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 1a1o_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSHSMRYFYT AMSRPGRGEP RFIAVGYVDD TQFVRFDSDA ASPRTEPRPP DATA SEQUENCE WIEQEGPEYW DRNTQIFKTN TQTYRENLRI ALRYYNQSEA GSHIIQRMYG DATA SEQUENCE cDLGPDGRLL RGHDQSAYDG KDYIALNEDL SSWTAADTAA QITQRKWEAA DATA SEQUENCE RVAEQLRAYL EGLcVEWLRR YLENGKETLQ RADPPKTHVT HHPVSDHEAT DATA SEQUENCE LRcWALGFYP AEITLTWQRD GEDQTQDTEL VETRPAGDRT FQKWAAVVVP DATA SEQUENCE SGEEQRYTcH VQHEGLPKPL TLRWEP 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 3.959 3.960 -0.001 0.000 0.244 1 G C 0.000 174.859 174.900 -0.069 0.000 0.946 1 G CA 0.000 45.089 45.100 -0.018 0.000 0.502 2 S N -0.875 114.751 115.700 -0.123 0.000 2.393 2 S HA -0.151 4.318 4.470 -0.001 0.000 0.234 2 S C 0.890 175.183 174.600 -0.512 0.000 1.064 2 S CA 1.841 59.862 58.200 -0.298 0.000 1.088 2 S CB -0.368 62.670 63.200 -0.270 0.000 0.939 2 S HN 0.594 8.904 8.310 -0.000 0.000 0.448 3 H N -1.245 117.837 119.070 0.021 0.000 2.961 3 H HA 0.576 5.131 4.556 -0.002 0.000 0.371 3 H C -0.719 174.644 175.328 0.058 0.000 1.190 3 H CA -0.298 55.773 56.048 0.038 0.000 1.138 3 H CB 1.830 31.610 29.762 0.030 0.000 1.816 3 H HN 0.356 8.636 8.280 -0.000 0.000 0.551 4 S N 1.150 116.985 115.700 0.224 0.000 2.579 4 S HA 0.584 5.053 4.470 -0.001 0.000 0.272 4 S C -0.745 173.975 174.600 0.199 0.000 1.141 4 S CA -0.993 57.314 58.200 0.177 0.000 0.843 4 S CB 2.751 66.031 63.200 0.132 0.000 1.122 4 S HN 0.563 8.873 8.310 -0.000 0.000 0.468 5 M N 1.695 121.411 119.600 0.193 0.000 2.321 5 M HA 0.727 5.206 4.480 -0.001 0.000 0.315 5 M C -1.472 174.913 176.300 0.142 0.000 1.052 5 M CA -0.415 55.023 55.300 0.229 0.000 0.936 5 M CB 1.662 34.436 32.600 0.290 0.000 1.639 5 M HN 0.829 9.119 8.290 -0.000 0.000 0.433 6 R N 2.836 123.376 120.500 0.067 0.000 2.621 6 R HA 0.518 4.857 4.340 -0.001 0.000 0.284 6 R C -2.343 173.708 176.300 -0.416 0.000 0.998 6 R CA -0.371 55.608 56.100 -0.203 0.000 0.895 6 R CB 1.490 31.653 30.300 -0.229 0.000 1.195 6 R HN 0.632 8.902 8.270 -0.000 0.000 0.450 7 Y N 3.148 123.082 120.300 -0.609 0.000 2.352 7 Y HA 0.511 5.060 4.550 -0.001 0.000 0.339 7 Y C -0.613 174.847 175.900 -0.733 0.000 0.992 7 Y CA -0.460 57.349 58.100 -0.484 0.000 1.100 7 Y CB 1.401 39.522 38.460 -0.564 0.000 1.192 7 Y HN 0.415 8.695 8.280 -0.000 0.000 0.458 8 F N 3.513 123.506 119.950 0.072 0.000 2.402 8 F HA 0.418 4.945 4.527 -0.001 0.000 0.355 8 F C -1.004 174.923 175.800 0.213 0.000 1.123 8 F CA -1.138 56.894 58.000 0.053 0.000 1.021 8 F CB 0.703 39.723 39.000 0.033 0.000 1.160 8 F HN 0.292 8.592 8.300 -0.000 0.000 0.451 9 Y N 1.204 121.545 120.300 0.069 0.000 2.360 9 Y HA 0.591 5.140 4.550 -0.002 0.000 0.337 9 Y C 0.174 175.959 175.900 -0.190 0.000 1.039 9 Y CA -1.900 56.103 58.100 -0.162 0.000 1.109 9 Y CB 1.957 40.368 38.460 -0.083 0.000 1.201 9 Y HN 0.390 8.670 8.280 -0.000 0.000 0.458 10 T N 2.525 116.957 114.554 -0.203 0.000 2.881 10 T HA 0.746 5.095 4.350 -0.001 0.000 0.291 10 T C -0.791 173.818 174.700 -0.152 0.000 0.990 10 T CA -0.702 61.329 62.100 -0.116 0.000 0.976 10 T CB 1.305 70.127 68.868 -0.078 0.000 0.970 10 T HN 0.675 8.915 8.240 -0.000 0.000 0.438 11 A N 4.188 127.018 122.820 0.017 0.000 2.319 11 A HA 0.857 5.176 4.320 -0.001 0.000 0.310 11 A C -0.631 177.035 177.584 0.136 0.000 1.152 11 A CA -0.846 51.288 52.037 0.161 0.000 0.783 11 A CB 0.519 19.708 19.000 0.315 0.000 1.184 11 A HN 0.809 8.959 8.150 -0.000 0.000 0.474 12 M N 2.455 122.121 119.600 0.110 0.000 2.259 12 M HA 0.409 4.888 4.480 -0.001 0.000 0.304 12 M C 0.218 176.568 176.300 0.084 0.000 1.019 12 M CA -0.363 54.985 55.300 0.081 0.000 0.922 12 M CB 2.231 34.850 32.600 0.031 0.000 1.600 12 M HN 0.660 8.950 8.290 -0.000 0.000 0.433 13 S N 2.380 118.134 115.700 0.090 0.000 2.617 13 S HA 0.780 5.249 4.470 -0.001 0.000 0.269 13 S C -0.195 174.424 174.600 0.031 0.000 1.292 13 S CA -0.942 57.305 58.200 0.079 0.000 1.010 13 S CB 0.767 64.035 63.200 0.114 0.000 0.944 13 S HN 0.863 9.173 8.310 -0.000 0.000 0.536 14 R N -0.519 119.997 120.500 0.026 0.000 2.928 14 R HA 0.349 4.688 4.340 -0.001 0.000 0.248 14 R C -3.515 172.791 176.300 0.010 0.000 1.796 14 R CA -1.512 54.591 56.100 0.004 0.000 1.477 14 R CB -0.135 30.167 30.300 0.003 0.000 1.484 14 R HN 0.349 8.619 8.270 -0.000 0.000 0.623 15 P HA 0.042 4.462 4.420 -0.000 0.000 0.262 15 P C 0.963 178.268 177.300 0.008 0.000 1.182 15 P CA 1.507 64.616 63.100 0.015 0.000 0.761 15 P CB 0.876 32.587 31.700 0.017 0.000 0.795 16 G N 3.040 111.846 108.800 0.010 0.000 2.199 16 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.254 16 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.254 16 G C 0.549 175.452 174.900 0.005 0.000 0.982 16 G CA -0.237 44.866 45.100 0.006 0.000 0.632 16 G HN 0.586 8.876 8.290 -0.000 0.000 0.529 17 R N 0.171 120.674 120.500 0.006 0.000 2.727 17 R HA 0.514 4.853 4.340 -0.001 0.000 0.410 17 R C 0.958 177.264 176.300 0.009 0.000 1.101 17 R CA 0.289 56.391 56.100 0.004 0.000 1.045 17 R CB 0.662 30.961 30.300 -0.001 0.000 1.380 17 R HN 1.506 9.776 8.270 -0.000 0.000 0.587 18 G N 1.000 109.808 108.800 0.013 0.000 2.685 18 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.387 18 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.387 18 G C -0.745 174.172 174.900 0.027 0.000 1.324 18 G CA -0.940 44.170 45.100 0.018 0.000 0.878 18 G HN 0.127 8.417 8.290 -0.000 0.000 0.527 19 E N 0.642 120.862 120.200 0.033 0.000 2.392 19 E HA 0.385 4.734 4.350 -0.001 0.000 0.259 19 E C -2.007 174.628 176.600 0.059 0.000 1.108 19 E CA -1.244 55.183 56.400 0.045 0.000 0.916 19 E CB 0.176 29.904 29.700 0.046 0.000 0.989 19 E HN 0.250 8.610 8.360 -0.000 0.000 0.432 20 P HA 0.012 4.432 4.420 -0.000 0.000 0.265 20 P C -0.165 177.208 177.300 0.122 0.000 1.193 20 P CA 0.349 63.509 63.100 0.100 0.000 0.765 20 P CB 0.427 32.203 31.700 0.126 0.000 0.823 21 R N 3.297 123.862 120.500 0.107 0.000 2.490 21 R HA 0.400 4.739 4.340 -0.001 0.000 0.280 21 R C -1.119 175.292 176.300 0.186 0.000 1.077 21 R CA -0.262 55.905 56.100 0.112 0.000 1.065 21 R CB 0.123 30.452 30.300 0.048 0.000 1.003 21 R HN 0.364 8.634 8.270 -0.000 0.000 0.470 22 F N 6.378 126.360 119.950 0.053 0.000 2.507 22 F HA 0.480 5.006 4.527 -0.001 0.000 0.328 22 F C -1.260 174.572 175.800 0.054 0.000 1.136 22 F CA -0.937 57.094 58.000 0.052 0.000 0.930 22 F CB 1.043 40.097 39.000 0.091 0.000 1.166 22 F HN 0.249 8.549 8.300 -0.000 0.000 0.436 23 I N 5.388 125.556 120.570 -0.670 0.000 2.509 23 I HA 0.687 4.856 4.170 -0.001 0.000 0.293 23 I C -0.573 175.041 176.117 -0.838 0.000 1.020 23 I CA -0.827 60.161 61.300 -0.521 0.000 1.088 23 I CB 1.347 39.179 38.000 -0.280 0.000 1.267 23 I HN 0.745 8.955 8.210 -0.000 0.000 0.430 24 A N 6.167 128.634 122.820 -0.589 0.000 2.393 24 A HA 0.839 5.158 4.320 -0.001 0.000 0.306 24 A C -0.758 176.707 177.584 -0.198 0.000 1.050 24 A CA -0.542 51.213 52.037 -0.470 0.000 0.724 24 A CB 1.937 20.402 19.000 -0.891 0.000 1.248 24 A HN 0.607 8.757 8.150 -0.000 0.000 0.424 25 V N -0.367 119.588 119.914 0.068 0.000 2.876 25 V HA 1.000 5.119 4.120 -0.001 0.000 0.312 25 V C 0.061 176.267 176.094 0.186 0.000 1.085 25 V CA -0.115 62.233 62.300 0.081 0.000 0.945 25 V CB 1.518 33.410 31.823 0.115 0.000 1.017 25 V HN 1.519 9.709 8.190 -0.000 0.000 0.428 26 G N 1.906 110.615 108.800 -0.152 0.000 2.495 26 G HA2 0.726 4.685 3.960 -0.001 0.000 0.318 26 G HA3 0.726 4.685 3.960 -0.001 0.000 0.318 26 G C -2.019 172.740 174.900 -0.234 0.000 1.257 26 G CA -0.648 44.165 45.100 -0.477 0.000 0.962 26 G HN 0.675 8.965 8.290 -0.000 0.000 0.483 27 Y N -0.019 120.375 120.300 0.157 0.000 2.545 27 Y HA 0.578 5.127 4.550 -0.002 0.000 0.348 27 Y C -0.238 175.959 175.900 0.496 0.000 1.002 27 Y CA -0.909 57.452 58.100 0.436 0.000 1.039 27 Y CB 2.940 41.617 38.460 0.362 0.000 1.271 27 Y HN 0.368 8.648 8.280 -0.000 0.000 0.467 28 V N 3.929 124.201 119.914 0.597 0.000 2.376 28 V HA 0.318 4.437 4.120 -0.001 0.000 0.287 28 V C -0.451 175.887 176.094 0.408 0.000 1.015 28 V CA -0.747 61.774 62.300 0.368 0.000 0.834 28 V CB 0.771 32.693 31.823 0.165 0.000 1.001 28 V HN 0.982 9.171 8.190 -0.000 0.000 0.428 29 D N 3.342 123.953 120.400 0.353 0.000 3.845 29 D HA -0.223 4.416 4.640 -0.001 0.000 0.144 29 D C 0.473 177.007 176.300 0.390 0.000 0.889 29 D CA 1.680 55.869 54.000 0.315 0.000 1.096 29 D CB -0.317 40.679 40.800 0.327 0.000 0.515 29 D HN 0.661 9.031 8.370 -0.000 0.000 0.525 30 D N 0.741 121.402 120.400 0.435 0.000 2.427 30 D HA 0.166 4.805 4.640 -0.001 0.000 0.224 30 D C -0.322 176.415 176.300 0.728 0.000 1.157 30 D CA 0.421 54.744 54.000 0.540 0.000 0.828 30 D CB 0.215 41.237 40.800 0.370 0.000 0.974 30 D HN 0.048 8.418 8.370 -0.000 0.000 0.498 31 T N 0.909 115.849 114.554 0.642 0.000 2.791 31 T HA 0.167 4.516 4.350 -0.001 0.000 0.288 31 T C 0.008 174.812 174.700 0.172 0.000 0.999 31 T CA -0.548 61.806 62.100 0.422 0.000 0.952 31 T CB 2.399 71.529 68.868 0.437 0.000 0.938 31 T HN -0.043 8.197 8.240 -0.000 0.000 0.444 32 Q N 2.545 122.190 119.800 -0.258 0.000 2.332 32 Q HA 0.277 4.616 4.340 -0.001 0.000 0.263 32 Q C -0.147 175.752 176.000 -0.168 0.000 0.979 32 Q CA -0.080 55.330 55.803 -0.655 0.000 0.885 32 Q CB 0.342 28.656 28.738 -0.708 0.000 1.218 32 Q HN 0.832 9.102 8.270 -0.000 0.000 0.405 33 F N 2.304 122.076 119.950 -0.296 0.000 2.834 33 F HA 0.309 4.835 4.527 -0.002 0.000 0.332 33 F C -0.543 175.156 175.800 -0.169 0.000 1.056 33 F CA -0.432 57.368 58.000 -0.332 0.000 1.178 33 F CB 0.328 39.036 39.000 -0.488 0.000 1.037 33 F HN 0.176 8.476 8.300 -0.000 0.000 0.580 34 V N -0.648 118.922 119.914 -0.573 0.000 3.159 34 V HA 0.726 4.845 4.120 -0.001 0.000 0.308 34 V C -1.002 174.994 176.094 -0.163 0.000 1.190 34 V CA -1.129 61.032 62.300 -0.231 0.000 1.037 34 V CB 1.950 33.711 31.823 -0.104 0.000 1.060 34 V HN 