*HEADER HYDROLASE INHIBITOR 13-JAN-09 SMS20068 *TITLE DESIGN, SYNTHESIS, BIOLOGICAL EVALUATION, AND STRUCTURAL *TITLE 2 CHARACTERIZATION OF POTENT HISTONE DEACETYLASE INHIBITORS BASED ON *TITLE 3 CYCLIC ALPHA/BETA-TETRAPEPTIDE ARCHITECTURES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CYCLO[TRP-BLEU-PRO-AOD]; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 32630; *SOURCE 5 OTHER_DETAILS: PREPARED VIA STANDARD SOLID-PHASE PEPTIDE SYNTHESIS *SOURCE 6 PROCEDURES *KEYWDS BETA AMINO ACID, DRUG DESIGN, CYCLIC TETRAPEPTIDES, HISTONE *KEYWDS 2 DEACETYLASE, STRUCTURE-ACTIVITY RELATIONSHIP, HISTONE DEACETYLASE *KEYWDS 3 INHIBITOR, HYDROLASE INHIBITOR *EXPDTA SOLUTION NMR *NUMMDL 18 *AUTHOR J.M.BEIERLE assign (resid 2 and name HQ# ) (resid 2 and name HQ# ) 2.7 1.1 0 assign (resid 3 and name HB# ) (resid 3 and name HA ) 2.7 1.1 0 assign (resid 4 and name HN ) (resid 1 and name HN ) 2.7 1.1 0 assign (resid 2 and name HQ# ) (resid 3 and name HD# ) 2.7 1.1 0 assign (resid 2 and name HQ# ) (resid 2 and name HA ) 2.7 1.1 0 assign (resid 1 and name HA ) (resid 1 and name HB# ) 2.7 1.1 0 assign (resid 2 and name HB# ) (resid 2 and name HA ) 2.7 1.1 0 assign (resid 1 and name HA ) (resid 1 and name HB# ) 2.7 1.1 0 assign (resid 4 and name HB# ) (resid 4 and name HA ) 2.7 1.1 0 assign (resid 4 and name HB# ) (resid 4 and name HA ) 2.7 1.1 0 assign (resid 2 and name HA ) (resid 2 and name HN ) 2.7 1.1 0 assign (resid 2 and name HQ# ) (resid 3 and name HD# ) 2.7 1.1 0 assign (resid 2 and name HQ# ) (resid 2 and name HN ) 2.7 1.1 0 assign (resid 2 and name HB# ) (resid 2 and name HA ) 2.7 1.1 0 assign (resid 2 and name HQ# ) (resid 2 and name HG ) 2.7 1.1 0 assign (resid 1 and name HB# ) (resid 1 and name HE3 ) 2.7 1.1 0 assign (resid 3 and name HG# ) (resid 3 and name HD# ) 3.5 1.9 0 assign (resid 2 and name HQ# ) (resid 2 and name HB# ) 3.5 1.9 0 assign (resid 2 and name HQ# ) (resid 3 and name HD# ) 3.5 1.9 0 assign (resid 1 and name HB# ) (resid 2 and name HN ) 3.5 1.9 0 assign (resid 3 and name HG# ) (resid 3 and name HD# ) 3.5 1.9 0 assign (resid 1 and name HA ) (resid 2 and name HN ) 3.5 1.9 0 assign (resid 3 and name HB# ) (resid 3 and name HA ) 3.5 1.9 0 assign (resid 1 and name HB# ) (resid 1 and name HN ) 3.5 1.9 0 assign (resid 3 and name HD# ) (resid 4 and name HN ) 3.5 1.9 0 assign (resid 3 and name HA ) (resid 4 and name HN ) 3.5 1.9 0 assign (resid 4 and name HG# ) (resid 4 and name HA ) 3.5 1.9 0 assign (resid 1 and name HA ) (resid 1 and name HN ) 3.5 1.9 0 assign (resid 1 and name HE3 ) (resid 1 and name HB# ) 3.5 1.9 0 assign (resid 1 and name HE3 ) (resid 1 and name HB# ) 3.5 1.9 0 assign (resid 1 and name HA ) (resid 1 and name HE3 ) 3.5 1.9 0 assign (resid 4 and name HB# ) (resid 1 and name HN ) 3.5 1.9 0 assign (resid 4 and name HB# ) (resid 4 and name HN ) 3.5 1.9 0 assign (resid 4 and name HB# ) (resid 4 and name HN ) 3.5 1.9 0 assign (resid 2 and name HB# ) (resid 2 and name HQ# ) 3.5 1.9 0 assign (resid 4 and name HB# ) (resid 1 and name HN ) 3.5 1.9 0 assign (resid 2 and name HB# ) (resid 2 and name HQ# ) 3.5 1.9 0 assign (resid 4 and name HE# ) (resid 4 and name HF# ) 3.5 1.9 0 assign (resid 3 and name HB# ) (resid 3 and name HD# ) 3.5 1.9 0 assign (resid 2 and name HA ) (resid 2 and name HD# ) 3.5 1.9 0 assign (resid 3 and name HB# ) (resid 3 and name HD# ) 3.5 1.9 0 assign (resid 3 and name HB# ) (resid 4 and name HN ) 3.5 1.9 0 assign (resid 3 and name HG# ) (resid 3 and name HA ) 3.5 1.9 0 assign (resid 3 and name HD# ) (resid 3 and name HA ) 3.5 1.9 0 assign (resid 2 and name HA ) (resid 2 and name HD# ) 3.5 1.9 0 assign (resid 3 and name HA ) (resid 4 and name HN ) 3.5 1.9 0 assign (resid 3 and name HG# ) (resid 4 and name HN ) 4.5 2.9 0 assign (resid 1 and name HD1 ) (resid 1 and name HE1 ) 4.5 2.9 1 