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 3fku_1_B DATA FIRST_RESID 1 DATA SEQUENCE GLFGAIAGFI EGGWQGMVDG WYGYHHSNEQ GSGYAADKES TQKAIDGVTN DATA SEQUENCE KVNSIIDKMN TQFEAVGREF NNLERRIENL NKKMEDGFLD VWTYNAELLV DATA SEQUENCE LMENERTLDF HDSNVKNLYD KVRLQLRDNA KELGNGCFEF YHKcDNEcME DATA SEQUENCE SVRNGTYDYP QYSEEARLKR EEISGVRSLV 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 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 1 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 1 G C 0.000 174.916 174.900 0.026 0.000 0.946 1 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 2 L N -0.513 120.756 121.223 0.076 0.000 1.976 2 L HA 0.094 4.436 4.340 0.003 0.000 0.209 2 L C 2.707 179.604 176.870 0.046 0.000 1.071 2 L CA 1.569 56.454 54.840 0.075 0.000 0.746 2 L CB -0.323 41.826 42.059 0.152 0.000 0.890 2 L HN 0.357 8.587 8.230 -0.000 0.000 0.432 3 F N -0.129 119.803 119.950 -0.029 0.000 2.661 3 F HA 0.095 4.624 4.527 0.003 0.000 0.298 3 F C 1.788 177.577 175.800 -0.020 0.000 1.137 3 F CA 0.861 58.848 58.000 -0.021 0.000 1.454 3 F CB -0.360 38.619 39.000 -0.035 0.000 1.103 3 F HN 0.233 8.533 8.300 -0.000 0.000 0.577 4 G N -0.246 108.601 108.800 0.077 0.000 2.147 4 G HA2 -0.269 3.693 3.960 0.003 0.000 0.244 4 G HA3 -0.269 3.693 3.960 0.003 0.000 0.244 4 G C 1.026 175.797 174.900 -0.215 0.000 1.005 4 G CA 0.428 45.522 45.100 -0.010 0.000 0.713 4 G HN 0.616 8.906 8.290 -0.000 0.000 0.515 5 A N -0.404 122.232 122.820 -0.306 0.000 1.941 5 A HA 0.668 4.990 4.320 0.003 0.000 0.214 5 A C 1.222 178.461 177.584 -0.576 0.000 1.368 5 A CA 0.792 52.399 52.037 -0.716 0.000 0.651 5 A CB 0.017 18.777 19.000 -0.401 0.000 1.064 5 A HN 0.764 8.914 8.150 -0.000 0.000 0.492 6 I N 0.305 120.674 120.570 -0.336 0.000 2.598 6 I HA 0.277 4.449 4.170 0.003 0.000 0.284 6 I C 1.165 177.146 176.117 -0.227 0.000 1.140 6 I CA 0.656 61.793 61.300 -0.271 0.000 1.420 6 I CB 0.564 38.447 38.000 -0.196 0.000 1.387 6 I HN 0.639 8.849 8.210 -0.000 0.000 0.553 7 A N 4.273 126.961 122.820 -0.220 0.000 2.872 7 A HA -0.127 4.194 4.320 0.003 0.000 0.273 7 A C 0.699 178.178 177.584 -0.174 0.000 1.442 7 A CA 0.941 52.878 52.037 -0.165 0.000 0.801 7 A CB -2.101 16.828 19.000 -0.119 0.000 1.031 7 A HN 1.047 9.197 8.150 -0.000 0.000 0.582 8 G N -1.442 107.196 108.800 -0.270 0.000 3.302 8 G HA2 0.600 4.561 3.960 0.003 0.000 0.170 8 G HA3 0.600 4.561 3.960 0.003 0.000 0.170 8 G C 0.636 175.373 174.900 -0.271 0.000 1.119 8 G CA 0.106 45.045 45.100 -0.268 0.000 0.826 8 G HN 1.014 9.304 8.290 -0.000 0.000 0.646 9 F N 0.582 120.460 119.950 -0.121 0.000 2.154 9 F HA 0.134 4.663 4.527 0.002 0.000 0.301 9 F C 1.402 177.128 175.800 -0.124 0.000 1.087 9 F CA 0.426 58.346 58.000 -0.133 0.000 1.274 9 F CB -0.761 38.124 39.000 -0.191 0.000 1.009 9 F HN -0.066 8.234 8.300 -0.000 0.000 0.485 10 I N 2.953 123.228 120.570 -0.491 0.000 2.349 10 I HA 0.053 4.224 4.170 0.003 0.000 0.302 10 I C -0.304 175.671 176.117 -0.236 0.000 1.180 10 I CA 0.062 61.198 61.300 -0.273 0.000 1.405 10 I CB -0.543 37.229 38.000 -0.381 0.000 1.474 10 I HN 0.229 8.439 8.210 -0.000 0.000 0.632 11 E N 5.835 125.971 120.200 -0.108 0.000 2.081 11 E HA 0.383 4.735 4.350 0.003 0.000 0.270 11 E C 0.807 177.357 176.600 -0.083 0.000 1.180 11 E CA -0.187 56.160 56.400 -0.087 0.000 0.926 11 E CB 0.495 30.177 29.700 -0.030 0.000 1.035 11 E HN 0.820 9.180 8.360 -0.000 0.000 0.418 12 G N 2.368 111.092 108.800 -0.126 0.000 2.787 12 G HA2 -0.114 3.847 3.960 0.003 0.000 0.685 12 G HA3 -0.114 3.847 3.960 0.003 0.000 0.685 12 G C 0.173 174.956 174.900 -0.196 0.000 1.437 12 G CA -0.783 44.245 45.100 -0.121 0.000 0.872 12 G HN 0.692 8.982 8.290 -0.000 0.000 0.566 13 G N -0.587 108.098 108.800 -0.192 0.000 2.477 13 G HA2 0.583 4.545 3.960 0.003 0.000 0.304 13 G HA3 0.583 4.545 3.960 0.003 0.000 0.304 13 G C -0.014 174.790 174.900 -0.160 0.000 1.175 13 G CA -0.533 44.392 45.100 -0.292 0.000 0.907 13 G HN 0.753 9.043 8.290 -0.000 0.000 0.509 14 W N 0.708 121.978 121.300 -0.051 0.000 2.338 14 W HA 0.318 4.980 4.660 0.004 0.000 0.307 14 W C 0.819 177.229 176.519 -0.182 0.000 1.167 14 W CA -0.891 56.395 57.345 -0.097 0.000 1.208 14 W CB 0.828 30.227 29.460 -0.102 0.000 1.228 14 W HN 0.536 8.716 8.180 -0.000 0.000 0.499 15 Q N 2.065 121.900 119.800 0.058 0.000 2.172 15 Q HA -0.051 4.291 4.340 0.003 0.000 0.200 15 Q C 2.130 178.061 176.000 -0.115 0.000 0.964 15 Q CA 1.303 57.092 55.803 -0.022 0.000 0.855 15 Q CB -0.444 28.296 28.738 0.003 0.000 0.918 15 Q HN 0.812 9.082 8.270 -0.000 0.000 0.444 16 G N 0.952 109.597 108.800 -0.259 0.000 2.498 16 G HA2 -0.151 3.811 3.960 0.003 0.000 0.219 16 G HA3 -0.151 3.811 3.960 0.003 0.000 0.219 16 G C 0.768 175.295 174.900 -0.622 0.000 1.119 16 G CA -0.035 44.771 45.100 -0.491 0.000 0.766 16 G HN 0.240 8.530 8.290 -0.000 0.000 0.552 17 M N 1.749 121.039 119.600 -0.517 0.000 2.077 17 M HA 0.379 4.860 4.480 0.003 0.000 0.348 17 M C 1.087 177.340 176.300 -0.078 0.000 1.252 17 M CA -0.474 54.706 55.300 -0.199 0.000 1.096 17 M CB 1.484 34.107 32.600 0.039 0.000 1.568 17 M HN -0.022 8.268 8.290 -0.000 0.000 0.456 18 V N 1.867 121.751 119.914 -0.050 0.000 3.455 18 V HA 0.120 4.241 4.120 0.003 0.000 0.250 18 V C 1.128 177.196 176.094 -0.043 0.000 1.230 18 V CA 0.769 63.044 62.300 -0.042 0.000 1.105 18 V CB -0.003 31.800 31.823 -0.034 0.000 0.850 18 V HN 0.823 9.013 8.190 -0.000 0.000 0.461 19 D N 2.006 122.393 120.400 -0.021 0.000 2.310 19 D HA 0.210 4.851 4.640 0.003 0.000 0.212 19 D C 1.102 177.360 176.300 -0.069 0.000 0.965 19 D CA 1.493 55.475 54.000 -0.029 0.000 0.879 19 D CB 0.432 41.238 40.800 0.011 0.000 0.921 19 D HN 0.725 9.095 8.370 -0.000 0.000 0.510 20 G N -1.005 107.749 108.800 -0.077 0.000 2.495 20 G HA2 0.169 4.131 3.960 0.003 0.000 0.294 20 G HA3 0.169 4.131 3.960 0.003 0.000 0.294 20 G C -0.922 173.910 174.900 -0.113 0.000 1.397 20 G CA -0.739 44.274 45.100 -0.144 0.000 0.790 20 G HN -0.102 8.188 8.290 -0.000 0.000 0.486 21 W N -0.286 120.804 121.300 -0.350 0.000 2.576 21 W HA 0.295 4.956 4.660 0.002 0.000 0.270 21 W C 0.043 176.152 176.519 -0.683 0.000 1.255 21 W CA 0.401 57.370 57.345 -0.628 0.000 1.314 21 W CB -0.374 28.481 29.460 -1.008 0.000 1.101 21 W HN 0.385 8.565 8.180 -0.000 0.000 0.595 22 Y N -1.036 119.349 120.300 0.141 0.000 2.524 22 Y HA 0.712 5.264 4.550 0.003 0.000 0.347 22 Y C 0.617 176.524 175.900 0.011 0.000 1.005 22 Y CA -0.899 57.203 58.100 0.005 0.000 1.025 22 Y CB 1.435 39.874 