0.475 8.665 8.190 -0.000 0.000 0.437 35 R N 1.382 121.865 120.500 -0.029 0.000 2.643 35 R HA 0.702 5.041 4.340 -0.001 0.000 0.269 35 R C -2.740 173.563 176.300 0.005 0.000 1.037 35 R CA -0.467 55.592 56.100 -0.067 0.000 0.894 35 R CB 2.620 32.864 30.300 -0.093 0.000 1.238 35 R HN 0.931 9.201 8.270 -0.000 0.000 0.459 36 F N 2.695 122.487 119.950 -0.263 0.000 2.596 36 F HA 0.412 4.938 4.527 -0.001 0.000 0.311 36 F C -1.797 173.880 175.800 -0.204 0.000 1.116 36 F CA -0.552 57.311 58.000 -0.228 0.000 0.957 36 F CB 2.050 40.791 39.000 -0.432 0.000 1.250 36 F HN 0.543 8.843 8.300 -0.000 0.000 0.444 37 D N 2.682 122.594 120.400 -0.814 0.000 2.736 37 D HA 0.176 4.815 4.640 -0.001 0.000 0.243 37 D C 0.318 176.278 176.300 -0.568 0.000 1.304 37 D CA 0.032 53.757 54.000 -0.457 0.000 0.934 37 D CB 2.029 42.657 40.800 -0.286 0.000 1.382 37 D HN 0.509 8.879 8.370 -0.000 0.000 0.571 38 S N 2.262 117.837 115.700 -0.209 0.000 2.500 38 S HA -0.132 4.338 4.470 -0.001 0.000 0.239 38 S C 0.954 175.513 174.600 -0.067 0.000 0.989 38 S CA 0.688 58.861 58.200 -0.044 0.000 0.951 38 S CB 0.137 63.480 63.200 0.239 0.000 0.759 38 S HN 0.348 8.658 8.310 -0.000 0.000 0.523 39 D N 1.740 122.082 120.400 -0.096 0.000 2.350 39 D HA 0.408 5.047 4.640 -0.001 0.000 0.213 39 D C 0.659 176.901 176.300 -0.096 0.000 1.031 39 D CA 0.315 54.273 54.000 -0.070 0.000 0.861 39 D CB 0.226 40.992 40.800 -0.057 0.000 0.926 39 D HN 0.584 8.954 8.370 -0.000 0.000 0.520 40 A N 0.584 123.312 122.820 -0.152 0.000 2.440 40 A HA 0.554 4.873 4.320 -0.001 0.000 0.251 40 A C 0.463 177.985 177.584 -0.103 0.000 1.089 40 A CA -0.256 51.696 52.037 -0.142 0.000 0.779 40 A CB 0.306 19.184 19.000 -0.203 0.000 1.022 40 A HN 0.166 8.316 8.150 -0.000 0.000 0.492 41 A N 2.684 125.459 122.820 -0.075 0.000 2.515 41 A HA 0.481 4.800 4.320 -0.001 0.000 0.263 41 A C 0.913 178.466 177.584 -0.051 0.000 1.096 41 A CA 0.922 52.929 52.037 -0.051 0.000 0.769 41 A CB -0.778 18.197 19.000 -0.042 0.000 1.040 41 A HN 2.454 10.604 8.150 -0.000 0.000 0.505 42 S N 2.531 118.210 115.700 -0.036 0.000 3.590 42 S HA -0.080 4.389 4.470 -0.001 0.000 0.527 42 S C -1.995 172.579 174.600 -0.044 0.000 0.745 42 S CA -0.072 58.116 58.200 -0.021 0.000 1.392 42 S CB -0.847 62.344 63.200 -0.016 0.000 0.906 42 S HN 0.828 9.138 8.310 -0.000 0.000 0.760 43 P HA 0.380 4.800 4.420 -0.000 0.000 0.276 43 P C -0.346 176.962 177.300 0.014 0.000 1.253 43 P CA -0.151 62.856 63.100 -0.155 0.000 0.766 43 P CB 0.513 32.092 31.700 -0.202 0.000 0.845 44 R N 1.136 121.632 120.500 -0.008 0.000 2.808 44 R HA 0.493 4.832 4.340 -0.001 0.000 0.272 44 R C -0.097 176.366 176.300 0.272 0.000 0.995 44 R CA -0.757 55.461 56.100 0.197 0.000 0.917 44 R CB 1.321 31.682 30.300 0.101 0.000 1.217 44 R HN 0.387 8.657 8.270 -0.000 0.000 0.471 45 T N 0.128 114.985 114.554 0.505 0.000 2.780 45 T HA 0.274 4.623 4.350 -0.001 0.000 0.294 45 T C -0.299 174.618 174.700 0.361 0.000 0.949 45 T CA -0.270 62.169 62.100 0.565 0.000 1.074 45 T CB 0.471 69.802 68.868 0.772 0.000 0.910 45 T HN 0.457 8.697 8.240 -0.000 0.000 0.501 46 E N 5.222 125.532 120.200 0.184 0.000 2.212 46 E HA 0.467 4.816 4.350 -0.001 0.000 0.270 46 E C -2.430 174.175 176.600 0.009 0.000 0.956 46 E CA -2.489 53.891 56.400 -0.034 0.000 0.825 46 E CB 1.679 31.325 29.700 -0.091 0.000 1.167 46 E HN 0.546 8.906 8.360 -0.000 0.000 0.400 47 P HA 0.194 4.614 4.420 -0.000 0.000 0.284 47 P C -0.314 176.922 177.300 -0.107 0.000 1.253 47 P CA -0.361 62.713 63.100 -0.043 0.000 0.800 47 P CB 1.290 32.880 31.700 -0.184 0.000 0.961 48 R N 1.207 121.633 120.500 -0.122 0.000 2.476 48 R HA 0.311 4.651 4.340 -0.001 0.000 0.276 48 R C -1.898 174.280 176.300 -0.203 0.000 0.941 48 R CA -0.398 55.606 56.100 -0.161 0.000 1.088 48 R CB 0.393 30.595 30.300 -0.164 0.000 1.216 48 R HN 0.594 8.864 8.270 -0.000 0.000 0.533 49 P HA 0.295 4.715 4.420 -0.000 0.000 0.349 49 P C -2.636 174.379 177.300 -0.474 0.000 1.533 49 P CA -1.389 61.454 63.100 -0.428 0.000 1.373 49 P CB 3.424 34.707 31.700 -0.695 0.000 2.166 50 P HA -0.152 4.268 4.420 -0.000 0.000 0.216 50 P C 1.517 178.782 177.300 -0.058 0.000 1.153 50 P CA 1.805 64.834 63.100 -0.119 0.000 0.858 50 P CB -0.361 31.334 31.700 -0.008 0.000 0.789 51 W N -0.347 120.971 121.300 0.029 0.000 2.538 51 W HA -0.022 4.637 4.660 -0.002 0.000 0.254 51 W C 1.406 177.950 176.519 0.041 0.000 1.249 51 W CA -0.162 57.199 57.345 0.027 0.000 1.253 51 W CB -1.398 28.063 29.460 0.001 0.000 1.130 51 W HN -0.104 8.076 8.180 -0.000 0.000 0.618 52 I N 1.569 122.050 120.570 -0.148 0.000 3.427 52 I HA -0.040 4.129 4.170 -0.001 0.000 0.288 52 I C 2.178 178.429 176.117 0.224 0.000 1.249 52 I CA 0.967 62.262 61.300 -0.009 0.000 1.421 52 I CB -0.281 37.612 38.000 -0.178 0.000 1.086 52 I HN -0.146 8.064 8.210 -0.000 0.000 0.448 53 E N 0.240 120.539 120.200 0.164 0.000 2.265 53 E HA -0.278 4.071 4.350 -0.001 0.000 0.196 53 E C 1.814 178.552 176.600 0.230 0.000 0.996 53 E CA 1.095 57.618 56.400 0.204 0.000 0.832 53 E CB -0.141 29.585 29.700 0.044 0.000 0.756 53 E HN 0.700 9.060 8.360 -0.000 0.000 0.491 54 Q N 0.958 120.870 119.800 0.187 0.000 2.488 54 Q HA -0.040 4.299 4.340 -0.001 0.000 0.211 54 Q C 0.100 176.204 176.000 0.173 0.000 0.967 54 Q CA 0.518 56.419 55.803 0.163 0.000 0.926 54 Q CB 0.121 28.944 28.738 0.140 0.000 0.992 54 Q HN 0.023 8.293 8.270 -0.000 0.000 0.506 55 E N 1.720 122.028 120.200 0.180 0.000 2.373 55 E HA 0.180 4.530 4.350 -0.001 0.000 0.267 55 E C 0.233 176.992 176.600 0.265 0.000 1.032 55 E CA 0.437 56.871 56.400 0.056 0.000 0.889 55 E CB 0.877 30.262 29.700 -0.524 0.000 0.984 55 E HN 0.385 8.745 8.360 -0.000 0.000 0.425 56 G N 2.869 111.793 108.800 0.207 0.000 2.651 56 G HA2 0.116 4.075 3.960 -0.001 0.000 0.260 56 G HA3 0.116 4.075 3.960 -0.001 0.000 0.260 56 G C -1.565 173.564 174.900 0.381 0.000 1.216 56 G CA -0.931 44.330 45.100 0.267 0.000 0.913 56 G HN 0.295 8.585 8.290 -0.000 0.000 0.535 57 P HA -0.150 4.270 4.420 -0.000 0.000 0.216 57 P C 1.863 179.342 177.300 0.299 0.000 1.150 57 P CA 1.587 64.901 63.100 0.356 0.000 0.843 57 P CB 0.184 32.013 31.700 0.215 0.000 0.787 58 E N -0.749 119.577 120.200 0.210 0.000 2.204 58 E HA -0.231 4.119 4.350 -0.001 0.000 0.194 58 E C 1.953 178.618 176.600 0.109 0.000 0.989 58 E CA 1.177 57.664 56.400 0.146 0.000 0.824 58 E CB -1.376 28.395 29.700 0.119 0.000 0.756 58 E HN 0.341 8.701 8.360 -0.000 0.000 0.477 59 Y N 0.418 120.686 120.300 -0.054 0.000 2.200 59 Y HA -0.143 4.406 4.550 -0.002 0.000 0.290 59 Y C 1.833 177.519 175.900 -0.358 0.000 1.137 59 Y CA 1.915 59.861 58.100 -0.257 0.000 1.163 59 Y CB -0.508 37.716 38.460 -0.394 0.000 0.988 59 Y HN -0.041 8.239 8.280 -0.000 0.000 0.518 60 W N 0.770 122.225 121.300 0.258 0.000 2.388 60 W HA -0.130 4.530 4.660 -0.000 0.000 0.294 60 W C 2.033 178.578 176.519 0.044 0.000 1.212 60 W CA 1.144 58.582 57.345 0.155 0.000 1.271 60 W CB -0.436 29.139 29.460 0.192 0.000 1.126 60 W HN 0.056 8.236 8.180 -0.000 0.000 0.535 61 D N -0.202 120.320 120.400 0.204 0.000 2.097 61 D HA -0.153 4.486 4.640 -0.001 0.000 0.197 61 D C 2.054 178.345 176.300 -0.016 0.000 0.984 61 D CA 1.219 55.283 54.000 0.107 0.000 0.826 61 D CB -0.406 40.452 40.800 0.096 0.000 0.973 61 D HN -0.099 8.271 8.370 -0.000 0.000 0.460 62 R N 0.902 121.343 120.500 -0.098 0.000 2.096 62 R HA 0.010 4.349 4.340 -0.001 0.000 0.235 62 R C 1.754 177.852 176.300 -0.338 0.000 1.127 62 R CA 1.145 57.125 56.100 -0.200 0.000 0.968 62 R CB -0.414 29.757 30.300 -0.216 0.000 0.861 62 R HN 0.167 8.437 8.270 -0.000 0.000 0.440 63 N N -0.979 117.469 118.700 -0.420 0.000 2.084 63 N HA -0.125 4.614 4.740 -0.001 0.000 0.190 63 N C 1.331 176.589 175.510 -0.420 0.000 1.030 63 N CA 2.039 54.755 53.050 -0.556 0.000 0.849 63 N CB -0.121 38.100 38.487 -0.444 0.000 1.012 63 N HN 0.273 8.653 8.380 -0.000 0.000 0.423 64 T N 1.987 116.501 114.554 -0.066 0.000 2.720 64 T HA -0.208 4.141 4.350 -0.001 0.000 0.268 64 T C 2.002 176.649 174.700 -0.088 0.000 1.037 64 T CA 1.552 63.696 62.100 0.074 0.000 1.144 64 T CB -0.211 68.793 68.868 0.227 0.000 0.864 64 T HN 0.556 8.796 8.240 -0.000 0.000 0.444 65 Q N 0.550 120.270 119.800 -0.133 0.000 2.167 65 Q HA 0.029 4.368 4.340 -0.001 0.000 0.202 65 Q C 2.191 178.046 176.000 -0.242 0.000 0.970 65 Q CA 1.230 56.947 55.803 -0.142 0.000 0.855 65 Q CB -0.632 28.041 28.738 -0.108 0.000 0.911 65 Q HN 0.444 8.714 8.270 -0.000 0.000 0.438 66 I N 0.066 120.407 120.570 -0.381 0.000 2.202 66 I HA -0.207 3.963 4.170 -0.001 0.000 0.242 66 I C 1.651 177.486 176.117 -0.469 0.000 1.091 66 I CA 1.058 62.077 61.300 -0.468 0.000 1.368 66 I CB -0.188 37.418 38.000 -0.656 0.000 1.058 66 I HN 0.128 8.338 8.210 -0.000 0.000 0.410 67 F N 1.102 120.756 119.950 -0.494 0.000 2.259 67 F HA -0.098 4.429 4.527 -0.001 0.000 0.298 67 F C 2.408 177.722 175.800 -0.810 0.000 1.088 67 F CA 1.007 58.529 58.000 -0.798 0.000 1.358 67 F CB -0.820 37.352 39.000 -1.381 0.000 1.040 67 F HN -0.082 8.218 8.300 -0.000 0.000 0.505 68 K N -0.345 119.839 120.400 -0.360 0.000 2.057 68 K HA -0.099 4.220 4.320 -0.001 0.000 0.206 68 K C 2.000 178.496 176.600 -0.174 0.000 1.050 68 K CA 1.770 57.977 56.287 -0.133 0.000 0.935 68 K CB -0.437 32.057 32.500 -0.010 0.000 0.715 68 K HN 0.155 8.405 8.250 -0.000 0.000 0.439 69 T N 0.976 115.409 114.554 -0.203 0.000 2.746 69 T HA -0.115 4.234 4.350 -0.001 0.000 0.267 69 T C 1.473 176.025 174.700 -0.247 0.000 1.039 69 T CA 1.565 63.553 62.100 -0.187 0.000 1.142 69 T CB -0.334 68.430 68.868 -0.173 0.000 0.866 69 T HN 0.292 8.532 8.240 -0.000 0.000 0.444 70 N N 0.349 118.835 118.700 -0.356 0.000 2.223 70 N HA -0.086 4.653 4.740 -0.001 0.000 0.185 70 N C 1.942 177.051 175.510 -0.668 0.000 1.016 70 N CA 1.426 54.193 53.050 -0.472 0.000 0.863 70 N CB -0.193 37.915 38.487 -0.630 0.000 0.983 70 N HN 0.285 8.665 8.380 -0.000 