000 2.864 26 W HA 0.150 4.640 4.660 -0.284 0.000 0.343 26 W C -1.972 174.429 176.519 -0.198 0.000 1.109 26 W CA -0.871 56.342 57.345 -0.221 0.000 1.192 26 W CB 3.141 32.591 29.460 -0.016 0.000 1.426 26 W HN -0.241 8.094 8.180 0.258 0.000 0.529 27 W N -0.424 121.016 121.300 0.232 0.000 2.883 27 W HA 0.327 5.051 4.660 0.106 0.000 0.335 27 W C -0.603 175.984 176.519 0.113 0.000 1.083 27 W CA -1.539 55.877 57.345 0.119 0.000 1.233 27 W CB 2.829 32.314 29.460 0.042 0.000 1.412 27 W HN 0.617 8.801 8.180 0.222 0.130 0.490 28 E N 1.847 122.214 120.200 0.278 0.000 2.436 28 E HA 0.095 4.754 4.350 0.175 -0.205 0.262 28 E C -0.021 176.662 176.600 0.139 0.000 1.063 28 E CA 1.810 58.300 56.400 0.149 0.000 0.944 28 E CB 0.222 29.936 29.700 0.022 0.000 0.950 28 E HN 0.293 8.804 8.360 0.251 0.000 0.444 29 V N -2.907 117.063 119.914 0.092 0.000 4.508 29 V HA 0.243 4.448 4.120 0.141 0.000 0.169 29 V C -1.196 174.857 176.094 -0.069 0.000 1.084 29 V CA -0.368 61.978 62.300 0.077 0.000 1.371 29 V CB 1.629 33.521 31.823 0.116 0.000 1.878 29 V HN -0.090 8.051 8.190 0.072 0.092 0.506 30 A N 0.186 122.876 122.820 -0.218 0.000 2.690 30 A HA 0.225 4.493 4.320 -0.335 -0.149 0.342 30 A C -0.876 176.582 177.584 -0.211 0.000 1.410 30 A CA -1.049 50.766 52.037 -0.370 0.000 0.958 30 A CB -0.210 18.348 19.000 -0.737 0.000 1.153 30 A HN -0.288 7.766 8.150 -0.159 0.000 0.497 31 K N 4.758 125.045 120.400 -0.187 0.000 2.345 31 K HA 0.183 4.457 4.320 -0.077 0.000 0.255 31 K C -1.299 175.224 176.600 -0.129 0.000 0.934 31 K CA -1.953 54.254 56.287 -0.133 0.000 0.801 31 K CB 2.087 34.524 32.500 -0.106 0.000 1.137 31 K HN -0.514 7.611 8.250 -0.208 0.000 0.424 32 Y N 3.910 124.206 120.300 -0.007 0.000 3.119 32 Y HA -0.270 4.323 4.550 0.071 0.000 0.348 32 Y C -0.359 175.623 175.900 0.135 0.000 1.267 32 Y CA 0.974 59.120 58.100 0.077 0.000 1.578 32 Y CB -0.548 37.989 38.460 0.128 0.000 1.198 32 Y HN 0.479 8.786 8.280 0.045 0.000 0.615 33 P HA -0.011 4.625 4.420 0.359 0.000 0.245 33 P C -0.884 176.687 177.300 0.453 0.000 1.212 33 P CA 0.092 63.406 63.100 0.356 0.000 0.774 33 P CB 0.324 32.156 31.700 0.220 0.000 0.999 34 S N -2.395 113.564 115.700 0.433 0.000 3.722 34 S HA -0.308 4.301 4.470 0.231 0.000 0.687 34 S C -1.466 173.215 174.600 0.135 0.000 1.930 34 S CA 1.155 59.498 58.200 0.239 0.000 2.028 34 S CB -0.207 63.038 63.200 0.075 0.000 0.336 34 S HN -0.187 8.323 8.310 0.491 0.095 1.368 35 P HA -0.043 4.409 4.420 0.053 0.000 0.211 35 P C 0.546 177.851 177.300 0.008 0.000 1.191 35 P CA 1.552 64.666 63.100 0.024 0.000 0.909 35 P CB 0.300 31.983 31.700 -0.027 0.000 0.770 36 N N -1.188 117.491 118.700 -0.036 0.000 2.309 36 N HA -0.177 4.553 4.740 -0.018 0.000 0.182 36 N C -0.009 175.477 175.510 -0.041 0.000 1.018 36 N CA 0.414 53.439 53.050 -0.041 0.000 0.876 36 N CB -0.211 38.231 38.487 -0.074 0.000 0.972 36 N HN -0.176 8.166 8.380 -0.062 0.000 0.434 37 G N -1.537 107.221 108.800 -0.070 0.000 2.738 37 G HA2 -0.274 3.952 3.960 0.004 0.000 0.262 37 G HA3 -0.274 3.699 3.960 0.023 0.000 0.262 37 G C -1.933 172.758 174.900 -0.349 0.000 1.032 37 G CA 0.156 45.209 45.100 -0.078 0.000 1.278 37 G HN -0.244 7.980 8.290 -0.071 0.023 0.537 38 K N 1.063 121.107 120.400 -0.592 0.000 2.502 38 K HA 0.210 4.017 4.320 -0.854 0.000 0.254 38 K C -2.780 173.207 176.600 -1.021 0.000 0.947 38 K CA -1.282 54.553 56.287 -0.753 0.000 0.834 38 K CB 1.236 33.419 32.500 -0.528 0.000 1.112 38 K HN -0.434 7.388 8.250 -0.714 0.000 0.427 39 Y N 0.893 120.934 120.300 -0.432 0.000 2.713 39 Y HA 0.046 4.416 4.550 -0.299 0.000 0.335 39 Y C -1.999 173.827 175.900 -0.122 0.000 1.222 39 Y CA 0.209 58.160 58.100 -0.249 0.000 1.061 39 Y CB 3.873 42.255 38.460 -0.130 0.000 1.314 39 Y HN -0.071 7.837 8.280 -0.620 0.000 0.453 40 G N -1.826 107.036 108.800 0.103 0.000 2.160 40 G HA2 0.066 4.112 3.960 0.144 0.000 0.288 40 G HA3 0.066 4.296 3.960 0.028 -0.254 0.288 40 G C -2.122 172.731 174.900 -0.078 0.000 1.335 40 G CA 0.211 45.344 45.100 0.054 0.000 1.249 40 G HN -0.023 8.336 8.290 0.114 0.000 0.614 41 K N 4.351 124.629 120.400 -0.204 0.000 2.333 41 K HA 0.016 4.116 4.320 -0.367 0.000 0.241 41 K C -1.437 174.601 176.600 -0.937 0.000 1.193 41 K CA -0.368 55.565 56.287 -0.591 0.000 1.142 41 K CB -1.199 30.875 32.500 -0.709 0.000 1.731 41 K HN 0.303 8.524 8.250 -0.049 0.000 0.344 42 c N 1.576 119.884 118.600 -0.486 0.000 3.117 42 c HA 0.095 4.355 4.570 -0.517 0.000 0.278 42 c C -1.736 172.205 174.090 -0.249 0.000 2.067 42 c CA -0.825 55.277 56.329 -0.378 0.000 1.202 42 c CB 0.686 43.076 42.510 -0.201 0.000 2.170 42 c HN -0.198 7.812 8.230 -0.305 0.038 0.600 43 G N 0.515 109.196 108.800 -0.198 0.000 2.816 43 G HA2 0.529 4.108 3.960 -0.654 0.000 0.288 43 G HA3 0.529 4.472 3.960 -0.190 -0.096 0.288 43 G C -2.530 172.496 174.900 0.210 0.000 1.334 43 G CA -0.887 44.070 45.100 -0.238 0.000 0.978 43 G HN -0.360 7.809 8.290 -0.202 0.000 0.493 44 W N -3.461 118.015 121.300 0.293 0.000 2.756 44 W HA 0.488 5.433 4.660 0.475 0.000 0.333 44 W C -2.644 174.006 176.519 0.218 0.000 1.025 44 W CA -1.783 55.750 57.345 0.313 0.000 1.246 44 W CB 1.060 30.658 29.460 0.230 0.000 1.358 44 W HN -0.380 7.418 8.180 -0.637 0.000 0.444 45 A N 4.709 127.740 122.820 0.352 0.000 2.371 45 A HA 0.708 5.314 4.320 0.224 -0.151 0.311 45 A C -1.837 175.892 177.584 0.241 0.000 1.068 45 A CA -1.727 50.449 52.037 0.232 0.000 0.744 45 A CB 3.078 22.163 19.000 0.141 0.000 1.239 45 A HN -0.020 8.330 8.150 0.333 0.000 0.435 46 E N 2.050 122.351 120.200 0.168 0.000 2.320 46 E HA 0.645 5.438 4.350 0.299 -0.264 0.264 46 E C -1.898 174.756 176.600 0.091 0.000 0.923 46 E CA -2.547 53.967 