38.460 -0.034 0.000 1.275 22 Y HN -0.166 8.114 8.280 -0.000 0.000 0.460 23 G N 0.198 109.074 108.800 0.126 0.000 2.427 23 G HA2 0.504 4.466 3.960 0.003 0.000 0.306 23 G HA3 0.504 4.466 3.960 0.003 0.000 0.306 23 G C -2.553 172.435 174.900 0.147 0.000 1.280 23 G CA -0.950 44.222 45.100 0.121 0.000 0.837 23 G HN 0.383 8.673 8.290 -0.000 0.000 0.482 24 Y N -0.433 120.152 120.300 0.476 0.000 2.446 24 Y HA 0.698 5.249 4.550 0.002 0.000 0.345 24 Y C 0.100 176.167 175.900 0.279 0.000 0.984 24 Y CA -0.810 57.546 58.100 0.427 0.000 1.058 24 Y CB 2.178 40.774 38.460 0.226 0.000 1.220 24 Y HN 0.849 9.129 8.280 -0.000 0.000 0.455 25 H N 2.034 121.167 119.070 0.105 0.000 2.573 25 H HA 0.625 5.182 4.556 0.002 0.000 0.351 25 H C -0.922 174.354 175.328 -0.086 0.000 1.163 25 H CA -0.611 55.249 56.048 -0.313 0.000 1.205 25 H CB 1.012 30.241 29.762 -0.887 0.000 1.605 25 H HN 0.810 9.090 8.280 -0.000 0.000 0.525 26 H N 0.773 119.445 119.070 -0.663 0.000 2.931 26 H HA 0.679 5.236 4.556 0.002 0.000 0.331 26 H C -1.424 173.648 175.328 -0.427 0.000 1.273 26 H CA -1.481 54.375 56.048 -0.321 0.000 1.171 26 H CB 1.243 30.918 29.762 -0.146 0.000 1.898 26 H HN 0.479 8.759 8.280 -0.000 0.000 0.562 27 S N 0.848 116.533 115.700 -0.025 0.000 2.566 27 S HA 0.579 5.050 4.470 0.003 0.000 0.273 27 S C -1.659 172.827 174.600 -0.191 0.000 1.157 27 S CA -0.654 57.481 58.200 -0.108 0.000 0.938 27 S CB 0.417 63.621 63.200 0.007 0.000 1.087 27 S HN 1.134 9.444 8.310 -0.000 0.000 0.474 28 N N 2.050 120.603 118.700 -0.244 0.000 0.000 28 N HA 0.321 5.063 4.740 0.003 0.000 0.000 28 N C 0.246 175.675 175.510 -0.135 0.000 0.000 28 N CA -0.618 52.322 53.050 -0.184 0.000 0.000 28 N CB 0.092 38.434 38.487 -0.243 0.000 0.000 28 N HN 0.357 8.737 8.380 -0.000 0.000 0.000 29 E N -0.123 120.017 120.200 -0.099 0.000 2.160 29 E HA -0.199 4.152 4.350 0.003 0.000 0.195 29 E C 1.242 177.803 176.600 -0.064 0.000 0.991 29 E CA 1.883 58.243 56.400 -0.066 0.000 0.810 29 E CB 0.115 29.786 29.700 -0.048 0.000 0.742 29 E HN 0.742 9.102 8.360 -0.000 0.000 0.466 30 Q N -0.961 118.789 119.800 -0.084 0.000 2.287 30 Q HA 0.190 4.532 4.340 0.003 0.000 0.201 30 Q C 1.349 177.307 176.000 -0.071 0.000 0.946 30 Q CA 0.774 56.538 55.803 -0.066 0.000 0.868 30 Q CB -0.130 28.572 28.738 -0.060 0.000 0.967 30 Q HN -0.001 8.269 8.270 -0.000 0.000 0.516 31 G N 0.668 109.389 108.800 -0.132 0.000 2.557 31 G HA2 0.482 4.443 3.960 0.003 0.000 0.302 31 G HA3 0.482 4.443 3.960 0.003 0.000 0.302 31 G C -1.059 173.787 174.900 -0.090 0.000 1.311 31 G CA -0.067 44.969 45.100 -0.105 0.000 1.030 31 G HN 0.205 8.495 8.290 -0.000 0.000 0.509 32 S N -1.784 113.958 115.700 0.069 0.000 2.674 32 S HA 0.583 5.055 4.470 0.003 0.000 0.321 32 S C -0.602 173.942 174.600 -0.094 0.000 0.934 32 S CA 0.594 58.799 58.200 0.010 0.000 0.827 32 S CB 0.476 63.648 63.200 -0.045 0.000 1.041 32 S HN 2.598 10.908 8.310 -0.000 0.000 0.470 33 G N 2.715 111.215 108.800 -0.500 0.000 2.347 33 G HA2 0.380 4.341 3.960 0.003 0.000 0.303 33 G HA3 0.380 4.341 3.960 0.003 0.000 0.303 33 G C -1.763 172.712 174.900 -0.708 0.000 1.481 33 G CA -0.766 44.006 45.100 -0.547 0.000 0.914 33 G HN 0.740 9.030 8.290 -0.000 0.000 0.638 34 Y N -0.138 120.040 120.300 -0.204 0.000 2.295 34 Y HA 0.598 5.149 4.550 0.002 0.000 0.331 34 Y C 0.919 176.781 175.900 -0.063 0.000 1.311 34 Y CA 0.633 58.677 58.100 -0.095 0.000 1.430 34 Y CB 1.822 40.304 38.460 0.036 0.000 1.339 34 Y HN 1.210 9.490 8.280 -0.000 0.000 0.552 35 A N 0.755 123.725 122.820 0.251 0.000 2.508 35 A HA 0.614 4.935 4.320 0.003 0.000 0.297 35 A C -1.101 176.659 177.584 0.294 0.000 1.036 35 A CA -0.423 51.729 52.037 0.192 0.000 0.957 35 A CB -0.329 18.724 19.000 0.087 0.000 1.428 35 A HN 0.933 9.083 8.150 -0.000 0.000 0.393 36 A N 1.631 124.587 122.820 0.226 0.000 2.407 36 A HA 0.521 4.843 4.320 0.003 0.000 0.248 36 A C 0.264 177.997 177.584 0.247 0.000 1.082 36 A CA 0.159 52.328 52.037 0.220 0.000 0.785 36 A CB 0.172 19.245 19.000 0.121 0.000 1.020 36 A HN 0.832 8.982 8.150 -0.000 0.000 0.489 37 D N 1.666 122.231 120.400 0.275 0.000 2.713 37 D HA 0.140 4.782 4.640 0.003 0.000 0.229 37 D C 1.123 177.551 176.300 0.213 0.000 1.136 37 D CA 0.165 54.348 54.000 0.305 0.000 1.010 37 D CB -0.198 40.793 40.800 0.318 0.000 1.084 37 D HN 0.540 8.910 8.370 -0.000 0.000 0.495 38 K N 0.685 121.176 120.400 0.151 0.000 2.034 38 K HA -0.250 4.071 4.320 0.003 0.000 0.214 38 K C 1.686 178.351 176.600 0.108 0.000 1.051 38 K CA 1.368 57.711 56.287 0.094 0.000 0.931 38 K CB 0.016 32.550 32.500 0.057 0.000 0.715 38 K HN 0.394 8.644 8.250 -0.000 0.000 0.446 39 E N 0.552 120.822 120.200 0.116 0.000 2.187 39 E HA -0.239 4.113 4.350 0.003 0.000 0.199 39 E C 1.772 178.453 176.600 0.134 0.000 1.004 39 E CA 1.750 58.215 56.400 0.109 0.000 0.813 39 E CB 0.082 29.845 29.700 0.104 0.000 0.736 39 E HN 0.381 8.741 8.360 -0.000 0.000 0.468 40 S N -1.944 113.863 115.700 0.178 0.000 2.497 40 S HA 0.036 4.507 4.470 0.003 0.000 0.221 40 S C 1.951 176.756 174.600 0.342 0.000 1.037 40 S CA 0.509 58.835 58.200 0.211 0.000 0.920 40 S CB 0.163 63.461 63.200 0.162 0.000 0.800 40 S HN 0.090 8.400 8.310 -0.000 0.000 0.505 41 T N 2.259 117.024 114.554 0.351 0.000 2.759 41 T HA -0.136 4.216 4.350 0.003 0.000 0.269 41 T C 1.853 176.654 174.700 0.168 0.000 1.042 41 T CA 2.024 64.277 62.100 0.255 0.000 1.140 41 T CB -0.425 68.454 68.868 0.019 0.000 0.864 41 T HN 0.539 8.779 8.240 -0.000 0.000 0.455 42 Q N 1.322 121.195 119.800 0.122 0.000 2.083 42 Q HA 0.033 4.375 4.340 0.003 0.000 0.198 42 Q C 2.135 178.214 176.000 0.133 0.000 0.969 42 Q CA 1.694 57.544 55.803 0.079 0.000 0.838 42 Q CB -0.262 28.511 28.738 0.058 0.000 0.900 42 Q HN 0.434 8.704 8.270 -0.000 0.000 0.436 43 K N -0.727 119.775 120.400 0.170 0.000 2.097 43 K HA -0.092 4.230 4.320 0.003 0.000 0.206 43 K C 1.868 178.627 176.600 0.266 0.000 1.049 43 K CA 1.136 57.531 56.287 0.181 0.000 0.933 43 K CB -0.290 32.308 32.500 0.163 0.000 0.717 43 K HN 0.263 8.513 8.250 -0.000 0.000 0.442 44 A N 1.526 124.569 122.820 0.372 0.000 1.858 44 A HA -0.156 4.165 4.320 0.003 0.000 0.216 44 A C 2.080 179.981 177.584 0.528 0.000 1.190 44 A CA 1.537 53.908 52.037 0.556 0.000 0.617 44 A CB -0.641 18.789 19.000 0.716 0.000 0.827 44 A HN 0.330 8.480 8.150 -0.000 0.000 0.443 45 I N -0.023 120.805 120.570 0.429 0.000 2.151 45 I HA -0.295 3.876 4.170 0.003 0.000 0.243 45 I C 1.876 178.096 176.117 0.173 0.000 1.080 45 I CA 1.817 63.277 