0.000 0.429 71 T N 0.558 114.674 114.554 -0.729 0.000 2.684 71 T HA -0.152 4.197 4.350 -0.001 0.000 0.267 71 T C 1.743 176.352 174.700 -0.151 0.000 1.036 71 T CA 0.993 62.843 62.100 -0.417 0.000 1.148 71 T CB -0.205 68.612 68.868 -0.085 0.000 0.863 71 T HN 0.198 8.438 8.240 -0.000 0.000 0.436 72 Q N 0.720 120.439 119.800 -0.135 0.000 2.030 72 Q HA -0.085 4.254 4.340 -0.001 0.000 0.204 72 Q C 2.709 178.649 176.000 -0.099 0.000 0.986 72 Q CA 1.649 57.402 55.803 -0.084 0.000 0.843 72 Q CB -1.145 27.545 28.738 -0.081 0.000 0.904 72 Q HN 0.518 8.788 8.270 -0.000 0.000 0.420 73 T N 0.419 114.878 114.554 -0.158 0.000 2.684 73 T HA -0.179 4.170 4.350 -0.001 0.000 0.267 73 T C 1.670 176.207 174.700 -0.272 0.000 1.036 73 T CA 1.500 63.466 62.100 -0.224 0.000 1.148 73 T CB -0.450 68.240 68.868 -0.296 0.000 0.863 73 T HN 0.289 8.529 8.240 -0.000 0.000 0.436 74 Y N 1.117 121.370 120.300 -0.078 0.000 2.439 74 Y HA 0.071 4.620 4.550 -0.002 0.000 0.292 74 Y C 2.573 178.495 175.900 0.036 0.000 1.130 74 Y CA 0.479 58.594 58.100 0.025 0.000 1.254 74 Y CB -0.178 38.360 38.460 0.130 0.000 1.000 74 Y HN 0.077 8.357 8.280 -0.000 0.000 0.554 75 R N -0.211 120.346 120.500 0.095 0.000 2.090 75 R HA -0.124 4.215 4.340 -0.001 0.000 0.228 75 R C 1.902 178.211 176.300 0.015 0.000 1.110 75 R CA 1.361 57.504 56.100 0.072 0.000 0.973 75 R CB -0.110 30.219 30.300 0.049 0.000 0.869 75 R HN 0.368 8.638 8.270 -0.000 0.000 0.440 76 E N 0.319 120.497 120.200 -0.037 0.000 2.047 76 E HA -0.125 4.224 4.350 -0.001 0.000 0.191 76 E C 1.658 178.198 176.600 -0.100 0.000 0.987 76 E CA 0.989 57.347 56.400 -0.071 0.000 0.799 76 E CB 0.072 29.716 29.700 -0.092 0.000 0.752 76 E HN 0.224 8.584 8.360 -0.000 0.000 0.449 77 N N 0.447 119.076 118.700 -0.118 0.000 2.149 77 N HA -0.150 4.589 4.740 -0.001 0.000 0.188 77 N C 1.761 177.195 175.510 -0.125 0.000 1.019 77 N CA 0.854 53.815 53.050 -0.149 0.000 0.857 77 N CB -0.181 38.212 38.487 -0.157 0.000 0.997 77 N HN 0.156 8.536 8.380 -0.000 0.000 0.426 78 L N 0.467 121.686 121.223 -0.007 0.000 2.093 78 L HA -0.061 4.278 4.340 -0.001 0.000 0.208 78 L C 2.429 179.282 176.870 -0.029 0.000 1.085 78 L CA 0.942 55.807 54.840 0.042 0.000 0.755 78 L CB -0.144 42.001 42.059 0.143 0.000 0.904 78 L HN 0.110 8.340 8.230 -0.000 0.000 0.435 79 R N -0.104 120.365 120.500 -0.052 0.000 2.075 79 R HA -0.077 4.262 4.340 -0.001 0.000 0.232 79 R C 2.288 178.492 176.300 -0.161 0.000 1.126 79 R CA 1.231 57.289 56.100 -0.069 0.000 0.963 79 R CB -0.274 29.996 30.300 -0.050 0.000 0.858 79 R HN 0.313 8.583 8.270 -0.000 0.000 0.435 80 I N 0.532 120.947 120.570 -0.258 0.000 2.226 80 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 80 I C 2.556 178.256 176.117 -0.695 0.000 1.100 80 I CA 1.216 62.233 61.300 -0.473 0.000 1.374 80 I CB -0.402 37.285 38.000 -0.522 0.000 1.057 80 I HN 0.174 8.384 8.210 -0.000 0.000 0.413 81 A N 0.835 123.309 122.820 -0.577 0.000 1.978 81 A HA -0.164 4.155 4.320 -0.001 0.000 0.220 81 A C 2.317 179.755 177.584 -0.242 0.000 1.170 81 A CA 1.376 53.072 52.037 -0.569 0.000 0.636 81 A CB -0.777 17.704 19.000 -0.864 0.000 0.810 81 A HN 0.397 8.547 8.150 -0.000 0.000 0.448 82 L N -1.155 119.973 121.223 -0.159 0.000 2.046 82 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 82 L C 2.915 179.789 176.870 0.008 0.000 1.077 82 L CA 1.475 56.298 54.840 -0.028 0.000 0.747 82 L CB -0.467 41.589 42.059 -0.006 0.000 0.896 82 L HN 0.389 8.619 8.230 -0.000 0.000 0.432 83 R N -1.072 119.395 120.500 -0.054 0.000 2.081 83 R HA -0.169 4.170 4.340 -0.001 0.000 0.235 83 R C 2.288 178.645 176.300 0.095 0.000 1.131 83 R CA 1.265 57.370 56.100 0.009 0.000 0.960 83 R CB -0.432 29.859 30.300 -0.014 0.000 0.856 83 R HN 0.269 8.539 8.270 -0.000 0.000 0.436 84 Y N -0.670 119.531 120.300 -0.164 0.000 2.333 84 Y HA -0.166 4.383 4.550 -0.002 0.000 0.290 84 Y C 1.322 176.952 175.900 -0.450 0.000 1.144 84 Y CA 0.586 58.482 58.100 -0.339 0.000 1.228 84 Y CB -0.413 37.752 38.460 -0.493 0.000 0.985 84 Y HN 0.102 8.382 8.280 -0.000 0.000 0.542 85 Y N -0.315 120.053 120.300 0.113 0.000 2.507 85 Y HA 0.192 4.741 4.550 -0.001 0.000 0.254 85 Y C 0.295 176.232 175.900 0.062 0.000 1.171 85 Y CA -0.756 57.396 58.100 0.087 0.000 1.238 85 Y CB -0.261 38.265 38.460 0.110 0.000 1.148 85 Y HN 0.036 8.316 8.280 -0.000 0.000 0.525 86 N N 1.514 120.302 118.700 0.147 0.000 2.738 86 N HA -0.222 4.517 4.740 -0.001 0.000 0.249 86 N C -0.707 174.870 175.510 0.112 0.000 1.047 86 N CA 0.759 53.870 53.050 0.102 0.000 0.707 86 N CB -1.314 37.224 38.487 0.085 0.000 0.937 86 N HN 0.547 8.927 8.380 -0.000 0.000 0.545 87 Q N -0.067 119.802 119.800 0.116 0.000 2.257 87 Q HA 0.538 4.877 4.340 -0.001 0.000 0.262 87 Q C 0.360 176.421 176.000 0.102 0.000 0.997 87 Q CA -0.737 55.135 55.803 0.115 0.000 0.873 87 Q CB 1.376 30.173 28.738 0.098 0.000 1.312 87 Q HN 0.389 8.659 8.270 -0.000 0.000 0.450 88 S N -0.046 115.723 115.700 0.116 0.000 2.632 88 S HA 0.153 4.623 4.470 -0.001 0.000 0.271 88 S C 0.294 174.964 174.600 0.116 0.000 1.260 88 S CA -0.728 57.529 58.200 0.095 0.000 1.010 88 S CB 0.872 64.118 63.200 0.076 0.000 0.965 88 S HN 0.638 8.948 8.310 -0.000 0.000 0.534 89 E N 0.497 120.748 120.200 0.085 0.000 2.485 89 E HA 0.101 4.450 4.350 -0.001 0.000 0.194 89 E C 1.319 177.964 176.600 0.074 0.000 1.098 89 E CA 0.367 56.818 56.400 0.085 0.000 0.878 89 E CB -0.221 29.513 29.700 0.057 0.000 0.939 89 E HN 0.758 9.118 8.360 -0.000 0.000 0.503 90 A N 1.039 123.901 122.820 0.070 0.000 2.220 90 A HA 0.238 4.557 4.320 -0.001 0.000 0.211 90 A C 1.225 178.822 177.584 0.022 0.000 1.176 90 A CA 0.322 52.384 52.037 0.042 0.000 0.834 90 A CB 0.338 19.358 19.000 0.034 0.000 0.868 90 A HN 0.231 8.381 8.150 -0.000 0.000 0.488 91 G N -0.870 107.953 108.800 0.038 0.000 2.462 91 G HA2 0.441 4.400 3.960 -0.001 0.000 0.319 91 G HA3 0.441 4.400 3.960 -0.001 0.000 0.319 91 G C -0.356 174.424 174.900 -0.201 0.000 1.171 91 G CA -0.003 45.047 45.100 -0.084 0.000 0.920 91 G HN 0.172 8.462 8.290 -0.000 0.000 0.499 92 S N -0.297 115.191 115.700 -0.353 0.000 2.462 92 S HA 0.569 5.038 4.470 -0.001 0.000 0.294 92 S C -0.660 173.574 174.600 -0.610 0.000 1.144 92 S CA -0.751 57.265 58.200 -0.307 0.000 1.088 92 S CB 0.198 63.295 63.200 -0.172 0.000 1.009 92 S HN 0.556 8.866 8.310 -0.000 0.000 0.484 93 H N 3.054 122.118 119.070 -0.009 0.000 2.894 93 H HA 0.581 5.136 4.556 -0.001 0.000 0.368 93 H C -0.711 174.605 175.328 -0.020 0.000 1.181 93 H CA -0.634 55.376 56.048 -0.062 0.000 1.146 93 H CB 1.552 31.321 29.762 0.011 0.000 1.839 93 H HN 0.524 8.804 8.280 -0.000 0.000 0.557 94 I N 2.263 122.860 120.570 0.045 0.000 2.582 94 I HA 0.334 4.503 4.170 -0.001 0.000 0.292 94 I C -0.461 175.739 176.117 0.138 0.000 1.066 94 I CA -0.539 60.803 61.300 0.070 0.000 1.053 94 I CB 2.472 40.474 38.000 0.004 0.000 1.241 94 I HN 0.219 8.429 8.210 -0.000 0.000 0.421 95 I N 5.066 125.763 120.570 0.211 0.000 2.465 95 I HA 0.380 4.550 4.170 -0.001 0.000 0.291 95 I C -0.714 175.512 176.117 0.181 0.000 1.014 95 I CA -0.453 61.007 61.300 0.267 0.000 1.093 95 I CB 2.026 40.244 38.000 0.363 0.000 1.267 95 I HN 0.527 8.737 8.210 -0.000 0.000 0.431 96 Q N 5.483 125.394 119.800 0.184 0.000 2.365 96 Q HA 0.633 4.972 4.340 -0.001 0.000 0.269 96 Q C -0.909 175.216 176.000 0.208 0.000 1.061 96 Q CA -0.882 55.015 55.803 0.157 0.000 0.816 96 Q CB 3.426 32.249 28.738 0.142 0.000 1.325 96 Q HN 0.465 8.736 8.270 -0.000 0.000 0.446 97 R N 2.208 122.822 120.500 0.191 0.000 2.744 97 R HA 0.695 5.034 4.340 -0.001 0.000 0.279 97 R C -1.740 174.605 176.300 0.075 0.000 0.977 97 R CA -0.636 55.583 56.100 0.198 0.000 0.906 97 R CB 1.725 32.180 30.300 0.258 0.000 1.197 97 R HN 0.794 9.064 8.270 -0.000 0.000 0.463 98 M N 4.641 124.273 119.600 0.054 0.000 2.183 98 M HA 0.368 4.847 4.480 -0.001 0.000 0.277 98 M C -2.164 174.117 176.300 -0.032 0.000 0.995 98 M CA -0.637 54.561 55.300 -0.171 0.000 0.969 98 M CB 1.614 34.156 32.600 -0.096 0.000 1.659 98 M HN 0.701 8.991 8.290 -0.000 0.000 0.462 99 Y N 2.302 122.490 120.300 -0.188 0.000 2.588 99 Y HA 1.022 5.572 4.550 -0.001 0.000 0.343 99 Y C -0.572 175.367 175.900 0.065 0.000 1.065 99 Y CA -0.196 57.900 58.100 -0.005 0.000 1.038 99 Y CB 1.495 39.970 38.460 0.024 0.000 1.297 99 Y HN 1.008 9.288 8.280 -0.000 0.000 0.467 100 G N -0.457 108.567 108.800 0.372 0.000 2.324 100 G HA2 0.432 4.392 3.960 -0.001 0.000 0.293 100 G HA3 0.432 4.392 3.960 -0.001 0.000 0.293 100 G C -1.679 173.427 174.900 0.342 0.000 1.297 100 G CA -0.496 44.798 45.100 0.323 0.000 0.853 100 G HN 1.570 9.860 8.290 -0.000 0.000 0.535 101 c N -0.714 118.045 118.600 0.264 0.000 2.634 101 c HA 0.892 5.461 4.570 -0.001 0.000 0.313 101 c C -1.116 173.087 174.090 0.189 0.000 1.198 101 c CA -1.268 55.188 56.329 0.212 0.000 1.605 101 c CB 1.642 44.224 42.510 0.120 0.000 2.196 101 c HN 0.675 8.905 8.230 -0.000 0.000 0.486 102 D N 1.563 122.065 120.400 0.171 0.000 2.278 102 D HA 0.621 5.260 4.640 -0.001 0.000 0.245 102 D C -0.801 175.553 176.300 0.090 0.000 1.052 102 D CA -0.071 54.013 54.000 0.139 0.000 0.834 102 D CB 1.856 42.749 40.800 0.154 0.000 1.194 102 D HN 0.464 8.834 8.370 -0.000 0.000 0.481 103 L N 1.868 123.144 121.223 0.088 0.000 2.296 103 L HA 0.536 4.875 4.340 -0.001 0.000 0.286 103 L C 0.872 177.769 176.870 0.045 0.000 1.023 103 L CA -0.291 54.589 54.840 0.067 0.000 0.812 103 L CB 1.546 43.661 42.059 0.094 0.000 1.223 103 L HN 0.419 8.649 8.230 -0.000 0.000 0.421 104 G N 3.880 112.694 108.800 0.023 0.000 2.580 104 G HA2 0.376 4.335 3.960 -0.001 0.000 0.278 104 G HA3 0.376 4.335 3.960 -0.001 0.000 0.278 104 G C -1.714 173.189 174.900 0.004 0.000 1.212 104 G CA -0.708 44.395 45.100 0.004 0.000 0.939 104 G HN 0.605 8.895 8.290 -0.000 0.000 0.513 105 P HA -0.177 4.243 4.420 -0.000 0.000 0.217 105 P C 0.918 178.220 177.300 0.003 0.000 