56.400 0.188 0.000 0.796 46 E CB 3.743 33.507 29.700 0.106 0.000 1.262 46 E HN 0.042 8.463 8.360 0.102 0.000 0.428 47 Y N -0.806 119.447 120.300 -0.078 0.000 2.345 47 Y HA 0.814 5.521 4.550 -0.156 -0.251 0.331 47 Y C 0.495 176.288 175.900 -0.178 0.000 0.959 47 Y CA -1.430 56.580 58.100 -0.150 0.000 1.204 47 Y CB 1.823 40.182 38.460 -0.169 0.000 1.135 47 Y HN -0.173 8.278 8.280 0.285 0.000 0.477 48 T N 7.891 122.378 114.554 -0.111 0.000 2.794 48 T HA 0.432 4.730 4.350 -0.086 0.000 0.280 48 T C -2.683 171.907 174.700 -0.183 0.000 0.987 48 T CA -3.111 58.919 62.100 -0.117 0.000 0.993 48 T CB 1.587 70.397 68.868 -0.097 0.000 0.939 48 T HN 0.249 8.376 8.240 -0.188 0.000 0.449 49 P HA 0.156 4.507 4.420 -0.322 -0.124 0.281 49 P C -1.072 176.131 177.300 -0.161 0.000 1.252 49 P CA -0.149 62.830 63.100 -0.202 0.000 0.778 49 P CB 0.609 32.238 31.700 -0.118 0.000 0.895 50 E N 3.884 123.969 120.200 -0.191 0.000 3.575 50 E HA 0.088 4.382 4.350 -0.093 0.000 0.201 50 E C -0.400 176.148 176.600 -0.087 0.000 0.999 50 E CA -0.778 55.548 56.400 -0.123 0.000 1.315 50 E CB 0.528 30.152 29.700 -0.127 0.000 1.146 50 E HN 1.083 9.162 8.360 -0.271 0.118 0.453 51 G N -0.163 108.589 108.800 -0.081 0.000 2.587 51 G HA2 -0.308 3.636 3.960 -0.027 0.000 0.245 51 G HA3 -0.308 3.643 3.960 -0.015 0.000 0.245 51 G C -0.131 174.747 174.900 -0.037 0.000 0.959 51 G CA 0.241 45.318 45.100 -0.038 0.000 1.268 51 G HN 0.197 8.431 8.290 -0.093 0.000 0.448 52 K N -1.043 119.326 120.400 -0.052 0.000 4.099 52 K HA -0.451 3.896 4.320 0.045 0.000 0.439 52 K C -1.331 175.170 176.600 -0.166 0.000 0.387 52 K CA 1.935 58.197 56.287 -0.042 0.000 1.916 52 K CB -0.385 32.088 32.500 -0.045 0.000 0.702 52 K HN 0.221 8.444 8.250 -0.045 0.000 0.499 53 S N -0.468 115.106 115.700 -0.210 0.000 2.654 53 S HA 0.584 4.961 4.470 -0.434 -0.167 0.283 53 S C -0.701 173.553 174.600 -0.577 0.000 1.180 53 S CA -0.991 56.999 58.200 -0.350 0.000 1.021 53 S CB 1.876 65.016 63.200 -0.100 0.000 1.018 53 S HN -0.626 7.522 8.310 -0.113 0.095 0.532 54 V N -5.639 113.798 119.914 -0.796 0.000 2.447 54 V HA 0.753 4.721 4.120 -0.549 -0.177 0.292 54 V C -0.516 175.248 176.094 -0.551 0.000 1.021 54 V CA -2.492 59.362 62.300 -0.744 0.000 0.850 54 V CB 2.280 33.422 31.823 -1.135 0.000 1.005 54 V HN 0.353 8.046 8.190 -0.827 0.000 0.426 55 K N 6.955 127.122 120.400 -0.388 0.000 2.414 55 K HA -0.017 4.100 4.320 -0.338 0.000 0.272 55 K C -1.855 174.483 176.600 -0.437 0.000 0.993 55 K CA 1.200 57.285 56.287 -0.335 0.000 0.964 55 K CB 1.153 33.525 32.500 -0.213 0.000 0.925 55 K HN 0.662 8.645 8.250 -0.321 0.074 0.487 56 V N 2.801 122.454 119.914 -0.434 0.000 2.612 56 V HA 0.618 4.553 4.120 -0.682 -0.224 0.301 56 V C -1.049 174.843 176.094 -0.338 0.000 1.059 56 V CA -1.086 60.873 62.300 -0.569 0.000 0.886 56 V CB 3.154 34.521 31.823 -0.759 0.000 1.007 56 V HN 0.192 8.179 8.190 -0.338 0.000 0.426 57 S N 7.637 123.188 115.700 -0.247 0.000 2.596 57 S HA 0.476 4.790 4.470 -0.260 0.000 0.318 57 S C -2.381 172.155 174.600 -0.108 0.000 1.097 57 S CA -0.869 57.243 58.200 -0.147 0.000 1.080 57 S CB 1.526 64.760 63.200 0.056 0.000 0.991 57 S HN -0.062 8.104 8.310 -0.239 0.000 0.471 58 R N 5.665 126.010 120.500 -0.258 0.000 2.514 58 R HA 0.258 4.579 4.340 -0.033 0.000 0.301 58 R C -2.337 173.906 176.300 -0.095 0.000 0.962 58 R CA -0.890 55.115 56.100 -0.160 0.000 0.882 58 R CB 3.506 33.667 30.300 -0.231 0.000 1.143 58 R HN -0.205 7.774 8.270 -0.486 0.000 0.452 59 Y N 5.238 125.471 120.300 -0.112 0.000 2.358 59 Y HA 0.316 5.058 4.550 0.068 -0.152 0.324 59 Y C -2.691 173.018 175.900 -0.317 0.000 1.123 59 Y CA -1.857 56.190 58.100 -0.088 0.000 1.067 59 Y CB 3.341 41.775 38.460 -0.044 0.000 1.230 59 Y HN 0.428 8.732 8.280 0.040 0.000 0.429 60 D N 1.871 122.389 120.400 0.197 0.000 2.768 60 D HA 0.200 4.708 4.640 -0.220 0.000 0.327 60 D C -2.559 173.802 176.300 0.102 0.000 1.302 60 D CA -1.189 52.804 54.000 -0.012 0.000 0.897 60 D CB 3.644 44.403 40.800 -0.068 0.000 1.420 60 D HN 0.186 8.725 8.370 0.282 0.000 0.494 61 V N -0.335 119.599 119.914 0.033 0.000 2.293 61 V HA 0.295 4.669 4.120 0.145 -0.167 0.275 61 V C -0.476 175.669 176.094 0.085 0.000 1.021 61 V CA -0.823 61.529 62.300 0.087 0.000 0.815 61 V CB -0.067 31.793 31.823 0.061 0.000 1.025 61 V HN 0.293 8.463 8.190 -0.033 0.000 0.448 62 I N 6.458 127.079 120.570 0.086 0.000 2.379 62 I HA -0.199 4.139 4.170 0.032 -0.149 0.290 62 I C 0.227 176.428 176.117 0.140 0.000 1.063 62 I CA -0.404 60.902 61.300 0.010 0.000 1.351 62 I CB 0.160 37.978 38.000 -0.304 0.000 1.410 62 I HN 0.305 8.606 8.210 0.152 0.000 0.505 63 H N 8.027 127.112 119.070 0.024 0.000 2.400 63 H HA -0.389 4.198 4.556 0.052 0.000 0.310 63 H C 0.174 175.528 175.328 0.044 0.000 0.923 63 H CA 0.496 56.566 56.048 0.036 0.000 1.024 63 H CB -1.752 28.020 29.762 0.017 0.000 1.611 63 H HN 0.465 8.967 8.280 0.369 0.000 0.332 64 G N -0.663 108.211 108.800 0.124 0.000 2.357 64 G HA2 -0.548 3.459 3.960 0.078 0.000 0.282 64 G HA3 -0.548 3.450 3.960 0.062 0.000 0.282 64 G C -1.729 173.233 174.900 0.104 0.000 0.910 64 G CA 0.915 46.067 45.100 0.088 0.000 1.267 64 G HN 0.173 8.530 8.290 0.112 0.000 0.476 65 K N -0.945 119.530 120.400 0.125 0.000 2.592 65 K HA 0.008 4.396 4.320 0.112 0.000 0.265 65 K C -1.969 174.737 176.600 0.177 0.000 1.006 65 K CA -1.026 55.345 56.287 0.141 0.000 0.907 65 K CB 2.575 35.171 32.500 0.159 0.000 1.309 65 K HN -0.339 7.988 8.250 0.128 0.000 0.452 66 E N 5.375 125.665 120.200 0.150 0.000 2.383 66 E HA -0.199 4.376 4.350 0.207 -0.100 0.257 66 E C -0.791 175.912 176.600 0.172 0.000 1.079 66 E CA 1.357 57.869 56.400 0.187 0.000 