assign (resid 4 and name HF# ) (resid 4 and name HF# ) 4.5 2.9 2 assign (resid 4 and name HD# ) (resid 4 and name HF# ) 4.5 2.9 3 assign (resid 1 and name HZ2 ) (resid 1 and name HE1 ) 4.5 2.9 4 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TRP 1 HN TRP 1 7.883 -0.793 0.280 2 HA TRP 1 HA TRP 1 6.534 1.008 -1.620 3 HB2 TRP 1 HB2 TRP 1 5.680 -1.239 -1.770 4 HB3 TRP 1 HB1 TRP 1 5.429 -1.302 -0.033 5 HD1 TRP 1 HD1 TRP 1 3.296 -0.034 0.951 6 HE1 TRP 1 HE1 TRP 1 1.143 0.834 -0.160 7 HE3 TRP 1 HE3 TRP 1 4.783 -0.198 -3.939 8 HZ2 TRP 1 HZ2 TRP 1 0.200 1.378 -2.764 9 HZ3 TRP 1 HZ3 TRP 1 3.194 0.513 -5.679 10 HH2 TRP 1 HH2 TRP 1 0.950 1.284 -5.101 11 HA B3L 2 HQ1 B3L 2 8.070 2.992 0.189 12 HAA B3L 2 HQ2 B3L 2 7.971 4.725 0.348 13 HB B3L 2 HA B3L 2 5.923 4.628 0.480 14 HN B3L 2 HN B3L 2 5.956 2.803 -0.892 15 HG B3L 2 HB1 B3L 2 5.246 2.512 2.478 16 HGA B3L 2 HB2 B3L 2 4.309 3.892 1.930 17 HD B3L 2 HG B3L 2 6.707 4.852 3.121 18 H3E2 B3L 2 HD13 B3L 2 5.017 6.345 3.312 19 H2E2 B3L 2 HD11 B3L 2 4.786 5.548 4.868 20 H1E2 B3L 2 HD12 B3L 2 3.781 5.098 3.489 21 H3E1 B3L 2 HD22 B3L 2 7.137 3.177 4.576 22 H2E1 B3L 2 HD23 B3L 2 5.497 2.530 4.491 23 H1E1 B3L 2 HD21 B3L 2 5.841 3.935 5.501 24 HA PRO 3 HA PRO 3 11.093 3.099 2.793 25 HB2 PRO 3 HB2 PRO 3 11.192 0.414 3.471 26 HB3 PRO 3 HB1 PRO 3 10.887 1.721 4.616 27 HG2 PRO 3 HG2 PRO 3 9.082 -0.328 3.785 28 HG3 PRO 3 HG1 PRO 3 8.757 1.023 4.882 29 HD2 PRO 3 HD2 PRO 3 8.134 0.741 1.998 30 HD3 PRO 3 HD1 PRO 3 7.325 1.719 3.242 31 HN UVR 4 HN UVR 4 9.787 0.031 1.673 32 HA UVR 4 HA UVR 4 11.034 0.372 -0.960 33 HB1 UVR 4 HB1 UVR 4 11.377 -1.859 -0.570 34 HB2 UVR 4 HB2 UVR 4 9.779 -1.944 -1.292 35 HG1 UVR 4 HG1 UVR 4 9.246 -3.170 0.487 36 HG2 UVR 4 HG2 UVR 4 9.174 -1.637 1.351 37 HD1 UVR 4 HD1 UVR 4 11.432 -1.892 2.123 38 HD2 UVR 4 HD2 UVR 4 11.659 -3.324 1.117 39 HE1 UVR 4 HE1 UVR 4 9.593 -3.155 3.301 40 HE2 UVR 4 HE2 UVR 4 11.228 -3.765 3.562 41 HF1 UVR 4 HF1 UVR 4 9.698 -4.924 1.301 42 HF2 UVR 4 HF2 UVR 4 9.189 -5.368 2.936 43 HY1 UVR 4 HY1 UVR 4 12.074 -5.313 0.605 44 HY2 UVR 4 HY2 UVR 4 11.683 -7.041 0.649 45 HZ1 UVR 4 HZ1 UVR 4 14.208 -6.571 0.892 46 HZ2 UVR 4 HZ2 UVR 4 13.611 -7.337 2.339 47 HZ3 UVR 4 HZ3 UVR 4 14.019 -5.664 2.076 Start of MODEL 2 1 H1 TRP 1 HN TRP 1 7.736 -0.884 0.110 2 HA TRP 1 HA TRP 1 6.485 1.040 -1.731 3 HB2 TRP 1 HB2 TRP 1 5.578 -1.543 -0.541 4 HB3 TRP 1 HB1 TRP 1 4.368 -0.287 -0.784 5 HD1 TRP 1 HD1 TRP 1 6.532 -2.764 -2.679 6 HE1 TRP 1 HE1 TRP 1 5.818 -2.785 -5.152 7 HE3 TRP 1 HE3 TRP 1 3.362 1.248 -2.644 8 HZ2 TRP 1 HZ2 TRP 1 4.133 -1.299 -6.861 9 HZ3 TRP 1 HZ3 TRP 1 2.240 1.882 -4.740 10 HH2 TRP 1 HH2 TRP 1 2.619 0.634 -6.804 11 HA B3L 2 HQ1 B3L 2 7.708 4.891 0.539 12 HAA B3L 2 HQ2 B3L 2 7.589 4.787 2.277 13 HB B3L 2 HA B3L 2 5.705 4.440 0.889 14 HN B3L 2 HN B3L 2 6.193 2.904 -0.793 15 HG B3L 2 HB1 B3L 2 6.180 2.358 2.993 16 HGA B3L 2 HB2 B3L 2 4.608 2.557 2.248 17 HD B3L 2 HG B3L 2 6.073 4.779 3.670 18 H3E2 B3L 2 HD13 B3L 2 4.305 6.098 3.229 19 H2E2 B3L 2 HD11 B3L 2 3.146 4.778 3.385 20 H1E2 B3L 2 HD12 B3L 2 4.055 4.981 1.888 21 H3E1 B3L 2 HD22 B3L 2 5.235 2.602 4.960 22 H2E1 B3L 2 HD23 B3L 2 3.705 3.476 4.879 23 H1E1 B3L 2 HD21 B3L 2 5.108 4.222 5.646 24 HA PRO 3 HA PRO 3 11.412 3.198 2.715 25 HB2 PRO 3 HB2 PRO 3 10.571 0.551 3.762 26 HB3 PRO 3 HB1 PRO 3 11.627 1.764 4.494 27 HG2 PRO 3 HG2 PRO 3 9.158 1.388 5.414 28 HG3 PRO 3 HG1 PRO 3 9.847 3.019 5.298 29 HD2 PRO 3 HD2 PRO 3 7.886 1.658 3.490 30 HD3 PRO 3 HD1 PRO 3 7.905 3.338 4.069 31 HN UVR 4 HN UVR 4 9.238 0.656 1.644 32 HA UVR 4 HA UVR 4 10.936 0.327 -0.725 33 HB1 UVR 4 HB1 UVR 4 9.521 -1.978 -0.805 34 HB2 UVR 4 HB2 UVR 4 9.681 -1.788 0.935 35 HG1 UVR 4 HG1 UVR 4 11.910 -1.945 -1.081 36 HG2 UVR 4 HG2 UVR 4 11.471 -3.159 0.122 37 HD1 UVR 4 HD1 UVR 4 11.959 -1.438 1.889 38 HD2 UVR 4 HD2 UVR 4 12.623 -0.420 0.611 