1.148 105 P CA 1.741 64.835 63.100 -0.009 0.000 0.834 105 P CB 0.097 31.785 31.700 -0.019 0.000 0.783 106 D N -1.403 118.997 120.400 -0.001 0.000 2.349 106 D HA 0.022 4.661 4.640 -0.001 0.000 0.224 106 D C 1.397 177.697 176.300 -0.001 0.000 1.029 106 D CA 0.815 54.814 54.000 -0.002 0.000 0.879 106 D CB -0.790 40.005 40.800 -0.007 0.000 0.906 106 D HN 0.302 8.672 8.370 -0.000 0.000 0.528 107 G N 0.462 109.266 108.800 0.008 0.000 2.141 107 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.242 107 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.242 107 G C 0.219 175.116 174.900 -0.006 0.000 0.982 107 G CA -0.051 45.052 45.100 0.005 0.000 0.662 107 G HN 0.441 8.731 8.290 -0.000 0.000 0.527 108 R N -1.015 119.482 120.500 -0.004 0.000 2.873 108 R HA 0.612 4.951 4.340 -0.001 0.000 0.264 108 R C 0.073 176.371 176.300 -0.003 0.000 1.026 108 R CA -1.193 54.901 56.100 -0.010 0.000 1.002 108 R CB 1.340 31.631 30.300 -0.015 0.000 1.174 108 R HN 0.253 8.523 8.270 -0.000 0.000 0.488 109 L N 2.719 123.936 121.223 -0.009 0.000 2.660 109 L HA -0.090 4.249 4.340 -0.001 0.000 0.272 109 L C 0.711 177.578 176.870 -0.004 0.000 1.194 109 L CA 0.611 55.449 54.840 -0.004 0.000 0.945 109 L CB 0.245 42.295 42.059 -0.015 0.000 1.212 109 L HN 0.651 8.881 8.230 -0.000 0.000 0.490 110 L N 5.427 126.654 121.223 0.007 0.000 2.145 110 L HA 0.288 4.627 4.340 -0.001 0.000 0.201 110 L C 0.772 177.632 176.870 -0.015 0.000 1.075 110 L CA 1.093 55.933 54.840 0.001 0.000 0.773 110 L CB -0.104 41.965 42.059 0.015 0.000 0.936 110 L HN 0.919 9.149 8.230 -0.000 0.000 0.451 111 R N -1.839 118.651 120.500 -0.017 0.000 2.728 111 R HA 0.554 4.894 4.340 -0.001 0.000 0.259 111 R C -0.912 175.322 176.300 -0.110 0.000 1.057 111 R CA -0.303 55.745 56.100 -0.086 0.000 0.908 111 R CB 0.075 30.297 30.300 -0.129 0.000 1.259 111 R HN -0.003 8.267 8.270 -0.000 0.000 0.472 112 G N 1.057 109.751 108.800 -0.178 0.000 2.471 112 G HA2 0.672 4.631 3.960 -0.001 0.000 0.332 112 G HA3 0.672 4.631 3.960 -0.001 0.000 0.332 112 G C -1.139 173.583 174.900 -0.296 0.000 1.176 112 G CA -0.535 44.505 45.100 -0.099 0.000 0.949 112 G HN 0.582 8.872 8.290 -0.000 0.000 0.488 113 H N -0.362 118.773 119.070 0.109 0.000 2.996 113 H HA 0.466 5.022 4.556 -0.001 0.000 0.368 113 H C -1.779 173.655 175.328 0.177 0.000 1.185 113 H CA -0.521 55.597 56.048 0.116 0.000 1.160 113 H CB 3.063 32.885 29.762 0.100 0.000 1.820 113 H HN 0.558 8.838 8.280 -0.000 0.000 0.547 114 D N 1.929 122.519 120.400 0.315 0.000 2.301 114 D HA 0.125 4.764 4.640 -0.001 0.000 0.203 114 D C -1.223 175.285 176.300 0.347 0.000 1.300 114 D CA -0.253 53.938 54.000 0.319 0.000 0.899 114 D CB 1.071 42.026 40.800 0.258 0.000 1.597 114 D HN 0.498 8.868 8.370 -0.000 0.000 0.538 115 Q N 1.046 121.039 119.800 0.321 0.000 2.397 115 Q HA 0.795 5.134 4.340 -0.001 0.000 0.275 115 Q C -1.050 175.149 176.000 0.331 0.000 1.090 115 Q CA -0.942 55.056 55.803 0.325 0.000 0.809 115 Q CB 2.446 31.336 28.738 0.253 0.000 1.362 115 Q HN 0.267 8.537 8.270 -0.000 0.000 0.431 116 S N 0.282 116.208 115.700 0.376 0.000 2.570 116 S HA 0.905 5.375 4.470 -0.001 0.000 0.286 116 S C -1.459 173.364 174.600 0.371 0.000 1.099 116 S CA -0.668 57.763 58.200 0.386 0.000 0.913 116 S CB 1.857 65.344 63.200 0.478 0.000 1.085 116 S HN 0.661 8.971 8.310 -0.000 0.000 0.480 117 A N 1.534 124.544 122.820 0.317 0.000 2.498 117 A HA 0.807 5.126 4.320 -0.001 0.000 0.298 117 A C -2.152 175.604 177.584 0.286 0.000 1.075 117 A CA -0.524 51.692 52.037 0.298 0.000 0.714 117 A CB 1.288 20.416 19.000 0.213 0.000 1.299 117 A HN 0.757 8.907 8.150 -0.000 0.000 0.407 118 Y N 0.966 121.328 120.300 0.103 0.000 2.338 118 Y HA 0.452 5.002 4.550 -0.001 0.000 0.333 118 Y C -0.291 175.615 175.900 0.009 0.000 0.968 118 Y CA -0.911 57.193 58.100 0.006 0.000 1.123 118 Y CB 1.258 39.666 38.460 -0.087 0.000 1.165 118 Y HN 0.881 9.161 8.280 -0.000 0.000 0.452 119 D N 4.461 124.609 120.400 -0.419 0.000 2.751 119 D HA -0.187 4.452 4.640 -0.001 0.000 0.233 119 D C 1.174 177.394 176.300 -0.133 0.000 1.149 119 D CA 2.071 55.865 54.000 -0.343 0.000 0.682 119 D CB -1.149 39.343 40.800 -0.513 0.000 1.068 119 D HN 1.287 9.657 8.370 -0.000 0.000 0.429 120 G N -0.998 107.777 108.800 -0.042 0.000 2.159 120 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.256 120 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.256 120 G C 0.284 175.209 174.900 0.041 0.000 0.977 120 G CA 0.684 45.788 45.100 0.007 0.000 0.652 120 G HN 0.476 8.766 8.290 -0.000 0.000 0.531 121 K N 0.642 121.082 120.400 0.066 0.000 2.259 121 K HA 0.375 4.694 4.320 -0.001 0.000 0.249 121 K C -0.607 176.101 176.600 0.181 0.000 0.942 121 K CA -1.027 55.323 56.287 0.105 0.000 0.816 121 K CB 1.271 33.826 32.500 0.091 0.000 1.155 121 K HN 0.082 8.332 8.250 -0.000 0.000 0.428 122 D N 1.355 121.858 120.400 0.171 0.000 2.472 122 D HA -0.094 4.546 4.640 -0.001 0.000 0.237 122 D C 0.125 176.596 176.300 0.284 0.000 1.141 122 D CA 0.810 54.936 54.000 0.209 0.000 0.875 122 D CB 0.608 41.502 40.800 0.157 0.000 1.192 122 D HN 0.520 8.890 8.370 -0.000 0.000 0.450 123 Y N 1.932 122.336 120.300 0.173 0.000 2.886 123 Y HA 0.370 4.919 4.550 -0.002 0.000 0.244 123 Y C 0.038 176.011 175.900 0.120 0.000 1.017 123 Y CA 0.002 58.203 58.100 0.169 0.000 1.389 123 Y CB 0.670 39.250 38.460 0.200 0.000 1.477 123 Y HN 0.406 8.686 8.280 -0.000 0.000 0.466 124 I N 0.772 121.459 120.570 0.195 0.000 2.827 124 I HA 0.684 4.853 4.170 -0.001 0.000 0.298 124 I C -1.817 174.513 176.117 0.354 0.000 1.235 124 I CA -0.963 60.415 61.300 0.131 0.000 1.021 124 I CB 2.081 40.043 38.000 -0.064 0.000 1.259 124 I HN 0.188 8.398 8.210 -0.000 0.000 0.427 125 A N 6.105 129.171 122.820 0.409 0.000 2.486 125 A HA 0.684 5.003 4.320 -0.001 0.000 0.300 125 A C -1.785 176.099 177.584 0.499 0.000 1.048 125 A CA -0.531 51.765 52.037 0.431 0.000 0.696 125 A CB 1.639 20.803 19.000 0.273 0.000 1.278 125 A HN 0.646 8.796 8.150 -0.000 0.000 0.405 126 L N 2.029 123.461 121.223 0.348 0.000 2.367 126 L HA 0.337 4.676 4.340 -0.001 0.000 0.275 126 L C -0.008 176.808 176.870 -0.090 0.000 1.129 126 L CA -0.095 54.672 54.840 -0.121 0.000 0.839 126 L CB 0.153 42.077 42.059 -0.226 0.000 1.133 126 L HN 0.701 8.931 8.230 -0.000 0.000 0.453 127 N N 2.973 121.567 118.700 -0.176 0.000 2.424 127 N HA 0.003 4.742 4.740 -0.001 0.000 0.257 127 N C 0.717 176.153 175.510 -0.122 0.000 1.250 127 N CA -0.117 52.875 53.050 -0.097 0.000 0.946 127 N CB 0.527 38.964 38.487 -0.084 0.000 1.175 127 N HN 0.722 9.102 8.380 -0.000 0.000 0.477 128 E N 0.182 120.328 120.200 -0.090 0.000 2.267 128 E HA -0.234 4.115 4.350 -0.001 0.000 0.197 128 E C 0.136 176.673 176.600 -0.106 0.000 0.998 128 E CA 1.285 57.620 56.400 -0.107 0.000 0.830 128 E CB 0.078 29.728 29.700 -0.083 0.000 0.751 128 E HN 0.574 8.934 8.360 -0.000 0.000 0.491 129 D N -0.215 120.123 120.400 -0.103 0.000 2.371 129 D HA -0.145 4.494 4.640 -0.001 0.000 0.221 129 D C 0.965 177.193 176.300 -0.120 0.000 0.986 129 D CA 0.331 54.274 54.000 -0.096 0.000 0.899 129 D CB -0.329 40.423 40.800 -0.081 0.000 0.902 129 D HN 0.328 8.698 8.370 -0.000 0.000 0.530 130 L N -0.733 120.392 121.223 -0.164 0.000 3.843 130 L HA -0.259 4.081 4.340 -0.001 0.000 0.411 130 L C 0.459 177.198 176.870 -0.219 0.000 1.205 130 L CA 0.580 55.304 54.840 -0.194 0.000 0.945 130 L CB -2.385 39.602 42.059 -0.120 0.000 1.929 130 L HN 0.123 8.353 8.230 -0.000 0.000 0.934 131 S N -2.473 113.078 115.700 -0.247 0.000 2.692 131 S HA 0.166 4.635 4.470 -0.001 0.000 0.269 131 S C 0.513 174.953 174.600 -0.267 0.000 1.080 131 S CA 0.363 58.440 58.200 -0.205 0.000 1.058 131 S CB 1.060 64.196 63.200 -0.107 0.000 0.982 131 S HN 0.623 8.933 8.310 -0.000 0.000 0.534 132 S N -0.039 115.461 115.700 -0.334 0.000 2.709 132 S HA 0.830 5.299 4.470 -0.001 0.000 0.302 132 S C -1.654 172.682 174.600 -0.440 0.000 1.127 132 S CA -0.880 57.150 58.200 -0.283 0.000 0.905 132 S CB 1.186 64.342 63.200 -0.073 0.000 1.151 132 S HN 0.378 8.688 8.310 -0.000 0.000 0.510 133 W N -0.236 121.105 121.300 0.069 0.000 2.799 133 W HA 0.639 5.298 4.660 -0.002 0.000 0.349 133 W C -0.695 175.849 176.519 0.042 0.000 1.100 133 W CA -0.645 56.748 57.345 0.081 0.000 1.174 133 W CB 1.869 31.397 29.460 0.113 0.000 1.427 133 W HN 0.577 8.757 8.180 -0.000 0.000 0.547 134 T N 2.053 116.794 114.554 0.313 0.000 2.815 134 T HA 0.650 4.999 4.350 -0.001 0.000 0.289 134 T C -0.486 174.289 174.700 0.125 0.000 1.000 134 T CA -0.480 61.721 62.100 0.167 0.000 0.958 134 T CB 0.847 69.791 68.868 0.126 0.000 0.944 134 T HN 0.509 8.749 8.240 -0.000 0.000 0.442 135 A N 2.033 124.870 122.820 0.027 0.000 2.305 135 A HA 0.776 5.095 4.320 -0.001 0.000 0.322 135 A C 1.268 178.804 177.584 -0.081 0.000 1.187 135 A CA -0.586 51.388 52.037 -0.105 0.000 0.825 135 A CB 0.623 19.512 19.000 -0.185 0.000 1.164 135 A HN 0.953 9.103 8.150 -0.000 0.000 0.498 136 A N 1.915 124.676 122.820 -0.099 0.000 2.067 136 A HA 0.337 4.656 4.320 -0.001 0.000 0.217 136 A C 0.601 178.175 177.584 -0.017 0.000 1.156 136 A CA 1.634 53.660 52.037 -0.019 0.000 0.683 136 A CB -0.354 18.671 19.000 0.043 0.000 0.808 136 A HN 0.940 9.090 8.150 -0.000 0.000 0.455 137 D N -4.623 115.734 120.400 -0.071 0.000 2.825 137 D HA 0.249 4.888 4.640 -0.001 0.000 0.327 137 D C 0.652 176.878 176.300 -0.122 0.000 1.277 137 D CA 0.302 54.279 54.000 -0.040 0.000 0.950 137 D CB -0.181 40.660 40.800 0.069 0.000 1.438 137 D HN -0.049 8.321 8.370 -0.000 0.000 0.526 138 T N -3.303 111.182 114.554 -0.114 0.000 2.995 138 T HA 0.098 4.447 4.350 -0.001 0.000 0.269 138 T C 1.751 176.275 174.700 -0.293 0.000 1.091 138 T CA 1.128 63.123 62.100 -0.176 0.000 1.128 138 T CB -0.509 68.277 68.868 -0.137 0.000 0.891 138 T HN 0.542 8.782 8.240 -0.000 0.000 0.492 139 A N 1.851 124.474 122.820 -0.329 0.000 1.872 139 A HA 0.502 