0.934 66 E CB -0.155 29.655 29.700 0.183 0.000 0.978 66 E HN 0.296 8.727 8.360 0.118 0.000 0.462 67 Y N 7.393 127.717 120.300 0.040 0.000 2.567 67 Y HA 0.109 4.631 4.550 -0.047 0.000 0.333 67 Y C -1.962 173.848 175.900 -0.150 0.000 1.106 67 Y CA -0.611 57.462 58.100 -0.044 0.000 1.157 67 Y CB 4.210 42.643 38.460 -0.044 0.000 1.277 67 Y HN 0.880 9.226 8.280 0.307 0.119 0.490 68 F N 3.505 123.215 119.950 -0.400 0.000 2.639 68 F HA 0.351 4.797 4.527 -0.403 -0.160 0.326 68 F C -2.473 173.143 175.800 -0.306 0.000 1.150 68 F CA -0.151 57.544 58.000 -0.508 0.000 1.057 68 F CB 3.281 41.704 39.000 -0.962 0.000 1.300 68 F HN -0.008 8.017 8.300 -0.459 0.000 0.486 69 M N 6.568 125.658 119.600 -0.848 0.000 2.182 69 M HA 0.358 4.441 4.480 -0.662 0.000 0.266 69 M C -1.934 173.944 176.300 -0.704 0.000 0.989 69 M CA -0.278 54.625 55.300 -0.661 0.000 1.003 69 M CB 3.605 36.051 32.600 -0.258 0.000 1.812 69 M HN 0.225 7.952 8.290 -0.765 0.104 0.472 70 E N 3.559 123.334 120.200 -0.708 0.000 2.281 70 E HA 0.428 4.582 4.350 -0.418 -0.055 0.257 70 E C -1.393 175.078 176.600 -0.215 0.000 0.971 70 E CA -2.128 54.005 56.400 -0.444 0.000 0.839 70 E CB 2.268 31.735 29.700 -0.388 0.000 1.238 70 E HN 0.094 8.035 8.360 -0.698 0.000 0.412 71 G N -2.561 106.140 108.800 -0.165 0.000 2.219 71 G HA2 -0.062 3.989 3.960 -0.070 0.000 0.304 71 G HA3 -0.062 3.909 3.960 0.004 -0.009 0.304 71 G C -1.707 173.064 174.900 -0.215 0.000 1.712 71 G CA 0.446 45.491 45.100 -0.092 0.000 0.905 71 G HN 0.394 8.457 8.290 -0.211 0.100 0.706 72 T N 2.674 117.081 114.554 -0.245 0.000 2.898 72 T HA -0.054 4.178 4.350 -0.427 -0.139 0.301 72 T C -0.900 173.424 174.700 -0.627 0.000 1.049 72 T CA -1.126 60.744 62.100 -0.383 0.000 1.095 72 T CB 1.288 70.000 68.868 -0.260 0.000 0.976 72 T HN 0.025 8.173 8.240 -0.154 0.000 0.539 73 A N 7.240 129.617 122.820 -0.738 0.000 2.253 73 A HA 0.279 4.133 4.320 -0.996 -0.132 0.316 73 A C -2.214 175.113 177.584 -0.429 0.000 1.327 73 A CA -1.632 49.941 52.037 -0.773 0.000 0.917 73 A CB 0.987 19.635 19.000 -0.587 0.000 1.162 73 A HN 0.524 8.154 8.150 -0.658 0.125 0.535 74 Y N 6.015 125.970 120.300 -0.576 0.000 2.499 74 Y HA 0.394 4.810 4.550 -0.224 0.000 0.347 74 Y C -2.937 172.882 175.900 -0.135 0.000 0.987 74 Y CA -2.520 55.341 58.100 -0.398 0.000 1.044 74 Y CB 4.446 42.535 38.460 -0.618 0.000 1.245 74 Y HN 0.319 8.245 8.280 -0.589 0.000 0.461 75 P HA 0.061 4.668 4.420 0.064 -0.148 0.282 75 P C -1.356 176.005 177.300 0.102 0.000 1.274 75 P CA -0.393 62.608 63.100 -0.165 0.000 0.770 75 P CB 0.486 32.050 31.700 -0.227 0.000 0.867 76 V N 5.320 125.435 119.914 0.335 0.000 2.261 76 V HA -0.337 4.171 4.120 0.648 0.000 0.246 76 V C 0.087 176.340 176.094 0.265 0.000 1.047 76 V CA 2.843 65.394 62.300 0.419 0.000 1.015 76 V CB 0.470 32.489 31.823 0.328 0.000 0.642 76 V HN 1.109 9.340 8.190 0.291 0.133 0.446 77 G N -3.378 105.516 108.800 0.157 0.000 3.364 77 G HA2 0.131 4.163 3.960 0.121 0.000 0.191 77 G HA3 0.131 4.142 3.960 0.085 0.000 0.191 77 G C -2.301 172.635 174.900 0.060 0.000 1.352 77 G CA -0.605 44.557 45.100 0.104 0.000 0.758 77 G HN -0.634 7.739 8.290 0.139 0.000 0.730 78 D N 0.138 120.563 120.400 0.042 0.000 2.662 78 D HA -0.016 4.637 4.640 0.022 0.000 0.237 78 D C -0.105 176.204 176.300 0.015 0.000 1.154 78 D CA 0.398 54.412 54.000 0.022 0.000 0.861 78 D CB 0.843 41.651 40.800 0.013 0.000 1.146 78 D HN -0.268 8.126 8.370 0.041 0.000 0.518 79 S N 3.943 119.645 115.700 0.002 0.000 2.374 79 S HA -0.296 4.156 4.470 -0.029 0.000 0.227 79 S C 0.677 175.283 174.600 0.011 0.000 1.037 79 S CA 2.633 60.829 58.200 -0.007 0.000 1.024 79 S CB 0.594 63.788 63.200 -0.009 0.000 0.861 79 S HN 0.146 8.458 8.310 0.004 0.000 0.456 80 K N -2.042 118.360 120.400 0.003 0.000 1.965 80 K HA -0.298 4.017 4.320 -0.009 0.000 0.220 80 K C 1.055 177.648 176.600 -0.013 0.000 1.046 80 K CA 2.076 58.359 56.287 -0.008 0.000 0.974 80 K CB -0.018 32.474 32.500 -0.014 0.000 0.738 80 K HN -0.334 7.920 8.250 0.002 -0.002 0.444 81 I N -2.867 117.691 120.570 -0.020 0.000 3.185 81 I HA -0.363 3.981 4.170 -0.068 -0.215 0.300 81 I C 1.449 177.557 176.117 -0.015 0.000 1.245 81 I CA 1.450 62.728 61.300 -0.037 0.000 1.413 81 I CB -0.176 37.807 38.000 -0.029 0.000 1.324 81 I HN -0.354 7.847 8.210 -0.016 0.000 0.588 82 G N 0.464 109.226 108.800 -0.063 0.000 2.800 82 G HA2 -0.225 3.776 3.960 0.069 0.000 0.190 82 G HA3 -0.225 3.655 3.960 -0.133 0.000 0.190 82 G C -1.281 173.668 174.900 0.082 0.000 1.468 82 G CA 0.563 45.651 45.100 -0.019 0.000 0.840 82 G HN 0.346 8.503 8.290 -0.117 0.062 0.588 83 K N -1.540 118.891 120.400 0.052 0.000 3.730 83 K HA -0.357 4.023 4.320 0.099 0.000 0.276 83 K C -1.800 174.931 176.600 0.219 0.000 0.904 83 K CA 0.467 56.822 56.287 0.115 0.000 0.741 83 K CB -1.400 31.155 32.500 0.092 0.000 1.542 83 K HN 0.177 8.413 8.250 -0.023 0.000 0.446 84 I N -1.177 119.567 120.570 0.291 0.000 2.359 84 I HA 0.627 5.176 4.170 0.304 -0.196 0.284 84 I C 0.064 176.481 176.117 0.500 0.000 1.018 84 I CA -2.319 59.211 61.300 0.384 0.000 1.173 84 I CB 0.261 38.566 38.000 0.507 0.000 1.326 84 I HN -0.640 7.720 8.210 0.249 0.000 0.462 85 Y N 7.316 127.865 120.300 0.415 0.000 2.319 85 Y HA 0.416 5.375 4.550 0.424 -0.155 0.328 85 Y C -1.622 174.532 175.900 0.423 0.000 1.133 85 Y CA -2.399 55.941 58.100 0.400 0.000 1.265 85 Y CB 1.320 39.947 38.460 0.277 0.000 1.218 85 Y HN 0.476 9.038 8.280 0.471 0.000 0.508 86 H N 8.020 127.316 119.070 0.377 0.000 2.556 86 H HA 0.656 5.495 4.556 0.022 -0.270 0.310 86 H C 0.132 175.654 175.328 0.322 0.000 1.057 86 H CA -1.821 54.358 56.048 0.218 0.000 1.264 86 H CB 2.025 31.909 29.762 