39 HE1 UVR 4 HE1 UVR 4 14.568 -1.474 0.803 40 HE2 UVR 4 HE2 UVR 4 13.785 -2.978 0.314 41 HF1 UVR 4 HF1 UVR 4 13.533 -3.712 2.483 42 HF2 UVR 4 HF2 UVR 4 13.540 -2.072 3.148 43 HY1 UVR 4 HY1 UVR 4 17.010 -3.610 3.970 44 HY2 UVR 4 HY2 UVR 4 15.764 -4.798 3.548 45 HZ1 UVR 4 HZ1 UVR 4 15.595 -3.922 5.983 46 HZ2 UVR 4 HZ2 UVR 4 14.146 -3.543 5.093 47 HZ3 UVR 4 HZ3 UVR 4 15.458 -2.491 5.544 Start of MODEL 3 1 H1 TRP 1 HN TRP 1 7.941 -0.404 0.685 2 HA TRP 1 HA TRP 1 6.327 0.080 -1.665 3 HB2 TRP 1 HB2 TRP 1 5.826 -1.416 0.479 4 HB3 TRP 1 HB1 TRP 1 5.128 0.087 1.066 5 HD1 TRP 1 HD1 TRP 1 2.977 1.042 -0.263 6 HE1 TRP 1 HE1 TRP 1 1.237 -0.150 -1.737 7 HE3 TRP 1 HE3 TRP 1 5.525 -3.295 -1.182 8 HZ2 TRP 1 HZ2 TRP 1 0.978 -2.604 -3.108 9 HZ3 TRP 1 HZ3 TRP 1 4.459 -5.014 -2.583 10 HH2 TRP 1 HH2 TRP 1 2.232 -4.674 -3.526 11 HA B3L 2 HQ1 B3L 2 7.159 5.125 2.363 12 HAA B3L 2 HQ2 B3L 2 6.994 3.563 3.147 13 HB B3L 2 HA B3L 2 6.061 4.260 0.294 14 HN B3L 2 HN B3L 2 5.957 1.594 1.512 15 HG B3L 2 HB1 B3L 2 5.387 3.806 3.169 16 HGA B3L 2 HB2 B3L 2 4.156 3.610 1.947 17 HD B3L 2 HG B3L 2 5.621 6.133 1.696 18 H3E2 B3L 2 HD13 B3L 2 3.152 6.902 1.773 19 H2E2 B3L 2 HD11 B3L 2 2.788 5.180 1.662 20 H1E2 B3L 2 HD12 B3L 2 3.721 5.967 0.389 21 H3E1 B3L 2 HD22 B3L 2 3.709 6.175 3.944 22 H2E1 B3L 2 HD23 B3L 2 5.172 7.122 3.677 23 H1E1 B3L 2 HD21 B3L 2 5.290 5.467 4.276 24 HA PRO 3 HA PRO 3 11.147 3.145 2.689 25 HB2 PRO 3 HB2 PRO 3 11.287 0.484 3.368 26 HB3 PRO 3 HB1 PRO 3 11.037 1.788 4.529 27 HG2 PRO 3 HG2 PRO 3 9.196 -0.274 3.746 28 HG3 PRO 3 HG1 PRO 3 8.963 1.007 4.945 29 HD2 PRO 3 HD2 PRO 3 8.043 0.867 2.146 30 HD3 PRO 3 HD1 PRO 3 7.423 1.840 3.493 31 HN UVR 4 HN UVR 4 9.725 0.094 1.648 32 HA UVR 4 HA UVR 4 10.976 0.382 -0.995 33 HB1 UVR 4 HB1 UVR 4 9.584 -2.126 -0.619 34 HB2 UVR 4 HB2 UVR 4 10.758 -1.876 0.666 35 HG1 UVR 4 HG1 UVR 4 11.693 -3.124 -1.220 36 HG2 UVR 4 HG2 UVR 4 12.527 -1.591 -0.961 37 HD1 UVR 4 HD1 UVR 4 10.566 -0.878 -2.725 38 HD2 UVR 4 HD2 UVR 4 10.957 -2.515 -3.253 39 HE1 UVR 4 HE1 UVR 4 12.475 -1.292 -4.470 40 HE2 UVR 4 HE2 UVR 4 13.427 -1.673 -3.033 41 HF1 UVR 4 HF1 UVR 4 13.761 0.639 -3.472 42 HF2 UVR 4 HF2 UVR 4 12.666 0.545 -2.085 43 HY1 UVR 4 HY1 UVR 4 11.992 2.886 -2.688 44 HY2 UVR 4 HY2 UVR 4 10.582 2.936 -3.759 45 HZ1 UVR 4 HZ1 UVR 4 11.884 3.791 -5.539 46 HZ2 UVR 4 HZ2 UVR 4 13.324 2.925 -5.079 47 HZ3 UVR 4 HZ3 UVR 4 12.692 4.415 -4.435 Start of MODEL 4 1 H1 TRP 1 HN TRP 1 7.955 -0.434 0.679 2 HA TRP 1 HA TRP 1 6.321 0.093 -1.643 3 HB2 TRP 1 HB2 TRP 1 5.454 -0.098 1.248 4 HB3 TRP 1 HB1 TRP 1 4.430 -0.237 -0.177 5 HD1 TRP 1 HD1 TRP 1 6.983 -2.200 1.885 6 HE1 TRP 1 HE1 TRP 1 6.835 -4.684 1.229 7 HE3 TRP 1 HE3 TRP 1 3.797 -1.801 -2.094 8 HZ2 TRP 1 HZ2 TRP 1 5.541 -6.265 -0.718 9 HZ3 TRP 1 HZ3 TRP 1 3.155 -3.847 -3.300 10 HH2 TRP 1 HH2 TRP 1 4.009 -6.032 -2.625 11 HA B3L 2 HQ1 B3L 2 7.159 5.131 2.362 12 HAA B3L 2 HQ2 B3L 2 6.985 3.572 3.150 13 HB B3L 2 HA B3L 2 6.015 4.295 0.325 14 HN B3L 2 HN B3L 2 5.846 1.620 1.505 15 HG B3L 2 HB1 B3L 2 4.210 4.454 1.715 16 HGA B3L 2 HB2 B3L 2 5.499 4.926 2.798 17 HD B3L 2 HG B3L 2 5.485 2.351 3.408 18 H3E2 B3L 2 HD13 B3L 2 4.048 2.843 5.259 19 H2E2 B3L 2 HD11 B3L 2 3.315 4.192 4.392 20 H1E2 B3L 2 HD12 B3L 2 5.001 4.282 4.897 21 H3E1 B3L 2 HD22 B3L 2 2.573 2.580 2.946 22 H2E1 B3L 2 HD23 B3L 2 3.616 1.157 2.950 23 H1E1 B3L 2 HD21 B3L 2 3.577 2.218 1.542 24 HA PRO 3 HA PRO 3 11.127 3.143 2.677 25 HB2 PRO 3 HB2 PRO 3 11.279 0.492 3.375 26 HB3 PRO 3 HB1 PRO 3 10.997 1.799 4.527 27 HG2 PRO 3 HG2 PRO 3 9.188 -0.284 3.709 28 HG3 PRO 3 HG1 PRO 3 8.933 0.980 4.920 29 HD2 PRO 3 HD2 PRO 3 8.027 0.858 2.119 30 HD3 PRO 3 HD1 PRO 3 7.406 1.828 3.467 31 HN UVR 4 HN UVR 4 9.743 0.072 1.650 32 HA UVR 4 HA UVR 4 10.990 0.355 -0.994 33 HB1 UVR 4 HB1 UVR 4 9.628 -2.130 -0.785 34 HB2 UVR 4 HB2 UVR 4 10.569 -1.930 0.687 35 