4.822 4.320 -0.001 0.000 0.214 139 A C 2.812 180.113 177.584 -0.472 0.000 1.187 139 A CA 1.360 53.095 52.037 -0.504 0.000 0.614 139 A CB -1.366 17.243 19.000 -0.651 0.000 0.826 139 A HN 0.686 8.836 8.150 -0.000 0.000 0.442 140 A N -0.684 121.824 122.820 -0.520 0.000 2.019 140 A HA -0.206 4.113 4.320 -0.001 0.000 0.219 140 A C 2.053 179.305 177.584 -0.553 0.000 1.164 140 A CA 1.623 53.137 52.037 -0.872 0.000 0.644 140 A CB -0.566 17.777 19.000 -1.096 0.000 0.805 140 A HN 0.658 8.808 8.150 -0.000 0.000 0.449 141 Q N -0.652 118.910 119.800 -0.398 0.000 2.181 141 Q HA -0.131 4.208 4.340 -0.001 0.000 0.205 141 Q C 1.871 177.674 176.000 -0.329 0.000 0.980 141 Q CA 1.452 57.073 55.803 -0.302 0.000 0.862 141 Q CB -0.309 28.297 28.738 -0.219 0.000 0.905 141 Q HN 0.788 9.058 8.270 -0.000 0.000 0.429 142 I N -0.229 120.094 120.570 -0.412 0.000 2.233 142 I HA -0.233 3.936 4.170 -0.001 0.000 0.243 142 I C 2.142 178.034 176.117 -0.375 0.000 1.093 142 I CA 1.100 62.157 61.300 -0.405 0.000 1.380 142 I CB -0.318 37.315 38.000 -0.611 0.000 1.067 142 I HN 0.148 8.358 8.210 -0.000 0.000 0.413 143 T N 0.046 114.341 114.554 -0.432 0.000 2.746 143 T HA -0.283 4.066 4.350 -0.001 0.000 0.267 143 T C 1.836 176.027 174.700 -0.849 0.000 1.039 143 T CA 1.569 63.293 62.100 -0.627 0.000 1.142 143 T CB -0.310 68.144 68.868 -0.690 0.000 0.866 143 T HN 0.411 8.651 8.240 -0.000 0.000 0.444 144 Q N 1.227 120.627 119.800 -0.666 0.000 2.061 144 Q HA -0.229 4.110 4.340 -0.001 0.000 0.204 144 Q C 2.455 178.297 176.000 -0.263 0.000 0.984 144 Q CA 1.692 57.188 55.803 -0.510 0.000 0.846 144 Q CB -0.119 28.444 28.738 -0.291 0.000 0.902 144 Q HN 0.654 8.924 8.270 -0.000 0.000 0.421 145 R N -0.231 120.148 120.500 -0.201 0.000 2.148 145 R HA -0.075 4.264 4.340 -0.001 0.000 0.227 145 R C 2.017 178.284 176.300 -0.056 0.000 1.103 145 R CA 1.366 57.410 56.100 -0.093 0.000 0.983 145 R CB -0.204 30.041 30.300 -0.092 0.000 0.874 145 R HN 0.103 8.373 8.270 -0.000 0.000 0.451 146 K N 0.014 120.348 120.400 -0.109 0.000 2.062 146 K HA -0.088 4.231 4.320 -0.001 0.000 0.205 146 K C 1.674 178.364 176.600 0.151 0.000 1.051 146 K CA 1.314 57.595 56.287 -0.011 0.000 0.941 146 K CB -0.056 32.413 32.500 -0.051 0.000 0.719 146 K HN 0.242 8.492 8.250 -0.000 0.000 0.440 147 W N 1.736 122.942 121.300 -0.156 0.000 2.467 147 W HA -0.033 4.627 4.660 -0.001 0.000 0.275 147 W C 1.666 178.195 176.519 0.017 0.000 1.239 147 W CA 0.471 57.723 57.345 -0.155 0.000 1.266 147 W CB -0.536 28.632 29.460 -0.487 0.000 1.112 147 W HN 0.213 8.393 8.180 -0.000 0.000 0.576 148 E N -0.096 120.252 120.200 0.247 0.000 2.072 148 E HA -0.102 4.247 4.350 -0.001 0.000 0.190 148 E C 2.358 179.054 176.600 0.159 0.000 0.982 148 E CA 1.343 57.890 56.400 0.244 0.000 0.803 148 E CB -0.337 29.473 29.700 0.183 0.000 0.755 148 E HN 0.085 8.445 8.360 -0.000 0.000 0.453 149 A N 1.117 124.006 122.820 0.114 0.000 1.972 149 A HA -0.050 4.269 4.320 -0.001 0.000 0.219 149 A C 2.203 179.834 177.584 0.078 0.000 1.169 149 A CA 1.573 53.657 52.037 0.079 0.000 0.635 149 A CB -0.311 18.721 19.000 0.054 0.000 0.810 149 A HN 0.264 8.414 8.150 -0.000 0.000 0.446 150 A N -1.604 121.277 122.820 0.101 0.000 2.275 150 A HA 0.302 4.621 4.320 -0.001 0.000 0.212 150 A C 0.789 178.413 177.584 0.066 0.000 1.201 150 A CA -0.013 52.067 52.037 0.072 0.000 0.843 150 A CB -0.095 18.946 19.000 0.069 0.000 0.873 150 A HN 0.346 8.496 8.150 -0.000 0.000 0.492 151 R N -1.118 119.445 120.500 0.105 0.000 3.205 151 R HA -0.144 4.195 4.340 -0.001 0.000 0.249 151 R C 0.628 176.984 176.300 0.094 0.000 0.937 151 R CA 0.763 56.926 56.100 0.106 0.000 0.641 151 R CB -2.756 27.582 30.300 0.063 0.000 1.114 151 R HN 0.347 8.617 8.270 -0.000 0.000 0.451 152 V N -0.155 119.844 119.914 0.142 0.000 2.488 152 V HA -0.189 3.930 4.120 -0.001 0.000 0.246 152 V C 2.568 178.761 176.094 0.165 0.000 1.046 152 V CA 2.129 64.469 62.300 0.068 0.000 1.053 152 V CB -0.327 31.395 31.823 -0.169 0.000 0.679 152 V HN 0.653 8.843 8.190 -0.000 0.000 0.458 153 A N -0.019 122.985 122.820 0.307 0.000 1.978 153 A HA -0.263 4.056 4.320 -0.001 0.000 0.220 153 A C 2.100 179.675 177.584 -0.014 0.000 1.170 153 A CA 2.065 54.126 52.037 0.041 0.000 0.636 153 A CB -0.440 18.460 19.000 -0.168 0.000 0.810 153 A HN 0.559 8.709 8.150 -0.000 0.000 0.448 154 E N -0.537 119.677 120.200 0.024 0.000 2.106 154 E HA -0.158 4.191 4.350 -0.001 0.000 0.192 154 E C 2.242 178.847 176.600 0.008 0.000 0.984 154 E CA 1.226 57.631 56.400 0.008 0.000 0.806 154 E CB -0.163 29.548 29.700 0.019 0.000 0.750 154 E HN 0.705 9.065 8.360 -0.000 0.000 0.458 155 Q N -0.181 119.622 119.800 0.006 0.000 2.079 155 Q HA -0.093 4.246 4.340 -0.001 0.000 0.200 155 Q C 2.193 178.201 176.000 0.014 0.000 0.974 155 Q CA 0.921 56.721 55.803 -0.005 0.000 0.840 155 Q CB 0.001 28.711 28.738 -0.047 0.000 0.898 155 Q HN 0.328 8.598 8.270 -0.000 0.000 0.430 156 L N -0.069 121.154 121.223 -0.001 0.000 2.056 156 L HA -0.177 4.162 4.340 -0.001 0.000 0.207 156 L C 2.680 179.597 176.870 0.079 0.000 1.078 156 L CA 1.063 55.918 54.840 0.026 0.000 0.749 156 L CB -0.484 41.569 42.059 -0.011 0.000 0.901 156 L HN 0.199 8.429 8.230 -0.000 0.000 0.433 157 R N 0.560 121.071 120.500 0.018 0.000 2.081 157 R HA -0.189 4.150 4.340 -0.001 0.000 0.235 157 R C 2.344 178.663 176.300 0.032 0.000 1.131 157 R CA 1.531 57.635 56.100 0.007 0.000 0.960 157 R CB -0.236 30.047 30.300 -0.027 0.000 0.856 157 R HN 0.330 8.600 8.270 -0.000 0.000 0.436 158 A N 0.110 122.957 122.820 0.046 0.000 1.902 158 A HA -0.231 4.089 4.320 -0.001 0.000 0.217 158 A C 2.016 179.651 177.584 0.085 0.000 1.181 158 A CA 1.444 53.512 52.037 0.051 0.000 0.623 158 A CB -0.882 18.149 19.000 0.051 0.000 0.818 158 A HN 0.643 8.793 8.150 -0.000 0.000 0.443 159 Y N 0.459 120.765 120.300 0.009 0.000 2.133 159 Y HA -0.132 4.416 4.550 -0.002 0.000 0.287 159 Y C 1.945 177.889 175.900 0.073 0.000 1.134 159 Y CA 1.909 60.032 58.100 0.038 0.000 1.133 159 Y CB -0.433 38.034 38.460 0.011 0.000 0.987 159 Y HN 0.192 8.472 8.280 -0.000 0.000 0.502 160 L N 0.171 121.395 121.223 0.002 0.000 2.083 160 L HA -0.206 4.134 4.340 -0.001 0.000 0.209 160 L C 2.265 179.080 176.870 -0.091 0.000 1.083 160 L CA 1.887 56.689 54.840 -0.064 0.000 0.752 160 L CB -0.491 41.622 42.059 0.091 0.000 0.899 160 L HN 0.305 8.535 8.230 -0.000 0.000 0.433 161 E N -0.598 119.569 120.200 -0.054 0.000 2.230 161 E HA -0.024 4.325 4.350 -0.001 0.000 0.192 161 E C 1.794 178.359 176.600 -0.059 0.000 0.987 161 E CA 0.643 57.016 56.400 -0.046 0.000 0.841 161 E CB 0.079 29.762 29.700 -0.028 0.000 0.783 161 E HN 0.546 8.906 8.360 -0.000 0.000 0.481 162 G N 0.967 109.724 108.800 -0.071 0.000 2.606 162 G HA2 0.014 3.973 3.960 -0.001 0.000 0.213 162 G HA3 0.014 3.973 3.960 -0.001 0.000 0.213 162 G C 1.262 176.116 174.900 -0.077 0.000 2.020 162 G CA -0.301 44.765 45.100 -0.057 0.000 0.814 162 G HN -0.022 8.268 8.290 -0.000 0.000 0.685 163 L N 0.282 121.481 121.223 -0.039 0.000 2.064 163 L HA -0.229 4.111 4.340 -0.001 0.000 0.216 163 L C 2.978 179.868 176.870 0.033 0.000 1.077 163 L CA 1.638 56.528 54.840 0.083 0.000 0.766 163 L CB -0.586 41.613 42.059 0.234 0.000 0.890 163 L HN 0.477 8.707 8.230 -0.000 0.000 0.435 164 c N -0.965 117.396 118.600 -0.398 0.000 2.413 164 c HA -0.132 4.437 4.570 -0.001 0.000 0.276 164 c C 2.774 176.840 174.090 -0.041 0.000 1.248 164 c CA 1.005 57.154 56.329 -0.300 0.000 1.742 164 c CB -0.498 41.660 42.510 -0.585 0.000 2.017 164 c HN 0.386 8.616 8.230 -0.000 0.000 0.481 165 V N 0.569 120.436 119.914 -0.079 0.000 2.379 165 V HA -0.159 3.960 4.120 -0.001 0.000 0.245 165 V C 2.394 178.445 176.094 -0.072 0.000 1.044 165 V CA 2.289 64.561 62.300 -0.047 0.000 1.036 165 V CB -0.727 31.065 31.823 -0.052 0.000 0.664 165 V HN 0.596 8.786 8.190 -0.000 0.000 0.453 166 E N -1.034 119.106 120.200 -0.099 0.000 2.051 166 E HA -0.250 4.099 4.350 -0.001 0.000 0.192 166 E C 2.055 178.465 176.600 -0.316 0.000 0.991 166 E CA 1.825 58.099 56.400 -0.210 0.000 0.799 166 E CB -0.229 29.311 29.700 -0.266 0.000 0.748 166 E HN 0.698 9.058 8.360 -0.000 0.000 0.449 167 W N 0.712 121.878 121.300 -0.223 0.000 2.388 167 W HA -0.119 4.540 4.660 -0.002 0.000 0.294 167 W C 2.194 178.312 176.519 -0.668 0.000 1.212 167 W CA 0.176 57.251 57.345 -0.450 0.000 1.271 167 W CB -0.364 28.913 29.460 -0.305 0.000 1.126 167 W HN 0.134 8.314 8.180 -0.000 0.000 0.535 168 L N 1.104 122.260 121.223 -0.112 0.000 2.046 168 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 168 L C 2.283 179.069 176.870 -0.139 0.000 1.077 168 L CA 1.878 56.680 54.840 -0.064 0.000 0.747 168 L CB -0.836 41.251 42.059 0.047 0.000 0.896 168 L HN -0.065 8.165 8.230 -0.000 0.000 0.432 169 R N -0.680 119.728 120.500 -0.154 0.000 2.081 169 R HA -0.199 4.141 4.340 -0.001 0.000 0.235 169 R C 2.386 178.571 176.300 -0.192 0.000 1.131 169 R CA 1.594 57.599 56.100 -0.157 0.000 0.960 169 R CB -0.418 29.799 30.300 -0.139 0.000 0.856 169 R HN 0.377 8.647 8.270 -0.000 0.000 0.436 170 R N 0.253 120.597 120.500 -0.260 0.000 2.073 170 R HA -0.162 4.178 4.340 -0.001 0.000 0.234 170 R C 1.766 178.006 176.300 -0.099 0.000 1.134 170 R CA 1.590 57.549 56.100 -0.236 0.000 0.952 170 R CB -0.544 29.521 30.300 -0.392 0.000 0.850 170 R HN 0.156 8.426 8.270 -0.000 0.000 0.433 171 Y N 0.816 121.051 120.300 -0.107 0.000 2.224 171 Y HA -0.069 4.480 4.550 -0.000 0.000 0.289 171 Y C 2.062 177.633 175.900 -0.548 0.000 1.146 171 Y CA 0.716 58.644 58.100 -0.286 0.000 1.182 171 Y CB -0.596 37.662 38.460 -0.336 0.000 0.983 171 Y HN 0.049 8.329 8.280 -0.000 0.000 0.524 172 L N -0.700 120.361 121.223 -0.271 0.000 2.093 172 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 172 L C 2.515 179.220 176.870 -0.276 0.000 1.085 172 L CA 1.129 55.755 54.840 -0.355 0.000 0.755 172 L CB -0.333 41.527 42.059 -0.332 0.000 0.904 