0.204 0.000 1.404 86 H HN 0.724 9.335 8.280 0.699 0.089 0.462 87 S N 5.038 120.922 115.700 0.306 0.000 2.455 87 S HA 0.069 4.874 4.470 0.349 -0.126 0.278 87 S C -1.305 173.384 174.600 0.148 0.000 1.216 87 S CA 0.795 59.169 58.200 0.288 0.000 1.055 87 S CB 0.494 63.853 63.200 0.264 0.000 0.939 87 S HN -0.070 8.286 8.310 0.076 0.000 0.494 88 R N 7.649 128.236 120.500 0.144 0.000 2.337 88 R HA 0.430 4.800 4.340 0.049 0.000 0.319 88 R C -0.340 176.004 176.300 0.073 0.000 0.954 88 R CA -1.268 54.885 56.100 0.088 0.000 0.840 88 R CB 2.390 32.753 30.300 0.105 0.000 1.164 88 R HN 0.196 8.566 8.270 0.166 0.000 0.472 89 T N 4.500 119.082 114.554 0.047 0.000 2.909 89 T HA 0.348 4.850 4.350 0.065 -0.113 0.286 89 T C -0.963 173.769 174.700 0.055 0.000 1.002 89 T CA -0.998 61.134 62.100 0.053 0.000 1.074 89 T CB 1.261 70.152 68.868 0.039 0.000 0.984 89 T HN 0.118 8.375 8.240 0.028 0.000 0.495 90 V N 3.125 123.083 119.914 0.075 0.000 2.777 90 V HA 0.242 4.385 4.120 0.038 0.000 0.306 90 V C 0.691 176.829 176.094 0.073 0.000 1.112 90 V CA -1.355 60.981 62.300 0.061 0.000 0.917 90 V CB 3.578 35.433 31.823 0.054 0.000 1.018 90 V HN 0.836 8.975 8.190 0.097 0.109 0.426 91 G N 9.638 118.462 108.800 0.040 0.000 2.690 91 G HA2 -0.332 3.639 3.960 0.018 0.000 0.362 91 G HA3 -0.332 3.647 3.960 0.032 0.000 0.362 91 G C -0.297 174.638 174.900 0.058 0.000 1.132 91 G CA 1.793 46.914 45.100 0.036 0.000 0.922 91 G HN 0.459 8.762 8.290 0.022 0.000 0.595 92 G N -0.573 108.284 108.800 0.095 0.000 4.331 92 G HA2 0.455 4.451 3.960 0.061 0.000 0.299 92 G HA3 0.455 4.471 3.960 0.094 0.000 0.299 92 G C -2.214 172.799 174.900 0.188 0.000 1.158 92 G CA -0.338 44.824 45.100 0.104 0.000 0.916 92 G HN 0.065 8.420 8.290 0.109 0.000 0.553 93 Y N 0.394 120.692 120.300 -0.003 0.000 2.544 93 Y HA 0.276 4.825 4.550 -0.003 0.000 0.342 93 Y C -2.230 173.672 175.900 0.003 0.000 1.062 93 Y CA -0.212 57.888 58.100 -0.001 0.000 1.023 93 Y CB 4.466 42.925 38.460 -0.001 0.000 1.308 93 Y HN 0.850 9.066 8.280 0.188 0.177 0.457 94 T N 5.870 120.400 114.554 -0.039 0.000 2.861 94 T HA 0.423 4.815 4.350 0.070 0.000 0.287 94 T C -1.212 173.506 174.700 0.030 0.000 1.003 94 T CA -1.047 61.058 62.100 0.009 0.000 0.977 94 T CB 1.627 70.468 68.868 -0.045 0.000 0.996 94 T HN 0.152 8.192 8.240 -0.332 0.000 0.448 95 K N 5.860 126.310 120.400 0.084 0.000 2.378 95 K HA 0.346 4.701 4.320 0.057 0.000 0.252 95 K C -1.434 175.213 176.600 0.077 0.000 0.931 95 K CA -1.771 54.569 56.287 0.089 0.000 0.794 95 K CB 2.826 35.409 32.500 0.138 0.000 1.181 95 K HN 0.137 8.444 8.250 0.095 0.000 0.425 96 K N 4.445 124.857 120.400 0.020 0.000 2.268 96 K HA 0.205 4.576 4.320 0.086 0.000 0.276 96 K C -0.543 176.113 176.600 0.093 0.000 1.080 96 K CA -1.034 55.241 56.287 -0.021 0.000 0.910 96 K CB -0.359 31.945 32.500 -0.326 0.000 1.163 96 K HN 0.303 8.549 8.250 -0.007 0.000 0.465 97 T N 7.016 121.722 114.554 0.253 0.000 2.806 97 T HA 0.053 4.523 4.350 0.200 0.000 0.290 97 T C -1.481 173.447 174.700 0.379 0.000 0.966 97 T CA 0.215 62.480 62.100 0.274 0.000 1.060 97 T CB 1.092 70.123 68.868 0.271 0.000 0.927 97 T HN 0.237 8.679 8.240 0.337 0.000 0.485 98 V N 5.705 125.796 119.914 0.296 0.000 2.350 98 V HA 0.005 4.395 4.120 0.451 0.000 0.276 98 V C -2.200 174.097 176.094 0.338 0.000 1.028 98 V CA -0.264 62.234 62.300 0.330 0.000 0.860 98 V CB 0.514 32.468 31.823 0.218 0.000 0.990 98 V HN 0.457 8.779 8.190 0.220 0.000 0.453 99 F N 9.691 129.753 119.950 0.188 0.000 2.382 99 F HA 0.551 5.081 4.527 0.005 0.000 0.361 99 F C -1.936 173.930 175.800 0.110 0.000 1.109 99 F CA -2.828 55.217 58.000 0.075 0.000 1.031 99 F CB 2.535 41.534 39.000 -0.001 0.000 1.234 99 F HN -0.092 8.421 8.300 0.530 0.105 0.445 100 N N 8.517 127.071 118.700 -0.244 0.000 2.415 100 N HA 0.130 4.762 4.740 -0.180 0.000 0.246 100 N C -1.463 173.674 175.510 -0.621 0.000 1.078 100 N CA 0.160 53.033 53.050 -0.294 0.000 0.942 100 N CB 1.065 39.482 38.487 -0.116 0.000 1.140 100 N HN -0.125 8.208 8.380 -0.077 0.000 0.501 101 V N 6.492 126.025 119.914 -0.635 0.000 2.352 101 V HA 0.015 3.617 4.120 -0.864 0.000 0.253 101 V C 0.413 176.210 176.094 -0.496 0.000 1.083 101 V CA -0.896 60.994 62.300 -0.683 0.000 0.993 101 V CB -1.310 30.173 31.823 -0.566 0.000 1.111 101 V HN 0.357 8.298 8.190 -0.415 0.000 0.490 102 L N 8.000 129.004 121.223 -0.365 0.000 1.988 102 L HA -0.374 3.906 4.340 -0.208 -0.065 0.240 102 L C -0.109 176.591 176.870 -0.283 0.000 1.096 102 L CA 3.645 58.340 54.840 -0.241 0.000 0.827 102 L CB 0.468 42.460 42.059 -0.111 0.000 0.916 102 L HN -0.475 7.550 8.230 -0.343 0.000 0.440 103 S N -6.980 108.561 115.700 -0.264 0.000 2.649 103 S HA 0.160 4.416 4.470 -0.357 0.000 0.274 103 S C -1.392 173.075 174.600 -0.222 0.000 1.176 103 S CA -0.644 57.407 58.200 -0.249 0.000 0.988 103 S CB 1.819 64.949 63.200 -0.116 0.000 1.071 103 S HN -0.215 7.949 8.310 -0.243 0.000 0.478 104 T N 3.478 117.853 114.554 -0.298 0.000 2.945 104 T HA 0.296 4.548 4.350 -0.163 0.000 0.286 104 T C -1.064 173.657 174.700 0.035 0.000 1.025 104 T CA -2.140 59.846 62.100 -0.191 0.000 1.039 104 T CB 1.906 70.558 68.868 -0.360 0.000 1.068 104 T HN -0.278 7.711 8.240 -0.418 0.000 0.497 105 D N 2.851 123.411 120.400 0.267 0.000 2.367 105 D HA 0.120 4.835 4.640 0.125 0.000 0.207 105 D C -0.371 176.042 176.300 0.189 0.000 1.034 105 D CA -0.322 53.810 54.000 0.221 0.000 0.861 105 D CB 0.785 41.730 40.800 0.241 0.000 0.943 105 D HN 0.374 9.019 8.370 0.459 0.000 0.515 106 N N -2.457 116.377 118.700 0.223 0.000 2.688 106 N HA -0.402 4.546 4.740 0.347 0.000 0.258 106 N C -1.361 174.307 175.510 0.262 0.000 1.016 106 N CA 1.601 