HG1 UVR 4 HG1 UVR 4 12.150 -2.917 -0.588 36 HG2 UVR 4 HG2 UVR 4 12.440 -1.246 -1.077 37 HD1 UVR 4 HD1 UVR 4 10.654 -3.186 -2.543 38 HD2 UVR 4 HD2 UVR 4 12.317 -2.807 -2.994 39 HE1 UVR 4 HE1 UVR 4 11.630 -0.406 -3.181 40 HE2 UVR 4 HE2 UVR 4 9.961 -0.930 -2.951 41 HF1 UVR 4 HF1 UVR 4 9.806 -1.369 -5.129 42 HF2 UVR 4 HF2 UVR 4 11.101 -2.564 -4.975 43 HY1 UVR 4 HY1 UVR 4 12.321 1.427 -5.603 44 HY2 UVR 4 HY2 UVR 4 10.693 1.126 -4.971 45 HZ1 UVR 4 HZ1 UVR 4 9.863 1.578 -7.108 46 HZ2 UVR 4 HZ2 UVR 4 10.842 0.319 -7.809 47 HZ3 UVR 4 HZ3 UVR 4 11.221 2.005 -7.591 Start of MODEL 5 1 H1 TRP 1 HN TRP 1 7.942 -0.785 0.322 2 HA TRP 1 HA TRP 1 6.414 0.823 -1.616 3 HB2 TRP 1 HB2 TRP 1 5.819 -1.624 -0.041 4 HB3 TRP 1 HB1 TRP 1 4.494 -0.486 -0.264 5 HD1 TRP 1 HD1 TRP 1 6.676 -2.952 -2.182 6 HE1 TRP 1 HE1 TRP 1 5.662 -3.315 -4.519 7 HE3 TRP 1 HE3 TRP 1 3.082 0.683 -2.081 8 HZ2 TRP 1 HZ2 TRP 1 3.609 -2.207 -6.110 9 HZ3 TRP 1 HZ3 TRP 1 1.635 0.967 -4.052 10 HH2 TRP 1 HH2 TRP 1 1.895 -0.450 -6.024 11 HA B3L 2 HQ1 B3L 2 8.150 2.961 0.211 12 HAA B3L 2 HQ2 B3L 2 8.075 4.700 0.341 13 HB B3L 2 HA B3L 2 6.025 4.636 0.386 14 HN B3L 2 HN B3L 2 6.111 2.782 -0.944 15 HG B3L 2 HB1 B3L 2 5.248 2.585 2.421 16 HGA B3L 2 HB2 B3L 2 4.334 3.939 1.778 17 HD B3L 2 HG B3L 2 6.688 4.939 3.033 18 H3E2 B3L 2 HD13 B3L 2 5.007 6.454 3.072 19 H2E2 B3L 2 HD11 B3L 2 4.689 5.731 4.649 20 H1E2 B3L 2 HD12 B3L 2 3.751 5.227 3.242 21 H3E1 B3L 2 HD22 B3L 2 7.026 3.328 4.582 22 H2E1 B3L 2 HD23 B3L 2 5.385 2.695 4.447 23 H1E1 B3L 2 HD21 B3L 2 5.697 4.141 5.407 24 HA PRO 3 HA PRO 3 11.082 3.040 2.879 25 HB2 PRO 3 HB2 PRO 3 11.148 0.338 3.453 26 HB3 PRO 3 HB1 PRO 3 10.812 1.594 4.644 27 HG2 PRO 3 HG2 PRO 3 9.026 -0.411 3.654 28 HG3 PRO 3 HG1 PRO 3 8.682 0.868 4.828 29 HD2 PRO 3 HD2 PRO 3 8.098 0.766 1.926 30 HD3 PRO 3 HD1 PRO 3 7.293 1.689 3.212 31 HN UVR 4 HN UVR 4 9.762 0.033 1.615 32 HA UVR 4 HA UVR 4 10.995 0.524 -1.004 33 HB1 UVR 4 HB1 UVR 4 9.676 -1.891 -1.215 34 HB2 UVR 4 HB2 UVR 4 10.280 -1.928 0.437 35 HG1 UVR 4 HG1 UVR 4 12.142 -2.743 -0.483 36 HG2 UVR 4 HG2 UVR 4 12.474 -1.064 -0.915 37 HD1 UVR 4 HD1 UVR 4 12.659 -1.907 -2.998 38 HD2 UVR 4 HD2 UVR 4 10.898 -1.791 -2.981 39 HE1 UVR 4 HE1 UVR 4 10.623 -4.024 -2.921 40 HE2 UVR 4 HE2 UVR 4 11.979 -4.259 -1.816 41 HF1 UVR 4 HF1 UVR 4 12.381 -3.575 -4.718 42 HF2 UVR 4 HF2 UVR 4 12.227 -5.244 -4.150 43 HY1 UVR 4 HY1 UVR 4 14.897 -6.017 -2.783 44 HY2 UVR 4 HY2 UVR 4 13.616 -5.402 -1.724 45 HZ1 UVR 4 HZ1 UVR 4 16.205 -3.821 -2.072 46 HZ2 UVR 4 HZ2 UVR 4 16.041 -5.003 -0.804 47 HZ3 UVR 4 HZ3 UVR 4 15.163 -3.517 -1.032 Start of MODEL 6 1 H1 TRP 1 HN TRP 1 7.958 -0.450 0.673 2 HA TRP 1 HA TRP 1 6.317 0.106 -1.638 3 HB2 TRP 1 HB2 TRP 1 5.702 -0.370 1.278 4 HB3 TRP 1 HB1 TRP 1 4.456 0.082 0.118 5 HD1 TRP 1 HD1 TRP 1 6.565 -2.853 1.247 6 HE1 TRP 1 HE1 TRP 1 5.788 -4.977 0.020 7 HE3 TRP 1 HE3 TRP 1 3.420 -0.712 -2.170 8 HZ2 TRP 1 HZ2 TRP 1 4.068 -5.655 -2.114 9 HZ3 TRP 1 HZ3 TRP 1 2.248 -2.170 -3.768 10 HH2 TRP 1 HH2 TRP 1 2.566 -4.590 -3.740 11 HA B3L 2 HQ1 B3L 2 7.148 5.123 2.391 12 HAA B3L 2 HQ2 B3L 2 6.977 3.552 3.157 13 HB B3L 2 HA B3L 2 6.003 4.310 0.342 14 HN B3L 2 HN B3L 2 5.790 1.627 1.494 15 HG B3L 2 HB1 B3L 2 4.200 4.455 1.739 16 HGA B3L 2 HB2 B3L 2 5.491 4.922 2.819 17 HD B3L 2 HG B3L 2 5.455 2.293 3.342 18 H3E2 B3L 2 HD13 B3L 2 3.746 4.487 4.471 19 H2E2 B3L 2 HD11 B3L 2 5.263 3.839 5.094 20 H1E2 B3L 2 HD12 B3L 2 3.790 2.873 5.179 21 H3E1 B3L 2 HD22 B3L 2 3.769 1.383 2.137 22 H2E1 B3L 2 HD23 B3L 2 2.884 2.903 2.018 23 H1E1 B3L 2 HD21 B3L 2 2.805 1.950 3.500 24 HA PRO 3 HA PRO 3 11.119 3.144 2.671 25 HB2 PRO 3 HB2 PRO 3 11.264 0.484 3.362 26 HB3 PRO 3 HB1 PRO 3 11.004 1.793 4.515 27 HG2 PRO 3 HG2 PRO 3 9.174 -0.278 3.738 28 HG3 PRO 3 HG1 PRO 3 8.926 1.014 4.920 29 HD2 PRO 3 HD2 PRO 3 8.042 0.844 2.108 30 HD3 PRO 3 HD1 PRO 3 