61.300 0.267 0.000 1.339 45 I CB -0.733 37.268 38.000 0.003 0.000 1.039 45 I HN 0.272 8.482 8.210 -0.000 0.000 0.409 46 D N 0.994 121.475 120.400 0.135 0.000 2.203 46 D HA -0.156 4.485 4.640 0.003 0.000 0.199 46 D C 2.034 178.379 176.300 0.075 0.000 0.997 46 D CA 1.486 55.540 54.000 0.089 0.000 0.863 46 D CB -0.450 40.398 40.800 0.081 0.000 0.928 46 D HN 0.449 8.819 8.370 -0.000 0.000 0.458 47 G N 0.160 109.021 108.800 0.101 0.000 2.496 47 G HA2 -0.167 3.794 3.960 0.003 0.000 0.214 47 G HA3 -0.167 3.794 3.960 0.003 0.000 0.214 47 G C 1.822 176.710 174.900 -0.019 0.000 1.234 47 G CA 0.674 45.769 45.100 -0.009 0.000 0.807 47 G HN 0.221 8.511 8.290 -0.000 0.000 0.543 48 V N 1.184 121.134 119.914 0.059 0.000 2.370 48 V HA -0.235 3.887 4.120 0.003 0.000 0.252 48 V C 3.177 179.315 176.094 0.073 0.000 1.068 48 V CA 2.461 64.808 62.300 0.079 0.000 1.061 48 V CB -0.917 31.048 31.823 0.237 0.000 0.656 48 V HN 0.412 8.602 8.190 -0.000 0.000 0.455 49 T N 0.018 114.623 114.554 0.085 0.000 2.708 49 T HA -0.162 4.190 4.350 0.003 0.000 0.266 49 T C 1.837 176.552 174.700 0.024 0.000 1.037 49 T CA 1.600 63.732 62.100 0.054 0.000 1.146 49 T CB -0.388 68.508 68.868 0.047 0.000 0.865 49 T HN 0.465 8.705 8.240 -0.000 0.000 0.435 50 N N 1.060 119.768 118.700 0.012 0.000 2.149 50 N HA -0.090 4.652 4.740 0.003 0.000 0.188 50 N C 1.805 177.306 175.510 -0.015 0.000 1.019 50 N CA 0.971 54.018 53.050 -0.005 0.000 0.857 50 N CB -0.262 38.216 38.487 -0.014 0.000 0.997 50 N HN 0.455 8.835 8.380 -0.000 0.000 0.426 51 K N 1.257 121.640 120.400 -0.028 0.000 2.009 51 K HA -0.136 4.185 4.320 0.003 0.000 0.210 51 K C 1.955 178.548 176.600 -0.011 0.000 1.049 51 K CA 1.744 58.011 56.287 -0.034 0.000 0.929 51 K CB -0.037 32.429 32.500 -0.057 0.000 0.714 51 K HN 0.054 8.304 8.250 -0.000 0.000 0.440 52 V N -0.177 119.740 119.914 0.004 0.000 2.287 52 V HA -0.286 3.836 4.120 0.003 0.000 0.248 52 V C 1.621 177.718 176.094 0.006 0.000 1.053 52 V CA 2.391 64.698 62.300 0.010 0.000 1.027 52 V CB -1.219 30.616 31.823 0.020 0.000 0.646 52 V HN 0.353 8.543 8.190 -0.000 0.000 0.447 53 N N 0.592 119.295 118.700 0.005 0.000 2.364 53 N HA -0.107 4.634 4.740 0.003 0.000 0.183 53 N C 1.920 177.429 175.510 -0.000 0.000 1.022 53 N CA 1.255 54.306 53.050 0.002 0.000 0.883 53 N CB -0.213 38.276 38.487 0.002 0.000 0.965 53 N HN 0.478 8.858 8.380 -0.000 0.000 0.438 54 S N 0.350 116.049 115.700 -0.002 0.000 2.387 54 S HA 0.045 4.516 4.470 0.003 0.000 0.226 54 S C 1.821 176.425 174.600 0.007 0.000 1.026 54 S CA 0.613 58.813 58.200 -0.000 0.000 0.972 54 S CB -0.033 63.163 63.200 -0.007 0.000 0.814 54 S HN 0.294 8.604 8.310 -0.000 0.000 0.477 55 I N 1.270 121.844 120.570 0.007 0.000 2.286 55 I HA -0.102 4.070 4.170 0.003 0.000 0.245 55 I C 1.969 178.092 176.117 0.009 0.000 1.104 55 I CA 1.003 62.312 61.300 0.015 0.000 1.397 55 I CB -0.444 37.564 38.000 0.014 0.000 1.072 55 I HN 0.234 8.444 8.210 -0.000 0.000 0.417 56 I N 1.176 121.746 120.570 0.001 0.000 2.208 56 I HA -0.297 3.874 4.170 0.003 0.000 0.245 56 I C 1.717 177.827 176.117 -0.013 0.000 1.097 56 I CA 1.545 62.840 61.300 -0.009 0.000 1.363 56 I CB -0.569 37.425 38.000 -0.010 0.000 1.051 56 I HN 0.217 8.427 8.210 -0.000 0.000 0.413 57 D N 0.586 120.983 120.400 -0.005 0.000 2.350 57 D HA -0.108 4.534 4.640 0.003 0.000 0.216 57 D C 1.930 178.232 176.300 0.003 0.000 0.968 57 D CA 0.768 54.766 54.000 -0.004 0.000 0.894 57 D CB -0.026 40.775 40.800 0.000 0.000 0.909 57 D HN 0.085 8.455 8.370 -0.000 0.000 0.520 58 K N -0.387 120.021 120.400 0.013 0.000 2.323 58 K HA 0.199 4.520 4.320 0.003 0.000 0.197 58 K C 0.672 177.279 176.600 0.012 0.000 1.043 58 K CA 0.357 56.665 56.287 0.036 0.000 0.997 58 K CB 0.290 32.831 32.500 0.067 0.000 0.807 58 K HN 0.074 8.324 8.250 -0.000 0.000 0.497 59 M N 0.969 120.552 119.600 -0.027 0.000 3.346 59 M HA 0.229 4.711 4.480 0.003 0.000 0.240 59 M C -0.504 175.719 176.300 -0.128 0.000 1.190 59 M CA 0.262 55.499 55.300 -0.104 0.000 1.192 59 M CB -0.632 31.919 32.600 -0.081 0.000 1.182 59 M HN 0.006 8.296 8.290 -0.000 0.000 0.570 60 N N -0.241 118.394 118.700 -0.108 0.000 2.297 60 N HA 0.023 4.765 4.740 0.003 0.000 0.208 60 N C 0.484 175.921 175.510 -0.121 0.000 1.176 60 N CA 0.184 53.168 53.050 -0.109 0.000 0.882 60 N CB 0.781 39.228 38.487 -0.067 0.000 1.134 60 N HN 0.315 8.695 8.380 -0.000 0.000 0.489 61 T N -1.319 113.172 114.554 -0.104 0.000 3.221 61 T HA 0.285 4.637 4.350 0.003 0.000 0.246 61 T C 0.268 174.883 174.700 -0.141 0.000 0.952 61 T CA -0.485 61.567 62.100 -0.081 0.000 0.994 61 T CB 0.122 68.987 68.868 -0.004 0.000 1.127 61 T HN 0.000 8.240 8.240 -0.000 0.000 0.549 62 Q N 0.544 120.105 119.800 -0.398 0.000 2.697 62 Q HA 0.298 4.639 4.340 0.003 0.000 0.196 62 Q C -0.321 175.487 176.000 -0.319 0.000 1.121 62 Q CA -0.550 54.727 55.803 -0.876 0.000 1.151 62 Q CB 0.359 28.414 28.738 -1.138 0.000 1.250 62 Q HN 0.574 8.844 8.270 -0.000 0.000 0.658 63 F N 2.013 121.746 119.950 -0.363 0.000 2.472 63 F HA 0.065 4.594 4.527 0.003 0.000 0.364 63 F C 0.196 175.863 175.800 -0.222 0.000 1.090 63 F CA -0.303 57.592 58.000 -0.176 0.000 1.188 63 F CB 0.218 39.114 39.000 -0.174 0.000 1.105 63 F HN 0.319 8.619 8.300 -0.000 0.000 0.536 64 E N 3.910 123.734 120.200 -0.627 0.000 2.397 64 E HA 0.494 4.846 4.350 0.003 0.000 0.254 64 E C -0.801 175.258 176.600 -0.903 0.000 1.231 64 E CA -0.172 55.866 56.400 -0.603 0.000 0.954 64 E CB 0.830 30.341 29.700 -0.315 0.000 1.024 64 E HN 0.675 9.035 8.360 -0.000 0.000 0.481 65 A N 0.524 123.046 122.820 -0.497 0.000 2.442 65 A HA 0.504 4.825 4.320 0.003 0.000 0.284 65 A C -0.714 176.754 177.584 -0.195 0.000 1.058 65 A CA -0.599 51.211 52.037 -0.378 0.000 0.738 65 A CB 0.818 19.640 19.000 -0.296 0.000 1.242 65 A HN 0.331 8.481 8.150 -0.000 0.000 0.421 66 V N -0.290 119.545 119.914 -0.132 0.000 3.188 66 V HA 1.027 5.148 4.120 0.003 0.000 0.305 66 V C 0.123 176.197 176.094 -0.033 0.000 1.232 66 V CA -0.168 62.089 62.300 -0.071 0.000 1.043 66 V CB 1.453 33.239 31.823 -0.062 0.000 1.068 66 V HN 1.596 9.786 8.190 -0.000 0.000 0.439 67 G N 0.760 109.544 108.800 -0.026 0.000 2.412 67 G HA2 0.797 4.759 3.960 0.003 0.000 0.318 67 G HA3 0.797 4.759 3.960 0.003 0.000 0.318 67 G C -0.837 174.047 174.900 -0.027 0.000 1.146 67 G CA -0.829 44.264 45.100 -0.013 0.000 0.882 67 G HN 0.966 9.256 8.290 -0.000 0.000 0.501 68 R N -0.374 120.111 120.500 -0.025 0.000 2.680 68 R HA 0.466 4.808 4.340 0.003 0.000 0.269 68 R C -1.591 174.614 176.300 -0.158 0.000 1.026 68 R CA -0.726 55.308 56.100 -0.110 0.000 0.889 68 R CB 2.640 32.876 30.300 -0.107 0.000 1.241 68 R HN 0.593 8.863 8.270 -0.000 0.000 0.463 69 E N 1.319 121.287 120.200 -0.387 0.000 2.293 69 E HA 0.527 4.879 4.350 0.003 0.000 0.270 69 E C -1.784 174.499 176.600 -0.528 0.000 0.879 69 E CA -0.435 55.800 56.400 -0.274 0.000 0.756 69 E CB 1.405 31.006 29.700 -0.165 0.000 1.208 69 E HN 0.322 8.682 8.360 -0.000 0.000 0.428 70 F N 2.527 122.487 119.950 0.016 0.000 2.574 70 F HA 0.322 4.850 4.527 0.002 0.000 0.313 70 F C 0.266 176.073 175.800 0.013 0.000 1.130 70 F CA -1.181 56.829 58.000 0.016 0.000 0.936 70 F CB 1.656 40.667 39.000 0.018 0.000 1.219 70 F HN 0.391 8.691 8.300 -0.000 0.000 0.445 71 N N 2.392 121.227 118.700 0.226 0.000 2.283 71 N HA -0.162 4.579 4.740 0.003 0.000 0.236 71 N C 0.921 176.503 175.510 0.120 0.000 1.252 71 N CA 0.657 53.789 53.050 0.137 0.000 0.856 71 N CB 0.456 39.017 38.487 0.124 0.000 1.099 71 N HN 0.850 9.230 8.380 -0.000 0.000 0.444 72 N N 2.390 121.134 118.700 0.073 0.000 2.331 72 N HA -0.117 4.624 4.740 0.003 0.000 0.180 72 N C 0.849 176.381 175.510 0.037 0.000 1.019 72 N CA 0.691 53.771 53.050 0.050 0.000 0.881 72 N CB 0.032 38.541 38.487 0.036 0.000 0.972 72 N HN 0.562 8.942 8.380 -0.000 0.000 0.435 73 L N 0.464 121.711 121.223 0.040 0.000 2.653 73 L HA 0.223 4.564 4.340 0.003 0.000 0.231 73 L C 0.673 177.559 176.870 0.027 0.000 1.153 73 L CA 0.094 54.950 54.840 0.027 0.000 0.933 73 L CB 0.314 42.388 42.059 0.025 0.000 1.175 73 L HN 0.050 8.280 8.230 -0.000 0.000 0.473 74 E N -0.645 119.580 120.200 0.041 0.000 2.569 74 E HA 0.042 4.393 4.350 0.003 0.000 0.205 74 E C 1.285 177.841 176.600 -0.074 0.000 1.006 74 E CA -0.270 56.142 56.400 0.021 0.000 0.985 74 E CB 0.547 30.326 29.700 0.132 0.000 1.060 74 E HN 0.123 8.483 8.360 -0.000 0.000 0.460 75 R N 2.053 122.522 120.500 -0.051 0.000 2.154 75 R HA -0.180 4.161 4.340 0.003 0.000 0.248 75 R C 2.225 178.446 176.300 -0.133 0.000 1.155 75 R CA 1.702 57.756 56.100 -0.077 0.000 0.979 75 R CB -0.149 30.130 30.300 -0.035 0.000 0.869 75 R HN 0.170 8.440 8.270 -0.000 0.000 0.452 76 R N 0.501 120.929 120.500 -0.118 0.000 2.246 76 R HA 0.033 4.375 4.340 0.003 0.000 0.199 76 R C 1.967 178.167 176.300 -0.167 0.000 0.984 76 R CA 1.263 57.293 56.100 -0.116 0.000 1.015 76 R CB -0.472 29.786 30.300 -0.070 0.000 0.930 76 R HN 0.510 8.780 8.270 -0.000 0.000 0.475 77 I N -0.985 119.439 120.570 -0.243 0.000 3.030 77 I HA 0.041 4.212 4.170 0.003 0.000 0.270 77 I C 1.865 177.566 176.117 -0.693 0.000 1.211 77 I CA 0.774 61.877 61.300 -0.330 0.000 1.479 77 I CB 0.007 37.882 38.000 -0.209 0.000 1.105 77 I HN 0.154 8.364 8.210 -0.000 0.000 0.447 78 E N 1.834 121.511 120.200 -0.873 0.000 2.038 78 E HA -0.324 4.027 4.350 0.003 0.000 0.195 78 E C 1.930 178.330 176.600 -0.334 0.000 1.000 78 E CA 2.086 57.995 56.400 -0.819 0.000 0.803 78 E CB -0.129 29.333 29.700 -0.397 0.000 0.750 78 E HN 0.597 8.957 8.360 -0.000 0.000 0.448 79 N N 0.304 118.873 118.700 -0.219 0.000 2.036 79 N HA -0.222 4.519 4.740 0.003 0.000 0.195 79 N C 1.992 177.448 175.510 -0.089 0.000 1.037 79 N CA 1.549 54.531 53.050 -0.113 0.000 0.855 79 N CB -0.272 38.160 38.487 -0.091 0.000 1.033 79 N HN 0.232 8.612 8.380 -0.000 0.000 0.423 80 L N 0.234 121.389 121.223 -0.113 0.000 2.012 80 L HA -0.209 4.133 4.340 0.003 0.000 0.210 80 L C 2.049 178.906 176.870 -0.021 0.000 1.073 80 L CA 1.733 56.534 54.840 -0.066 0.000 0.748 80 L CB -0.658 41.359 42.059 -0.071 0.000 0.891 80 L HN 0.315 8.545 8.230 -0.000 0.000 0.431 81 N N 0.019 118.700 118.700 -0.032 0.000 2.061 81 N HA -0.324 4.418 4.740 0.003 0.000 0.193 81 N C 1.868 177.435 175.510 0.095 0.000 1.030 81 N CA 2.139 55.238 53.050 0.081 0.000 0.856 81 N CB -0.108 38.476 38.487 0.162 0.000 1.023 81 N HN 0.237 8.617 8.380 -0.000 0.000 0.424 82 K N 0.567 120.994 120.400 0.046 0.000 2.001 82 K HA -0.018 4.304 4.320 0.003 0.000 0.208 82 K C 1.752 178.384 176.600 0.053 0.000 1.048 82 K CA 1.079 57.403 56.287 0.061 0.000 0.932 82 K CB 0.006 32.526 32.500 0.033 0.000 0.715 82 K HN -0.016 8.234 8.250 -0.000 0.000 0.437 83 K N 0.582 120.991 120.400 0.015 0.000 2.113 83 K HA -0.227 4.094 4.320 0.003 0.000 0.208 83 K C 2.100 178.700 176.600 -0.000 0.000 1.047 83 K CA 1.979 58.263 56.287 -0.004 0.000 0.928 83 K CB -0.403 32.077 32.500 -0.032 0.000 0.716 83 K HN 0.387 8.637 8.250 -0.000 0.000 0.446 84 M N 1.354 120.974 119.600 0.032 0.000 2.126 84 M HA -0.234 4.247 4.480 0.003 0.000 0.259 84 M C 1.807 178.221 176.300 0.191 0.000 1.073 84 M CA 1.964 57.304 55.300 0.066 0.000 1.103 84 M CB -0.246 32.435 32.600 0.136 0.000 1.284 84 M HN 0.040 8.330 8.290 -0.000 0.000 0.420 85 E N 0.431 120.802 120.200 0.285 0.000 2.070 85 E HA -0.238 4.114 4.350 0.003 0.000 0.197 85 E C 1.619 178.398 176.600 0.299 0.000 1.004 85 E CA 1.912 58.553 56.400 0.402 0.000 0.805 85 E CB -0.362 29.524 29.700 0.311 0.000 0.744 85 E HN 0.610 8.970 8.360 -0.000 0.000 0.451 86 D N -0.449 120.053 120.400 0.169 0.000 2.350 86 D HA -0.056 4.586 4.640 0.003 0.000 0.216 86 D C 1.753 178.087 176.300 0.056 0.000 0.968 86 D CA 0.986 55.052 54.000 0.110 0.000 0.894 86 D CB -0.340 40.501 40.800 0.068 0.000 0.909 86 D HN 0.288 8.658 8.370 -0.000 0.000 0.520 87 G N -0.645 108.153 108.800 -0.003 0.000 2.395 87 G HA2 -0.176 3.786 3.960 0.003 0.000 0.214 87 G HA3 -0.176 3.786 3.960 0.003 0.000 0.214 87 G C 1.378 176.197 174.900 -0.135 0.000 1.177 87 G CA -0.081 44.929 45.100 -0.150 0.000 0.794 87 G HN 0.234 8.524 8.290 -0.000 0.000 0.532 88 F N 0.361 120.359 119.950 0.081 0.000 2.206 88 F HA 0.188 4.717 4.527 0.002 0.000 0.298 88 F C 2.453 178.439 175.800 0.309 0.000 1.090 88 F CA 0.468 58.568 58.000 0.168 0.000 1.323 88 F CB 0.051 39.213 39.000 0.270 0.000 1.028 88 F HN 0.001 8.301 8.300 -0.000 0.000 0.492 89 L N -0.667 120.825 121.223 0.448 0.000 2.313 89 L HA -0.128 4.213 4.340 0.003 0.000 0.214 89 L C 1.653 178.667 176.870 0.240 0.000 1.119 89 L CA 0.526 55.581 54.840 0.358 0.000 0.809 89 L CB -0.440 41.780 42.059 0.268 0.000 0.933 89 L HN 0.012 8.242 8.230 -0.000 0.000 0.449 90 D N -0.377 120.116 120.400 0.154 0.000 2.178 90 D HA -0.125 4.516 4.640 0.003 0.000 0.202 90 D C 2.207 178.559 176.300 0.086 0.000 0.974 90 D CA 1.065 55.118 54.000 0.089 0.000 0.841 90 D CB 0.271 41.079 40.800 0.013 0.000 0.953 90 D HN 0.111 8.481 8.370 -0.000 0.000 0.478 91 V N -0.962 118.986 119.914 0.058 0.000 2.599 91 V