54.810 53.050 0.265 0.000 0.747 106 N CB -2.201 36.395 38.487 0.180 0.000 0.895 106 N HN -0.106 8.352 8.380 0.194 0.037 0.543 107 K N -0.740 119.840 120.400 0.301 0.000 2.644 107 K HA 0.121 4.519 4.320 0.130 0.000 0.231 107 K C -1.012 175.624 176.600 0.060 0.000 1.493 107 K CA 0.045 56.430 56.287 0.163 0.000 0.836 107 K CB 1.889 34.458 32.500 0.116 0.000 1.853 107 K HN -0.405 8.094 8.250 0.415 0.000 0.390 108 N N -3.035 115.702 118.700 0.061 0.000 2.142 108 N HA 0.075 4.555 4.740 -0.432 0.000 0.233 108 N C -2.207 173.304 175.510 0.002 0.000 1.335 108 N CA 0.069 53.032 53.050 -0.145 0.000 0.837 108 N CB 1.631 40.076 38.487 -0.069 0.000 1.238 108 N HN -0.149 8.346 8.380 0.191 0.000 0.501 109 Y N -2.733 117.616 120.300 0.082 0.000 2.609 109 Y HA 0.606 5.522 4.550 0.290 -0.192 0.336 109 Y C -3.146 172.992 175.900 0.397 0.000 1.129 109 Y CA -1.447 56.805 58.100 0.252 0.000 1.040 109 Y CB 2.506 41.031 38.460 0.109 0.000 1.310 109 Y HN -0.796 7.780 8.280 0.494 0.000 0.460 110 I N 1.710 121.981 120.570 -0.500 0.000 2.607 110 I HA 0.202 3.815 4.170 -0.927 0.000 0.290 110 I C -2.071 173.551 176.117 -0.826 0.000 1.129 110 I CA -0.777 60.075 61.300 -0.747 0.000 1.042 110 I CB 4.603 42.284 38.000 -0.532 0.000 1.242 110 I HN 0.012 8.072 8.210 -0.251 0.000 0.421 111 I N 5.309 125.366 120.570 -0.856 0.000 2.982 111 I HA 0.218 4.076 4.170 -0.520 0.000 0.312 111 I C -1.164 174.737 176.117 -0.359 0.000 1.041 111 I CA -2.494 58.427 61.300 -0.631 0.000 1.053 111 I CB 2.889 40.368 38.000 -0.868 0.000 1.248 111 I HN 0.085 7.797 8.210 -0.830 0.000 0.471 112 G N 1.297 109.962 108.800 -0.226 0.000 2.340 112 G HA2 0.157 3.956 3.960 -0.426 0.000 0.299 112 G HA3 0.157 3.984 3.960 -0.221 0.000 0.299 112 G C -3.115 171.831 174.900 0.077 0.000 1.291 112 G CA 0.452 45.414 45.100 -0.230 0.000 0.841 112 G HN -0.362 7.799 8.290 -0.214 0.000 0.500 113 Y N -2.380 117.816 120.300 -0.173 0.000 2.409 113 Y HA 0.142 4.743 4.550 0.085 0.000 0.321 113 Y C -2.866 173.072 175.900 0.064 0.000 1.209 113 Y CA 0.484 58.590 58.100 0.009 0.000 1.086 113 Y CB 3.833 42.274 38.460 -0.031 0.000 1.320 113 Y HN -0.288 7.706 8.280 -0.478 0.000 0.440 114 S N 4.235 119.871 115.700 -0.108 0.000 2.575 114 S HA 0.488 5.029 4.470 0.119 0.000 0.278 114 S C -1.891 172.658 174.600 -0.085 0.000 1.139 114 S CA -0.618 57.586 58.200 0.007 0.000 0.954 114 S CB 2.221 65.435 63.200 0.024 0.000 1.054 114 S HN -0.149 7.910 8.310 -0.417 0.000 0.483 115 c N 4.537 123.159 118.600 0.037 0.000 2.446 115 c HA 0.594 5.310 4.570 0.124 -0.072 0.329 115 c C -1.392 172.798 174.090 0.166 0.000 1.166 115 c CA -2.139 54.261 56.329 0.120 0.000 1.341 115 c CB 3.570 46.184 42.510 0.173 0.000 1.970 115 c HN 0.261 8.537 8.230 0.076 0.000 0.452 116 R N 3.697 124.336 120.500 0.230 0.000 2.404 116 R HA 0.269 4.730 4.340 0.203 0.000 0.291 116 R C -2.032 174.477 176.300 0.348 0.000 1.025 116 R CA -1.308 54.937 56.100 0.241 0.000 0.991 116 R CB 1.600 32.012 30.300 0.187 0.000 1.053 116 R HN -0.047 8.369 8.270 0.245 0.000 0.479 117 Y N 3.411 123.818 120.300 0.178 0.000 2.304 117 Y HA -0.065 4.656 4.550 0.285 0.000 0.328 117 Y C -1.171 174.860 175.900 0.217 0.000 1.123 117 Y CA 0.411 58.631 58.100 0.201 0.000 1.218 117 Y CB 1.082 39.606 38.460 0.107 0.000 1.207 117 Y HN 0.273 8.774 8.280 0.368 0.000 0.495 118 D N 7.239 127.527 120.400 -0.188 0.000 2.381 118 D HA 0.216 4.919 4.640 0.105 0.000 0.235 118 D C -0.318 175.861 176.300 -0.201 0.000 1.068 118 D CA -1.212 52.774 54.000 -0.022 0.000 0.832 118 D CB 2.350 43.290 40.800 0.233 0.000 1.101 118 D HN -0.124 7.951 8.370 -0.493 0.000 0.515 119 E N 4.851 125.061 120.200 0.016 0.000 2.358 119 E HA -0.230 4.168 4.350 0.081 0.000 0.195 119 E C 0.118 176.744 176.600 0.043 0.000 1.010 119 E CA 1.617 58.063 56.400 0.076 0.000 0.856 119 E CB -0.414 29.380 29.700 0.157 0.000 0.795 119 E HN 0.536 8.955 8.360 0.098 0.000 0.504 120 D N -0.923 119.501 120.400 0.039 0.000 2.120 120 D HA -0.113 4.549 4.640 0.036 0.000 0.202 120 D C 0.877 177.197 176.300 0.034 0.000 0.972 120 D CA 2.299 56.323 54.000 0.039 0.000 0.837 120 D CB 0.500 41.326 40.800 0.043 0.000 0.989 120 D HN -0.420 8.180 8.370 0.049 -0.201 0.469 121 K N -2.763 117.667 120.400 0.050 0.000 2.426 121 K HA -0.008 4.321 4.320 0.015 0.000 0.193 121 K C 0.791 177.390 176.600 -0.003 0.000 1.028 121 K CA -0.448 55.860 56.287 0.034 0.000 1.047 121 K CB 0.337 32.891 32.500 0.090 0.000 0.821 121 K HN -0.404 8.059 8.250 0.082 -0.164 0.513 122 K N -3.114 117.241 120.400 -0.075 0.000 6.888 122 K HA -0.421 3.836 4.320 -0.089 0.009 0.474 122 K C 0.543 176.933 176.600 -0.349 0.000 0.356 122 K CA 2.293 58.511 56.287 -0.117 0.000 1.962 122 K CB -1.398 31.108 32.500 0.010 0.000 0.628 122 K HN 0.229 8.281 8.250 -0.077 0.151 0.782 123 G N -1.129 107.567 108.800 -0.173 0.000 2.466 123 G HA2 -0.075 3.817 3.960 -0.113 0.000 0.204 123 G HA3 -0.075 3.847 3.960 -0.270 -0.123 0.204 123 G C -1.101 173.585 174.900 -0.356 0.000 1.600 123 G CA 0.399 45.363 45.100 -0.227 0.000 1.038 123 G HN -0.158 8.053 8.290 -0.011 0.073 0.515 124 H N -3.321 115.526 119.070 -0.372 0.000 2.948 124 H HA 0.361 4.935 4.556 -0.157 -0.111 0.315 124 H C -2.481 172.670 175.328 -0.294 0.000 1.360 124 H CA -1.319 54.602 56.048 -0.213 0.000 1.125 124 H CB 2.512 32.290 29.762 0.026 0.000 1.844 124 H HN 0.115 7.984 8.280 -0.685 0.000 0.529 125 W N -3.984 117.393 121.300 0.129 0.000 2.902 125 W HA 0.551 5.386 4.660 0.050 -0.145 0.346 125 W C -1.156 175.434 176.519 0.119 0.000 1.139 125 W CA -1.517 55.872 57.345 0.074 0.000 1.139 125 W CB 3.177 32.659 29.460 0.037 0.000 1.439 125 W HN 0.840 9.320 8.180 0.500 0.000 