7.391 1.814 3.441 31 HN UVR 4 HN UVR 4 9.755 0.062 1.653 32 HA UVR 4 HA UVR 4 10.995 0.340 -0.995 33 HB1 UVR 4 HB1 UVR 4 9.586 -2.145 -0.676 34 HB2 UVR 4 HB2 UVR 4 10.677 -1.920 0.685 35 HG1 UVR 4 HG1 UVR 4 11.736 -3.163 -1.122 36 HG2 UVR 4 HG2 UVR 4 12.548 -1.622 -0.839 37 HD1 UVR 4 HD1 UVR 4 10.391 -1.522 -2.827 38 HD2 UVR 4 HD2 UVR 4 11.762 -2.537 -3.279 39 HE1 UVR 4 HE1 UVR 4 13.082 -0.771 -3.638 40 HE2 UVR 4 HE2 UVR 4 12.591 0.002 -2.129 41 HF1 UVR 4 HF1 UVR 4 10.347 0.314 -3.638 42 HF2 UVR 4 HF2 UVR 4 11.612 0.418 -4.870 43 HY1 UVR 4 HY1 UVR 4 11.734 3.746 -4.474 44 HY2 UVR 4 HY2 UVR 4 12.578 2.396 -5.253 45 HZ1 UVR 4 HZ1 UVR 4 13.662 3.597 -2.663 46 HZ2 UVR 4 HZ2 UVR 4 14.185 4.187 -4.216 47 HZ3 UVR 4 HZ3 UVR 4 14.414 2.610 -3.512 Start of MODEL 7 1 H1 TRP 1 HN TRP 1 7.948 -0.382 0.692 2 HA TRP 1 HA TRP 1 6.334 0.084 -1.663 3 HB2 TRP 1 HB2 TRP 1 5.555 -1.532 -0.020 4 HB3 TRP 1 HB1 TRP 1 5.564 -0.300 1.238 5 HD1 TRP 1 HD1 TRP 1 3.353 0.977 1.591 6 HE1 TRP 1 HE1 TRP 1 1.112 1.132 0.332 7 HE3 TRP 1 HE3 TRP 1 4.610 -1.636 -2.612 8 HZ2 TRP 1 HZ2 TRP 1 0.022 0.257 -2.123 9 HZ3 TRP 1 HZ3 TRP 1 2.912 -1.935 -4.370 10 HH2 TRP 1 HH2 TRP 1 0.665 -1.008 -4.128 11 HA B3L 2 HQ1 B3L 2 7.184 5.144 2.313 12 HAA B3L 2 HQ2 B3L 2 7.012 3.605 3.140 13 HB B3L 2 HA B3L 2 6.041 4.258 0.299 14 HN B3L 2 HN B3L 2 5.973 1.591 1.518 15 HG B3L 2 HB1 B3L 2 4.205 4.393 1.680 16 HGA B3L 2 HB2 B3L 2 5.487 5.009 2.692 17 HD B3L 2 HG B3L 2 5.254 2.178 3.119 18 H3E2 B3L 2 HD13 B3L 2 4.245 4.003 5.176 19 H2E2 B3L 2 HD11 B3L 2 5.853 4.400 4.569 20 H1E2 B3L 2 HD12 B3L 2 5.537 2.804 5.251 21 H3E1 B3L 2 HD22 B3L 2 2.697 3.578 3.783 22 H2E1 B3L 2 HD23 B3L 2 3.040 1.849 3.704 23 H1E1 B3L 2 HD21 B3L 2 2.903 2.790 2.218 24 HA PRO 3 HA PRO 3 11.147 3.147 2.689 25 HB2 PRO 3 HB2 PRO 3 11.251 0.472 3.377 26 HB3 PRO 3 HB1 PRO 3 11.055 1.793 4.529 27 HG2 PRO 3 HG2 PRO 3 9.157 -0.232 3.830 28 HG3 PRO 3 HG1 PRO 3 8.957 1.101 4.976 29 HD2 PRO 3 HD2 PRO 3 8.035 0.869 2.180 30 HD3 PRO 3 HD1 PRO 3 7.414 1.882 3.497 31 HN UVR 4 HN UVR 4 9.706 0.103 1.647 32 HA UVR 4 HA UVR 4 10.982 0.376 -0.988 33 HB1 UVR 4 HB1 UVR 4 9.544 -2.128 -0.436 34 HB2 UVR 4 HB2 UVR 4 10.920 -1.853 0.621 35 HG1 UVR 4 HG1 UVR 4 12.420 -2.174 -1.023 36 HG2 UVR 4 HG2 UVR 4 11.414 -1.390 -2.242 37 HD1 UVR 4 HD1 UVR 4 10.817 -4.118 -1.117 38 HD2 UVR 4 HD2 UVR 4 11.792 -3.863 -2.566 39 HE1 UVR 4 HE1 UVR 4 9.042 -2.689 -2.305 40 HE2 UVR 4 HE2 UVR 4 9.285 -4.345 -2.864 41 HF1 UVR 4 HF1 UVR 4 10.904 -3.343 -4.574 42 HF2 UVR 4 HF2 UVR 4 10.187 -1.782 -4.149 43 HY1 UVR 4 HY1 UVR 4 7.557 -4.609 -5.959 44 HY2 UVR 4 HY2 UVR 4 7.850 -4.817 -4.225 45 HZ1 UVR 4 HZ1 UVR 4 10.056 -5.263 -6.303 46 HZ2 UVR 4 HZ2 UVR 4 9.134 -6.570 -5.614 47 HZ3 UVR 4 HZ3 UVR 4 10.263 -5.499 -4.832 Start of MODEL 8 1 H1 TRP 1 HN TRP 1 7.737 -0.871 0.130 2 HA TRP 1 HA TRP 1 6.509 1.060 -1.718 3 HB2 TRP 1 HB2 TRP 1 4.622 -0.247 -1.844 4 HB3 TRP 1 HB1 TRP 1 5.822 -1.508 -1.586 5 HD1 TRP 1 HD1 TRP 1 5.372 -3.102 0.400 6 HE1 TRP 1 HE1 TRP 1 3.728 -3.122 2.384 7 HE3 TRP 1 HE3 TRP 1 3.361 1.548 -0.184 8 HZ2 TRP 1 HZ2 TRP 1 1.823 -1.384 3.545 9 HZ3 TRP 1 HZ3 TRP 1 1.631 2.301 1.401 10 HH2 TRP 1 HH2 TRP 1 0.880 0.863 3.227 11 HA B3L 2 HQ1 B3L 2 7.695 4.910 0.572 12 HAA B3L 2 HQ2 B3L 2 7.570 4.774 2.308 13 HB B3L 2 HA B3L 2 5.695 4.448 0.883 14 HN B3L 2 HN B3L 2 6.190 2.912 -0.790 15 HG B3L 2 HB1 B3L 2 6.215 2.538 3.097 16 HGA B3L 2 HB2 B3L 2 4.701 2.393 2.230 17 HD B3L 2 HG B3L 2 4.836 5.095 2.773 18 H3E2 B3L 2 HD13 B3L 2 2.776 4.210 3.094 19 H2E2 B3L 2 HD11 B3L 2 3.296 4.265 4.778 20 H1E2 B3L 2 HD12 B3L 2 3.397 2.755 3.872 21 H3E1 B3L 2 HD22 B3L 2 5.249 5.097 5.267 22 H2E1 B3L 2 HD23 B3L 2 6.680 4.979 4.243 23 H1E1 B3L 2 HD21 B3L 2 6.048 3.541 5.044 24 HA PRO 3 HA PRO 3 11.403 3.202 2.707 25 HB2 PRO 3 HB2 PRO 3 10.603 0.542 3.743 26 HB3 PRO 3 HB1 PRO 