HA -0.085 4.036 4.120 0.003 0.000 0.245 91 V C 1.787 177.871 176.094 -0.016 0.000 1.046 91 V CA 0.734 63.000 62.300 -0.057 0.000 1.065 91 V CB -0.297 31.392 31.823 -0.223 0.000 0.703 91 V HN 0.229 8.419 8.190 -0.000 0.000 0.464 92 W N 0.024 121.442 121.300 0.196 0.000 2.658 92 W HA -0.039 4.623 4.660 0.002 0.000 0.263 92 W C 2.522 179.123 176.519 0.137 0.000 1.274 92 W CA 1.045 58.493 57.345 0.172 0.000 1.343 92 W CB -0.383 29.178 29.460 0.167 0.000 1.106 92 W HN 0.053 8.233 8.180 -0.000 0.000 0.615 93 T N -0.214 114.542 114.554 0.337 0.000 2.737 93 T HA -0.300 4.051 4.350 0.003 0.000 0.265 93 T C 1.427 176.245 174.700 0.196 0.000 1.038 93 T CA 1.708 63.944 62.100 0.226 0.000 1.144 93 T CB -0.635 68.338 68.868 0.175 0.000 0.866 93 T HN 0.261 8.501 8.240 -0.000 0.000 0.434 94 Y N 2.112 122.452 120.300 0.067 0.000 2.128 94 Y HA -0.197 4.354 4.550 0.003 0.000 0.284 94 Y C 2.108 178.029 175.900 0.036 0.000 1.154 94 Y CA 1.788 59.905 58.100 0.029 0.000 1.149 94 Y CB -0.593 37.860 38.460 -0.011 0.000 0.976 94 Y HN 0.288 8.568 8.280 -0.000 0.000 0.505 95 N N 0.095 118.900 118.700 0.175 0.000 2.120 95 N HA -0.199 4.542 4.740 0.003 0.000 0.188 95 N C 2.012 177.548 175.510 0.044 0.000 1.024 95 N CA 0.859 53.952 53.050 0.070 0.000 0.852 95 N CB -0.330 38.237 38.487 0.133 0.000 1.003 95 N HN 0.502 8.883 8.380 -0.000 0.000 0.424 96 A N 1.616 124.513 122.820 0.128 0.000 1.835 96 A HA -0.202 4.120 4.320 0.003 0.000 0.215 96 A C 1.995 179.577 177.584 -0.003 0.000 1.199 96 A CA 1.460 53.549 52.037 0.086 0.000 0.615 96 A CB -0.723 18.349 19.000 0.119 0.000 0.838 96 A HN 0.239 8.389 8.150 -0.000 0.000 0.444 97 E N -0.741 119.444 120.200 -0.025 0.000 2.070 97 E HA -0.236 4.116 4.350 0.003 0.000 0.197 97 E C 2.014 178.535 176.600 -0.132 0.000 1.004 97 E CA 1.569 57.931 56.400 -0.063 0.000 0.805 97 E CB -0.266 29.405 29.700 -0.049 0.000 0.744 97 E HN 0.637 8.997 8.360 -0.000 0.000 0.451 98 L N 0.375 121.436 121.223 -0.269 0.000 2.131 98 L HA -0.080 4.261 4.340 0.003 0.000 0.206 98 L C 2.223 178.993 176.870 -0.168 0.000 1.087 98 L CA 0.602 55.257 54.840 -0.308 0.000 0.767 98 L CB -0.095 41.579 42.059 -0.641 0.000 0.917 98 L HN 0.148 8.378 8.230 -0.000 0.000 0.441 99 L N -0.492 120.658 121.223 -0.121 0.000 2.012 99 L HA -0.160 4.181 4.340 0.003 0.000 0.210 99 L C 2.375 179.221 176.870 -0.040 0.000 1.073 99 L CA 1.927 56.735 54.840 -0.054 0.000 0.748 99 L CB -0.896 41.159 42.059 -0.006 0.000 0.891 99 L HN 0.116 8.346 8.230 -0.000 0.000 0.431 100 V N -0.685 119.208 119.914 -0.034 0.000 2.255 100 V HA -0.284 3.837 4.120 0.003 0.000 0.247 100 V C 2.614 178.692 176.094 -0.028 0.000 1.051 100 V CA 1.719 64.006 62.300 -0.022 0.000 1.018 100 V CB -0.472 31.344 31.823 -0.012 0.000 0.641 100 V HN 0.425 8.615 8.190 -0.000 0.000 0.445 101 L N -1.246 119.952 121.223 -0.042 0.000 2.079 101 L HA -0.210 4.132 4.340 0.003 0.000 0.210 101 L C 2.235 179.085 176.870 -0.033 0.000 1.081 101 L CA 2.084 56.901 54.840 -0.038 0.000 0.752 101 L CB -0.725 41.302 42.059 -0.052 0.000 0.896 101 L HN 0.295 8.525 8.230 -0.000 0.000 0.433 102 M N -1.835 117.741 119.600 -0.040 0.000 2.134 102 M HA -0.143 4.338 4.480 0.003 0.000 0.262 102 M C 2.021 178.307 176.300 -0.023 0.000 1.076 102 M CA 1.172 56.454 55.300 -0.030 0.000 1.143 102 M CB -0.194 32.386 32.600 -0.034 0.000 1.346 102 M HN -0.006 8.284 8.290 -0.000 0.000 0.421 103 E N 0.653 120.838 120.200 -0.026 0.000 2.265 103 E HA -0.127 4.224 4.350 0.003 0.000 0.196 103 E C 1.483 178.071 176.600 -0.021 0.000 0.996 103 E CA 0.989 57.373 56.400 -0.027 0.000 0.832 103 E CB -0.283 29.401 29.700 -0.027 0.000 0.756 103 E HN 0.322 8.682 8.360 -0.000 0.000 0.491 104 N N 0.295 118.987 118.700 -0.014 0.000 2.142 104 N HA -0.162 4.579 4.740 0.003 0.000 0.186 104 N C 1.639 177.149 175.510 -0.000 0.000 1.023 104 N CA 1.286 54.333 53.050 -0.005 0.000 0.852 104 N CB -0.211 38.273 38.487 -0.006 0.000 0.998 104 N HN 0.338 8.718 8.380 -0.000 0.000 0.424 105 E N 0.684 120.882 120.200 -0.003 0.000 2.077 105 E HA -0.101 4.251 4.350 0.003 0.000 0.193 105 E C 1.880 178.488 176.600 0.014 0.000 0.989 105 E CA 0.865 57.268 56.400 0.005 0.000 0.800 105 E CB 0.138 29.840 29.700 0.003 0.000 0.746 105 E HN 0.255 8.615 8.360 -0.000 0.000 0.452 106 R N -0.256 120.247 120.500 0.005 0.000 2.081 106 R HA -0.077 4.264 4.340 0.003 0.000 0.235 106 R C 2.494 178.799 176.300 0.009 0.000 1.131 106 R CA 1.817 57.921 56.100 0.007 0.000 0.960 106 R CB -0.480 29.808 30.300 -0.020 0.000 0.856 106 R HN 0.210 8.480 8.270 -0.000 0.000 0.436 107 T N 1.821 116.368 114.554 -0.012 0.000 2.720 107 T HA -0.121 4.230 4.350 0.003 0.000 0.268 107 T C 1.886 176.619 174.700 0.056 0.000 1.037 107 T CA 1.054 63.150 62.100 -0.006 0.000 1.144 107 T CB -0.132 68.734 68.868 -0.002 0.000 0.864 107 T HN 0.139 8.379 8.240 -0.000 0.000 0.444 108 L N 0.786 122.047 121.223 0.063 0.000 2.056 108 L HA -0.074 4.268 4.340 0.003 0.000 0.207 108 L C 2.080 178.984 176.870 0.055 0.000 1.078 108 L CA 1.205 56.090 54.840 0.076 0.000 0.749 108 L CB -0.435 41.640 42.059 0.027 0.000 0.901 108 L HN 0.195 8.425 8.230 -0.000 0.000 0.433 109 D N -0.829 119.601 120.400 0.050 0.000 2.363 109 D HA -0.113 4.529 4.640 0.003 0.000 0.226 109 D C 1.630 177.932 176.300 0.002 0.000 1.020 109 D CA 0.512 54.545 54.000 0.054 0.000 0.892 109 D CB 0.248 41.108 40.800 0.100 0.000 0.900 109 D HN 0.220 8.590 8.370 -0.000 0.000 0.531 110 F N 1.345 121.181 119.950 -0.189 0.000 2.179 110 F HA -0.073 4.455 4.527 0.003 0.000 0.292 110 F C 2.223 177.826 175.800 -0.329 0.000 1.089 110 F CA 1.199 59.017 58.000 -0.305 0.000 1.295 110 F CB -0.232 38.570 39.000 -0.329 0.000 1.041 110 F HN -0.022 8.278 8.300 -0.000 0.000 0.487 111 H N -0.463 118.433 119.070 -0.290 0.000 2.422 111 H HA -0.171 4.386 4.556 0.003 0.000 0.298 111 H C 1.419 176.526 175.328 -0.370 0.000 1.098 111 H CA 1.833 57.665 56.048 -0.359 0.000 1.315 111 H CB -0.628 28.998 29.762 -0.227 0.000 1.382 111 H HN 0.357 8.637 8.280 -0.000 0.000 0.523 112 D N -0.220 120.071 120.400 -0.182 0.000 2.348 112 D HA -0.055 4.586 4.640 0.003 0.000 0.216 112 D C 1.604 177.739 176.300 -0.275 0.000 0.970 112 D CA 0.750 54.646 54.000 -0.173 0.000 0.889 112 D CB 0.375 41.151 40.800 -0.040 0.000 0.912 112 D HN 0.210 8.580 8.370 -0.000 0.000 0.524 113 S N -0.698 114.652 115.700 -0.585 0.000 2.517 113 S HA -0.001 4.470 4.470 0.003 0.000 0.228 113 S C 1.636 175.916 174.600 -0.533 0.000 1.060 113 S CA -0.168 57.595 58.200 -0.728 