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 1ybj_10_A DATA FIRST_RESID 1 DATA SEQUENCE AFSVNYDSSF GGYSIHDYLG QWASTFGDVN HTNGNVTDAN SGGFYGGSLS DATA SEQUENCE GSQYAISSTA NQVTAFVAGG NLTYTLFNEP AHTLYGQLDS LSFGDGLSGG DATA SEQUENCE DTSPYSIQVP DVSFGGLNLS SLQAQGHDGV VHQVVYGLMS GDTGALETAL DATA SEQUENCE NGILDDYGLS VNSTFDQVAA ATAVGVQH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 4.422 4.320 0.170 0.000 0.244 1 A C 0.000 177.710 177.584 0.211 0.000 1.274 1 A CA 0.000 52.131 52.037 0.157 0.000 0.836 1 A CB 0.000 19.056 19.000 0.093 0.000 0.831 2 F N 4.513 124.523 119.950 0.100 0.000 2.379 2 F HA 0.920 5.681 4.527 0.090 -0.180 0.332 2 F C -1.907 173.940 175.800 0.079 0.000 1.096 2 F CA -1.974 56.089 58.000 0.105 0.000 1.105 2 F CB 2.675 41.764 39.000 0.148 0.000 1.189 2 F HN 0.042 8.573 8.300 0.385 0.000 0.515 3 S N 1.847 117.060 115.700 -0.812 0.000 2.587 3 S HA 0.357 4.325 4.470 -0.836 0.000 0.269 3 S C -2.201 171.888 174.600 -0.852 0.000 1.154 3 S CA -1.159 56.562 58.200 -0.798 0.000 0.824 3 S CB 3.913 66.900 63.200 -0.354 0.000 1.118 3 S HN 0.455 8.395 8.310 -0.617 0.000 0.462 4 V N 2.381 121.948 119.914 -0.578 0.000 2.461 4 V HA 0.052 3.802 4.120 -0.618 0.000 0.275 4 V C -1.048 174.777 176.094 -0.449 0.000 1.047 4 V CA -1.164 60.836 62.300 -0.500 0.000 0.955 4 V CB 0.776 32.394 31.823 -0.342 0.000 0.988 4 V HN 0.567 8.485 8.190 -0.453 0.000 0.471 5 N N 8.575 126.942 118.700 -0.555 0.000 2.671 5 N HA 0.197 4.668 4.740 -0.448 0.000 0.303 5 N C -1.557 173.629 175.510 -0.541 0.000 1.351 5 N CA -0.236 52.527 53.050 -0.479 0.000 0.991 5 N CB 0.258 38.530 38.487 -0.358 0.000 1.307 5 N HN 0.382 8.220 8.380 -0.720 0.110 0.512 6 Y N -2.930 116.951 120.300 -0.698 0.000 2.379 6 Y HA -0.104 3.998 4.550 -0.747 0.000 0.337 6 Y C -0.781 174.915 175.900 -0.340 0.000 1.238 6 Y CA -1.539 56.137 58.100 -0.706 0.000 1.405 6 Y CB 0.685 38.474 38.460 -1.118 0.000 1.310 6 Y HN -0.858 7.054 8.280 -0.464 0.089 0.569 7 D N 2.483 122.806 120.400 -0.128 0.000 2.356 7 D HA -0.184 4.318 4.640 -0.230 0.000 0.272 7 D C 0.285 176.477 176.300 -0.180 0.000 1.337 7 D CA 0.583 54.530 54.000 -0.089 0.000 0.970 7 D CB -0.400 40.521 40.800 0.202 0.000 1.092 7 D HN 0.179 8.535 8.370 -0.023 0.000 0.516 8 S N 5.615 120.981 115.700 -0.557 0.000 2.945 8 S HA -0.319 3.694 4.470 -0.763 0.000 0.317 8 S C -0.471 174.060 174.600 -0.115 0.000 0.836 8 S CA 2.082 60.014 58.200 -0.447 0.000 2.148 8 S CB -0.787 62.199 63.200 -0.356 0.000 1.289 8 S HN 0.026 7.969 8.310 -0.612 0.000 0.689 9 S N 3.044 118.793 115.700 0.082 0.000 1.946 9 S HA -0.048 4.394 4.470 -0.045 0.000 0.223 9 S C -0.594 173.958 174.600 -0.079 0.000 0.832 9 S CA 0.790 58.911 58.200 -0.132 0.000 1.453 9 S CB 0.577 63.504 63.200 -0.456 0.000 0.947 9 S HN 0.239 8.804 8.310 0.481 0.034 0.408 10 F N 1.399 121.564 119.950 0.358 0.000 2.663 10 F HA 0.067 4.786 4.527 0.320 0.000 0.299 10 F C 0.881 176.754 175.800 0.122 0.000 1.143 10 F CA -0.685 57.498 58.000 0.305 0.000 1.387 10 F CB 0.471 39.633 39.000 0.271 0.000 1.019 10 F HN -0.605 7.908 8.300 0.355 0.000 0.523 11 G N -0.025 108.783 108.800 0.014 0.000 3.003 11 G HA2 -0.216 3.258 3.960 -0.809 0.000 0.266 11 G HA3 -0.216 3.688 3.960 -0.092 0.000 0.266 11 G C -0.321 174.575 174.900 -0.006 0.000 0.755 11 G CA 0.250 45.179 45.100 -0.285 0.000 2.061 11 G HN -0.068 8.270 8.290 0.264 0.110 0.599 12 G N 0.843 109.674 108.800 0.052 0.000 3.988 12 G HA2 -0.008 3.923 3.960 -0.048 0.000 0.195 12 G HA3 -0.008 3.936 3.960 -0.027 0.000 0.195 12 G C -1.290 173.514 174.900 -0.160 0.000 1.060 12 G CA 0.397 45.476 45.100 -0.036 0.000 0.847 12 G HN 0.071 8.413 8.290 0.191 0.062 0.515 13 Y N 1.733 121.802 120.300 -0.386 0.000 2.309 13 Y HA -0.066 4.302 4.550 -0.305 0.000 0.327 13 Y C -0.608 174.858 175.900 -0.724 0.000 1.172 13 Y CA 0.306 58.041 58.100 -0.608 0.000 1.280 13 Y CB 0.681 38.562 38.460 -0.966 0.000 1.234 13 Y HN -0.629 7.687 8.280 0.060 0.000 0.512 14 S N 3.146 118.698 115.700 -0.246 0.000 2.549 14 S HA 0.105 4.642 4.470 -0.153 -0.159 0.279 14 S C 1.698 176.199 174.600 -0.166 0.000 1.321 14 S CA 0.743 58.851 58.200 -0.153 0.000 1.054 14 S CB 0.432 63.620 63.200 -0.021 0.000 0.899 14 S HN -0.027 8.405 8.310 -0.163 -0.220 0.497 15 I N 5.614 126.163 120.570 -0.035 0.000 2.145 15 I HA -0.532 3.779 4.170 0.235 0.000 0.244 15 I C 1.111 177.403 176.117 0.291 0.000 1.075 15 I CA 3.426 64.864 61.300 0.229 0.000 1.332 15 I CB -1.786 36.488 38.000 0.455 0.000 1.033 15 I HN 0.283 8.513 8.210 0.033 0.000 0.410 16 H N -0.065 119.097 119.070 0.153 0.000 2.422 16 H HA -0.418 4.237 4.556 0.165 0.000 0.298 16 H C 1.948 177.356 175.328 0.134 0.000 1.098 16 H CA 4.308 60.439 56.048 0.138 0.000 1.315 16 H CB -0.068 29.745 29.762 0.086 0.000 1.382 16 H HN -0.034 8.330 8.280 0.305 0.099 0.523 17 D N -0.417 120.140 120.400 0.262 0.000 2.077 17 D HA -0.314 4.477 4.640 0.251 0.000 0.196 17 D C 1.984 178.448 176.300 0.274 0.000 0.986 17 D CA 3.320 57.471 54.000 0.251 0.000 0.829 17 D CB -0.615 40.312 40.800 0.211 0.000 0.983 17 D HN 0.037 8.371 8.370 0.220 0.168 0.453 18 Y N 1.234 121.658 120.300 0.207 0.000 2.200 18 Y HA -0.328 4.288 4.550 0.109 0.000 0.290 18 Y C 1.670 177.695 175.900 0.208 0.000 1.137 18 Y CA 3.484 61.645 58.100 0.101 0.000 1.163 18 Y CB 0.242 38.639 38.460 -0.105 0.000 0.988 18 Y HN -0.822 7.659 8.280 0.335 0.000 0.518 19 L N -2.243 119.111 121.223 0.219 0.000 2.012 19 L HA -0.533 3.990 4.340 0.306 0.000 0.210 19 L C 2.486 179.374 176.870 0.029 0.000 1.073 19 L CA 3.214 58.174 54.840 0.200 0.000 0.748 19 L CB -0.936 41.286 42.059 0.271 0.000 0.891 19 L HN 0.273 8.717 8.230 0.356 0.000 0.431 20 G N -2.644 106.099 108.800 -0.095 0.000 2.418 20 G HA2 -0.422 3.459 3.960 -0.132 0.000 0.217 20 G HA3 -0.422 3.434 3.960 -0.172 0.000 0.217 20 G C 1.139 175.992 174.900 -0.079 0.000 1.158 20 G CA 1.736 46.760 45.100 -0.127 0.000 0.771 20 G HN 0.067 8.178 8.290 -0.120 0.107 0.545 21 Q N 2.866 122.618 119.800 -0.081 0.000 2.084 21 Q HA -0.316 3.983 4.340 -0.067 0.000 0.202 21 Q C 1.788 177.673 176.000 -0.191 0.000 0.978 21 Q CA 2.910 58.650 55.803 -0.104 0.000 0.844 21 Q CB 0.002 28.715 28.738 -0.041 0.000 0.898 21 Q HN -0.444 7.725 8.270 -0.052 0.070 0.426 22 W N 1.543 122.522 121.300 -0.535 0.000 2.358 22 W HA -0.244 4.167 4.660 -0.415 0.000 0.303 22 W C 2.171 178.543 176.519 -0.245 0.000 1.208 22 W CA 3.405 60.467 57.345 -0.473 