172 L HN 0.085 8.315 8.230 -0.000 0.000 0.435 173 E N 0.396 120.483 120.200 -0.189 0.000 2.015 173 E HA -0.162 4.187 4.350 -0.001 0.000 0.191 173 E C 1.973 178.502 176.600 -0.119 0.000 0.991 173 E CA 1.087 57.408 56.400 -0.131 0.000 0.802 173 E CB -0.320 29.321 29.700 -0.098 0.000 0.759 173 E HN 0.396 8.756 8.360 -0.000 0.000 0.447 174 N N 0.024 118.672 118.700 -0.087 0.000 2.137 174 N HA -0.127 4.612 4.740 -0.001 0.000 0.190 174 N C 1.398 176.869 175.510 -0.066 0.000 1.017 174 N CA 1.466 54.510 53.050 -0.010 0.000 0.859 174 N CB -0.408 38.156 38.487 0.127 0.000 1.002 174 N HN 0.184 8.564 8.380 -0.000 0.000 0.428 175 G N 0.441 109.022 108.800 -0.366 0.000 3.805 175 G HA2 0.050 4.009 3.960 -0.001 0.000 0.290 175 G HA3 0.050 4.009 3.960 -0.001 0.000 0.290 175 G C 1.084 175.759 174.900 -0.374 0.000 1.077 175 G CA -0.287 44.476 45.100 -0.561 0.000 0.852 175 G HN 0.361 8.651 8.290 -0.000 0.000 0.531 176 K N 0.478 120.746 120.400 -0.219 0.000 2.113 176 K HA -0.132 4.188 4.320 -0.001 0.000 0.208 176 K C 1.499 178.055 176.600 -0.074 0.000 1.047 176 K CA 1.414 57.615 56.287 -0.143 0.000 0.928 176 K CB -0.152 32.291 32.500 -0.096 0.000 0.716 176 K HN 0.327 8.577 8.250 -0.000 0.000 0.446 177 E N 0.510 120.684 120.200 -0.042 0.000 2.267 177 E HA -0.151 4.198 4.350 -0.001 0.000 0.197 177 E C 1.644 178.247 176.600 0.004 0.000 0.998 177 E CA 1.836 58.234 56.400 -0.002 0.000 0.830 177 E CB -0.019 29.692 29.700 0.019 0.000 0.751 177 E HN 0.758 9.118 8.360 -0.000 0.000 0.491 178 T N -2.312 112.230 114.554 -0.021 0.000 3.058 178 T HA 0.134 4.483 4.350 -0.001 0.000 0.247 178 T C 1.954 176.633 174.700 -0.035 0.000 0.987 178 T CA -0.355 61.728 62.100 -0.027 0.000 1.062 178 T CB -0.363 68.505 68.868 -0.000 0.000 1.048 178 T HN -0.021 8.219 8.240 -0.000 0.000 0.468 179 L N 0.847 122.012 121.223 -0.095 0.000 2.131 179 L HA 0.056 4.395 4.340 -0.001 0.000 0.210 179 L C 2.094 179.003 176.870 0.064 0.000 1.092 179 L CA 1.319 56.126 54.840 -0.056 0.000 0.759 179 L CB -0.542 41.328 42.059 -0.316 0.000 0.903 179 L HN 0.357 8.587 8.230 -0.000 0.000 0.435 180 Q N -0.187 119.624 119.800 0.017 0.000 2.225 180 Q HA 0.182 4.521 4.340 -0.001 0.000 0.259 180 Q C 0.010 176.085 176.000 0.125 0.000 0.872 180 Q CA -0.098 55.761 55.803 0.094 0.000 1.042 180 Q CB 0.656 29.406 28.738 0.020 0.000 1.142 180 Q HN 0.209 8.479 8.270 -0.000 0.000 0.463 181 R N 0.898 121.493 120.500 0.159 0.000 2.409 181 R HA 0.599 4.939 4.340 -0.001 0.000 0.313 181 R C -1.403 175.060 176.300 0.271 0.000 0.953 181 R CA -0.283 55.914 56.100 0.162 0.000 0.849 181 R CB 1.217 31.582 30.300 0.108 0.000 1.171 181 R HN 0.117 8.387 8.270 -0.000 0.000 0.458 182 A N 4.012 126.983 122.820 0.252 0.000 2.301 182 A HA 0.307 4.627 4.320 -0.001 0.000 0.298 182 A C -0.873 176.904 177.584 0.322 0.000 1.185 182 A CA -0.627 51.607 52.037 0.327 0.000 0.830 182 A CB 0.674 19.804 19.000 0.216 0.000 1.112 182 A HN 0.725 8.875 8.150 -0.000 0.000 0.508 183 D N 4.652 125.292 120.400 0.401 0.000 2.317 183 D HA 0.371 5.010 4.640 -0.001 0.000 0.234 183 D C -2.378 174.088 176.300 0.277 0.000 1.112 183 D CA -0.996 53.180 54.000 0.293 0.000 0.840 183 D CB 1.559 42.519 40.800 0.267 0.000 1.078 183 D HN 0.332 8.702 8.370 -0.000 0.000 0.486 184 P HA 0.189 4.609 4.420 -0.000 0.000 0.272 184 P C -2.641 174.693 177.300 0.056 0.000 1.230 184 P CA -1.314 61.856 63.100 0.118 0.000 0.788 184 P CB 0.234 32.015 31.700 0.135 0.000 0.949 185 P HA 0.204 4.624 4.420 -0.000 0.000 0.279 185 P C -0.632 176.738 177.300 0.117 0.000 1.239 185 P CA -0.201 62.960 63.100 0.102 0.000 0.789 185 P CB 0.819 32.490 31.700 -0.048 0.000 0.933 186 K N 1.895 122.396 120.400 0.169 0.000 2.267 186 K HA 0.332 4.651 4.320 -0.001 0.000 0.282 186 K C 0.548 177.268 176.600 0.201 0.000 1.078 186 K CA -0.323 56.056 56.287 0.154 0.000 0.903 186 K CB 0.511 33.095 32.500 0.140 0.000 1.111 186 K HN 0.491 8.741 8.250 -0.000 0.000 0.475 187 T N 0.239 114.896 114.554 0.171 0.000 2.925 187 T HA 0.460 4.809 4.350 -0.001 0.000 0.285 187 T C -0.348 174.507 174.700 0.258 0.000 1.021 187 T CA -0.814 61.394 62.100 0.180 0.000 1.042 187 T CB 1.353 70.276 68.868 0.091 0.000 1.037 187 T HN 0.781 9.021 8.240 -0.000 0.000 0.481 188 H N -1.185 117.991 119.070 0.177 0.000 3.037 188 H HA 0.568 5.123 4.556 -0.001 0.000 0.336 188 H C -2.227 173.274 175.328 0.288 0.000 1.323 188 H CA -0.922 55.231 56.048 0.175 0.000 1.159 188 H CB 0.951 30.776 29.762 0.104 0.000 1.882 188 H HN 0.568 8.848 8.280 -0.000 0.000 0.535 189 V N 2.071 122.223 119.914 0.397 0.000 2.555 189 V HA 0.455 4.574 4.120 -0.001 0.000 0.302 189 V C 0.412 176.783 176.094 0.460 0.000 1.038 189 V CA -0.210 62.335 62.300 0.408 0.000 0.887 189 V CB 1.702 33.796 31.823 0.452 0.000 0.991 189 V HN 1.019 9.209 8.190 -0.000 0.000 0.434 190 T N 0.194 114.942 114.554 0.322 0.000 2.932 190 T HA 0.562 4.912 4.350 -0.001 0.000 0.289 190 T C -0.789 173.708 174.700 -0.340 0.000 1.039 190 T CA -0.644 61.518 62.100 0.103 0.000 1.024 190 T CB 1.900 70.915 68.868 0.245 0.000 1.090 190 T HN 0.732 8.972 8.240 -0.000 0.000 0.496 191 H N 0.917 119.518 119.070 -0.781 0.000 2.529 191 H HA 0.346 4.901 4.556 -0.001 0.000 0.348 191 H C -1.209 173.562 175.328 -0.928 0.000 1.079 191 H CA -0.567 54.898 56.048 -0.973 0.000 1.198 191 H CB 1.190 30.104 29.762 -1.413 0.000 1.521 191 H HN 0.777 9.057 8.280 -0.000 0.000 0.514 192 H N 5.077 123.802 119.070 -0.576 0.000 3.172 192 H HA 0.216 4.771 4.556 -0.001 0.000 0.322 192 H C -2.723 172.372 175.328 -0.390 0.000 1.003 192 H CA -1.697 54.160 56.048 -0.317 0.000 1.466 192 H CB 1.858 31.484 29.762 -0.226 0.000 1.673 192 H HN 0.434 8.714 8.280 -0.000 0.000 0.512 193 P HA -0.058 4.362 4.420 -0.000 0.000 0.268 193 P C 1.231 178.471 177.300 -0.100 0.000 1.204 193 P CA -0.111 62.902 63.100 -0.145 0.000 0.768 193 P CB 1.256 32.941 31.700 -0.024 0.000 0.842 194 V N 0.203 120.049 119.914 -0.113 0.000 3.621 194 V HA 0.263 4.382 4.120 -0.001 0.000 0.263 194 V C 0.478 176.534 176.094 -0.064 0.000 1.272 194 V CA 1.066 63.316 62.300 -0.084 0.000 1.080 194 V CB -0.449 31.318 31.823 -0.094 0.000 0.816 194 V HN 0.676 8.866 8.190 -0.000 0.000 0.451 195 S N -1.201 114.456 115.700 -0.072 0.000 2.671 195 S HA 0.308 4.777 4.470 -0.001 0.000 0.270 195 S C -0.299 174.227 174.600 -0.122 0.000 1.166 195 S CA 0.144 58.296 58.200 -0.079 0.000 0.868 195 S CB 0.846 64.014 63.200 -0.054 0.000 1.190 195 S HN 0.059 8.369 8.310 -0.000 0.000 0.494 196 D N 0.362 120.625 120.400 -0.228 0.000 2.224 196 D HA 0.091 4.730 4.640 -0.001 0.000 0.205 196 D C 1.102 177.180 176.300 -0.370 0.000 0.965 196 D CA 1.465 55.257 54.000 -0.346 0.000 0.852 196 D CB -0.346 40.125 40.800 -0.548 0.000 0.947 196 D HN 0.716 9.086 8.370 -0.000 0.000 0.494 197 H N -0.625 118.436 119.070 -0.014 0.000 2.586 197 H HA 0.358 4.913 4.556 -0.001 0.000 0.273 197 H C -0.034 175.273 175.328 -0.035 0.000 0.997 197 H CA 0.056 56.094 56.048 -0.016 0.000 1.177 197 H CB 0.842 30.597 29.762 -0.013 0.000 1.471 197 H HN -0.012 8.268 8.280 -0.000 0.000 0.538 198 E N 0.234 120.439 120.200 0.008 0.000 2.372 198 E HA 0.679 5.028 4.350 -0.001 0.000 0.279 198 E C -1.344 175.175 176.600 -0.134 0.000 0.946 198 E CA -0.952 55.414 56.400 -0.056 0.000 0.769 198 E CB 2.680 32.347 29.700 -0.054 0.000 1.230 198 E HN 0.172 8.532 8.360 -0.000 0.000 0.442 199 A N 1.237 123.920 122.820 -0.229 0.000 2.475 199 A HA 0.682 5.001 4.320 -0.001 0.000 0.301 199 A C -0.813 176.492 177.584 -0.465 0.000 1.059 199 A CA -0.610 51.182 52.037 -0.408 0.000 0.710 199 A CB 1.933 20.576 19.000 -0.594 0.000 1.288 199 A HN 0.388 8.538 8.150 -0.000 0.000 0.408 200 T N 2.319 116.594 114.554 -0.465 0.000 2.767 200 T HA 0.525 4.874 4.350 -0.001 0.000 0.288 200 T C -0.345 174.078 174.700 -0.461 0.000 0.963 200 T CA 0.107 61.977 62.100 -0.384 0.000 1.019 200 T CB 0.081 68.813 68.868 -0.227 0.000 0.923 200 T HN 0.414 8.654 8.240 -0.000 0.000 0.468 201 L N 3.860 124.791 121.223 -0.486 0.000 2.296 201 L HA 0.590 4.929 4.340 -0.001 0.000 0.286 201 L C 0.336 177.132 176.870 -0.123 0.000 1.023 201 L CA -0.733 53.858 54.840 -0.414 0.000 0.812 201 L CB 1.420 43.061 42.059 -0.697 0.000 1.223 201 L HN 0.408 8.638 8.230 -0.000 0.000 0.421 202 R N 2.860 123.400 120.500 0.067 0.000 2.439 202 R HA 0.415 4.754 4.340 -0.001 0.000 0.310 202 R C -1.318 175.103 176.300 0.202 0.000 0.955 202 R CA -0.433 55.703 56.100 0.060 0.000 0.853 202 R CB 1.555 31.698 30.300 -0.261 0.000 1.171 202 R HN 0.679 8.949 8.270 -0.000 0.000 0.449 203 c N 6.690 125.431 118.600 0.235 0.000 2.265 203 c HA 0.526 5.096 4.570 -0.001 0.000 0.332 203 c C -0.880 173.201 174.090 -0.015 0.000 1.248 203 c CA -0.632 55.724 56.329 0.044 0.000 1.727 203 c CB -0.667 41.640 42.510 -0.338 0.000 2.348 203 c HN 0.880 9.110 8.230 -0.000 0.000 0.519 204 W N 4.146 125.390 121.300 -0.093 0.000 2.496 204 W HA 0.609 5.268 4.660 -0.002 0.000 0.327 204 W C 0.007 176.523 176.519 -0.005 0.000 1.086 204 W CA -0.423 56.886 57.345 -0.060 0.000 1.222 204 W CB 1.346 30.572 29.460 -0.391 0.000 1.304 204 W HN 0.866 9.046 8.180 -0.000 0.000 0.547 205 A N 4.255 127.316 122.820 0.403 0.000 2.411 205 A HA 0.793 5.112 4.320 -0.001 0.000 0.285 205 A C -1.446 176.484 177.584 0.577 0.000 1.129 205 A CA -0.533 51.717 52.037 0.355 0.000 0.736 205 A CB 0.328 19.416 19.000 0.146 0.000 1.186 205 A HN 0.657 8.807 8.150 -0.000 0.000 0.445 206 L N 1.103 122.598 121.223 0.455 0.000 2.323 206 L HA 0.787 5.126 4.340 -0.001 0.000 0.265 206 L C 1.304 178.322 176.870 0.248 0.000 1.012 206 L CA -0.171 54.865 54.840 0.327 0.000 0.820 206 L CB 1.950 44.156 42.059 0.245 0.000 1.334 206 L HN 1.232 9.462 8.230 -0.000 0.000 0.427 207 G N 1.163 110.006 108.800 0.072 0.000 2.179 207 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.257 207 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.257 207 G C -0.179 174.787 174.900 0.111 0.000 1.010 207 G CA 0.623 45.756 45.100 0.054 0.000 0.736 207 G HN 0.533 8.823 8.290 -0.000 0.000 0.513 208 F N -1.331 118.685 119.950 0.109 0.000 2.399 208 F HA 0.842 5.368 4.527 -0.002 0.000 0.328 208 F C -0.191 175.810 175.800 0.335 0.000 1.084 208 F CA -2.576 55.457 58.000 0.055 0.000 1.053 208 F CB 1.110 39.906 39.000 -0.340 0.000 1.209 208 F HN 0.149 8.449 8.300 -0.000 0.000 0.502 209 Y N 3.460 124.035 120.300 0.458 0.000 2.442 209 Y HA 0.485 5.034 4.550 -0.002 0.000 0.330 209 Y C -2.904 173.306 175.900 0.517 0.000 1.100 209 Y CA -2.472 55.910 58.100 0.470 0.000 1.034 209 Y CB 2.337 40.992 38.460 0.326 0.000 1.285 209 Y HN 0.535 8.815 8.280 -0.000 0.000 0.440 210 P HA 0.205 4.625 4.420 -0.000 0.000 0.289 210 P C -0.069 177.183 177.300 -0.080 0.000 1.299 210 P CA 0.392 63.069 63.100 -0.705 0.000 0.766 210 P CB 1.055 32.367 31.700 -0.647 0.000 1.226 211 A N -1.015 121.543 122.820 -0.437 0.000 1.972 211 A HA -0.109 4.210 4.320 -0.001 0.000 0.219 211 A C 1.224 178.778 177.584 -0.049 0.000 1.169 211 A CA 1.126 52.846 52.037 -0.527 0.000 0.635 211 A CB -1.067 17.240 19.000 -1.154 0.000 0.810 211 A HN 0.498 8.648 8.150 -0.000 0.000 0.446 212 E N 0.142 120.280 120.200 -0.103 0.000 2.498 212 E HA 0.256 4.606 4.350 -0.001 0.000 0.252 212 E C -0.846 175.726 176.600 -0.047 0.000 1.025 212 E CA 0.505 56.853 56.400 -0.086 0.000 0.938 212 E CB 0.117 29.735 29.700 -0.136 0.000 0.947 212 E HN 0.527 8.887 8.360 -0.000 0.000 0.478 213 I N 2.095 122.615 120.570 -0.083 0.000 3.004 213 I HA 0.274 4.443 4.170 -0.001 0.000 0.305 213 I C -1.217 174.825 176.117 -0.125 0.000 1.312 213 I CA -0.387 60.822 61.300 -0.150 0.000 0.992 213 I CB 2.439 40.145 38.000 -0.490 0.000 1.282 213 I HN 0.214 8.424 8.210 -0.000 0.000 0.449 214 T N 6.188 120.672 114.554 -0.117 0.000 2.881 214 T HA 0.558 4.907 4.350 -0.001 0.000 0.291 214 T C -0.859 173.790 174.700 -0.084 0.000 0.990 214 T CA -0.436 61.615 62.100 -0.081 0.000 0.976 214 T CB 1.247 70.081 68.868 -0.055 0.000 0.970 214 T HN 0.298 8.538 8.240 -0.000 0.000 0.438 215 L N 3.127 124.305 121.223 -0.075 0.000 2.349 215 L HA 0.621 4.960 4.340 -0.001 0.000 0.278 215 L C -0.197 176.639 176.870 -0.058 0.000 0.996 215 L CA -0.633 54.151 54.840 -0.094 0.000 0.825 215 L CB 1.932 43.930 42.059 -0.101 0.000 1.243 215 L HN 0.637 8.867 8.230 -0.000 0.000 0.412 216 T N 0.589 115.111 114.554 -0.054 0.000 2.893 216 T HA 0.438 4.787 4.350 -0.001 0.000 0.291 216 T C -1.214 173.510 174.700 0.040 0.000 1.028 216 T CA -0.472 61.657 62.100 0.048 0.000 0.995 216 T CB 1.574 70.505 68.868 0.105 0.000 1.051 216 T HN 0.335 8.575 8.240 -0.000 0.000 0.470 217 W N 1.663 123.054 121.300 0.152 0.000 2.520 217 W HA 0.552 5.211 4.660 -0.001 0.000 0.323 217 W C 0.128 176.769 176.519 0.203 0.000 1.062 217 W CA -0.572 56.878 57.345 0.175 0.000 1.215 217 W CB 1.371 30.934 29.460 0.171 0.000 1.340 217 W HN 0.390 8.570 8.180 -0.000 0.000 0.516 218 Q N 2.860 123.006 119.800 0.577 0.000 2.356 218 Q HA 0.387 4.726 4.340 -0.001 0.000 0.270 218 Q C -0.788 175.297 176.000 0.143 0.000 1.058 218 Q CA -1.173 54.833 55.803 0.338 0.000 0.802 218 Q CB 2.861 31.826 28.738 0.377 0.000 1.303 218 Q HN 0.371 8.641 8.270 -0.000 0.000 0.444 219 R N 2.802 123.250 120.500 -0.086 0.000 2.288 219 R HA 0.130 4.469 4.340 -0.001 0.000 0.326 219 R C -0.991 175.200 176.300 -0.183 0.000 0.959 219 R CA -0.061 55.786 56.100 -0.421 0.000 0.834 219 R CB 0.461 30.390 30.300 -0.618 0.000 1.157 219 R HN 0.677 8.947 8.270 -0.000 0.000 0.470 220 D N 3.802 124.129 120.400 -0.123 0.000 2.723 220 D HA -0.183 4.456 4.640 -0.001 0.000 0.236 220 D C 0.679 176.975 176.300 -0.008 0.000 1.138 220 D CA 1.619 55.592 54.000 -0.044 0.000 0.676 220 D CB -1.103 39.664 40.800 -0.055 0.000 1.069 220 D HN 1.085 9.455 8.370 -0.000 0.000 0.430 221 G N 0.049 108.869 108.800 0.032 0.000 2.168 221 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.263 221 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.263 221 G C 0.076 174.982 174.900 0.009 0.000 0.977 221 G CA 0.695 45.816 45.100 0.035 0.000 0.659 221 G HN 0.571 8.861 8.290 -0.000 0.000 0.533 222 E N 0.734 120.938 120.200 0.008 0.000 2.151 222 E HA 0.439 4.789 4.350 -0.001 0.000 0.275 222 E C -0.739 175.885 176.600 0.039 0.000 0.936 222 E CA -0.841 55.563 56.400 0.006 0.000 0.777 222 E CB 0.526 30.221 29.700 -0.009 0.000 1.108 222 E HN 0.225 8.585 8.360 -0.000 0.000 0.401 223 D N 3.963 124.388 120.400 0.041 0.000 2.412 223 D HA -0.034 4.605 4.640 -0.001 0.000 0.257 223 D C -0.080 176.275 176.300 0.091 0.000 1.217 223 D CA 0.360 54.406 54.000 0.076 0.000 0.897 223 D CB 0.672 41.498 40.800 0.045 0.000 1.132 223 D HN 0.243 8.613 8.370 -0.000 0.000 0.493 224 Q N 2.027 121.916 119.800 0.147 0.000 2.414 224 Q HA 0.029 4.368 4.340 -0.001 0.000 0.286 224 Q C 1.032 177.111 176.000 0.131 0.000 0.941 224 Q CA 0.043 55.932 55.803 0.143 0.000 0.951 224 Q CB -0.237 28.623 28.738 0.203 0.000 1.188 224 Q HN 0.438 8.708 8.270 -0.000 0.000 0.418 225 T N 0.656 115.269 114.554 0.099 0.000 2.778 225 T HA -0.178 4.171 4.350 -0.001 0.000 0.269 225 T C 1.577 176.316 174.700 0.064 0.000 1.050 225 T CA 1.255 63.403 62.100 0.079 0.000 1.137 225 T CB 0.219 69.118 68.868 0.052 0.000 0.860 225 T HN 0.343 8.583 8.240 -0.000 0.000 0.468 226 Q N 0.943 120.776 119.800 0.055 0.000 2.172 226 Q HA -0.011 4.328 4.340 -0.001 0.000 0.200 226 Q C 1.307 177.333 176.000 0.043 0.000 0.964 226 Q CA 0.994 56.821 55.803 0.041 0.000 0.855 226 Q CB -0.059 28.698 28.738 0.033 0.000 0.918 226 Q HN 0.616 8.886 8.270 -0.000 0.000 0.444 227 D N 0.361 120.795 120.400 0.056 0.000 2.395 227 D HA 0.071 4.710 4.640 -0.001 0.000 0.213 227 D C -0.218 176.112 176.300 0.051 0.000 1.110 227 D CA 0.121 54.147 54.000 0.044 0.000 0.835 227 D CB 0.784 41.609 40.800 0.042 0.000 0.965 227 D HN 0.023 8.393 8.370 -0.000 0.000 0.505 228 T N 1.088 115.696 114.554 0.090 0.000 2.806 228 T HA 0.173 4.522 4.350 -0.001 0.000 0.290 228 T C 0.079 174.843 174.700 0.106 0.000 0.966 228 T CA -0.320 61.861 62.100 0.134 0.000 1.060 228 T CB 2.353 71.352 68.868 0.218 0.000 0.927 228 T HN -0.054 8.186 8.240 -0.000 0.000 0.485 229 E N 3.251 123.528 120.200 0.129 0.000 2.156 229 E HA 0.479 4.828 4.350 -0.001 0.000 0.279 229 E C -1.148 175.511 176.600 0.098 0.000 0.965 229 E CA -0.514 55.948 56.400 0.104 0.000 0.789 229 E CB 0.717 30.502 29.700 0.142 0.000 1.098 229 E HN 0.486 8.846 8.360 -0.000 0.000 0.397 230 L N 4.060 125.261 121.223 -0.037 0.000 2.354 230 L HA 0.482 4.821 4.340 -0.001 0.000 0.269 230 L C -0.338 176.315 176.870 -0.360 0.000 1.005 230 L CA -1.131 53.616 54.840 -0.155 0.000 0.819 230 L CB 1.935 43.943 42.059 -0.084 0.000 1.311 230 L HN 0.382 8.612 8.230 -0.000 0.000 0.423 231 V N -1.359 118.172 119.914 -0.638 0.000 2.713 231 V HA 0.461 4.580 4.120 -0.001 0.000 0.307 231 V C -0.033 175.852 176.094 -0.350 0.000 1.052 231 V CA -0.877 61.042 62.300 -0.635 0.000 0.967 231 V CB 1.565 32.750 31.823 -1.065 0.000 1.019 231 V HN 0.842 9.032 8.190 -0.000 0.000 0.459 232 E N 1.643 121.705 120.200 -0.231 0.000 2.384 232 E HA 0.118 4.468 4.350 -0.001 0.000 0.266 232 E C -0.132 176.417 176.600 -0.084 0.000 1.012 232 E CA -0.348 55.977 56.400 -0.124 0.000 0.901 232 E CB 0.653 30.302 29.700 -0.086 0.000 0.967 232 E HN 0.870 9.230 8.360 -0.000 0.000 0.435 233 T N 5.289 119.834 114.554 -0.015 0.000 2.905 233 T HA 0.027 4.376 4.350 -0.001 0.000 0.299 233 T C 0.098 174.873 174.700 0.125 0.000 1.024 233 T CA 0.306 62.459 62.100 0.088 0.000 1.151 233 T CB 0.064 68.997 68.868 0.107 0.000 0.987 233 T HN 0.459 8.699 8.240 -0.000 0.000 0.535 234 R N 3.191 123.797 120.500 0.176 0.000 2.750 234 R HA 0.596 4.935 4.340 -0.001 0.000 0.281 234 R C -3.231 173.151 176.300 0.136 0.000 0.972 234 R CA -2.454 53.734 56.100 0.147 0.000 0.912 234 R CB 1.506 31.842 30.300 0.059 0.000 1.187 234 R HN 0.285 8.555 8.270 -0.000 0.000 0.464 235 P HA 0.102 4.522 4.420 -0.000 0.000 0.278 235 P C -0.182 176.985 177.300 -0.222 0.000 1.238 235 P CA -0.249 62.653 63.100 -0.330 0.000 0.794 235 P CB 1.747 33.278 31.700 -0.281 0.000 0.955 236 A N 2.447 125.090 122.820 -0.294 0.000 2.021 236 A HA 0.344 4.663 4.320 -0.001 0.000 0.216 236 A C 1.629 179.136 177.584 -0.129 0.000 1.163 236 A CA 1.439 53.383 52.037 -0.156 0.000 0.676 236 A CB -1.114 17.798 19.000 -0.147 0.000 0.818 236 A HN 0.694 8.844 8.150 -0.000 0.000 0.453 237 G N -0.032 108.665 108.800 -0.172 0.000 2.231 237 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.206 237 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.206 237 G C 0.267 175.099 174.900 -0.113 0.000 0.996 237 G CA 0.687 45.714 45.100 -0.122 0.000 0.645 237 G HN 0.784 9.074 8.290 -0.000 0.000 0.498 238 D N -0.101 120.224 120.400 -0.124 0.000 2.501 238 D HA 0.339 4.978 4.640 -0.001 0.000 0.226 238 D C 1.270 177.508 176.300 -0.105 0.000 1.198 238 D CA 0.451 54.394 54.000 -0.095 0.000 0.830 238 D CB -0.095 40.664 40.800 -0.069 0.000 1.014 238 D HN 1.122 9.492 8.370 -0.000 0.000 0.496 239 R N -1.527 118.884 120.500 -0.149 0.000 2.775 239 R HA -0.206 4.133 4.340 -0.001 0.000 0.380 239 R C -0.339 175.872 176.300 -0.148 0.000 0.351 239 R CA 1.422 57.445 56.100 -0.129 0.000 1.426 239 R CB -2.760 27.473 30.300 -0.112 0.000 1.830 239 R HN 0.278 8.548 8.270 -0.000 0.000 0.261 240 T N -1.334 113.106 114.554 -0.190 0.000 2.810 240 T HA 0.707 5.057 4.350 -0.001 0.000 0.277 240 T C 0.095 174.442 174.700 -0.588 0.000 0.973 240 T CA -0.313 61.692 62.100 -0.158 0.000 0.949 240 T CB 0.864 69.692 68.868 -0.067 0.000 1.075 240 T HN 0.191 8.431 8.240 -0.000 0.000 0.537 241 F N -0.494 119.192 119.950 -0.439 0.000 2.631 241 F HA 0.611 5.137 4.527 -0.001 0.000 0.328 241 F C 0.319 175.604 175.800 -0.858 0.000 1.067 241 F CA -0.977 56.660 58.000 -0.606 0.000 0.969 241 F CB 2.342 40.941 39.000 -0.669 0.000 1.332 241 F HN 0.606 8.906 8.300 -0.000 0.000 0.490 242 Q N 0.730 120.419 119.800 -0.185 0.000 2.501 242 Q HA 0.674 5.013 4.340 -0.001 0.000 0.288 242 Q C -1.589 174.608 176.000 0.327 0.000 1.051 242 Q CA -1.360 54.522 55.803 0.131 0.000 0.788 242 Q CB 3.878 32.746 28.738 0.217 0.000 1.469 242 Q HN 0.534 8.804 8.270 -0.000 0.000 0.416 243 K N 1.064 121.711 120.400 0.411 0.000 2.622 243 K HA 0.408 4.727 4.320 -0.001 0.000 0.273 243 K C -2.115 174.593 176.600 0.180 0.000 0.957 243 K CA -0.564 55.839 56.287 0.193 0.000 0.861 243 K CB 1.745 34.388 32.500 0.239 0.000 1.405 243 K HN 0.770 9.020 8.250 -0.000 0.000 0.406 244 W N 1.126 122.352 121.300 -0.122 0.000 3.107 244 W HA 0.816 5.475 4.660 -0.001 0.000 0.331 244 W C -1.864 174.545 176.519 -0.184 0.000 1.204 244 W CA -1.081 56.087 57.345 -0.296 0.000 1.184 244 W CB 1.393 30.352 29.460 -0.835 0.000 1.421 244 W HN 0.683 8.863 8.180 -0.000 0.000 0.544 245 A N 1.509 124.537 122.820 0.347 0.000 2.371 245 A HA 0.905 5.225 4.320 -0.001 0.000 0.311 245 A C -1.236 176.700 177.584 0.587 0.000 1.068 245 A CA -0.522 51.744 52.037 0.381 0.000 0.744 245 A CB 1.394 20.517 19.000 0.204 0.000 1.239 245 A HN 1.255 9.405 8.150 -0.000 0.000 0.435 246 A N 0.846 123.970 122.820 0.507 0.000 2.413 246 A HA 0.882 5.201 4.320 -0.001 0.000 0.307 246 A C -1.152 176.432 177.584 -0.001 0.000 1.087 246 A CA -0.678 51.504 52.037 0.242 0.000 0.750 246 A CB 1.762 20.796 19.000 0.056 0.000 1.296 246 A HN 2.066 10.216 8.150 -0.000 0.000 0.423 247 V N 1.557 121.254 119.914 -0.362 0.000 2.851 247 V HA 0.554 4.673 4.120 -0.001 0.000 0.307 247 V C -1.237 174.571 176.094 -0.476 0.000 1.129 247 V CA -0.464 61.567 62.300 -0.448 0.000 0.932 247 V CB 2.218 33.599 31.823 -0.736 0.000 1.024 247 V HN 0.871 9.061 8.190 -0.000 0.000 0.426 248 V N 6.985 126.705 119.914 -0.324 0.000 2.406 248 V HA 0.607 4.726 4.120 -0.001 0.000 0.272 248 V C 0.119 176.009 176.094 -0.340 0.000 1.043 248 V CA -0.114 62.004 62.300 -0.303 0.000 0.915 248 V CB 1.193 32.908 31.823 -0.179 0.000 0.988 248 V HN 0.891 9.081 8.190 -0.000 0.000 0.466 249 V N 3.459 123.118 119.914 -0.425 0.000 2.960 249 V HA 0.768 4.887 4.120 -0.001 0.000 0.315 249 V C -2.900 173.076 176.094 -0.197 0.000 1.087 249 V CA -3.063 58.987 62.300 -0.415 0.000 0.982 249 V CB 2.136 33.450 31.823 -0.849 0.000 1.039 249 V HN 0.614 8.804 8.190 -0.000 0.000 0.437 250 P HA 0.257 4.677 4.420 -0.000 0.000 0.271 250 P C -0.154 177.157 177.300 0.017 0.000 1.216 250 P CA 0.328 63.432 63.100 0.006 0.000 0.771 250 P CB 0.679 32.411 31.700 0.054 0.000 0.864 251 S N 2.301 118.025 115.700 0.040 0.000 2.546 251 S HA 0.278 4.747 4.470 -0.001 0.000 0.290 251 S C 1.593 176.245 174.600 0.088 0.000 1.290 251 S CA 1.397 59.635 58.200 0.063 0.000 1.069 251 S CB -0.661 62.577 63.200 0.062 0.000 0.846 251 S HN 0.887 9.197 8.310 -0.000 0.000 0.495 252 G N 3.294 112.161 108.800 0.111 0.000 2.241 252 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.244 252 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.244 252 G C 0.302 175.278 174.900 0.128 0.000 0.998 252 G CA 0.288 45.457 45.100 0.115 0.000 0.621 252 G HN 0.685 8.975 8.290 -0.000 0.000 0.519 253 E N 0.794 121.074 120.200 0.133 0.000 2.451 253 E HA 0.114 4.463 4.350 -0.001 0.000 0.194 253 E C 1.712 178.460 176.600 0.248 0.000 1.027 253 E CA 0.164 56.671 56.400 0.177 0.000 0.914 253 E CB 0.128 29.943 29.700 0.191 0.000 1.054 253 E HN 0.669 9.029 8.360 -0.000 0.000 0.461 254 E N 1.407 121.731 120.200 0.207 0.000 2.085 254 E HA -0.271 4.078 4.350 -0.001 0.000 0.194 254 E C 1.878 178.679 176.600 0.335 0.000 0.994 254 E CA 0.948 57.487 56.400 0.230 0.000 0.801 254 E CB -0.344 29.557 29.700 0.335 0.000 0.743 254 E HN 0.365 8.725 8.360 -0.000 0.000 0.453 255 Q N 1.355 121.324 119.800 0.281 0.000 2.439 255 Q HA -0.106 4.233 4.340 -0.001 0.000 0.211 255 Q C 1.485 177.617 176.000 0.219 0.000 0.978 255 Q CA 0.931 56.875 55.803 0.234 0.000 0.897 255 Q CB -0.335 28.495 28.738 0.153 0.000 0.956 255 Q HN 0.306 8.576 8.270 -0.000 0.000 0.483 256 R N -0.472 120.175 120.500 0.244 0.000 2.310 256 R HA 0.144 4.483 4.340 -0.001 0.000 0.202 256 R C -0.272 176.059 176.300 0.052 0.000 0.933 256 R CA 0.075 56.247 56.100 0.121 0.000 1.054 256 R CB 0.241 30.565 30.300 0.041 0.000 0.985 256 R HN 0.206 8.476 8.270 -0.000 0.000 0.489 257 Y N 0.505 120.898 120.300 0.156 0.000 2.352 257 Y HA 0.212 4.761 4.550 -0.002 0.000 0.339 257 Y C 0.521 176.664 175.900 0.406 0.000 0.992 257 Y CA -0.739 57.502 58.100 0.234 0.000 1.100 257 Y CB 1.961 40.456 38.460 0.059 0.000 1.192 257 Y HN -0.119 8.161 8.280 -0.000 0.000 0.458 258 T N -0.805 114.075 114.554 0.543 0.000 2.893 258 T HA 0.476 4.825 4.350 -0.001 0.000 0.291 258 T C -0.966 173.669 174.700 -0.107 0.000 1.028 258 T CA -0.839 61.395 62.100 0.223 0.000 0.995 258 T CB 1.271 70.115 68.868 -0.041 0.000 1.051 258 T HN 0.741 8.981 8.240 -0.000 0.000 0.470 259 c N 3.943 122.174 118.600 -0.616 0.000 2.319 259 c HA 0.585 5.154 4.570 -0.001 0.000 0.335 259 c C -0.436 173.196 174.090 -0.763 0.000 1.274 259 c CA -0.399 55.337 56.329 -0.988 0.000 1.806 259 c CB -0.846 40.897 42.510 -1.278 0.000 2.329 259 c HN 0.977 9.207 8.230 -0.000 0.000 0.524 260 H N 4.598 123.520 119.070 -0.248 0.000 2.511 260 H HA 0.481 5.036 4.556 -0.001 0.000 0.328 260 H C -0.694 174.548 175.328 -0.143 0.000 1.044 260 H CA -0.231 55.736 56.048 -0.134 0.000 1.212 260 H CB 1.657 31.375 29.762 -0.073 0.000 1.428 260 H HN 0.507 8.787 8.280 -0.000 0.000 0.483 261 V N 4.291 124.184 119.914 -0.035 0.000 2.417 261 V HA 0.248 4.367 4.120 -0.001 0.000 0.291 261 V C -0.063 176.017 176.094 -0.023 0.000 1.024 261 V CA -0.746 61.518 62.300 -0.060 0.000 0.861 261 V CB 1.860 33.636 31.823 -0.079 0.000 0.985 261 V HN 0.701 8.891 8.190 -0.000 0.000 0.436 262 Q N 3.111 122.890 119.800 -0.035 0.000 2.330 262 Q HA 0.660 4.999 4.340 -0.001 0.000 0.269 262 Q C -1.328 174.672 176.000 0.000 0.000 1.022 262 Q CA -0.675 55.118 55.803 -0.016 0.000 0.796 262 Q CB 2.758 31.478 28.738 -0.030 0.000 1.271 262 Q HN 0.896 9.166 8.270 -0.000 0.000 0.450 263 H N 0.087 119.098 119.070 -0.098 0.000 3.086 263 H HA 0.030 4.585 4.556 -0.001 0.000 0.353 263 H C 0.126 175.424 175.328 -0.050 0.000 1.134 263 H CA -0.381 55.602 56.048 -0.108 0.000 1.248 263 H CB 1.309 30.981 29.762 -0.149 0.000 1.878 263 H HN 0.753 9.033 8.280 -0.000 0.000 0.527 264 E N 2.274 122.185 120.200 -0.482 0.000 2.401 264 E HA -0.074 4.275 4.350 -0.001 0.000 0.199 264 E C 0.965 177.526 176.600 -0.065 0.000 1.023 264 E CA 1.069 57.323 56.400 -0.245 0.000 0.859 264 E CB 0.033 29.577 29.700 -0.261 0.000 0.780 264 E HN 0.672 9.032 8.360 -0.000 0.000 0.523 265 G N 1.046 109.925 108.800 0.132 0.000 2.985 265 G HA2 0.155 4.115 3.960 -0.001 0.000 0.209 265 G HA3 0.155 4.115 3.960 -0.001 0.000 0.209 265 G C 0.441 175.455 174.900 0.191 0.000 1.165 265 G CA -0.317 44.942 45.100 0.265 0.000 0.776 265 G HN 0.076 8.366 8.290 -0.000 0.000 0.541 266 L N 0.343 121.657 121.223 0.152 0.000 2.307 266 L HA 0.325 4.664 4.340 -0.001 0.000 0.284 266 L C -1.327 175.577 176.870 0.056 0.000 1.023 266 L CA -1.930 52.968 54.840 0.096 0.000 0.810 266 L CB 2.274 44.385 42.059 0.086 0.000 1.231 266 L HN -0.109 8.121 8.230 -0.000 0.000 0.423 267 P HA -0.149 4.271 4.420 -0.000 0.000 0.215 267 P C -0.915 176.399 177.300 0.023 0.000 1.157 267 P CA 1.417 64.536 63.100 0.032 0.000 0.874 267 P CB 0.201 31.920 31.700 0.032 0.000 0.790 268 K N -3.449 116.967 120.400 0.026 0.000 2.532 268 K HA 0.561 4.880 4.320 -0.001 0.000 0.265 268 K C -3.111 173.505 176.600 0.027 0.000 0.948 268 K CA -2.714 53.586 56.287 0.021 0.000 0.842 268 K CB -0.909 31.603 32.500 0.019 0.000 1.392 268 K HN -0.341 7.909 8.250 -0.000 0.000 0.436 269 P HA -0.022 4.398 4.420 -0.000 0.000 0.264 269 P C -0.729 176.596 177.300 0.042 0.000 1.173 269 P CA 0.160 63.279 63.100 0.033 0.000 0.761 269 P CB 0.346 32.067 31.700 0.034 0.000 0.794 270 L N 2.441 123.683 121.223 0.033 0.000 2.325 270 L HA 0.415 4.754 4.340 -0.001 0.000 0.279 270 L C 0.436 177.308 176.870 0.004 0.000 1.054 270 L CA -0.182 54.669 54.840 0.018 0.000 0.804 270 L CB 1.438 43.498 42.059 0.002 0.000 1.200 270 L HN 0.297 8.527 8.230 -0.000 0.000 0.436 271 T N 3.763 118.309 114.554 -0.014 0.000 2.840 271 T HA 0.623 4.972 4.350 -0.001 0.000 0.287 271 T C -0.575 174.068 174.700 -0.094 0.000 0.991 271 T CA -0.401 61.642 62.100 -0.096 0.000 0.964 271 T CB 1.311 70.184 68.868 0.007 0.000 0.954 271 T HN 0.137 8.377 8.240 -0.000 0.000 0.438 272 L N 2.849 123.973 121.223 -0.165 0.000 2.354 272 L HA 0.725 5.065 4.340 -0.001 0.000 0.269 272 L C 0.186 177.059 176.870 0.004 0.000 1.005 272 L CA -0.661 54.142 54.840 -0.061 0.000 0.819 272 L CB 1.962 43.988 42.059 -0.055 0.000 1.311 272 L HN 0.410 8.640 8.230 -0.000 0.000 0.423 273 R N 0.191 120.762 120.500 0.118 0.000 2.867 273 R HA 0.383 4.722 4.340 -0.001 0.000 0.268 273 R C -1.831 174.652 176.300 0.305 0.000 1.014 273 R CA -0.829 55.414 56.100 0.237 0.000 0.946 273 R CB 1.633 32.035 30.300 0.170 0.000 1.208 273 R HN 0.626 8.896 8.270 -0.000 0.000 0.477 274 W N 2.737 124.145 121.300 0.181 0.000 2.358 274 W HA 0.229 4.888 4.660 -0.002 0.000 0.307 274 W C -0.822 175.746 176.519 0.082 0.000 1.203 274 W CA -0.362 57.069 57.345 0.144 0.000 1.279 274 W CB 0.686 30.242 29.460 0.161 0.000 1.264 274 W HN 0.433 8.613 8.180 -0.000 0.000 0.474 275 E N 7.144 127.112 120.200 -0.388 0.000 2.046 275 E HA 0.234 4.583 4.350 -0.001 0.000 0.279 275 E C -1.735 174.352 176.600 -0.855 0.000 0.989 275 E CA -1.495 54.623 56.400 -0.471 0.000 0.798 275 E CB 0.678 30.251 29.700 -0.211 0.000 1.086 275 E HN 0.275 8.635 8.360 -0.000 0.000 0.399 276 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 276 P CA 0.000 62.526 63.100 -0.957 0.000 0.800 276 P CB 0.000 31.179 31.700 -0.869 0.000 0.726