0.000 0.937 113 S CB -0.311 62.100 63.200 -1.316 0.000 0.840 113 S HN 0.148 8.458 8.310 -0.000 0.000 0.546 114 N N 2.028 120.301 118.700 -0.712 0.000 2.139 114 N HA -0.146 4.595 4.740 0.003 0.000 0.199 114 N C 1.533 176.620 175.510 -0.706 0.000 1.003 114 N CA 1.452 54.026 53.050 -0.795 0.000 0.892 114 N CB -0.884 36.929 38.487 -1.124 0.000 1.039 114 N HN 0.232 8.612 8.380 -0.000 0.000 0.461 115 V N 0.536 120.089 119.914 -0.602 0.000 2.488 115 V HA -0.076 4.046 4.120 0.003 0.000 0.246 115 V C 2.390 178.412 176.094 -0.121 0.000 1.046 115 V CA 1.078 63.157 62.300 -0.367 0.000 1.053 115 V CB -0.277 31.374 31.823 -0.287 0.000 0.679 115 V HN 0.255 8.445 8.190 -0.000 0.000 0.458 116 K N 0.692 121.053 120.400 -0.065 0.000 2.001 116 K HA -0.137 4.185 4.320 0.003 0.000 0.208 116 K C 1.920 178.632 176.600 0.186 0.000 1.048 116 K CA 1.474 57.855 56.287 0.156 0.000 0.932 116 K CB -0.508 32.134 32.500 0.236 0.000 0.715 116 K HN 0.410 8.660 8.250 -0.000 0.000 0.437 117 N N 1.199 119.932 118.700 0.055 0.000 2.381 117 N HA -0.153 4.588 4.740 0.003 0.000 0.182 117 N C 1.892 177.433 175.510 0.051 0.000 1.025 117 N CA 0.556 53.640 53.050 0.055 0.000 0.888 117 N CB -0.074 38.400 38.487 -0.022 0.000 0.965 117 N HN 0.117 8.497 8.380 -0.000 0.000 0.438 118 L N -0.201 121.027 121.223 0.008 0.000 2.044 118 L HA -0.125 4.217 4.340 0.003 0.000 0.205 118 L C 2.274 179.222 176.870 0.129 0.000 1.075 118 L CA 1.090 55.944 54.840 0.023 0.000 0.747 118 L CB -0.492 41.516 42.059 -0.086 0.000 0.903 118 L HN 0.067 8.297 8.230 -0.000 0.000 0.435 119 Y N 0.222 120.572 120.300 0.083 0.000 2.193 119 Y HA -0.332 4.219 4.550 0.002 0.000 0.285 119 Y C 2.164 178.190 175.900 0.211 0.000 1.166 119 Y CA 2.080 60.304 58.100 0.206 0.000 1.181 119 Y CB -0.167 38.441 38.460 0.247 0.000 0.976 119 Y HN 0.296 8.576 8.280 -0.000 0.000 0.520 120 D N -0.249 120.296 120.400 0.241 0.000 2.234 120 D HA -0.117 4.525 4.640 0.003 0.000 0.205 120 D C 2.001 178.321 176.300 0.033 0.000 0.962 120 D CA 1.011 55.092 54.000 0.134 0.000 0.855 120 D CB -0.034 40.869 40.800 0.171 0.000 0.951 120 D HN 0.429 8.799 8.370 -0.000 0.000 0.500 121 K N 0.859 121.281 120.400 0.037 0.000 2.007 121 K HA -0.086 4.235 4.320 0.003 0.000 0.206 121 K C 2.002 178.571 176.600 -0.052 0.000 1.047 121 K CA 0.862 57.160 56.287 0.018 0.000 0.937 121 K CB -0.230 32.303 32.500 0.056 0.000 0.718 121 K HN -0.190 8.060 8.250 -0.000 0.000 0.438 122 V N 1.841 121.701 119.914 -0.090 0.000 2.250 122 V HA -0.340 3.782 4.120 0.003 0.000 0.250 122 V C 2.662 178.451 176.094 -0.509 0.000 1.060 122 V CA 2.440 64.565 62.300 -0.291 0.000 1.030 122 V CB -0.673 30.931 31.823 -0.365 0.000 0.643 122 V HN 0.467 8.657 8.190 -0.000 0.000 0.445 123 R N -0.270 119.965 120.500 -0.442 0.000 2.103 123 R HA -0.177 4.165 4.340 0.003 0.000 0.234 123 R C 2.348 178.561 176.300 -0.144 0.000 1.132 123 R CA 2.092 58.036 56.100 -0.261 0.000 0.925 123 R CB -0.463 29.824 30.300 -0.023 0.000 0.842 123 R HN 0.436 8.706 8.270 -0.000 0.000 0.430 124 L N 0.525 121.707 121.223 -0.069 0.000 2.129 124 L HA -0.256 4.086 4.340 0.003 0.000 0.212 124 L C 2.608 179.468 176.870 -0.017 0.000 1.087 124 L CA 1.610 56.436 54.840 -0.023 0.000 0.757 124 L CB -0.528 41.534 42.059 0.004 0.000 0.896 124 L HN 0.480 8.710 8.230 -0.000 0.000 0.434 125 Q N 0.002 119.778 119.800 -0.040 0.000 1.916 125 Q HA -0.061 4.280 4.340 0.003 0.000 0.203 125 Q C 0.668 176.692 176.000 0.039 0.000 0.983 125 Q CA 0.651 56.474 55.803 0.033 0.000 0.846 125 Q CB -0.232 28.516 28.738 0.016 0.000 0.909 125 Q HN 0.378 8.648 8.270 -0.000 0.000 0.427 126 L N 2.521 123.591 121.223 -0.255 0.000 2.615 126 L HA -0.013 4.329 4.340 0.003 0.000 0.271 126 L C 0.796 177.677 176.870 0.018 0.000 1.183 126 L CA 0.117 54.828 54.840 -0.214 0.000 0.933 126 L CB -0.151 41.642 42.059 -0.445 0.000 1.199 126 L HN 0.257 8.487 8.230 -0.000 0.000 0.487 127 R N 2.213 122.858 120.500 0.240 0.000 2.449 127 R HA 0.154 4.496 4.340 0.003 0.000 0.130 127 R C 0.468 176.938 176.300 0.284 0.000 1.404 127 R CA -0.611 55.592 56.100 0.172 0.000 1.271 127 R CB -0.141 30.177 30.300 0.030 0.000 1.431 127 R HN 0.656 8.926 8.270 -0.000 0.000 0.477 128 D N 1.064 121.659 120.400 0.324 0.000 2.423 128 D HA -0.086 4.555 4.640 0.003 0.000 0.263 128 D C 0.310 176.944 176.300 0.556 0.000 1.255 128 D CA 0.353 54.598 54.000 0.410 0.000 0.965 128 D CB -0.601 40.391 40.800 0.319 0.000 0.933 128 D HN 0.172 8.542 8.370 -0.000 0.000 0.507 129 N N -0.056 118.981 118.700 0.562 0.000 2.412 129 N HA 0.189 4.930 4.740 0.003 0.000 0.184 129 N C 0.076 175.881 175.510 0.492 0.000 1.101 129 N CA 0.333 53.713 53.050 0.550 0.000 0.881 129 N CB 0.645 39.440 38.487 0.512 0.000 0.969 129 N HN 0.406 8.786 8.380 -0.000 0.000 0.459 130 A N -0.265 122.656 122.820 0.167 0.000 2.572 130 A HA 0.487 4.808 4.320 0.003 0.000 0.295 130 A C -0.945 176.437 177.584 -0.336 0.000 1.072 130 A CA -0.753 51.118 52.037 -0.277 0.000 0.691 130 A CB 1.685 20.438 19.000 -0.411 0.000 1.291 130 A HN -0.007 8.143 8.150 -0.000 0.000 0.404 131 K N 1.552 121.645 120.400 -0.512 0.000 2.263 131 K HA 0.275 4.596 4.320 0.003 0.000 0.272 131 K C -0.462 176.040 176.600 -0.165 0.000 1.033 131 K CA -0.183 55.919 56.287 -0.309 0.000 0.884 131 K CB 0.756 33.039 32.500 -0.362 0.000 1.107 131 K HN 0.786 9.036 8.250 -0.000 0.000 0.460 132 E N 4.503 124.641 120.200 -0.102 0.000 2.299 132 E HA -0.016 4.335 4.350 0.003 0.000 0.272 132 E C 0.207 176.693 176.600 -0.190 0.000 1.043 132 E CA -0.208 56.051 56.400 -0.234 0.000 0.895 132 E CB 0.686 30.282 29.700 -0.174 0.000 1.011 132 E HN 0.522 8.882 8.360 -0.000 0.000 0.432 133 L N 3.662 124.750 121.223 -0.225 0.000 2.470 133 L HA 0.272 4.613 4.340 0.003 0.000 0.219 133 L C 1.469 178.272 176.870 -0.112 0.000 1.071 133 L CA 1.530 56.291 54.840 -0.130 0.000 0.850 133 L CB 0.228 42.224 42.059 -0.106 0.000 1.040 133 L HN 0.934 9.164 8.230 -0.000 0.000 0.475 134 G N -0.090 108.617 108.800 -0.155 0.000 2.213 134 G HA2 -0.291 3.670 3.960 0.003 0.000 0.226 134 G HA3 -0.291 3.670 3.960 0.003 0.000 0.226 134 G C 0.534 175.378 174.900 -0.094 0.000 0.992 134 G CA 0.368 45.378 45.100 -0.150 0.000 0.632 134 G HN 0.467 8.757 8.290 -0.000 0.000 0.511 135 N N 0.615 119.297 118.700 -0.029 0.000 2.376 135 N HA 0.478 5.220 4.740 0.003 0.000 0.249 135 N C 1.344 176.930 175.510 0.126 0.000 1.140 135 N CA 0.369 53.452 53.050 0.054 0.000 0.870 135 N CB 0.210 38.725 38.487 0.048 0.000 1.124 135 N HN 1.621 10.001 