0.000 1.274 22 W CB -0.123 28.988 29.460 -0.583 0.000 1.138 22 W HN 0.747 8.603 8.180 -0.348 0.115 0.515 23 A N -2.158 120.585 122.820 -0.129 0.000 1.969 23 A HA -0.432 3.422 4.320 -0.776 0.000 0.218 23 A C 1.645 179.081 177.584 -0.247 0.000 1.169 23 A CA 2.896 54.736 52.037 -0.328 0.000 0.635 23 A CB -1.137 17.790 19.000 -0.122 0.000 0.810 23 A HN 0.218 8.438 8.150 0.116 0.000 0.445 24 S N -1.475 114.113 115.700 -0.187 0.000 2.356 24 S HA -0.229 4.176 4.470 -0.108 0.000 0.223 24 S C 2.312 176.797 174.600 -0.192 0.000 1.032 24 S CA 3.339 61.452 58.200 -0.146 0.000 1.005 24 S CB -0.430 62.706 63.200 -0.107 0.000 0.867 24 S HN -0.020 8.076 8.310 -0.162 0.117 0.449 25 T N 1.135 115.516 114.554 -0.287 0.000 2.915 25 T HA -0.242 3.921 4.350 -0.312 0.000 0.269 25 T C 1.430 175.906 174.700 -0.373 0.000 1.071 25 T CA 2.752 64.628 62.100 -0.374 0.000 1.132 25 T CB -0.348 68.204 68.868 -0.527 0.000 0.878 25 T HN -0.032 8.030 8.240 -0.297 0.000 0.479 26 F N 3.566 123.128 119.950 -0.646 0.000 2.075 26 F HA -0.237 3.918 4.527 -0.621 0.000 0.297 26 F C 1.394 176.973 175.800 -0.368 0.000 1.113 26 F CA 2.913 60.518 58.000 -0.658 0.000 1.218 26 F CB 0.448 38.831 39.000 -1.028 0.000 0.984 26 F HN -0.228 7.569 8.300 -0.464 0.225 0.472 27 G N -3.525 105.254 108.800 -0.035 0.000 2.509 27 G HA2 -0.381 3.559 3.960 -0.033 0.000 0.218 27 G HA3 -0.381 3.575 3.960 -0.007 0.000 0.218 27 G C -0.929 173.903 174.900 -0.113 0.000 1.124 27 G CA 0.521 45.593 45.100 -0.047 0.000 0.776 27 G HN -0.118 8.162 8.290 -0.017 0.000 0.547 28 D N 1.440 121.757 120.400 -0.139 0.000 2.367 28 D HA -0.061 4.534 4.640 -0.075 0.000 0.255 28 D C 1.356 177.602 176.300 -0.090 0.000 1.300 28 D CA -0.265 53.674 54.000 -0.102 0.000 0.959 28 D CB -0.055 40.680 40.800 -0.108 0.000 1.064 28 D HN -0.756 7.331 8.370 -0.171 0.181 0.509 29 V N 2.988 122.854 119.914 -0.081 0.000 2.594 29 V HA -0.426 3.632 4.120 -0.120 -0.009 0.253 29 V C -0.084 175.979 176.094 -0.052 0.000 1.069 29 V CA 2.875 65.126 62.300 -0.082 0.000 1.082 29 V CB 0.129 31.912 31.823 -0.067 0.000 0.680 29 V HN -0.387 7.762 8.190 -0.070 0.000 0.469 30 N N -5.746 112.941 118.700 -0.022 0.000 2.353 30 N HA -0.198 4.524 4.740 -0.029 0.000 0.185 30 N C -0.911 174.604 175.510 0.007 0.000 1.098 30 N CA 0.080 53.123 53.050 -0.012 0.000 0.872 30 N CB -0.289 38.195 38.487 -0.006 0.000 0.970 30 N HN -0.392 7.930 8.380 -0.019 0.047 0.467 31 H N 2.501 121.524 119.070 -0.079 0.000 2.929 31 H HA -0.178 4.348 4.556 -0.051 0.000 0.317 31 H C -0.838 174.449 175.328 -0.068 0.000 1.031 31 H CA 1.442 57.448 56.048 -0.071 0.000 1.466 31 H CB 0.580 30.287 29.762 -0.092 0.000 1.482 31 H HN -0.625 7.706 8.280 0.085 0.001 0.561 32 T N 2.589 116.844 114.554 -0.498 0.000 2.742 32 T HA 0.099 4.287 4.350 -0.270 0.000 0.282 32 T C -1.376 173.061 174.700 -0.438 0.000 1.025 32 T CA -1.386 60.499 62.100 -0.357 0.000 1.020 32 T CB 2.273 71.031 68.868 -0.184 0.000 1.317 32 T HN -0.223 7.690 8.240 -0.546 0.000 0.538 33 N N -0.098 118.468 118.700 -0.224 0.000 2.648 33 N HA 0.088 4.735 4.740 -0.154 0.000 0.272 33 N C -0.128 175.336 175.510 -0.078 0.000 1.118 33 N CA 0.406 53.368 53.050 -0.147 0.000 0.973 33 N CB 1.675 40.101 38.487 -0.102 0.000 1.565 33 N HN 0.029 8.310 8.380 -0.164 0.000 0.542 34 G N 2.738 111.505 108.800 -0.055 0.000 2.776 34 G HA2 -0.093 3.845 3.960 -0.038 0.000 0.209 34 G HA3 -0.093 3.851 3.960 -0.027 0.000 0.209 34 G C 0.257 175.145 174.900 -0.019 0.000 1.145 34 G CA 1.088 46.168 45.100 -0.033 0.000 0.791 34 G HN 0.520 8.776 8.290 -0.056 0.000 0.530 35 N N -0.533 118.158 118.700 -0.014 0.000 2.205 35 N HA 0.087 4.827 4.740 -0.001 0.000 0.201 35 N C -0.796 174.712 175.510 -0.004 0.000 1.128 35 N CA 0.375 53.424 53.050 -0.001 0.000 0.867 35 N CB 1.766 40.261 38.487 0.013 0.000 0.996 35 N HN -0.242 8.316 8.380 -0.021 -0.191 0.503 36 V N 1.798 121.703 119.914 -0.015 0.000 2.432 36 V HA -0.116 4.236 4.120 -0.009 -0.237 0.271 36 V C 0.152 176.235 176.094 -0.019 0.000 1.046 36 V CA 0.768 63.058 62.300 -0.018 0.000 0.945 36 V CB 0.371 32.176 31.823 -0.030 0.000 0.992 36 V HN -0.494 7.510 8.190 -0.025 0.171 0.471 37 T N 7.437 121.983 114.554 -0.014 0.000 3.207 37 T HA -0.038 4.304 4.350 -0.013 0.000 0.229 37 T C 0.332 175.021 174.700 -0.018 0.000 0.999 37 T CA 1.660 63.753 62.100 -0.013 0.000 1.386 37 T CB 0.568 69.433 68.868 -0.005 0.000 1.130 37 T HN 0.734 9.469 8.240 -0.010 -0.501 0.435 38 D N 2.104 122.493 120.400 -0.018 0.000 2.107 38 D HA -0.136 4.492 4.640 -0.018 0.000 0.204 38 D C 0.452 176.725 176.300 -0.045 0.000 0.978 38 D CA 0.279 54.264 54.000 -0.025 0.000 0.852 38 D CB 0.295 41.083 40.800 -0.020 0.000 1.008 38 D HN -0.080 8.282 8.370 -0.014 0.000 0.458 39 A N 0.109 122.894 122.820 -0.057 0.000 2.089 39 A HA -0.370 3.995 4.320 -0.075 -0.090 0.260 39 A C -1.795 175.719 177.584 -0.117 0.000 1.378 39 A CA 0.511 52.502 52.037 -0.077 0.000 0.714 39 A CB -2.424 16.538 19.000 -0.064 0.000 1.180 39 A HN -0.265 7.856 8.150 -0.048 0.000 0.304 40 N N 1.956 120.544 118.700 -0.188 0.000 2.497 40 N HA 0.015 4.621 4.740 -0.222 0.000 0.271 40 N C 0.546 175.884 175.510 -0.286 0.000 1.142 40 N CA 0.251 53.117 53.050 -0.307 0.000 0.965 40 N CB 1.437 39.541 38.487 -0.638 0.000 1.077 40 N HN -0.365 7.786 8.380 -0.183 0.119 0.462 41 S N 2.664 118.234 115.700 -0.217 0.000 2.414 41 S HA -0.016 4.375 4.470 -0.131 0.000 0.227 41 S C -0.701 173.803 174.600 -0.160 0.000 1.022 41 S CA 1.763 59.874 58.200 -0.147 0.000 0.958 41 S CB 0.862 64.011 63.200 -0.085 0.000 0.797 41 S HN 0.382 8.576 8.310 -0.193 0.000 0.493 42 G N -5.094 103.589 108.800 -0.195 0.000 2.340 42 G HA2 0.077 4.002 3.960 -0.211 0.000 0.299 42 G HA3 0.077 3.967 3.960 -0.076 0.024 0.299 42 G C -2.097 172.844 174.900 0.069 0.000 1.291 42 G CA -0.049 44.975 45.100 -0.127 0.000 0.841 42 G HN -0.863 7.273 8.290 -0.258 0.000 0.500 43 G N -1.400 107.541 108.800 0.234 0.000 2.683 43 G HA2 0.126 4.528 3.960 0.737 0.000 0.149 43 G HA3 0.126 4.491 3.960 0.675 0.000 0.149 43 G C -1.140 174.003 174.900 0.405 0.000 1.467 43 G CA 0.324 45.749 45.100 0.542 0.000 0.806 43 G HN -0.351 8.015 8.290 0.127 0.000 0.709 44 F N -1.142 119.032 119.950 0.373 0.000 2.807 44 F HA -0.303 4.353 4.527 0.055 -0.096 0.297 44 F C -0.873 174.984 175.800 0.094 0.000 1.024 44 F CA -0.109 57.950 58.000 0.098 0.000 1.008 44 F CB -3.018 35.926 39.000 -0.093 0.000 1.142 44 F HN -0.115 8.424 8.300 0.398 0.000 0.829 45 Y N 1.999 122.398 120.300 0.165 0.000 2.623 45 Y HA -0.135 4.414 4.550 -0.002 0.000 0.341 45 Y C -1.498 174.408 175.900 0.011 0.000 1.292 45 Y CA 0.696 58.805 58.100 0.015 0.000 1.840 45 Y CB -2.038 36.351 38.460 -0.118 0.000 1.865 45 Y HN 0.348 8.786 8.280 0.438 0.105 0.440 46 G N 0.849 109.637 108.800 -0.021 0.000 2.593 46 G HA2 0.170 4.108 3.960 -0.038 0.000 0.189 46 G HA3 0.170 4.231 3.960 -0.004 -0.103 0.189 46 G C -1.185 173.659 174.900 -0.094 0.000 1.560 46 G CA 0.493 45.569 45.100 -0.040 0.000 0.648 46 G HN -0.030 8.183 8.290 -0.042 0.052 1.097 47 G N 0.388 109.125 108.800 -0.105 0.000 2.623 47 G HA2 0.093 3.979 3.960 -0.123 0.000 0.085 47 G HA3 0.093 3.987 3.960 -0.110 0.000 0.085 47 G C -0.154 174.672 174.900 -0.124 0.000 1.116 47 G CA 0.913 45.943 45.100 -0.117 0.000 1.200 47 G HN -0.678 7.564 8.290 -0.080 0.000 0.556 48 S N 0.501 116.116 115.700 -0.143 0.000 2.387 48 S HA 0.002 4.400 4.470 -0.120 0.000 0.226 48 S C 0.634 175.085 174.600 -0.248 0.000 1.026 48 S CA 2.394 60.501 58.200 -0.156 0.000 0.972 48 S CB 0.487 63.600 63.200 -0.145 0.000 0.814 48 S HN 0.252 8.480 8.310 -0.136 0.000 0.477 49 L N -8.486 112.506 121.223 -0.385 0.000 3.659 49 L HA 0.232 3.964 4.340 -1.014 0.000 0.372 49 L C -2.260 174.022 176.870 -0.980 0.000 1.332 49 L CA -0.093 54.251 54.840 -0.827 0.000 1.045 49 L CB -0.531 41.089 42.059 -0.733 0.000 1.360 49 L HN -0.552 7.494 8.230 -0.307 0.000 0.600 50 S N -2.911 112.469 115.700 -0.535 0.000 2.688 50 S HA 0.268 4.512 4.470 -0.377 0.000 0.275 50 S C -1.499 173.041 174.600 -0.100 0.000 1.175 50 S CA -1.234 56.779 58.200 -0.312 0.000 0.818 50 S CB 2.945 66.015 63.200 -0.216 0.000 1.157 50 S HN -0.802 7.289 8.310 -0.365 0.000 0.482 51 G N -1.073 107.709 108.800 -0.030 0.000 2.339 51 G HA2 -0.034 3.923 3.960 -0.004 0.000 0.275 51 G HA3 -0.034 3.965 3.960 0.065 0.000 0.275 51 G C -1.520 173.416 174.900 0.060 0.000 1.323 51 G CA 0.549 45.665 45.100 0.027 0.000 0.927 51 G HN 0.089 8.345 8.290 -0.056 0.000 0.486 52 S N -1.245 114.503 115.700 0.081 0.000 2.503 52 S HA 0.030 4.671 4.470 0.063 -0.134 0.217 52 S C -0.219 174.447 174.600 0.111 0.000 0.999 52 S CA 0.838 59.086 58.200 0.079 0.000 0.914 52 S CB 1.966 65.203 63.200 0.061 0.000 0.782 52 S HN 0.102 8.463 8.310 0.085 0.000 0.520 53 Q N 0.093 119.986 119.800 0.155 0.000 2.389 53 Q HA 0.543 5.118 4.340 0.127 -0.159 0.277 53 Q C -2.467 173.692 176.000 0.265 0.000 1.082 53 Q CA -0.828 55.068 55.803 0.155 0.000 0.810 53 Q CB 4.158 32.941 28.738 0.075 0.000 1.374 53 Q HN -0.832 7.504 8.270 0.177 0.040 0.422 54 Y N 5.180 125.477 120.300 -0.006 0.000 2.287 54 Y HA 0.213 4.812 4.550 -0.070 -0.091 0.325 54 Y C -2.966 172.762 175.900 -0.287 0.000 1.139 54 Y CA -1.745 56.285 58.100 -0.116 0.000 1.167 54 Y CB 2.927 41.322 38.460 -0.108 0.000 1.158 54 Y HN 0.389 8.728 8.280 0.099 0.000 0.434 55 A N 7.575 130.255 122.820 -0.233 0.000 2.279 55 A HA 0.668 4.750 4.320 -0.625 -0.137 0.303 55 A C -2.032 175.177 177.584 -0.626 0.000 1.108 55 A CA -1.901 49.877 52.037 -0.433 0.000 0.830 55 A CB 2.444 21.378 19.000 -0.111 0.000 1.106 55 A HN 0.217 8.488 8.150 0.107 -0.057 0.493 56 I N -1.763 118.495 120.570 -0.519 0.000 2.692 56 I HA 0.376 4.514 4.170 -0.248 -0.117 0.293 56 I C -1.892 174.223 176.117 -0.002 0.000 1.200 56 I CA -1.233 59.918 61.300 -0.248 0.000 1.036 56 I CB 4.720 42.657 38.000 -0.106 0.000 1.258 56 I HN 0.395 8.302 8.210 -0.506 0.000 0.421 57 S N 4.593 120.299 115.700 0.009 0.000 2.568 57 S HA 0.295 4.834 4.470 0.115 0.000 0.293 57 S C -0.872 173.684 174.600 -0.074 0.000 1.089 57 S CA -2.764 55.445 58.200 0.014 0.000 0.945 57 S CB 1.805 64.962 63.200 -0.072 0.000 1.077 57 S HN 0.006 8.293 8.310 -0.038 0.000 0.485 58 S N 3.910 119.406 115.700 -0.341 0.000 2.596 58 S HA -0.127 3.401 4.470 -1.572 0.000 0.298 58 S C 1.309 175.633 174.600 -0.461 0.000 1.255 58 S CA 0.646 58.290 58.200 -0.926 0.000 1.083 58 S CB 0.722 63.239 63.200 -1.139 0.000 0.837 58 S HN 0.138 8.190 8.310 -0.260 0.102 0.499 59 T N 6.021 120.374 114.554 -0.334 0.000 3.535 59 T HA -0.016 4.253 4.350 -0.136 0.000 0.238 59 T C -1.242 173.352 174.700 -0.177 0.000 0.909 59 T CA -0.181 61.821 62.100 -0.164 0.000 0.928 59 T CB -1.816 67.023 68.868 -0.049 0.000 1.134 59 T HN 0.544 8.587 8.240 -0.328 0.000 0.627 60 A N 1.256 123.920 122.820 -0.260 0.000 1.633 60 A HA 0.269 4.507 4.320 -0.137 0.000 0.212 60 A C -0.526 176.946 177.584 -0.185 0.000 1.823 60 A CA 1.146 53.060 52.037 -0.205 0.000 1.343 60 A CB 1.348 20.208 19.000 -0.233 0.000 1.309 60 A HN -0.331 7.482 8.150 -0.345 0.130 0.404 61 N N -3.404 115.153 118.700 -0.240 0.000 2.159 61 N HA 0.055 4.803 4.740 -0.124 -0.082 0.217 61 N C 0.451 175.868 175.510 -0.156 0.000 1.223 61 N CA -0.833 52.118 53.050 -0.165 0.000 0.896 61 N CB 2.485 40.894 38.487 -0.130 0.000 1.064 61 N HN -0.467 7.701 8.380 -0.354 0.000 0.518 62 Q N -2.976 116.705 119.800 -0.198 0.000 2.358 62 Q HA -0.375 4.004 4.340 -0.196 -0.157 0.318 62 Q C -0.695 175.234 176.000 -0.119 0.000 1.243 62 Q CA 1.395 57.101 55.803 -0.162 0.000 0.949 62 Q CB -2.134 26.532 28.738 -0.120 0.000 1.224 62 Q HN -0.080 7.982 8.270 -0.246 0.060 0.473 63 V N -1.616 118.229 119.914 -0.115 0.000 3.159 63 V HA 0.177 4.272 4.120 -0.041 0.000 0.234 63 V C -1.358 174.738 176.094 0.003 0.000 1.313 63 V CA 0.682 62.956 62.300 -0.044 0.000 1.271 63 V CB 2.762 34.569 31.823 -0.026 0.000 1.053 63 V HN 0.645 9.102 8.190 -0.163 -0.365 0.476 64 T N 5.802 120.318 114.554 -0.064 0.000 2.825 64 T HA -0.184 4.314 4.350 0.094 -0.092 0.270 64 T C -1.267 173.510 174.700 0.128 0.000 0.919 64 T CA 2.497 64.567 62.100 -0.050 0.000 1.159 64 T CB -1.625 67.024 68.868 -0.365 0.000 0.889 64 T HN -0.171 8.353 8.240 -0.146 -0.372 0.565 65 A N 7.962 130.991 122.820 0.348 0.000 2.373 65 A HA 0.691 5.309 4.320 0.365 -0.079 0.291 65 A C -2.547 175.425 177.584 0.648 0.000 1.171 65 A CA -2.075 50.196 52.037 0.391 0.000 0.922 65 A CB 3.786 22.882 19.000 0.160 0.000 1.400 65 A HN 0.712 9.076 8.150 0.358 0.000 0.474 66 F N -2.471 117.634 119.950 0.257 0.000 2.622 66 F HA 0.944 5.894 4.527 0.230 -0.285 0.318 66 F C -2.854 172.985 175.800 0.065 0.000 1.135 66 F CA -1.038 57.059 58.000 0.161 0.000 1.015 66 F CB 3.632 42.628 39.000 -0.006 0.000 1.275 66 F HN 0.707 9.146 8.300 0.231 0.000 0.457 67 V N 5.803 125.562 119.914 -0.257 0.000 2.357 67 V HA 