3 11.636 1.770 4.480 27 HG2 PRO 3 HG2 PRO 3 9.168 1.335 5.390 28 HG3 PRO 3 HG1 PRO 3 9.838 2.975 5.310 29 HD2 PRO 3 HD2 PRO 3 7.888 1.630 3.479 30 HD3 PRO 3 HD1 PRO 3 7.902 3.302 4.079 31 HN UVR 4 HN UVR 4 9.250 0.634 1.648 32 HA UVR 4 HA UVR 4 10.944 0.302 -0.726 33 HB1 UVR 4 HB1 UVR 4 9.843 -2.003 -0.952 34 HB2 UVR 4 HB2 UVR 4 9.380 -1.826 0.735 35 HG1 UVR 4 HG1 UVR 4 11.940 -1.341 1.053 36 HG2 UVR 4 HG2 UVR 4 12.068 -2.238 -0.462 37 HD1 UVR 4 HD1 UVR 4 10.562 -3.274 1.929 38 HD2 UVR 4 HD2 UVR 4 12.275 -3.603 1.657 39 HE1 UVR 4 HE1 UVR 4 11.840 -5.150 0.103 40 HE2 UVR 4 HE2 UVR 4 10.640 -4.131 -0.693 41 HF1 UVR 4 HF1 UVR 4 9.279 -5.821 0.036 42 HF2 UVR 4 HF2 UVR 4 9.215 -4.764 1.452 43 HY1 UVR 4 HY1 UVR 4 10.747 -8.586 1.937 44 HY2 UVR 4 HY2 UVR 4 11.246 -7.960 0.356 45 HZ1 UVR 4 HZ1 UVR 4 8.709 -9.180 0.981 46 HZ2 UVR 4 HZ2 UVR 4 9.065 -8.343 -0.505 47 HZ3 UVR 4 HZ3 UVR 4 8.309 -7.732 0.940 Start of MODEL 9 1 H1 TRP 1 HN TRP 1 7.972 -0.750 0.368 2 HA TRP 1 HA TRP 1 6.374 0.746 -1.600 3 HB2 TRP 1 HB2 TRP 1 5.303 -1.170 0.471 4 HB3 TRP 1 HB1 TRP 1 4.511 -0.599 -0.994 5 HD1 TRP 1 HD1 TRP 1 7.128 -3.117 0.209 6 HE1 TRP 1 HE1 TRP 1 7.547 -4.827 -1.668 7 HE3 TRP 1 HE3 TRP 1 4.427 -0.904 -3.526 8 HZ2 TRP 1 HZ2 TRP 1 6.827 -5.191 -4.374 9 HZ3 TRP 1 HZ3 TRP 1 4.344 -1.997 -5.728 10 HH2 TRP 1 HH2 TRP 1 5.520 -4.096 -6.142 11 HA B3L 2 HQ1 B3L 2 8.183 2.928 0.221 12 HAA B3L 2 HQ2 B3L 2 8.131 4.669 0.319 13 HB B3L 2 HA B3L 2 6.081 4.635 0.325 14 HN B3L 2 HN B3L 2 6.185 2.752 -0.968 15 HG B3L 2 HB1 B3L 2 5.239 2.636 2.387 16 HGA B3L 2 HB2 B3L 2 4.353 3.986 1.696 17 HD B3L 2 HG B3L 2 6.697 4.984 2.975 18 H3E2 B3L 2 HD13 B3L 2 4.013 5.308 4.208 19 H2E2 B3L 2 HD11 B3L 2 4.222 5.866 2.548 20 H1E2 B3L 2 HD12 B3L 2 5.243 6.514 3.831 21 H3E1 B3L 2 HD22 B3L 2 6.938 3.272 4.484 22 H2E1 B3L 2 HD23 B3L 2 5.218 2.880 4.489 23 H1E1 B3L 2 HD21 B3L 2 5.801 4.303 5.352 24 HA PRO 3 HA PRO 3 11.074 3.008 2.923 25 HB2 PRO 3 HB2 PRO 3 11.116 0.293 3.441 26 HB3 PRO 3 HB1 PRO 3 10.777 1.528 4.655 27 HG2 PRO 3 HG2 PRO 3 8.987 -0.443 3.604 28 HG3 PRO 3 HG1 PRO 3 8.643 0.810 4.806 29 HD2 PRO 3 HD2 PRO 3 8.074 0.779 1.902 30 HD3 PRO 3 HD1 PRO 3 7.275 1.684 3.204 31 HN UVR 4 HN UVR 4 9.737 0.042 1.583 32 HA UVR 4 HA UVR 4 10.970 0.614 -1.021 33 HB1 UVR 4 HB1 UVR 4 9.890 -1.802 -1.437 34 HB2 UVR 4 HB2 UVR 4 10.155 -1.928 0.297 35 HG1 UVR 4 HG1 UVR 4 12.313 -1.158 -1.649 36 HG2 UVR 4 HG2 UVR 4 11.997 -2.821 -1.147 37 HD1 UVR 4 HD1 UVR 4 12.174 -1.784 1.263 38 HD2 UVR 4 HD2 UVR 4 13.102 -0.540 0.422 39 HE1 UVR 4 HE1 UVR 4 13.677 -3.497 0.278 40 HE2 UVR 4 HE2 UVR 4 14.511 -2.361 1.342 41 HF1 UVR 4 HF1 UVR 4 15.718 -1.453 -0.353 42 HF2 UVR 4 HF2 UVR 4 14.407 -1.638 -1.526 43 HY1 UVR 4 HY1 UVR 4 14.006 -4.751 -1.516 44 HY2 UVR 4 HY2 UVR 4 15.469 -5.141 -2.437 45 HZ1 UVR 4 HZ1 UVR 4 13.310 -4.013 -3.672 46 HZ2 UVR 4 HZ2 UVR 4 14.896 -3.472 -4.145 47 HZ3 UVR 4 HZ3 UVR 4 13.745 -2.695 -3.094 Start of MODEL 10 1 H1 TRP 1 HN TRP 1 7.851 -0.350 0.655 2 HA TRP 1 HA TRP 1 6.269 -0.010 -1.760 3 HB2 TRP 1 HB2 TRP 1 5.754 -0.926 1.018 4 HB3 TRP 1 HB1 TRP 1 4.410 -0.162 0.176 5 HD1 TRP 1 HD1 TRP 1 6.567 -3.307 0.149 6 HE1 TRP 1 HE1 TRP 1 5.476 -5.049 -1.399 7 HE3 TRP 1 HE3 TRP 1 2.908 -0.388 -1.912 8 HZ2 TRP 1 HZ2 TRP 1 3.347 -5.172 -3.248 9 HZ3 TRP 1 HZ3 TRP 1 1.387 -1.396 -3.563 10 HH2 TRP 1 HH2 TRP 1 1.604 -3.738 -4.217 11 HA B3L 2 HQ1 B3L 2 7.270 5.118 2.135 12 HAA B3L 2 HQ2 B3L 2 7.047 3.638 3.055 13 HB B3L 2 HA B3L 2 6.268 4.082 0.106 14 HN B3L 2 HN B3L 2 6.507 1.503 1.404 15 HG B3L 2 HB1 B3L 2 4.481 4.639 1.312 16 HGA B3L 2 HB2 B3L 2 5.651 4.909 2.567 17 HD B3L 2 HG B3L 2 4.264 3.718 3.822 18 H3E2 B3L 2 HD13 B3L 2 3.159 2.385 1.360 19 H2E2 B3L 2 HD11 B3L 2 2.508 3.827 2.141 20 H1E2 B3L 2 HD12 B3L 2 2.490 2.281 2.989 21 H3E1 B3L 2 HD22 B3L 2 4.871 1.161 2.460 22 H2E1 B3L 2 