8.380 -0.000 0.000 0.505 136 G N -1.523 107.351 108.800 0.125 0.000 2.159 136 G HA2 -0.210 3.752 3.960 0.003 0.000 0.227 136 G HA3 -0.210 3.752 3.960 0.003 0.000 0.227 136 G C -0.387 174.679 174.900 0.277 0.000 0.986 136 G CA -0.073 45.169 45.100 0.238 0.000 0.651 136 G HN 0.626 8.916 8.290 -0.000 0.000 0.523 137 C N 0.084 119.413 119.300 0.049 0.000 2.783 137 C HA 0.815 5.277 4.460 0.003 0.000 0.312 137 C C -0.829 174.001 174.990 -0.266 0.000 1.182 137 C CA -1.159 57.870 59.018 0.019 0.000 1.432 137 C CB 0.608 28.408 27.740 0.101 0.000 1.933 137 C HN 0.321 8.551 8.230 -0.000 0.000 0.473 138 F N 3.046 122.957 119.950 -0.064 0.000 2.480 138 F HA 0.584 5.112 4.527 0.002 0.000 0.329 138 F C 0.283 175.885 175.800 -0.331 0.000 1.091 138 F CA -0.402 57.449 58.000 -0.247 0.000 0.972 138 F CB 1.307 40.062 39.000 -0.408 0.000 1.150 138 F HN 0.635 8.935 8.300 -0.000 0.000 0.467 139 E N 1.863 121.944 120.200 -0.198 0.000 2.238 139 E HA 0.559 4.911 4.350 0.003 0.000 0.267 139 E C -1.710 174.657 176.600 -0.389 0.000 0.887 139 E CA -0.697 55.549 56.400 -0.257 0.000 0.769 139 E CB 1.665 31.291 29.700 -0.124 0.000 1.187 139 E HN 0.416 8.776 8.360 -0.000 0.000 0.416 140 F N 1.728 121.549 119.950 -0.215 0.000 2.371 140 F HA 0.231 4.760 4.527 0.002 0.000 0.329 140 F C 0.712 176.372 175.800 -0.234 0.000 1.107 140 F CA -0.421 57.398 58.000 -0.301 0.000 1.137 140 F CB 0.736 39.474 39.000 -0.438 0.000 1.214 140 F HN 0.611 8.911 8.300 -0.000 0.000 0.536 141 Y N -0.708 119.724 120.300 0.221 0.000 2.397 141 Y HA -0.067 4.484 4.550 0.003 0.000 0.292 141 Y C 1.111 177.102 175.900 0.152 0.000 1.115 141 Y CA -0.021 58.178 58.100 0.165 0.000 1.208 141 Y CB 0.063 38.634 38.460 0.186 0.000 1.046 141 Y HN 0.421 8.701 8.280 -0.000 0.000 0.552 142 H N 0.859 120.076 119.070 0.245 0.000 2.463 142 H HA 0.299 4.857 4.556 0.003 0.000 0.332 142 H C -0.772 174.534 175.328 -0.037 0.000 1.127 142 H CA -1.137 54.960 56.048 0.081 0.000 1.238 142 H CB 0.980 30.767 29.762 0.042 0.000 1.478 142 H HN 0.099 8.379 8.280 -0.000 0.000 0.499 143 K N 1.772 122.132 120.400 -0.067 0.000 2.382 143 K HA 0.321 4.643 4.320 0.003 0.000 0.275 143 K C -0.568 175.870 176.600 -0.270 0.000 1.009 143 K CA -0.533 55.658 56.287 -0.160 0.000 0.970 143 K CB 0.581 33.050 32.500 -0.052 0.000 0.934 143 K HN 0.565 8.815 8.250 -0.000 0.000 0.479 144 c N 4.247 122.614 118.600 -0.388 0.000 2.660 144 c HA 0.208 4.779 4.570 0.003 0.000 0.336 144 c C -0.599 173.329 174.090 -0.271 0.000 1.058 144 c CA -0.794 55.247 56.329 -0.480 0.000 1.368 144 c CB -0.275 41.548 42.510 -1.144 0.000 1.884 144 c HN 1.055 9.285 8.230 -0.000 0.000 0.454 145 D N 3.296 123.604 120.400 -0.154 0.000 2.414 145 D HA 0.079 4.720 4.640 0.003 0.000 0.251 145 D C 0.962 177.199 176.300 -0.104 0.000 1.252 145 D CA -0.200 53.730 54.000 -0.116 0.000 0.999 145 D CB 0.378 41.141 40.800 -0.062 0.000 1.093 145 D HN 0.692 9.062 8.370 -0.000 0.000 0.515 146 N N -0.696 117.951 118.700 -0.090 0.000 2.192 146 N HA -0.259 4.483 4.740 0.003 0.000 0.188 146 N C 1.450 176.958 175.510 -0.003 0.000 1.013 146 N CA 1.460 54.486 53.050 -0.039 0.000 0.863 146 N CB -0.096 38.383 38.487 -0.012 0.000 0.990 146 N HN 0.670 9.050 8.380 -0.000 0.000 0.430 147 E N 0.673 120.869 120.200 -0.007 0.000 2.274 147 E HA -0.111 4.240 4.350 0.003 0.000 0.194 147 E C 1.920 178.532 176.600 0.019 0.000 0.996 147 E CA 0.679 57.084 56.400 0.009 0.000 0.840 147 E CB -0.259 29.447 29.700 0.009 0.000 0.772 147 E HN 0.384 8.744 8.360 -0.000 0.000 0.491 148 c N 0.164 118.769 118.600 0.008 0.000 2.485 148 c HA 0.156 4.727 4.570 0.003 0.000 0.277 148 c C 2.209 176.309 174.090 0.015 0.000 1.376 148 c CA 0.116 56.455 56.329 0.016 0.000 1.759 148 c CB -0.723 41.752 42.510 -0.059 0.000 1.970 148 c HN 0.482 8.712 8.230 -0.000 0.000 0.509 149 M N 0.758 120.358 119.600 0.000 0.000 2.067 149 M HA -0.065 4.417 4.480 0.003 0.000 0.260 149 M C 2.193 178.489 176.300 -0.007 0.000 1.069 149 M CA 1.564 56.882 55.300 0.030 0.000 1.117 149 M CB -1.661 31.005 32.600 0.110 0.000 1.334 149 M HN 0.407 8.697 8.290 -0.000 0.000 0.407 150 E N 0.842 121.043 120.200 0.001 0.000 2.086 150 E HA -0.197 4.155 4.350 0.003 0.000 0.200 150 E C 2.102 178.695 176.600 -0.012 0.000 1.012 150 E CA 2.069 58.458 56.400 -0.019 0.000 0.812 150 E CB -0.385 29.317 29.700 0.005 0.000 0.743 150 E HN 0.579 8.939 8.360 -0.000 0.000 0.453 151 S N 0.072 115.791 115.700 0.032 0.000 2.383 151 S HA -0.144 4.328 4.470 0.003 0.000 0.229 151 S C 2.215 176.872 174.600 0.094 0.000 1.030 151 S CA 1.709 59.953 58.200 0.072 0.000 1.002 151 S CB -0.465 62.801 63.200 0.109 0.000 0.829 151 S HN 0.087 8.397 8.310 -0.000 0.000 0.467 152 V N 1.504 121.464 119.914 0.077 0.000 2.379 152 V HA -0.028 4.094 4.120 0.003 0.000 0.245 152 V C 2.953 178.979 176.094 -0.113 0.000 1.044 152 V CA 2.030 64.341 62.300 0.018 0.000 1.036 152 V CB -0.828 30.987 31.823 -0.015 0.000 0.664 152 V HN 0.410 8.600 8.190 -0.000 0.000 0.453 153 R N 1.324 121.675 120.500 -0.249 0.000 2.066 153 R HA -0.101 4.241 4.340 0.003 0.000 0.232 153 R C 2.014 178.224 176.300 -0.150 0.000 1.131 153 R CA 1.722 57.527 56.100 -0.491 0.000 0.955 153 R CB -0.358 29.638 30.300 -0.507 0.000 0.851 153 R HN 0.787 9.057 8.270 -0.000 0.000 0.432 154 N N -0.446 118.224 118.700 -0.049 0.000 2.383 154 N HA -0.008 4.734 4.740 0.003 0.000 0.192 154 N C 0.225 175.763 175.510 0.047 0.000 1.141 154 N CA 0.847 53.910 53.050 0.022 0.000 0.851 154 N CB 0.812 39.315 38.487 0.026 0.000 0.976 154 N HN 0.270 8.650 8.380 -0.000 0.000 0.465 155 G N 0.986 109.815 108.800 0.049 0.000 2.225 155 G HA2 -0.251 3.711 3.960 0.003 0.000 0.264 155 G HA3 -0.251 3.711 3.960 0.003 0.000 0.264 155 G C 0.130 175.084 174.900 0.090 0.000 1.060 155 G CA 0.628 45.772 45.100 0.075 0.000 0.833 155 G HN 0.660 8.950 8.290 -0.000 0.000 0.498 156 T N -3.091 111.526 114.554 0.105 0.000 3.866 156 T HA 0.463 4.814 4.350 0.003 0.000 0.241 156 T C -0.029 174.758 174.700 0.146 0.000 1.017 156 T CA -0.342 61.822 62.100 0.107 0.000 1.300 156 T CB 0.140 69.047 68.868 0.066 0.000 0.968 156 T HN 0.912 9.152 8.240 -0.000 0.000 0.595 157 Y N 1.702 122.041 120.300 0.064 0.000 2.330 157 Y HA 0.469 5.020 4.550 0.002 0.000 0.341 157 Y C -0.144 175.833 175.900 0.129 0.000 1.278 157 Y CA -0.002 58.159 58.100 0.102 0.000 1.453 157 Y CB 0.906 39.425 38.460 0.097 0.000 1.342 157 Y HN 0.327 8.607 8.280 -0.000 0.000 0.590 158 D N 3.464 123.560 120.400 -0.508 0.000 2.378 158 D HA 0.054 