0.182 3.941 4.120 -0.602 0.000 0.284 67 V C -1.848 174.046 176.094 -0.333 0.000 1.018 67 V CA -1.367 60.693 62.300 -0.400 0.000 0.841 67 V CB 1.830 33.596 31.823 -0.094 0.000 0.991 67 V HN 0.790 8.963 8.190 0.170 0.119 0.437 68 A N 7.192 129.705 122.820 -0.512 0.000 2.304 68 A HA 0.612 5.171 4.320 0.197 -0.121 0.301 68 A C -1.249 176.361 177.584 0.043 0.000 1.132 68 A CA -1.852 50.164 52.037 -0.036 0.000 0.819 68 A CB 2.666 21.714 19.000 0.079 0.000 1.094 68 A HN 0.739 8.422 8.150 -0.778 0.000 0.492 69 G N -0.870 107.997 108.800 0.112 0.000 2.711 69 G HA2 0.698 4.906 3.960 0.090 0.000 0.288 69 G HA3 0.698 4.702 3.960 0.075 0.000 0.288 69 G C -2.081 172.881 174.900 0.103 0.000 1.451 69 G CA -0.324 44.832 45.100 0.094 0.000 1.186 69 G HN 0.114 8.497 8.290 0.155 0.000 0.560 70 G N 3.906 112.762 108.800 0.094 0.000 3.091 70 G HA2 0.208 4.212 3.960 0.072 0.000 0.137 70 G HA3 0.208 4.353 3.960 0.088 -0.132 0.137 70 G C -2.777 172.158 174.900 0.060 0.000 1.180 70 G CA 1.325 46.473 45.100 0.079 0.000 1.466 70 G HN 0.869 9.097 8.290 0.094 0.119 0.704 71 N N 1.672 120.400 118.700 0.046 0.000 2.595 71 N HA 0.202 5.041 4.740 0.014 -0.091 0.291 71 N C -1.039 174.446 175.510 -0.042 0.000 1.706 71 N CA -0.389 52.666 53.050 0.007 0.000 0.867 71 N CB 1.925 40.411 38.487 -0.001 0.000 1.414 71 N HN 0.307 8.577 8.380 0.056 0.144 0.492 72 L N 0.626 121.856 121.223 0.011 0.000 2.540 72 L HA 0.017 4.511 4.340 -0.056 -0.188 0.276 72 L C -0.624 176.167 176.870 -0.131 0.000 1.212 72 L CA 1.108 55.942 54.840 -0.010 0.000 0.893 72 L CB -0.166 41.990 42.059 0.161 0.000 1.138 72 L HN -0.175 8.097 8.230 0.069 0.000 0.491 73 T N 3.280 117.636 114.554 -0.329 0.000 2.921 73 T HA 0.324 4.508 4.350 -0.276 0.000 0.297 73 T C -1.953 172.562 174.700 -0.308 0.000 1.013 73 T CA -1.025 60.816 62.100 -0.430 0.000 0.990 73 T CB 2.967 71.384 68.868 -0.753 0.000 1.023 73 T HN 0.532 8.430 8.240 -0.377 0.115 0.447 74 Y N 8.663 128.788 120.300 -0.292 0.000 2.327 74 Y HA 0.123 4.766 4.550 -0.089 -0.146 0.336 74 Y C 1.042 176.952 175.900 0.017 0.000 1.035 74 Y CA -0.044 57.955 58.100 -0.169 0.000 1.165 74 Y CB 1.960 40.206 38.460 -0.357 0.000 1.181 74 Y HN -0.032 8.164 8.280 -0.139 0.000 0.494 75 T N 4.560 119.021 114.554 -0.155 0.000 2.788 75 T HA -0.310 4.185 4.350 0.240 0.000 0.268 75 T C 1.175 175.904 174.700 0.047 0.000 1.044 75 T CA 2.329 64.439 62.100 0.017 0.000 1.139 75 T CB 0.791 69.603 68.868 -0.092 0.000 0.867 75 T HN 1.003 8.864 8.240 -0.443 0.114 0.454 76 L N -0.210 121.004 121.223 -0.015 0.000 3.833 76 L HA -0.520 3.950 4.340 0.216 0.000 0.053 76 L C 0.476 177.543 176.870 0.328 0.000 4.081 76 L CA 3.369 58.369 54.840 0.267 0.000 0.971 76 L CB -1.127 41.158 42.059 0.376 0.000 3.354 76 L HN -0.305 7.607 8.230 -0.499 0.019 0.800 77 F N -2.069 117.921 119.950 0.067 0.000 2.693 77 F HA 0.041 4.626 4.527 0.096 0.000 0.303 77 F C 0.180 175.998 175.800 0.030 0.000 1.097 77 F CA -0.535 57.504 58.000 0.065 0.000 1.330 77 F CB -0.233 38.799 39.000 0.054 0.000 1.067 77 F HN -0.522 8.067 8.300 0.482 0.000 0.565 78 N N 0.645 119.434 118.700 0.148 0.000 2.364 78 N HA -0.003 4.775 4.740 0.063 0.000 0.264 78 N C 0.223 175.730 175.510 -0.004 0.000 1.263 78 N CA 0.374 53.453 53.050 0.050 0.000 0.959 78 N CB 1.038 39.525 38.487 -0.000 0.000 1.204 78 N HN -0.269 8.005 8.380 0.156 0.200 0.550 79 E N -0.066 120.110 120.200 -0.040 0.000 2.049 79 E HA -0.148 4.183 4.350 -0.032 0.000 0.198 79 E C -0.351 176.218 176.600 -0.052 0.000 1.007 79 E CA 2.889 59.261 56.400 -0.047 0.000 0.809 79 E CB -1.600 28.064 29.700 -0.059 0.000 0.749 79 E HN 0.433 8.761 8.360 -0.053 0.000 0.450 80 P HA -0.139 4.255 4.420 -0.044 0.000 0.216 80 P C -1.380 175.901 177.300 -0.032 0.000 1.150 80 P CA 0.846 63.914 63.100 -0.054 0.000 0.837 80 P CB 0.244 31.901 31.700 -0.072 0.000 0.786 81 A N -3.357 119.444 122.820 -0.031 0.000 2.202 81 A HA -0.366 4.218 4.320 0.031 -0.246 0.597 81 A C -0.617 177.017 177.584 0.083 0.000 0.318 81 A CA 0.413 52.461 52.037 0.018 0.000 0.265 81 A CB -1.483 17.515 19.000 -0.004 0.000 3.467 81 A HN -0.771 7.339 8.150 -0.047 0.012 0.477 82 H N 0.470 119.474 119.070 -0.110 0.000 2.672 82 H HA -0.455 4.043 4.556 -0.097 0.000 0.325 82 H C -1.535 173.631 175.328 -0.269 0.000 1.158 82 H CA 1.615 57.607 56.048 -0.094 0.000 1.134 82 H CB -1.934 27.910 29.762 0.136 0.000 1.553 82 H HN 0.439 8.638 8.280 0.050 0.111 0.419 83 T N -6.392 107.800 114.554 -0.602 0.000 2.843 83 T HA 0.322 4.602 4.350 -0.116 0.000 0.302 83 T C -2.766 171.617 174.700 -0.529 0.000 1.232 83 T CA -1.896 60.017 62.100 -0.312 0.000 1.009 83 T CB 2.732 71.601 68.868 0.002 0.000 1.254 83 T HN 0.094 7.800 8.240 -0.890 0.000 0.504 84 L N 0.601 121.519 121.223 -0.508 0.000 2.344 84 L HA 0.527 4.900 4.340 -0.159 -0.128 0.272 84 L C -1.539 175.382 176.870 0.084 0.000 1.035 84 L CA -1.196 53.462 54.840 -0.304 0.000 0.807 84 L CB 2.599 44.424 42.059 -0.390 0.000 1.237 84 L HN 0.247 7.895 8.230 -0.969 0.000 0.442 85 Y N -0.521 119.762 120.300 -0.029 0.000 3.050 85 Y HA 0.500 5.101 4.550 0.085 0.000 0.281 85 Y C -1.394 174.541 175.900 0.058 0.000 1.866 85 Y CA -1.461 56.664 58.100 0.042 0.000 1.068 85 Y CB 1.537 40.013 38.460 0.027 0.000 2.212 85 Y HN 0.959 9.207 8.280 -0.054 0.000 0.410 86 G N -2.792 105.895 108.800 -0.189 0.000 2.582 86 G HA2 -0.309 3.511 3.960 -0.233 0.000 0.222 86 G HA3 -0.309 3.602 3.960 -0.331 -0.150 0.222 86 G C -2.282 172.621 174.900 0.005 0.000 1.311 86 G CA -0.512 44.453 45.100 -0.226 0.000 0.915 86 G HN -0.352 8.142 8.290 0.340 0.000 0.528 87 Q N 0.215 120.019 119.800 0.006 0.000 2.193 87 Q HA 0.658 5.166 4.340 0.062 -0.130 0.246 87 Q C -1.004 175.038 176.000 0.070 0.000 0.959 87 Q CA -1.332 54.500 55.803 0.048 0.000 0.904 87 Q CB 3.024 31.787 28.738 0.042 0.000 1.238 87 Q HN -0.199 7.911 8.270 -0.032 0.141 0.469 88 L N 0.576 121.846 121.223 0.078 0.000 2.549 88 L HA 0.303 4.820 4.340 0.108 -0.112 0.259 88 L C -3.020 173.902 176.870 0.086 0.000 0.934 88 L CA 0.197 55.095 54.840 0.096 0.000 0.865 88 L CB 3.662 45.787 42.059 0.111 0.000 1.352 88 L HN 0.281 8.552 8.230 0.068 0.000 0.410 89 D N 4.818 125.279 120.400 0.102 0.000 2.760 89 D HA 0.363 5.154 4.640 0.100 -0.091 0.285 89 D C -0.915 175.476 176.300 0.152 0.000 1.178 89 D CA 0.861 54.928 54.000 0.111 0.000 1.031 89 D CB 3.039 43.898 40.800 0.099 0.000 1.544 89 D HN 0.868 9.205 8.370 0.112 0.101 0.468 