HD23 B3L 2 4.887 1.570 4.175 23 H1E1 B3L 2 HD21 B3L 2 6.207 2.080 3.134 24 HA PRO 3 HA PRO 3 11.281 3.221 2.724 25 HB2 PRO 3 HB2 PRO 3 11.601 0.775 3.729 26 HB3 PRO 3 HB1 PRO 3 10.947 2.077 4.732 27 HG2 PRO 3 HG2 PRO 3 9.529 -0.171 3.380 28 HG3 PRO 3 HG1 PRO 3 9.226 0.556 4.967 29 HD2 PRO 3 HD2 PRO 3 7.823 1.121 2.625 30 HD3 PRO 3 HD1 PRO 3 7.835 2.120 4.088 31 HN UVR 4 HN UVR 4 9.296 0.598 1.493 32 HA UVR 4 HA UVR 4 10.857 0.626 -0.966 33 HB1 UVR 4 HB1 UVR 4 9.624 -1.979 -0.321 34 HB2 UVR 4 HB2 UVR 4 11.008 -1.546 0.673 35 HG1 UVR 4 HG1 UVR 4 11.480 -1.068 -2.153 36 HG2 UVR 4 HG2 UVR 4 11.083 -2.752 -1.803 37 HD1 UVR 4 HD1 UVR 4 12.946 -1.656 0.133 38 HD2 UVR 4 HD2 UVR 4 13.564 -1.541 -1.516 39 HE1 UVR 4 HE1 UVR 4 14.223 -3.661 -1.235 40 HE2 UVR 4 HE2 UVR 4 12.523 -4.077 -1.455 41 HF1 UVR 4 HF1 UVR 4 13.453 -3.318 1.272 42 HF2 UVR 4 HF2 UVR 4 13.871 -4.921 0.649 43 HY1 UVR 4 HY1 UVR 4 11.762 -3.762 2.858 44 HY2 UVR 4 HY2 UVR 4 11.480 -5.509 2.777 45 HZ1 UVR 4 HZ1 UVR 4 9.170 -5.158 2.576 46 HZ2 UVR 4 HZ2 UVR 4 9.348 -3.833 1.459 47 HZ3 UVR 4 HZ3 UVR 4 9.399 -3.810 3.200 Start of MODEL 11 1 H1 TRP 1 HN TRP 1 7.967 -0.434 0.683 2 HA TRP 1 HA TRP 1 6.314 0.095 -1.628 3 HB2 TRP 1 HB2 TRP 1 5.900 -0.824 1.124 4 HB3 TRP 1 HB1 TRP 1 4.655 0.291 0.570 5 HD1 TRP 1 HD1 TRP 1 5.834 -3.265 0.203 6 HE1 TRP 1 HE1 TRP 1 4.238 -4.542 -1.362 7 HE3 TRP 1 HE3 TRP 1 3.118 0.681 -1.583 8 HZ2 TRP 1 HZ2 TRP 1 2.110 -3.954 -3.120 9 HZ3 TRP 1 HZ3 TRP 1 1.320 0.238 -3.204 10 HH2 TRP 1 HH2 TRP 1 0.828 -2.032 -3.956 11 HA B3L 2 HQ1 B3L 2 7.138 5.113 2.416 12 HAA B3L 2 HQ2 B3L 2 6.973 3.528 3.151 13 HB B3L 2 HA B3L 2 6.030 4.308 0.321 14 HN B3L 2 HN B3L 2 5.772 1.637 1.490 15 HG B3L 2 HB1 B3L 2 5.370 3.805 3.191 16 HGA B3L 2 HB2 B3L 2 4.129 3.647 1.973 17 HD B3L 2 HG B3L 2 5.603 6.155 1.732 18 H3E2 B3L 2 HD13 B3L 2 3.674 6.148 0.516 19 H2E2 B3L 2 HD11 B3L 2 3.086 6.888 2.005 20 H1E2 B3L 2 HD12 B3L 2 2.798 5.175 1.698 21 H3E1 B3L 2 HD22 B3L 2 4.099 6.954 3.795 22 H2E1 B3L 2 HD23 B3L 2 5.791 6.483 3.964 23 H1E1 B3L 2 HD21 B3L 2 4.513 5.333 4.354 24 HA PRO 3 HA PRO 3 11.118 3.139 2.677 25 HB2 PRO 3 HB2 PRO 3 11.274 0.486 3.366 26 HB3 PRO 3 HB1 PRO 3 10.984 1.787 4.522 27 HG2 PRO 3 HG2 PRO 3 9.183 -0.297 3.690 28 HG3 PRO 3 HG1 PRO 3 8.920 0.962 4.906 29 HD2 PRO 3 HD2 PRO 3 8.030 0.851 2.099 30 HD3 PRO 3 HD1 PRO 3 7.393 1.807 3.448 31 HN UVR 4 HN UVR 4 9.745 0.065 1.642 32 HA UVR 4 HA UVR 4 10.988 0.363 -1.002 33 HB1 UVR 4 HB1 UVR 4 11.563 -1.786 -0.264 34 HB2 UVR 4 HB2 UVR 4 10.159 -2.060 -1.286 35 HG1 UVR 4 HG1 UVR 4 8.735 -2.258 0.656 36 HG2 UVR 4 HG2 UVR 4 10.091 -1.874 1.719 37 HD1 UVR 4 HD1 UVR 4 11.010 -3.936 1.524 38 HD2 UVR 4 HD2 UVR 4 10.485 -4.128 -0.150 39 HE1 UVR 4 HE1 UVR 4 8.109 -4.290 0.866 40 HE2 UVR 4 HE2 UVR 4 8.958 -4.627 2.375 41 HF1 UVR 4 HF1 UVR 4 9.613 -6.155 -0.119 42 HF2 UVR 4 HF2 UVR 4 8.239 -6.618 0.895 43 HY1 UVR 4 HY1 UVR 4 11.842 -6.163 0.709 44 HY2 UVR 4 HY2 UVR 4 12.063 -7.706 1.552 45 HZ1 UVR 4 HZ1 UVR 4 12.726 -5.029 2.540 46 HZ2 UVR 4 HZ2 UVR 4 12.969 -6.528 3.393 47 HZ3 UVR 4 HZ3 UVR 4 11.595 -5.459 3.432 Start of MODEL 12 1 H1 TRP 1 HN TRP 1 7.958 -0.467 0.665 2 HA TRP 1 HA TRP 1 6.317 0.107 -1.637 3 HB2 TRP 1 HB2 TRP 1 5.483 -1.464 0.017 4 HB3 TRP 1 HB1 TRP 1 5.617 -0.254 1.286 5 HD1 TRP 1 HD1 TRP 1 3.736 1.651 1.372 6 HE1 TRP 1 HE1 TRP 1 1.379 1.784 0.347 7 HE3 TRP 1 HE3 TRP 1 4.118 -2.139 -2.038 8 HZ2 TRP 1 HZ2 TRP 1 -0.120 0.458 -1.646 9 HZ3 TRP 1 HZ3 TRP 1 2.178 -2.643 -3.465 10 HH2 TRP 1 HH2 TRP 1 0.102 -1.370 -3.271 11 HA B3L 2 HQ1 B3L 2 7.132 5.104 2.432 12 HAA B3L 2 HQ2 B3L 2 6.971 3.514 3.155 13 HB B3L 2 HA B3L 2 6.025 4.310 0.330 14 HN B3L 2 HN B3L 2 5.755 1.637 1.486 15 HG B3L 2 HB1 B3L 2 5.378 3.830 3.204 16 HGA B3L 2 HB2 B3L 2 4.132 3.611 2.001 17 HD B3L 2 HG B3L 2 5.622 6.163 2.603 18 H3E2 B3L 2 HD13 B3L 2 