0.558 126 D N -0.978 119.585 120.400 0.272 0.000 2.198 126 D HA 0.003 4.668 4.640 0.042 0.000 0.247 126 D C -1.204 175.139 176.300 0.072 0.000 1.010 126 D CA -0.691 53.338 54.000 0.047 0.000 0.880 126 D CB 2.901 43.633 40.800 -0.113 0.000 1.209 126 D HN -0.181 8.392 8.370 0.339 0.000 0.451 127 H N 4.467 123.415 119.070 -0.205 0.000 3.287 127 H HA 0.289 4.755 4.556 -0.151 0.000 0.330 127 H C -2.168 172.978 175.328 -0.304 0.000 1.064 127 H CA 0.005 55.949 56.048 -0.174 0.000 1.544 127 H CB 2.064 31.782 29.762 -0.073 0.000 1.918 127 H HN 0.791 8.873 8.280 -0.162 0.101 0.477 128 V N 5.769 125.484 119.914 -0.331 0.000 3.160 128 V HA 0.309 3.943 4.120 -0.810 0.000 0.310 128 V C -2.594 173.395 176.094 -0.174 0.000 1.181 128 V CA -2.427 59.630 62.300 -0.405 0.000 1.047 128 V CB 3.496 35.218 31.823 -0.168 0.000 1.068 128 V HN 0.033 8.117 8.190 -0.177 0.000 0.441 129 W N 0.374 121.658 121.300 -0.027 0.000 3.217 129 W HA 0.331 4.970 4.660 -0.036 0.000 0.323 129 W C -2.550 173.951 176.519 -0.030 0.000 1.216 129 W CA -2.027 55.285 57.345 -0.054 0.000 1.194 129 W CB 0.451 29.847 29.460 -0.107 0.000 1.397 129 W HN -0.138 7.690 8.180 -0.587 0.000 0.537 130 V N 1.855 121.904 119.914 0.225 0.000 2.483 130 V HA 0.237 4.532 4.120 0.096 -0.117 0.295 130 V C -0.474 175.728 176.094 0.179 0.000 1.035 130 V CA -1.777 60.598 62.300 0.125 0.000 0.896 130 V CB 1.621 33.453 31.823 0.016 0.000 0.986 130 V HN 0.095 8.385 8.190 0.166 0.000 0.447 131 L N 5.631 126.980 121.223 0.209 0.000 2.330 131 L HA 0.387 5.005 4.340 0.309 -0.092 0.271 131 L C -1.591 175.544 176.870 0.442 0.000 1.013 131 L CA -1.365 53.690 54.840 0.357 0.000 0.816 131 L CB 1.962 44.268 42.059 0.411 0.000 1.287 131 L HN -0.125 8.180 8.230 0.126 0.000 0.435 132 S N -0.686 115.261 115.700 0.411 0.000 2.706 132 S HA 0.321 4.995 4.470 0.111 -0.137 0.270 132 S C 0.693 175.180 174.600 -0.187 0.000 1.163 132 S CA -1.356 56.926 58.200 0.136 0.000 1.042 132 S CB 2.223 65.526 63.200 0.172 0.000 1.079 132 S HN 0.683 9.127 8.310 0.415 0.114 0.474 133 R N 5.759 125.693 120.500 -0.943 0.000 2.165 133 R HA -0.313 3.200 4.340 -1.584 -0.123 0.254 133 R C 0.130 176.147 176.300 -0.472 0.000 1.153 133 R CA 2.996 58.410 56.100 -1.143 0.000 0.971 133 R CB -0.009 29.613 30.300 -1.129 0.000 0.878 133 R HN 0.580 7.924 8.270 -1.403 0.084 0.449 134 S N -3.710 111.881 115.700 -0.181 0.000 2.565 134 S HA 0.203 4.745 4.470 0.121 0.000 0.290 134 S C 1.092 175.876 174.600 0.306 0.000 1.150 134 S CA -1.284 56.970 58.200 0.091 0.000 1.058 134 S CB 1.463 64.697 63.200 0.058 0.000 1.032 134 S HN -0.593 7.729 8.310 -0.192 -0.127 0.510 135 M N 0.794 120.706 119.600 0.519 0.000 2.337 135 M HA -0.259 4.487 4.480 0.445 0.000 0.261 135 M C -0.893 175.547 176.300 0.234 0.000 1.067 135 M CA 3.206 58.721 55.300 0.359 0.000 1.074 135 M CB -0.223 32.452 32.600 0.126 0.000 1.395 135 M HN 0.589 9.252 8.290 0.621 0.000 0.431 136 V N -1.236 118.798 119.914 0.200 0.000 2.588 136 V HA 0.061 4.300 4.120 0.199 0.000 0.304 136 V C -1.583 174.602 176.094 0.152 0.000 1.042 136 V CA -2.010 60.391 62.300 0.168 0.000 0.877 136 V CB 3.302 35.197 31.823 0.120 0.000 0.996 136 V HN -0.913 7.351 8.190 0.195 0.044 0.425 137 L N 7.904 129.244 121.223 0.194 0.000 2.361 137 L HA 0.046 4.473 4.340 0.145 0.000 0.278 137 L C -0.716 176.224 176.870 0.116 0.000 1.113 137 L CA 0.434 55.384 54.840 0.184 0.000 0.849 137 L CB -0.246 41.990 42.059 0.295 0.000 1.155 137 L HN 0.127 8.510 8.230 0.256 0.000 0.452 138 T N 3.200 117.798 114.554 0.072 0.000 2.681 138 T HA 0.097 4.468 4.350 0.035 0.000 0.296 138 T C -0.784 173.927 174.700 0.018 0.000 1.157 138 T CA -1.532 60.591 62.100 0.038 0.000 1.025 138 T CB 2.362 71.249 68.868 0.031 0.000 1.441 138 T HN -0.010 8.268 8.240 0.064 0.000 0.504 139 G N -0.135 108.669 108.800 0.007 0.000 2.633 139 G HA2 -0.353 3.605 3.960 -0.003 0.000 0.263 139 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.263 139 G C 0.399 175.291 174.900 -0.014 0.000 1.310 139 G CA 0.607 45.705 45.100 -0.002 0.000 0.914 139 G HN 0.091 8.385 8.290 0.007 0.000 0.569 140 E N 2.219 122.408 120.200 -0.017 0.000 2.284 140 E HA -0.439 3.889 4.350 -0.036 0.000 0.200 140 E C 1.177 177.734 176.600 -0.071 0.000 1.008 140 E CA 2.457 58.837 56.400 -0.034 0.000 0.829 140 E CB -0.356 29.331 29.700 -0.022 0.000 0.744 140 E HN 0.307 8.661 8.360 -0.010 0.000 0.491 141 A N -0.317 122.474 122.820 -0.048 0.000 1.908 141 A HA -0.400 3.850 4.320 -0.117 0.000 0.218 141 A C 1.952 179.441 177.584 -0.158 0.000 1.181 141 A CA 3.247 55.240 52.037 -0.074 0.000 0.627 141 A CB -0.966 18.056 19.000 0.037 0.000 0.818 141 A HN -0.415 7.682 8.150 -0.017 0.043 0.445 142 K N -2.874 117.494 120.400 -0.054 0.000 2.103 142 K HA -0.320 4.020 4.320 0.034 0.000 0.207 142 K C 2.469 179.023 176.600 -0.076 0.000 1.048 142 K CA 3.712 59.988 56.287 -0.019 0.000 0.930 142 K CB -0.403 32.108 32.500 0.017 0.000 0.716 142 K HN 0.276 8.321 8.250 -0.021 0.193 0.444 143 T N 1.553 116.047 114.554 -0.101 0.000 2.708 143 T HA -0.329 3.986 4.350 -0.059 0.000 0.266 143 T C 1.312 175.905 174.700 -0.178 0.000 1.037 143 T CA 4.524 66.564 62.100 -0.100 0.000 1.146 143 T CB -0.279 68.545 68.868 -0.074 0.000 0.865 143 T HN -0.853 7.227 8.240 -0.087 0.108 0.435 144 A N 2.009 124.619 122.820 -0.350 0.000 1.908 144 A HA -0.277 3.865 4.320 -0.296 0.000 0.218 144 A C 1.803 178.984 177.584 -0.672 0.000 1.181 144 A CA 3.289 54.964 52.037 -0.604 0.000 0.627 144 A CB -0.754 17.632 19.000 -1.024 0.000 0.818 144 A HN 0.022 7.903 8.150 -0.335 0.068 0.445 145 V N -1.978 117.518 119.914 -0.696 0.000 2.548 145 V HA -0.508 3.700 4.120 0.147 0.000 0.249 