90 S N -0.948 114.839 115.700 0.146 0.000 2.593 90 S HA 0.412 5.040 4.470 0.211 -0.032 0.297 90 S C -1.394 173.328 174.600 0.203 0.000 1.112 90 S CA -0.692 57.609 58.200 0.168 0.000 1.043 90 S CB 2.618 65.884 63.200 0.110 0.000 1.054 90 S HN 0.067 8.451 8.310 0.124 0.000 0.516 91 L N -1.404 119.972 121.223 0.254 0.000 2.341 91 L HA 0.959 5.725 4.340 0.362 -0.208 0.254 91 L C -0.296 176.719 176.870 0.242 0.000 1.040 91 L CA -1.349 53.696 54.840 0.342 0.000 0.837 91 L CB 4.573 46.874 42.059 0.404 0.000 1.425 91 L HN 0.769 9.013 8.230 0.260 0.142 0.414 92 S N -0.992 114.909 115.700 0.336 0.000 2.599 92 S HA 0.128 4.587 4.470 -0.018 0.000 0.269 92 S C -1.637 173.232 174.600 0.449 0.000 1.135 92 S CA 0.236 58.547 58.200 0.185 0.000 1.027 92 S CB 0.764 64.025 63.200 0.102 0.000 1.129 92 S HN -0.105 8.586 8.310 0.634 0.000 0.458 93 F N 6.908 126.862 119.950 0.006 0.000 2.420 93 F HA 0.709 5.407 4.527 0.029 -0.154 0.342 93 F C -0.152 175.742 175.800 0.157 0.000 1.113 93 F CA -4.247 53.718 58.000 -0.059 0.000 1.059 93 F CB 1.688 40.373 39.000 -0.524 0.000 1.128 93 F HN 0.458 8.742 8.300 -0.028 0.000 0.475 94 G N 0.899 110.016 108.800 0.528 0.000 2.466 94 G HA2 0.089 4.305 3.960 0.427 0.000 0.291 94 G HA3 0.089 4.296 3.960 0.265 -0.088 0.291 94 G C -2.772 172.346 174.900 0.363 0.000 1.460 94 G CA 0.286 45.625 45.100 0.398 0.000 0.791 94 G HN -0.021 8.655 8.290 0.643 0.000 0.505 95 D N 2.203 122.762 120.400 0.265 0.000 2.316 95 D HA 0.205 5.152 4.640 0.204 -0.184 0.245 95 D C 0.159 176.530 176.300 0.119 0.000 1.171 95 D CA 0.386 54.505 54.000 0.198 0.000 0.856 95 D CB 0.906 41.834 40.800 0.213 0.000 1.090 95 D HN -0.351 8.167 8.370 0.246 0.000 0.476 96 G N 3.436 112.285 108.800 0.082 0.000 3.445 96 G HA2 -0.435 3.523 3.960 -0.004 0.000 0.680 96 G HA3 -0.435 3.536 3.960 0.018 0.000 0.680 96 G C -2.111 172.797 174.900 0.014 0.000 0.972 96 G CA -0.296 44.819 45.100 0.025 0.000 0.798 96 G HN 0.855 9.115 8.290 0.097 0.088 0.461 97 L N 3.375 124.578 121.223 -0.035 0.000 2.439 97 L HA 0.818 5.307 4.340 -0.017 -0.159 0.259 97 L C -0.040 176.789 176.870 -0.068 0.000 1.129 97 L CA -0.782 54.019 54.840 -0.065 0.000 0.803 97 L CB 1.712 43.667 42.059 -0.173 0.000 1.161 97 L HN 0.356 8.552 8.230 -0.057 0.000 0.462 98 S N -0.088 115.595 115.700 -0.028 0.000 2.667 98 S HA 0.309 4.768 4.470 -0.017 0.000 0.292 98 S C -1.678 172.981 174.600 0.099 0.000 1.126 98 S CA -2.282 55.923 58.200 0.008 0.000 0.881 98 S CB 3.362 66.573 63.200 0.019 0.000 1.132 98 S HN 0.777 9.086 8.310 -0.002 0.000 0.492 99 G N -0.379 108.499 108.800 0.129 0.000 2.322 99 G HA2 0.253 4.505 3.960 0.487 0.000 0.309 99 G HA3 0.253 4.351 3.960 0.230 0.000 0.309 99 G C 0.065 175.029 174.900 0.107 0.000 1.121 99 G CA -0.855 44.386 45.100 0.235 0.000 0.886 99 G HN 0.197 8.534 8.290 0.078 0.000 0.447 100 G N 4.329 113.147 108.800 0.031 0.000 3.340 100 G HA2 -0.074 3.885 3.960 -0.002 0.000 0.240 100 G HA3 -0.074 4.065 3.960 -0.090 -0.233 0.240 100 G C -0.785 174.121 174.900 0.010 0.000 1.327 100 G CA -0.374 44.712 45.100 -0.023 0.000 1.170 100 G HN 0.494 8.778 8.290 -0.011 0.000 0.520 101 D N -0.336 120.095 120.400 0.052 0.000 4.555 101 D HA -0.351 4.331 4.640 0.071 0.000 0.183 101 D C -0.095 176.260 176.300 0.092 0.000 0.666 101 D CA 2.661 56.699 54.000 0.064 0.000 1.462 101 D CB -0.891 39.933 40.800 0.040 0.000 0.915 101 D HN -0.475 7.787 8.370 0.069 0.150 0.477 102 T N -2.127 112.476 114.554 0.082 0.000 3.145 102 T HA 0.212 4.642 4.350 0.134 0.000 0.281 102 T C -0.395 174.399 174.700 0.157 0.000 1.003 102 T CA -0.429 61.734 62.100 0.106 0.000 0.901 102 T CB 1.162 70.060 68.868 0.050 0.000 1.112 102 T HN -0.153 8.121 8.240 0.056 0.000 0.535 103 S N 4.293 120.058 115.700 0.108 0.000 2.689 103 S HA 0.464 5.041 4.470 0.179 0.000 0.306 103 S C -2.628 171.816 174.600 -0.261 0.000 1.104 103 S CA -2.112 56.121 58.200 0.055 0.000 0.973 103 S CB 0.482 63.678 63.200 -0.007 0.000 1.121 103 S HN -0.230 7.905 8.310 0.059 0.210 0.523 104 P HA -0.003 2.903 4.420 -2.524 0.000 0.271 104 P C -0.790 176.091 177.300 -0.699 0.000 1.233 104 P CA -0.227 62.224 63.100 -1.082 0.000 0.789 104 P CB 0.530 31.937 31.700 -0.487 0.000 0.951 105 Y N -1.579 118.406 120.300 -0.525 0.000 2.385 105 Y HA 0.125 4.660 4.550 -0.244 -0.131 0.346 105 Y C 0.815 176.612 175.900 -0.173 0.000 1.270 105 Y CA 0.257 58.187 58.100 -0.283 0.000 1.472 105 Y CB 0.824 39.145 38.460 -0.233 0.000 1.354 105 Y HN 0.090 7.745 8.280 -1.042 0.000 0.611 106 S N -2.022 113.730 115.700 0.086 0.000 2.556 106 S HA 0.233 4.712 4.470 0.014 0.000 0.271 106 S C -1.833 172.784 174.600 0.029 0.000 1.135 106 S CA -1.318 56.899 58.200 0.028 0.000 0.858 106 S CB 3.096 66.300 63.200 0.007 0.000 1.114 106 S HN 0.303 8.692 8.310 0.132 0.000 0.468 107 I N 1.539 122.125 120.570 0.027 0.000 2.416 107 I HA 0.044 4.352 4.170 0.045 -0.111 0.288 107 I C 0.651 176.788 176.117 0.034 0.000 1.051 107 I CA -0.189 61.136 61.300 0.041 0.000 1.375 107 I CB -0.850 37.186 38.000 0.060 0.000 1.407 107 I HN 0.398 8.619 8.210 0.018 0.000 0.516 108 Q N 8.939 128.761 119.800 0.036 0.000 2.016 108 Q HA -0.242 4.112 4.340 0.022 0.000 0.200 108 Q C 0.626 176.651 176.000 0.043 0.000 0.978 108 Q CA 2.901 58.723 55.803 0.031 0.000 0.833 108 Q CB 0.751 29.503 28.738 0.024 0.000 0.895 108 Q HN 0.920 9.103 8.270 0.037 0.109 0.427 109 V N -0.410 119.543 119.914 0.065 0.000 2.239 109 V HA 0.321 4.482 4.120 0.068 0.000 0.267 109 V C -2.285 173.866 176.094 0.095 0.000 1.056 109 V CA -2.771 59.579 62.300 0.083 0.000 0.830 109 V CB 0.272 32.158 31.823 0.105 0.000 1.090 109 V HN -0.586 7.648 8.190 0.074 0.000 0.459 110 P HA 0.050 4.502 4.420 0.053 0.000 0.269 110 P C -1.633 175.686 177.300 0.032 0.000 1.263 110 P CA -0.067 63.056 63.100 0.039 0.000 0.813 110 P CB -0.043 31.656 31.700 -0.001 0.000 0.868 111 D N 4.097 124.516 120.400 0.031 0.000 2.415 111 D HA 0.064 4.702 4.640 -0.004 0.000 0.265 111 D C -0.231 175.925 176.300 -0.240 0.000 1.206 111 D CA -1.132 52.828 54.000 -0.065 0.000 1.113 111 D CB 2.066 42.847 40.800 -0.033 0.000 1.192 111 D HN -0.369 8.050 8.370 0.081 0.000 0.586 112 V N 0.331 119.930 119.914 -0.524 0.000 2.763 112 V HA -0.253 3.636 4.120 -0.680 -0.176 0.306 112 V C -0.447 175.273 176.094 -0.625 0.000 1.059 112 V CA 1.765 63.630 62.300 -0.726 0.000 1.138 112 V CB 0.200 31.367 31.823 -1.094 0.000 0.940 112 V HN 0.096 7.848 8.190 -0.729 0.000 0.489 113 S N 4.013 119.243 115.700 -0.783 0.000 2.720 113 S HA 0.688 4.779 4.470 -0.632 0.000 0.287 113 S C -1.439 172.591 174.600 -0.949 0.000 1.168 113 S CA -0.663 57.137 58.200 -0.668 0.000 0.832 113 S CB 3.166 66.177 63.200 -0.315 0.000 1.166 113 S HN -0.092 7.681 8.310 -0.832 0.037 0.493 114 F N -1.616 118.193 119.950 -0.236 0.000 2.599 114 F HA 0.528 4.997 4.527 -0.096 0.000 0.311 114 F C -0.282 175.528 175.800 0.016 0.000 1.076 114 F CA -1.196 56.761 58.000 -0.072 0.000 0.937 114 F CB 5.180 44.191 39.000 0.018 0.000 1.282 114 F HN 0.798 8.956 8.300 -0.034 0.122 0.460 115 G N -0.699 108.268 108.800 0.279 0.000 2.761 115 G HA2 0.252 4.478 3.960 0.224 0.000 0.296 115 G HA3 0.252 4.271 3.960 0.098 0.000 0.296 115 G C -1.782 173.323 174.900 0.342 0.000 1.416 115 G CA -0.279 44.953 45.100 0.221 0.000 1.105 115 G HN 0.190 8.662 8.290 0.303 0.000 0.565 116 G N 3.228 112.217 108.800 0.315 0.000 2.143 116 G HA2 -0.342 3.946 3.960 0.205 0.000 0.175 116 G HA3 -0.342 4.029 3.960 0.377 -0.185 0.175 116 G C -0.219 174.854 174.900 0.288 0.000 1.004 116 G CA 0.100 45.392 45.100 0.320 0.000 0.671 116 G HN -0.033 8.425 8.290 0.237 -0.026 0.512 117 L N -1.065 120.265 121.223 0.179 0.000 2.042 117 L HA -0.384 3.799 4.340 -0.262 0.000 0.210 117 L C 0.254 177.122 176.870 -0.003 0.000 1.076 117 L CA 1.940 56.754 54.840 -0.044 0.000 0.749 117 L CB -0.095 41.938 42.059 -0.043 0.000 0.893 117 L HN -0.199 8.082 8.230 0.238 0.092 0.432 118 N N -3.405 115.325 118.700 0.051 0.000 2.714 118 N HA -0.355 4.419 4.740 0.057 0.000 0.253 118 N C -1.302 174.224 175.510 0.027 0.000 1.024 118 N CA 0.666 53.744 53.050 0.047 0.000 0.726 118 N CB -0.826 37.694 38.487 0.055 0.000 0.908 118 N HN -0.566 7.997 8.380 0.080 -0.135 0.542 119 L N -0.981 120.258 121.223 0.026 0.000 2.280 119 L HA 0.342 4.693 4.340 0.018 0.000 0.287 119 L C -1.386 175.513 176.870 0.048 0.000 1.023 119 L CA -0.722 54.133 54.840 0.025 0.000 0.819 119 L CB 0.918 42.983 42.059 0.010 0.000 1.212 119 L HN 0.003 8.254 8.230 0.034 0.000 0.420 120 S N 3.386 119.117 115.700 0.051 0.000 2.473 120 S HA 0.346 4.982 4.470 0.074 -0.122 0.307 120 S C -0.576 174.075 174.600 0.085 0.000 1.094 120 S CA -1.357 56.885 58.200 0.069 0.000 1.070 120 S CB 1.735 64.973 63.200 0.063 0.000 1.019 120 S HN 0.288 8.624 8.310 0.042 0.000 0.480 121 S N 3.738 119.512 115.700 0.123 0.000 2.608 121 S HA 0.355 4.967 4.470 0.103 -0.080 0.291 121 S C -0.285 174.428 174.600 0.189 0.000 1.146 121 S CA -1.179 57.109 58.200 0.146 0.000 1.043 121 S CB 2.458 65.764 63.200 0.176 0.000 1.037 121 S HN 0.365 8.641 8.310 0.130 0.113 0.520 122 L N 0.433 121.723 121.223 0.113 0.000 2.468 122 L HA 0.085 4.472 4.340 0.078 0.000 0.254 122 L C 1.566 178.388 176.870 -0.081 0.000 1.171 122 L CA -0.667 54.202 54.840 0.048 0.000 0.809 122 L CB -0.075 41.985 42.059 0.002 0.000 1.155 122 L HN 0.064 8.699 8.230 0.083 -0.355 0.473 123 Q N 1.915 121.552 119.800 -0.272 0.000 2.002 123 Q HA -0.309 3.050 4.340 -1.636 0.000 0.204 123 Q C 0.449 176.182 176.000 -0.445 0.000 0.988 123 Q CA 2.502 57.886 55.803 -0.699 0.000 0.843 123 Q CB -0.333 28.129 28.738 -0.459 0.000 0.908 123 Q HN 0.565 8.743 8.270 -0.154 0.000 0.420 124 A N -6.077 116.609 122.820 -0.223 0.000 2.252 124 A HA -0.103 4.125 4.320 -0.153 0.000 0.207 124 A C 0.742 178.275 177.584 -0.085 0.000 1.194 124 A CA 0.769 52.724 52.037 -0.138 0.000 0.809 124 A CB -0.730 18.215 19.000 -0.092 0.000 0.814 124 A HN -0.098 7.945 8.150 -0.178 0.000 0.482 125 Q N 0.202 119.960 119.800 -0.069 0.000 3.179 125 Q HA -0.056 4.277 4.340 -0.013 0.000 0.328 125 Q C -0.314 175.698 176.000 0.021 0.000 1.336 125 Q CA -1.438 54.361 55.803 -0.007 0.000 0.939 125 Q CB -1.327 27.431 28.738 0.032 0.000 1.658 125 Q HN -0.549 7.562 8.270 -0.104 0.096 0.486 126 G N 0.409 109.207 108.800 -0.003 0.000 2.363 126 G HA2 -0.201 3.806 3.960 0.078 0.000 0.285 126 G HA3 -0.201 3.762 3.960 0.005 0.000 0.285 126 G C -0.624 174.277 174.900 0.001 0.000 1.084 126 G CA 0.731 45.846 45.100 0.024 0.000 1.216 126 G HN 0.070 8.259 8.290 -0.029 0.084 0.429 127 H N 2.864 121.782 119.070 -0.253 0.000 4.668 127 H HA -0.423 2.826 4.556 -2.179 0.000 0.095 127 H C -0.966 174.135 175.328 -0.378 0.000 0.599 127 H CA 3.042 58.600 56.048 -0.817 0.000 1.148 127 H CB -1.164 28.250 29.762 -0.579 0.000 0.502 127 H HN -0.062 8.268 8.280 0.082 0.000 0.702 128 D N -2.628 117.760 120.400 -0.019 0.000 2.249 128 D HA -0.081 4.569 4.640 0.017 0.000 0.205 128 D C 0.467 176.785 176.300 0.030 0.000 0.962 128 D CA 0.454 54.459 54.000 0.008 0.000 0.860 128 D CB 0.399 41.197 40.800 -0.004 0.000 0.955 128 D HN -0.642 7.588 8.370 -0.014 0.131 0.505 129 G N -0.484 108.348 108.800 0.053 0.000 2.272 129 G HA2 -0.139 3.965 3.960 0.068 0.000 0.247 129 G HA3 -0.139 3.898 3.960 0.128 0.000 0.247 129 G C 0.985 175.948 174.900 0.105 0.000 1.272 129 G CA 0.185 45.339 45.100 0.090 0.000 0.921 129 G HN -0.570 7.640 8.290 0.048 0.108 0.495 130 V N 2.597 122.558 119.914 0.080 0.000 2.568 130 V HA -0.438 3.720 4.120 0.062 0.000 0.253 130 V C 1.211 177.364 176.094 0.098 0.000 1.072 130 V CA 2.619 64.960 62.300 0.069 0.000 1.084 130 V CB -0.287 31.558 31.823 0.037 0.000 0.676 130 V HN 0.200 8.430 8.190 0.066 0.000 0.469 131 V N 1.069 121.060 119.914 0.128 0.000 2.307 131 V HA -0.486 3.709 4.120 0.125 0.000 0.245 131 V C 1.376 177.608 176.094 0.230 0.000 1.045 131 V CA 4.844 67.237 62.300 0.154 0.000 1.024 131 V CB -0.317 31.595 31.823 0.148 0.000 0.651 131 V HN -0.413 7.811 8.190 0.127 0.042 0.449 132 H N -0.269 118.871 119.070 0.116 0.000 2.387 132 H HA -0.466 4.226 4.556 0.226 0.000 0.299 132 H C 2.084 177.463 175.328 0.085 0.000 1.090 132 H CA 3.062 59.168 56.048 0.097 0.000 1.332 132 H CB 0.135 29.858 29.762 -0.065 0.000 1.386 132 H HN -0.559 7.892 8.280 0.285 0.000 0.516 133 Q N -1.622 118.306 119.800 0.213 0.000 1.948 133 Q HA -0.394 4.040 4.340 0.157 0.000 0.205 133 Q C 2.667 178.762 176.000 0.159 0.000 0.992 133 Q CA 3.494 59.390 55.803 0.155 0.000 0.849 133 Q CB 0.077 28.872 28.738 0.096 0.000 0.918 133 Q HN -0.179 8.118 8.270 0.184 0.084 0.421 134 V N -3.531 116.444 119.914 0.102 0.000 2.332 134 V HA -0.447 3.663 4.120 -0.017 0.000 0.248 134 V C 2.189 178.281 176.094 -0.003 0.000 1.055 134 V CA 3.543 65.855 62.300 0.019 0.000 1.038 134 V CB -0.532 31.281 31.823 -0.018 0.000 0.651 134 V HN -0.149 8.101 8.190 0.101 