4.695 4.640 0.003 0.000 0.265 158 D C 0.140 176.230 176.300 -0.350 0.000 1.229 158 D CA -0.377 53.453 54.000 -0.283 0.000 0.914 158 D CB -0.301 40.362 40.800 -0.227 0.000 1.140 158 D HN 0.635 9.005 8.370 -0.000 0.000 0.516 159 Y N 4.483 124.698 120.300 -0.140 0.000 1.997 159 Y HA -0.212 4.339 4.550 0.003 0.000 0.265 159 Y C -0.808 175.073 175.900 -0.031 0.000 1.193 159 Y CA 2.457 60.597 58.100 0.067 0.000 1.106 159 Y CB -0.755 37.811 38.460 0.177 0.000 0.940 159 Y HN 0.364 8.644 8.280 -0.000 0.000 0.494 160 P HA -0.209 4.211 4.420 -0.000 0.000 0.223 160 P C 1.059 178.223 177.300 -0.226 0.000 1.144 160 P CA 1.907 64.983 63.100 -0.040 0.000 0.783 160 P CB -0.211 31.498 31.700 0.016 0.000 0.771 161 Q N -0.625 118.952 119.800 -0.371 0.000 2.119 161 Q HA -0.144 4.198 4.340 0.003 0.000 0.201 161 Q C 0.947 176.506 176.000 -0.735 0.000 0.972 161 Q CA 1.331 56.771 55.803 -0.604 0.000 0.847 161 Q CB -0.217 27.991 28.738 -0.883 0.000 0.903 161 Q HN 0.299 8.569 8.270 -0.000 0.000 0.433 162 Y N -0.552 119.459 120.300 -0.481 0.000 2.555 162 Y HA 0.195 4.746 4.550 0.003 0.000 0.259 162 Y C 2.107 177.748 175.900 -0.431 0.000 1.179 162 Y CA 0.133 57.907 58.100 -0.544 0.000 1.230 162 Y CB 0.159 37.939 38.460 -1.133 0.000 1.146 162 Y HN 0.172 8.452 8.280 -0.000 0.000 0.526 163 S N 0.636 116.162 115.700 -0.290 0.000 2.354 163 S HA -0.272 4.200 4.470 0.003 0.000 0.219 163 S C 1.619 176.164 174.600 -0.092 0.000 1.035 163 S CA 1.901 59.945 58.200 -0.259 0.000 1.037 163 S CB -0.432 62.662 63.200 -0.177 0.000 0.956 163 S HN 0.472 8.782 8.310 -0.000 0.000 0.428 164 E N 1.640 121.799 120.200 -0.069 0.000 2.204 164 E HA 0.005 4.357 4.350 0.003 0.000 0.194 164 E C 1.872 178.466 176.600 -0.009 0.000 0.989 164 E CA 1.174 57.556 56.400 -0.029 0.000 0.824 164 E CB -0.568 29.114 29.700 -0.030 0.000 0.756 164 E HN 0.837 9.197 8.360 -0.000 0.000 0.477 165 E N 0.878 121.075 120.200 -0.006 0.000 2.017 165 E HA -0.212 4.140 4.350 0.003 0.000 0.193 165 E C 2.015 178.670 176.600 0.091 0.000 0.997 165 E CA 1.460 57.890 56.400 0.050 0.000 0.804 165 E CB -0.230 29.523 29.700 0.088 0.000 0.757 165 E HN 0.288 8.648 8.360 -0.000 0.000 0.448 166 A N 1.248 124.137 122.820 0.116 0.000 1.858 166 A HA -0.234 4.087 4.320 0.003 0.000 0.216 166 A C 2.120 179.738 177.584 0.058 0.000 1.190 166 A CA 2.245 54.397 52.037 0.192 0.000 0.617 166 A CB -0.683 18.471 19.000 0.256 0.000 0.827 166 A HN 0.339 8.489 8.150 -0.000 0.000 0.443 167 R N -0.539 119.974 120.500 0.022 0.000 2.307 167 R HA 0.212 4.553 4.340 0.003 0.000 0.199 167 R C 1.239 177.522 176.300 -0.029 0.000 1.000 167 R CA 0.786 56.874 56.100 -0.021 0.000 1.023 167 R CB -0.987 29.320 30.300 0.012 0.000 0.908 167 R HN 0.338 8.608 8.270 -0.000 0.000 0.473 168 L N 0.592 121.810 121.223 -0.009 0.000 2.056 168 L HA 0.000 4.342 4.340 0.003 0.000 0.207 168 L C 2.239 179.095 176.870 -0.023 0.000 1.078 168 L CA 1.720 56.555 54.840 -0.009 0.000 0.749 168 L CB -0.514 41.550 42.059 0.007 0.000 0.901 168 L HN 0.125 8.355 8.230 -0.000 0.000 0.433 169 K N -0.145 120.240 120.400 -0.024 0.000 1.984 169 K HA -0.100 4.222 4.320 0.003 0.000 0.209 169 K C 2.282 178.794 176.600 -0.147 0.000 1.046 169 K CA 1.261 57.525 56.287 -0.038 0.000 0.934 169 K CB -0.186 32.338 32.500 0.041 0.000 0.717 169 K HN 0.166 8.416 8.250 -0.000 0.000 0.438 170 R N 0.783 121.085 120.500 -0.330 0.000 2.134 170 R HA -0.190 4.152 4.340 0.003 0.000 0.248 170 R C 2.286 178.485 176.300 -0.169 0.000 1.143 170 R CA 1.934 57.798 56.100 -0.394 0.000 0.957 170 R CB -0.286 29.765 30.300 -0.414 0.000 0.867 170 R HN 0.411 8.681 8.270 -0.000 0.000 0.441 171 E N 0.534 120.670 120.200 -0.106 0.000 2.160 171 E HA -0.235 4.117 4.350 0.003 0.000 0.195 171 E C 1.556 178.133 176.600 -0.039 0.000 0.991 171 E CA 1.780 58.147 56.400 -0.054 0.000 0.810 171 E CB 0.212 29.892 29.700 -0.034 0.000 0.742 171 E HN 0.533 8.893 8.360 -0.000 0.000 0.466 172 E N 0.261 120.437 120.200 -0.040 0.000 2.251 172 E HA -0.051 4.301 4.350 0.003 0.000 0.194 172 E C 2.030 178.623 176.600 -0.013 0.000 0.964 172 E CA 0.579 56.968 56.400 -0.019 0.000 0.868 172 E CB -0.760 28.935 29.700 -0.008 0.000 0.828 172 E HN 0.434 8.794 8.360 -0.000 0.000 0.481 173 I N -0.994 119.563 120.570 -0.021 0.000 3.550 173 I HA 0.206 4.377 4.170 0.003 0.000 0.295 173 I C 0.801 176.914 176.117 -0.006 0.000 1.291 173 I CA 0.277 61.576 61.300 -0.002 0.000 1.298 173 I CB 0.155 38.166 38.000 0.019 0.000 1.026 173 I HN -0.106 8.104 8.210 -0.000 0.000 0.491 174 S N 1.160 116.849 115.700 -0.018 0.000 2.556 174 S HA 0.284 4.756 4.470 0.003 0.000 0.216 174 S C 1.625 176.223 174.600 -0.004 0.000 0.970 174 S CA 0.385 58.579 58.200 -0.010 0.000 0.912 174 S CB 0.204 63.392 63.200 -0.019 0.000 0.790 174 S HN 0.809 9.119 8.310 -0.000 0.000 0.504 175 G N 1.999 110.797 108.800 -0.002 0.000 2.337 175 G HA2 -0.325 3.636 3.960 0.003 0.000 0.290 175 G HA3 -0.325 3.636 3.960 0.003 0.000 0.290 175 G C 0.961 175.861 174.900 -0.000 0.000 1.003 175 G CA 0.704 45.805 45.100 0.001 0.000 0.825 175 G HN 0.898 9.188 8.290 -0.000 0.000 0.509 176 V N -2.100 117.812 119.914 -0.003 0.000 2.719 176 V HA 0.135 4.256 4.120 0.003 0.000 0.252 176 V C 2.363 178.456 176.094 -0.001 0.000 1.065 176 V CA 2.267 64.565 62.300 -0.002 0.000 1.086 176 V CB -0.369 31.452 31.823 -0.004 0.000 0.700 176 V HN 0.475 8.665 8.190 -0.000 0.000 0.467 177 R N 0.824 121.322 120.500 -0.002 0.000 2.148 177 R HA -0.025 4.316 4.340 0.003 0.000 0.227 177 R C 1.974 178.274 176.300 0.001 0.000 1.103 177 R CA 1.225 57.325 56.100 -0.001 0.000 0.983 177 R CB -0.372 29.927 30.300 -0.001 0.000 0.874 177 R HN 0.585 8.855 8.270 -0.000 0.000 0.451 178 S N 0.822 116.523 115.700 0.002 0.000 2.693 178 S HA -0.025 4.447 4.470 0.003 0.000 0.243 178 S C 0.638 175.239 174.600 0.003 0.000 0.973 178 S CA 0.526 58.728 58.200 0.003 0.000 0.969 178 S CB -0.150 63.052 63.200 0.004 0.000 0.771 178 S HN 0.324 8.634 8.310 -0.000 0.000 0.542 179 L N 0.885 122.109 121.223 0.002 0.000 3.141 179 L HA 0.382 4.724 4.340 0.003 0.000 0.267 179 L C -0.486 176.385 176.870 0.002 0.000 1.281 179 L CA -0.380 54.462 54.840 0.002 0.000 1.037 179 L CB -0.002 42.058 42.059 0.002 0.000 1.407 179 L HN 0.059 8.289 8.230 -0.000 0.000 0.566 180 V N 0.000 119.915 119.914 0.002 0.000 2.409 180 V HA 0.000 4.122 4.120 0.003 0.000 0.244 180 V CA 0.000 62.301 62.300 0.002 0.000 1.235 180 V CB 0.000 31.824 31.823 0.001 0.000 1.184 180 V HN 0.000 8.190 8.190 -0.000 0.000 0.556