145 V C 1.683 177.841 176.094 0.106 0.000 1.055 145 V CA 4.721 66.954 62.300 -0.112 0.000 1.065 145 V CB 0.183 32.045 31.823 0.066 0.000 0.681 145 V HN 0.168 7.886 8.190 -0.672 0.069 0.462 146 E N 0.927 121.134 120.200 0.012 0.000 2.016 146 E HA -0.403 3.998 4.350 0.085 0.000 0.190 146 E C 2.310 178.934 176.600 0.040 0.000 0.985 146 E CA 3.813 60.240 56.400 0.045 0.000 0.802 146 E CB -0.353 29.356 29.700 0.015 0.000 0.762 146 E HN 0.445 8.530 8.360 -0.073 0.232 0.448 147 N N -0.018 118.690 118.700 0.014 0.000 2.036 147 N HA -0.330 4.413 4.740 0.004 0.000 0.195 147 N C 2.121 177.667 175.510 0.060 0.000 1.037 147 N CA 3.330 56.393 53.050 0.021 0.000 0.855 147 N CB -0.080 38.412 38.487 0.008 0.000 1.033 147 N HN 0.715 8.952 8.380 -0.025 0.128 0.423 148 Y N 0.925 121.220 120.300 -0.009 0.000 2.081 148 Y HA -0.408 4.152 4.550 0.017 0.000 0.280 148 Y C 1.570 177.486 175.900 0.027 0.000 1.163 148 Y CA 3.326 61.444 58.100 0.030 0.000 1.135 148 Y CB -0.092 38.436 38.460 0.113 0.000 0.970 148 Y HN -0.506 7.905 8.280 0.217 0.000 0.498 149 L N -2.003 119.169 121.223 -0.085 0.000 1.970 149 L HA -0.549 3.524 4.340 -0.445 0.000 0.212 149 L C 2.783 179.557 176.870 -0.160 0.000 1.071 149 L CA 3.024 57.751 54.840 -0.189 0.000 0.751 149 L CB -0.018 42.061 42.059 0.034 0.000 0.889 149 L HN -0.371 7.886 8.230 0.225 0.108 0.432 150 I N -1.243 119.287 120.570 -0.067 0.000 2.143 150 I HA -0.457 3.690 4.170 -0.039 0.000 0.245 150 I C 1.674 177.740 176.117 -0.084 0.000 1.068 150 I CA 2.856 64.125 61.300 -0.053 0.000 1.326 150 I CB -0.066 37.919 38.000 -0.025 0.000 1.028 150 I HN 0.734 8.816 8.210 -0.020 0.116 0.412 151 G N -3.265 105.468 108.800 -0.112 0.000 3.782 151 G HA2 0.142 4.048 3.960 -0.091 0.000 0.288 151 G HA3 0.142 4.048 3.960 -0.091 0.000 0.288 151 G C -0.603 174.172 174.900 -0.208 0.000 1.300 151 G CA -0.757 44.271 45.100 -0.120 0.000 1.261 151 G HN -0.405 7.755 8.290 -0.106 0.066 0.591 152 S N 2.757 118.300 115.700 -0.262 0.000 2.466 152 S HA 0.133 4.315 4.470 -0.561 -0.048 0.286 152 S C -0.354 174.134 174.600 -0.186 0.000 1.221 152 S CA -0.867 57.128 58.200 -0.342 0.000 1.091 152 S CB 0.007 63.031 63.200 -0.293 0.000 0.956 152 S HN 0.042 8.075 8.310 -0.208 0.152 0.501 153 P HA 0.099 4.462 4.420 -0.096 0.000 0.219 153 P C -0.938 176.320 177.300 -0.071 0.000 1.154 153 P CA 1.939 64.965 63.100 -0.124 0.000 0.826 153 P CB 0.344 31.951 31.700 -0.156 0.000 0.795 154 V N -9.305 110.577 119.914 -0.052 0.000 3.155 154 V HA 0.056 4.239 4.120 0.104 0.000 0.225 154 V C -0.635 175.580 176.094 0.202 0.000 1.462 154 V CA 0.070 62.426 62.300 0.093 0.000 1.270 154 V CB 0.665 32.553 31.823 0.108 0.000 1.112 154 V HN -0.628 7.502 8.190 -0.100 0.000 0.479 155 V N 4.682 124.728 119.914 0.219 0.000 2.529 155 V HA -0.220 4.165 4.120 0.442 0.000 0.249 155 V C -1.116 175.031 176.094 0.089 0.000 1.021 155 V CA 0.941 63.399 62.300 0.264 0.000 1.203 155 V CB -0.646 31.364 31.823 0.312 0.000 1.136 155 V HN -0.359 7.912 8.190 0.135 0.000 0.474 156 D N 5.946 126.436 120.400 0.150 0.000 2.359 156 D HA 0.070 4.735 4.640 0.043 0.000 0.250 156 D C 0.871 177.180 176.300 0.014 0.000 1.264 156 D CA -0.818 53.232 54.000 0.083 0.000 0.911 156 D CB -0.649 40.236 40.800 0.141 0.000 1.056 156 D HN -0.291 8.251 8.370 0.279 -0.004 0.499 157 S N 3.220 118.913 115.700 -0.011 0.000 2.374 157 S HA -0.509 3.924 4.470 -0.061 0.000 0.227 157 S C 0.712 175.316 174.600 0.007 0.000 1.037 157 S CA 2.866 61.056 58.200 -0.017 0.000 1.024 157 S CB -0.254 62.957 63.200 0.018 0.000 0.861 157 S HN -0.093 8.206 8.310 -0.018 0.000 0.456 158 Q N -0.917 118.903 119.800 0.033 0.000 2.376 158 Q HA -0.206 4.167 4.340 0.055 0.000 0.211 158 Q C 0.802 176.838 176.000 0.060 0.000 0.986 158 Q CA 2.184 58.017 55.803 0.051 0.000 0.886 158 Q CB -0.070 28.700 28.738 0.052 0.000 0.927 158 Q HN 0.053 8.341 8.270 0.032 0.001 0.457 159 K N -2.217 118.216 120.400 0.055 0.000 2.214 159 K HA -0.000 4.394 4.320 0.123 0.000 0.201 159 K C 0.861 177.458 176.600 -0.005 0.000 1.049 159 K CA 0.175 56.521 56.287 0.098 0.000 0.978 159 K CB 1.234 33.879 32.500 0.242 0.000 0.842 159 K HN -0.152 7.917 8.250 0.035 0.202 0.474 160 L N -0.829 120.273 121.223 -0.201 0.000 2.453 160 L HA -0.170 3.858 4.340 -0.520 0.000 0.274 160 L C -0.681 176.129 176.870 -0.101 0.000 1.270 160 L CA 1.254 55.901 54.840 -0.322 0.000 0.822 160 L CB 0.703 42.544 42.059 -0.363 0.000 1.091 160 L HN -0.485 7.553 8.230 -0.193 0.077 0.546 161 V N -2.007 117.843 119.914 -0.107 0.000 2.711 161 V HA 0.187 4.353 4.120 0.077 0.000 0.304 161 V C -1.131 174.952 176.094 -0.019 0.000 1.097 161 V CA -1.456 60.846 62.300 0.004 0.000 0.906 161 V CB 2.958 34.806 31.823 0.041 0.000 1.015 161 V HN -0.288 7.791 8.190 -0.185 0.000 0.427 162 Y N 7.165 127.469 120.300 0.007 0.000 2.385 162 Y HA -0.047 4.632 4.550 0.027 -0.113 0.346 162 Y C -0.126 175.793 175.900 0.031 0.000 1.270 162 Y CA 0.862 58.977 58.100 0.025 0.000 1.472 162 Y CB 1.108 39.590 38.460 0.037 0.000 1.354 162 Y HN 0.236 8.734 8.280 0.364 0.000 0.611 163 S N 0.382 116.226 115.700 0.240 0.000 2.558 163 S HA -0.308 4.257 4.470 0.130 -0.017 0.297 163 S C -0.472 174.249 174.600 0.202 0.000 1.283 163 S CA 1.696 60.017 58.200 0.201 0.000 1.044 163 S CB 0.441 63.786 63.200 0.242 0.000 0.789 163 S HN 0.196 8.625 8.310 0.288 0.054 0.500 164 D N 3.121 123.659 120.400 0.230 0.000 2.732 164 D HA 0.018 4.701 4.640 0.072 0.000 0.203 164 D C -1.148 175.271 176.300 0.199 0.000 1.342 164 D CA 0.506 54.594 54.000 0.147 0.000 1.190 164 D CB 0.504 41.364 40.800 0.101 0.000 1.406 164 D HN -0.040 8.503 8.370 0.289 0.000 0.597 165 F N -0.010 119.959 119.950 