0.000 0.450 135 V N 1.339 121.332 119.914 0.132 0.000 2.307 135 V HA -0.423 3.718 4.120 0.035 0.000 0.245 135 V C 1.119 177.275 176.094 0.103 0.000 1.045 135 V CA 3.892 66.290 62.300 0.164 0.000 1.024 135 V CB 0.102 32.145 31.823 0.366 0.000 0.651 135 V HN -0.454 7.843 8.190 0.203 0.015 0.449 136 Y N -1.278 119.104 120.300 0.137 0.000 2.439 136 Y HA -0.022 4.630 4.550 0.170 0.000 0.292 136 Y C 2.129 178.059 175.900 0.049 0.000 1.130 136 Y CA 2.887 61.077 58.100 0.149 0.000 1.254 136 Y CB -0.603 38.001 38.460 0.240 0.000 1.000 136 Y HN -0.282 8.326 8.280 0.546 0.000 0.554 137 G N 0.422 109.291 108.800 0.116 0.000 2.453 137 G HA2 -0.378 3.596 3.960 0.024 0.000 0.215 137 G HA3 -0.378 3.557 3.960 -0.041 0.000 0.215 137 G C 1.239 176.019 174.900 -0.200 0.000 1.201 137 G CA 2.053 47.138 45.100 -0.024 0.000 0.784 137 G HN 0.387 8.674 8.290 0.156 0.097 0.545 138 L N 3.299 124.291 121.223 -0.384 0.000 1.997 138 L HA -0.293 3.652 4.340 -0.658 0.000 0.216 138 L C 3.216 179.789 176.870 -0.495 0.000 1.074 138 L CA 3.040 57.448 54.840 -0.720 0.000 0.763 138 L CB -0.752 40.304 42.059 -1.673 0.000 0.890 138 L HN 0.222 8.245 8.230 -0.344 0.000 0.434 139 M N -3.865 115.570 119.600 -0.275 0.000 2.144 139 M HA -0.438 4.115 4.480 0.122 0.000 0.260 139 M C 0.824 177.089 176.300 -0.058 0.000 1.067 139 M CA 3.764 59.037 55.300 -0.046 0.000 1.095 139 M CB -0.108 32.444 32.600 -0.080 0.000 1.365 139 M HN 0.025 8.149 8.290 -0.277 0.000 0.406 140 S N -4.519 111.105 115.700 -0.127 0.000 2.575 140 S HA 0.081 4.591 4.470 0.067 0.000 0.215 140 S C 0.534 174.967 174.600 -0.277 0.000 0.966 140 S CA 0.500 58.661 58.200 -0.064 0.000 0.911 140 S CB 0.754 63.974 63.200 0.033 0.000 0.780 140 S HN -0.633 7.458 8.310 -0.131 0.140 0.514 141 G N 0.569 108.935 108.800 -0.723 0.000 2.137 141 G HA2 -0.426 2.725 3.960 -1.349 0.000 0.237 141 G HA3 -0.426 3.086 3.960 -0.748 0.000 0.237 141 G C -1.423 173.271 174.900 -0.343 0.000 1.002 141 G CA -0.014 44.564 45.100 -0.871 0.000 0.702 141 G HN -0.318 7.337 8.290 -0.723 0.201 0.515 142 D N -0.185 120.069 120.400 -0.243 0.000 2.217 142 D HA 0.260 4.832 4.640 -0.113 0.000 0.243 142 D C -0.558 175.659 176.300 -0.139 0.000 1.054 142 D CA -1.524 52.395 54.000 -0.136 0.000 0.838 142 D CB 2.380 43.135 40.800 -0.076 0.000 1.162 142 D HN -0.071 7.999 8.370 -0.282 0.131 0.472 143 T N 2.362 116.856 114.554 -0.099 0.000 2.985 143 T HA 0.107 4.377 4.350 -0.132 0.000 0.254 143 T C 1.310 175.980 174.700 -0.049 0.000 1.021 143 T CA -0.554 61.492 62.100 -0.090 0.000 0.957 143 T CB 0.365 69.196 68.868 -0.062 0.000 1.047 143 T HN 0.182 8.372 8.240 -0.084 0.000 0.511 144 G N 1.890 110.674 108.800 -0.027 0.000 2.469 144 G HA2 -0.341 3.955 3.960 0.052 0.000 0.220 144 G HA3 -0.341 3.631 3.960 0.019 0.000 0.220 144 G C 0.329 175.234 174.900 0.008 0.000 1.136 144 G CA 1.987 47.096 45.100 0.015 0.000 0.759 144 G HN -0.526 7.960 8.290 -0.038 -0.220 0.562 145 A N 0.775 123.587 122.820 -0.012 0.000 1.929 145 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 145 A C 1.457 179.018 177.584 -0.039 0.000 1.176 145 A CA 2.684 54.714 52.037 -0.012 0.000 0.628 145 A CB -0.362 18.640 19.000 0.003 0.000 0.816 145 A HN -0.590 7.745 8.150 -0.022 -0.198 0.444 146 L N -0.504 120.674 121.223 -0.075 0.000 2.093 146 L HA -0.327 3.927 4.340 -0.143 0.000 0.208 146 L C 1.502 178.311 176.870 -0.103 0.000 1.085 146 L CA 2.707 57.466 54.840 -0.135 0.000 0.755 146 L CB -0.389 41.546 42.059 -0.207 0.000 0.904 146 L HN -0.608 7.489 8.230 -0.077 0.087 0.435 147 E N -1.446 118.738 120.200 -0.026 0.000 2.118 147 E HA -0.397 3.994 4.350 0.068 0.000 0.195 147 E C 2.560 179.175 176.600 0.024 0.000 0.992 147 E CA 3.678 60.105 56.400 0.045 0.000 0.804 147 E CB -0.629 29.142 29.700 0.119 0.000 0.741 147 E HN 0.276 8.625 8.360 -0.018 0.000 0.458 148 T N -0.743 113.812 114.554 0.003 0.000 2.942 148 T HA -0.188 4.167 4.350 0.009 0.000 0.265 148 T C 0.654 175.333 174.700 -0.034 0.000 1.062 148 T CA 3.228 65.325 62.100 -0.004 0.000 1.139 148 T CB -0.254 68.614 68.868 -0.001 0.000 0.883 148 T HN -0.788 7.333 8.240 -0.002 0.117 0.468 149 A N 0.252 123.035 122.820 -0.062 0.000 1.898 149 A HA -0.147 4.125 4.320 -0.080 0.000 0.216 149 A C 2.785 180.273 177.584 -0.159 0.000 1.181 149 A CA 2.564 54.540 52.037 -0.102 0.000 0.620 149 A CB -0.452 18.479 19.000 -0.115 0.000 0.819 149 A HN -0.514 7.513 8.150 -0.059 0.088 0.442 150 L N -1.390 119.740 121.223 -0.154 0.000 2.012 150 L HA -0.542 3.577 4.340 -0.369 0.000 0.210 150 L C 1.943 178.771 176.870 -0.071 0.000 1.073 150 L CA 3.239 57.987 54.840 -0.152 0.000 0.748 150 L CB -0.822 41.254 42.059 0.028 0.000 0.891 150 L HN 0.622 8.665 8.230 -0.126 0.112 0.431 151 N N -1.974 116.718 118.700 -0.013 0.000 2.417 151 N HA -0.323 4.449 4.740 0.053 0.000 0.187 151 N C 2.448 177.946 175.510 -0.020 0.000 1.027 151 N CA 3.336 56.393 53.050 0.013 0.000 0.891 151 N CB -0.192 38.305 38.487 0.016 0.000 0.956 151 N HN -0.207 8.095 8.380 -0.010 0.072 0.442 152 G N -0.288 108.470 108.800 -0.070 0.000 2.394 152 G HA2 -0.143 3.784 3.960 -0.056 0.000 0.215 152 G HA3 -0.143 3.809 3.960 -0.097 -0.050 0.215 152 G C 0.450 175.296 174.900 -0.090 0.000 1.165 152 G CA 1.728 46.779 45.100 -0.080 0.000 0.784 152 G HN -0.049 7.959 8.290 -0.099 0.223 0.535 153 I N 0.623 121.119 120.570 -0.124 0.000 2.339 153 I HA -0.154 3.972 4.170 -0.074 0.000 0.245 153 I C 1.924 178.087 176.117 0.078 0.000 1.096 153 I CA 2.634 63.907 61.300 -0.045 0.000 1.408 153 I CB 0.222 38.189 38.000 -0.054 0.000 1.092 153 I HN -0.765 7.321 8.210 -0.207 0.000 0.423 154 L N -0.750 120.583 121.223 0.185 0.000 2.079 154 L HA -0.371 4.295 4.340 0.543 0.000 0.210 154 L C 2.165 179.128 176.870 0.156 0.000 1.081 154 L CA 2.356 57.376 54.840 0.299 0.000 0.752 154 L CB -1.853 40.362 42.059 0.260 0.000 0.896 154 L HN 0.026 8.322 8.230 0.110 0.000 0.433 155 D N -1.484 118.943 120.400 0.045 0.000 2.263 155 D HA -0.242 4.423 4.640 0.041 0.000 0.208 155 D C 1.814 178.077 176.300 -0.061 0.000 0.971 155 D CA 2.671 56.675 54.000 0.007 0.000 0.867 155 D CB 0.120 40.915 40.800 -0.009 0.000 0.929 155 D HN -0.384 7.987 8.370 0.029 0.016 0.492 156 D N -0.743 119.540 120.400 -0.195 0.000 2.178 156 D HA -0.198 4.312 4.640 -0.218 0.000 0.202 156 D C 1.010 177.080 176.300 -0.383 0.000 0.974 156 D CA 2.323 56.102 54.000 -0.369 0.000 0.841 156 D CB 0.253 40.683 40.800 -0.616 0.000 0.953 156 D HN -0.319 7.785 8.370 -0.189 0.153 0.478 157 Y N -4.026 116.318 120.300 0.072 0.000 2.449 157 Y HA -0.011 4.579 4.550 0.067 0.000 0.254 157 Y C -0.036 175.906 175.900 0.070 0.000 1.140 157 Y CA -0.659 57.485 58.100 0.074 0.000 1.272 157 Y CB 0.994 39.508 38.460 0.089 0.000 1.114 157 Y HN -0.562 7.472 8.280 -0.174 0.142 0.525 158 G N -2.039 106.855 108.800 0.156 0.000 2.131 158 G HA2 -0.294 3.712 3.960 0.076 0.000 0.201 158 G HA3 -0.294 3.735 3.960 0.115 0.000 0.201 158 G C -0.363 174.610 174.900 0.121 0.000 1.000 158 G CA -0.185 44.984 45.100 0.115 0.000 0.680 158 G HN -0.317 7.856 8.290 0.104 0.180 0.514 159 L N -1.539 119.780 121.223 0.159 0.000 2.585 159 L HA 0.453 4.860 4.340 0.111 0.000 0.260 159 L C -1.237 175.707 176.870 0.124 0.000 1.085 159 L CA -1.383 53.544 54.840 0.145 0.000 0.913 159 L CB 0.743 42.915 42.059 0.189 0.000 1.638 159 L HN 0.205 8.440 8.230 0.200 0.116 0.531 160 S N -4.079 111.697 115.700 0.127 0.000 2.672 160 S HA 0.218 4.851 4.470 0.108 -0.099 0.271 160 S C 0.679 175.365 174.600 0.143 0.000 1.171 160 S CA -0.874 57.392 58.200 0.111 0.000 0.817 160 S CB 2.252 65.493 63.200 0.068 0.000 1.150 160 S HN -0.315 8.076 8.310 0.135 0.000 0.478 161 V N 2.656 122.654 119.914 0.140 0.000 2.568 161 V HA -0.359 3.905 4.120 0.241 0.000 0.253 161 V C -0.382 175.819 176.094 0.178 0.000 1.072 161 V CA 2.643 65.059 62.300 0.193 0.000 1.084 161 V CB 0.434 32.379 31.823 0.203 0.000 0.676 161 V HN 0.681 8.938 8.190 0.111 0.000 0.469 162 N N -3.071 115.691 118.700 0.104 0.000 2.410 162 N HA -0.035 4.751 4.740 0.078 0.000 0.231 162 N C -1.126 174.411 175.510 0.046 0.000 1.172 162 N CA 0.117 53.200 53.050 0.055 0.000 0.849 162 N CB -1.059 37.418 38.487 -0.017 0.000 1.116 162 N HN 0.063 8.452 8.380 0.082 0.040 0.485 163 S N -0.088 115.660 115.700 0.080 0.000 2.608 163 S HA 0.162 4.657 4.470 0.042 0.000 0.291 163 S C -1.064 173.557 174.600 0.036 0.000 1.146 163 S CA -1.333 56.908 58.200 0.068 0.000 1.043 163 S CB 2.234 65.503 63.200 0.115 0.000 1.037 163 S HN -0.693 7.577 8.310 0.123 0.114 0.520 164 T N 8.874 123.433 114.554 0.008 0.000 2.870 164 T HA 0.042 4.413 4.350 -0.123 -0.094 0.300 164 T C 1.400 176.123 174.700 0.037 0.000 0.989 164 T CA 1.489 63.566 62.100 -0.038 0.000 1.139 164 T CB 0.167 69.017 68.868 -0.028 0.000 0.920 164 T HN 0.276 8.527 8.240 0.018 0.000 0.537 165 F N 7.384 127.277 119.950 -0.095 0.000 2.063 165 F HA -0.524 3.908 4.527 -0.158 0.000 0.297 165 F C 1.765 177.466 175.800 -0.165 0.000 1.099 165 F CA 3.655 61.504 58.000 -0.252 0.000 1.220 165 F CB -0.925 37.645 39.000 -0.716 0.000 0.972 165 F HN 0.905 8.944 8.300 -0.246 0.113 0.487 166 D N -2.890 117.546 120.400 0.061 0.000 2.104 166 D HA -0.411 4.334 4.640 0.174 0.000 0.194 166 D C 2.342 178.682 176.300 0.067 0.000 0.994 166 D CA 3.792 57.848 54.000 0.094 0.000 0.830 166 D CB -0.100 40.741 40.800 0.068 0.000 0.959 166 D HN 0.451 8.834 8.370 0.021 0.000 0.452 167 Q N -1.201 118.629 119.800 0.049 0.000 2.123 167 Q HA -0.246 4.106 4.340 0.020 0.000 0.199 167 Q C 2.830 178.849 176.000 0.032 0.000 0.966 167 Q CA 2.761 58.584 55.803 0.033 0.000 0.845 167 Q CB 0.301 29.058 28.738 0.031 0.000 0.907 167 Q HN -0.510 7.706 8.270 0.047 0.082 0.439 168 V N 1.143 121.098 119.914 0.069 0.000 2.261 168 V HA -0.553 3.622 4.120 0.092 0.000 0.246 168 V C 1.637 177.716 176.094 -0.025 0.000 1.047 168 V CA 4.814 67.159 62.300 0.075 0.000 1.015 168 V CB -0.375 31.544 31.823 0.160 0.000 0.642 168 V HN 0.473 8.608 8.190 0.093 0.111 0.446 169 A N -0.576 122.234 122.820 -0.018 0.000 1.883 169 A HA -0.239 3.980 4.320 -0.168 0.000 0.217 169 A C 2.499 180.023 177.584 -0.100 0.000 1.186 169 A CA 2.911 54.901 52.037 -0.078 0.000 0.624 169 A CB -0.704 18.305 19.000 0.014 0.000 0.822 169 A HN 0.108 8.289 8.150 0.052 0.000 0.444 170 A N -2.382 120.402 122.820 -0.060 0.000 1.972 170 A HA -0.251 4.024 4.320 -0.075 0.000 0.219 170 A C 1.754 179.248 177.584 -0.151 0.000 1.169 170 A CA 2.705 54.696 52.037 -0.077 0.000 0.635 170 A CB -0.629 18.351 19.000 -0.033 0.000 0.810 170 A HN 0.184 8.323 8.150 -0.017 0.000 0.446 171 A N -2.330 120.376 122.820 -0.190 0.000 1.968 171 A HA -0.086 4.178 4.320 -0.322 -0.137 0.217 171 A C 1.449 178.520 177.584 -0.856 0.000 1.169 171 A CA 2.725 54.531 52.037 -0.385 0.000 0.638 171 A CB -0.249 18.629 19.000 -0.203 0.000 0.812 171 A HN 0.053 7.911 8.150 -0.119 0.220 0.446 172 T N -4.885 109.369 114.554 -0.499 0.000 3.081 172 T HA -0.151 3.842 4.350 -0.595 0.000 0.255 172 T C 1.569 176.130 174.700 -0.230 0.000 1.113 172 T CA 1.276 63.150 62.100 -0.377 0.000 1.082 172 T CB 0.380 69.141 68.868 -0.179 0.000 0.939 172 T HN -0.195 7.756 8.240 -0.294 0.113 0.506 173 A N 0.325 123.012 122.820 -0.221 0.000 1.898 173 A HA -0.148 4.117 4.320 -0.093 0.000 0.216 173 A C -0.106 177.418 177.584 -0.101 0.000 1.181 173 A CA 2.494 54.455 52.037 -0.127 0.000 0.620 173 A CB 0.260 19.197 19.000 -0.104 0.000 0.819 173 A HN -0.214 7.621 8.150 -0.247 0.167 0.442 174 V N -7.762 112.051 119.914 -0.167 0.000 3.091 174 V HA -0.056 4.069 4.120 0.009 0.000 0.245 174 V C -1.377 174.663 176.094 -0.091 0.000 1.769 174 V CA -0.003 62.256 62.300 -0.068 0.000 0.989 174 V CB 2.514 34.325 31.823 -0.021 0.000 0.961 174 V HN -0.733 7.192 8.190 -0.278 0.099 0.382 175 G N 0.119 108.786 108.800 -0.220 0.000 3.393 175 G HA2 -0.071 3.787 3.960 -0.286 0.000 0.676 175 G HA3 -0.071 3.936 3.960 0.077 0.000 0.676 175 G C -2.135 172.759 174.900 -0.010 0.000 1.224 175 G CA -0.207 44.821 45.100 -0.121 0.000 1.109 175 G HN -0.630 7.518 8.290 -0.238 0.000 0.519 176 V N -0.815 119.096 119.914 -0.006 0.000 2.823 176 V HA 0.419 4.560 4.120 0.035 0.000 0.312 176 V C -0.586 175.548 176.094 0.066 0.000 1.072 176 V CA -1.520 60.795 62.300 0.025 0.000 0.937 176 V CB 2.302 34.124 31.823 -0.001 0.000 1.013 176 V HN -0.006 8.169 8.190 -0.025 0.000 0.430 177 Q N 1.965 121.822 119.800 0.095 0.000 0.481 177 Q HA -0.290 4.167 4.340 0.195 0.000 0.316 177 Q C -0.663 175.473 176.000 0.227 0.000 1.083 177 Q CA 1.065 56.954 55.803 0.144 0.000 0.307 177 Q CB -0.185 28.592 28.738 0.064 0.000 5.524 177 Q HN 0.360 8.680 8.270 0.083 0.000 0.325 178 H N 0.000 119.091 119.070 0.035 0.000 2.539 178 H HA 0.000 4.588 4.556 0.053 0.000 0.296 178 H CA 0.000 56.072 56.048 0.041 0.000 1.023 178 H CB 0.000 29.784 29.762 0.036 0.000 1.292 178 H HN 0.000 8.286 8.280 0.010 0.000 0.496