0.033 0.000 2.549 165 F HA 0.279 4.862 4.527 0.092 0.000 0.275 165 F C -1.036 174.779 175.800 0.025 0.000 0.990 165 F CA -0.185 57.843 58.000 0.047 0.000 1.274 165 F CB 1.026 40.040 39.000 0.023 0.000 1.064 165 F HN -0.235 8.078 8.300 0.023 0.000 0.715 166 S N -0.791 114.152 115.700 -1.261 0.000 3.294 166 S HA -0.282 3.587 4.470 -1.000 0.000 0.853 166 S C 1.226 175.611 174.600 -0.358 0.000 1.111 166 S CA 0.368 58.093 58.200 -0.792 0.000 1.104 166 S CB 0.580 63.582 63.200 -0.329 0.000 0.765 166 S HN -0.596 6.047 8.310 -2.778 0.000 0.265 167 E N 2.939 123.011 120.200 -0.214 0.000 2.208 167 E HA -0.466 3.966 4.350 0.136 0.000 0.202 167 E C 1.544 178.168 176.600 0.039 0.000 1.014 167 E CA 3.700 60.107 56.400 0.011 0.000 0.819 167 E CB 0.096 29.798 29.700 0.003 0.000 0.735 167 E HN 0.510 8.710 8.360 -0.267 0.000 0.469 168 A N -1.777 121.032 122.820 -0.017 0.000 1.948 168 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 168 A C 1.188 178.789 177.584 0.028 0.000 1.177 168 A CA 2.358 54.391 52.037 -0.008 0.000 0.636 168 A CB -1.123 17.851 19.000 -0.044 0.000 0.815 168 A HN 0.041 8.134 8.150 -0.071 0.014 0.449 169 A N -2.776 120.094 122.820 0.084 0.000 1.851 169 A HA -0.329 4.047 4.320 0.093 0.000 0.216 169 A C 1.278 178.950 177.584 0.147 0.000 1.195 169 A CA 2.952 55.085 52.037 0.161 0.000 0.622 169 A CB -0.479 18.726 19.000 0.341 0.000 0.831 169 A HN 0.053 8.120 8.150 0.073 0.128 0.444 170 c N -2.134 116.572 118.600 0.176 0.000 2.455 170 c HA -0.333 4.285 4.570 0.081 0.000 0.281 170 c C 0.516 174.648 174.090 0.070 0.000 1.237 170 c CA 2.593 58.987 56.329 0.108 0.000 1.726 170 c CB 0.045 42.623 42.510 0.114 0.000 2.068 170 c HN -0.582 7.806 8.230 0.263 0.000 0.466 171 K N 0.275 120.714 120.400 0.065 0.000 2.477 171 K HA -0.316 4.026 4.320 0.036 0.000 0.275 171 K C -0.650 175.974 176.600 0.041 0.000 1.054 171 K CA 1.185 57.498 56.287 0.044 0.000 1.135 171 K CB -0.294 32.229 32.500 0.038 0.000 0.854 171 K HN -0.098 8.095 8.250 0.079 0.104 0.484 172 V N 5.557 125.495 119.914 0.040 0.000 2.713 172 V HA 0.010 4.156 4.120 0.043 0.000 0.307 172 V C -0.668 175.450 176.094 0.041 0.000 1.052 172 V CA -1.383 60.943 62.300 0.044 0.000 0.967 172 V CB 2.459 34.312 31.823 0.050 0.000 1.019 172 V HN 0.220 8.432 8.190 0.037 0.000 0.459 173 N N 5.207 123.929 118.700 0.037 0.000 2.412 173 N HA -0.277 4.481 4.740 0.030 0.000 0.279 173 N C -0.473 175.061 175.510 0.040 0.000 1.287 173 N CA 0.745 53.815 53.050 0.033 0.000 0.948 173 N CB -0.121 38.383 38.487 0.028 0.000 1.255 173 N HN 0.240 8.642 8.380 0.037 0.000 0.485 174 N N 2.975 121.702 118.700 0.044 0.000 2.584 174 N HA -0.389 4.386 4.740 0.059 0.000 0.291 174 N C -1.823 173.723 175.510 0.060 0.000 1.203 174 N CA 1.387 54.469 53.050 0.052 0.000 0.735 174 N CB -0.596 37.916 38.487 0.042 0.000 0.936 174 N HN 0.344 8.750 8.380 0.043 0.000 0.549 175 S N 0.161 115.905 115.700 0.074 0.000 2.622 175 S HA -0.044 4.481 4.470 0.091 0.000 0.275 175 S C -1.797 172.860 174.600 0.095 0.000 1.112 175 S CA -0.196 58.053 58.200 0.083 0.000 0.837 175 S CB 1.336 64.576 63.200 0.066 0.000 1.082 175 S HN 0.092 8.449 8.310 0.077 0.000 0.456 176 N N 3.062 121.832 118.700 0.117 0.000 2.584 176 N HA -0.207 4.629 4.740 0.160 0.000 0.291 176 N C -0.707 174.841 175.510 0.064 0.000 1.203 176 N CA 0.535 53.640 53.050 0.092 0.000 0.735 176 N CB -0.082 38.411 38.487 0.011 0.000 0.936 176 N HN 0.188 8.643 8.380 0.125 0.000 0.549 177 W N 0.726 122.020 121.300 -0.009 0.000 2.477 177 W HA -0.150 4.507 4.660 -0.005 0.000 0.339 177 W C -1.334 175.153 176.519 -0.053 0.000 1.195 177 W CA -0.999 56.336 57.345 -0.017 0.000 1.324 177 W CB -0.202 29.250 29.460 -0.013 0.000 1.170 177 W HN -0.074 8.478 8.180 0.619 0.000 0.570 178 S N 2.220 117.879 115.700 -0.069 0.000 2.704 178 S HA 0.145 4.226 4.470 -0.648 0.000 0.296 178 S C -1.275 173.273 174.600 -0.087 0.000 1.138 178 S CA -0.887 57.144 58.200 -0.283 0.000 0.875 178 S CB 1.402 64.520 63.200 -0.136 0.000 1.151 178 S HN -0.304 8.074 8.310 0.114 0.000 0.500 179 H N -0.583 118.459 119.070 -0.046 0.000 2.492 179 H HA 0.583 5.183 4.556 0.074 0.000 0.345 179 H C -2.225 173.122 175.328 0.033 0.000 1.136 179 H CA -3.288 52.772 56.048 0.020 0.000 1.202 179 H CB -0.705 29.056 29.762 -0.001 0.000 1.524 179 H HN 0.176 8.222 8.280 -0.390 0.000 0.506 180 P HA 0.185 4.683 4.420 0.131 0.000 0.297 180 P C -0.690 176.659 177.300 0.083 0.000 1.303 180 P CA -0.232 62.947 63.100 0.133 0.000 0.753 180 P CB 1.471 33.243 31.700 0.121 0.000 1.281 181 Q N -2.043 117.815 119.800 0.098 0.000 2.943 181 Q HA 0.329 4.707 4.340 0.064 0.000 0.341 181 Q C -1.550 174.591 176.000 0.236 0.000 0.858 181 Q CA -0.278 55.585 55.803 0.100 0.000 0.804 181 Q CB 2.369 31.137 28.738 0.050 0.000 1.399 181 Q HN 0.093 8.431 8.270 0.114 0.000 0.511 182 F N -0.677 119.262 119.950 -0.019 0.000 2.693 182 F HA 0.240 4.762 4.527 -0.008 0.000 0.309 182 F C -1.647 174.144 175.800 -0.015 0.000 1.129 182 F CA -0.360 57.632 58.000 -0.013 0.000 0.948 182 F CB 1.890 40.883 39.000 -0.012 0.000 1.315 182 F HN -0.126 8.280 8.300 0.177 0.000 0.447 183 E N 2.988 122.954 120.200 -0.390 0.000 2.263 183 E HA 0.268 4.578 4.350 -0.068 0.000 0.268 183 E C -0.811 175.642 176.600 -0.245 0.000 0.884 183 E CA -0.308 55.959 56.400 -0.221 0.000 0.766 183 E CB 1.184 30.764 29.700 -0.200 0.000 1.196 183 E HN 0.239 7.961 8.360 -1.063 0.000 0.416 184 K N 0.000 120.367 120.400 -0.056 0.000 2.780 184 K HA 0.000 4.359 4.320 0.065 0.000 0.191 184 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 184 K CB 0.000 32.511 32.500 0.019 0.000 1.064 184 K HN 0.000 8.243 8.250 -0.011 0.000 0.543