3.995 7.116 0.902 19 H2E2 B3L 2 HD11 B3L 2 3.765 5.457 0.352 20 H1E2 B3L 2 HD12 B3L 2 5.363 6.200 0.269 21 H3E1 B3L 2 HD22 B3L 2 3.504 5.124 3.899 22 H2E1 B3L 2 HD23 B3L 2 2.682 6.003 2.610 23 H1E1 B3L 2 HD21 B3L 2 3.778 6.854 3.697 24 HA PRO 3 HA PRO 3 11.118 3.142 2.670 25 HB2 PRO 3 HB2 PRO 3 11.274 0.485 3.358 26 HB3 PRO 3 HB1 PRO 3 10.995 1.788 4.515 27 HG2 PRO 3 HG2 PRO 3 9.186 -0.294 3.710 28 HG3 PRO 3 HG1 PRO 3 8.924 0.984 4.906 29 HD2 PRO 3 HD2 PRO 3 8.050 0.838 2.089 30 HD3 PRO 3 HD1 PRO 3 7.390 1.792 3.430 31 HN UVR 4 HN UVR 4 9.771 0.051 1.654 32 HA UVR 4 HA UVR 4 10.997 0.333 -0.999 33 HB1 UVR 4 HB1 UVR 4 10.640 -1.996 -1.346 34 HB2 UVR 4 HB2 UVR 4 9.575 -2.113 0.049 35 HG1 UVR 4 HG1 UVR 4 11.371 -1.930 1.563 36 HG2 UVR 4 HG2 UVR 4 12.482 -1.403 0.298 37 HD1 UVR 4 HD1 UVR 4 11.168 -4.054 -0.002 38 HD2 UVR 4 HD2 UVR 4 12.467 -3.897 1.182 39 HE1 UVR 4 HE1 UVR 4 13.831 -4.313 -0.547 40 HE2 UVR 4 HE2 UVR 4 13.533 -2.630 -0.988 41 HF1 UVR 4 HF1 UVR 4 11.610 -3.403 -2.378 42 HF2 UVR 4 HF2 UVR 4 12.097 -5.069 -2.035 43 HY1 UVR 4 HY1 UVR 4 12.807 -5.765 -4.208 44 HY2 UVR 4 HY2 UVR 4 14.513 -5.764 -3.730 45 HZ1 UVR 4 HZ1 UVR 4 13.323 -4.817 -6.285 46 HZ2 UVR 4 HZ2 UVR 4 15.009 -5.093 -5.946 47 HZ3 UVR 4 HZ3 UVR 4 14.066 -3.649 -5.698 Start of MODEL 13 1 H1 TRP 1 HN TRP 1 7.938 -0.363 0.693 2 HA TRP 1 HA TRP 1 6.331 0.056 -1.678 3 HB2 TRP 1 HB2 TRP 1 5.028 -1.338 -0.493 4 HB3 TRP 1 HB1 TRP 1 5.909 -1.023 0.995 5 HD1 TRP 1 HD1 TRP 1 4.602 0.239 2.820 6 HE1 TRP 1 HE1 TRP 1 2.381 1.536 2.913 7 HE3 TRP 1 HE3 TRP 1 3.470 0.248 -2.157 8 HZ2 TRP 1 HZ2 TRP 1 0.409 2.446 1.110 9 HZ3 TRP 1 HZ3 TRP 1 1.397 1.355 -2.897 10 HH2 TRP 1 HH2 TRP 1 -0.102 2.430 -1.294 11 HA B3L 2 HQ1 B3L 2 7.171 5.135 2.323 12 HAA B3L 2 HQ2 B3L 2 6.996 3.588 3.132 13 HB B3L 2 HA B3L 2 6.117 4.224 0.247 14 HN B3L 2 HN B3L 2 6.108 1.579 1.515 15 HG B3L 2 HB1 B3L 2 5.390 3.847 3.119 16 HGA B3L 2 HB2 B3L 2 4.180 3.612 1.883 17 HD B3L 2 HG B3L 2 5.677 6.138 1.651 18 H3E2 B3L 2 HD13 B3L 2 2.908 5.120 1.290 19 H2E2 B3L 2 HD11 B3L 2 3.923 6.057 0.193 20 H1E2 B3L 2 HD12 B3L 2 3.146 6.846 1.565 21 H3E1 B3L 2 HD22 B3L 2 5.145 5.531 4.197 22 H2E1 B3L 2 HD23 B3L 2 3.572 6.177 3.729 23 H1E1 B3L 2 HD21 B3L 2 5.019 7.170 3.558 24 HA PRO 3 HA PRO 3 11.162 3.142 2.712 25 HB2 PRO 3 HB2 PRO 3 11.310 0.498 3.404 26 HB3 PRO 3 HB1 PRO 3 11.007 1.795 4.561 27 HG2 PRO 3 HG2 PRO 3 9.213 -0.288 3.677 28 HG3 PRO 3 HG1 PRO 3 8.958 0.930 4.936 29 HD2 PRO 3 HD2 PRO 3 8.019 0.902 2.151 30 HD3 PRO 3 HD1 PRO 3 7.441 1.859 3.525 31 HN UVR 4 HN UVR 4 9.679 0.129 1.629 32 HA UVR 4 HA UVR 4 10.957 0.438 -0.997 33 HB1 UVR 4 HB1 UVR 4 9.709 -2.068 0.150 34 HB2 UVR 4 HB2 UVR 4 11.433 -1.718 0.182 35 HG1 UVR 4 HG1 UVR 4 9.721 -2.115 -2.262 36 HG2 UVR 4 HG2 UVR 4 10.944 -3.219 -1.629 37 HD1 UVR 4 HD1 UVR 4 12.411 -2.210 -2.966 38 HD2 UVR 4 HD2 UVR 4 12.279 -0.797 -1.917 39 HE1 UVR 4 HE1 UVR 4 11.578 0.306 -3.727 40 HE2 UVR 4 HE2 UVR 4 10.064 -0.579 -3.542 41 HF1 UVR 4 HF1 UVR 4 10.532 -1.130 -5.707 42 HF2 UVR 4 HF2 UVR 4 11.428 -2.424 -4.897 43 HY1 UVR 4 HY1 UVR 4 14.628 -1.569 -5.899 44 HY2 UVR 4 HY2 UVR 4 13.831 -2.079 -4.402 45 HZ1 UVR 4 HZ1 UVR 4 14.541 0.858 -4.860 46 HZ2 UVR 4 HZ2 UVR 4 15.634 -0.222 -4.037 47 HZ3 UVR 4 HZ3 UVR 4 14.048 0.309 -3.549 Start of MODEL 14 1 H1 TRP 1 HN TRP 1 7.963 -0.480 0.661 2 HA TRP 1 HA TRP 1 6.309 0.103 -1.627 3 HB2 TRP 1 HB2 TRP 1 5.458 -1.455 0.013 4 HB3 TRP 1 HB1 TRP 1 5.656 -0.277 1.305 5 HD1 TRP 1 HD1 TRP 1 3.742 1.493 1.646 6 HE1 TRP 1 HE1 TRP 1 1.392 1.773 0.632 7 HE3 TRP 1 HE3 TRP 1 4.133 -1.810 -2.237 8 HZ2 TRP 1 HZ2 TRP 1 -0.098 0.732 -1.527 9 HZ3 TRP 1 HZ3 TRP 1 2.200 -2.110 -3.729 10 HH2 TRP 1 HH2 TRP 1 0.129 -0.865 -3.380 11 HA B3L 2 HQ1 B3L 2 7.132 5.106 2.435 12 HAA B3L 2 HQ2 B3L 2 6.968 3.512 3.152 13 HB B3L 2 HA B3L 2 6.028 4.316 0.326 14 HN B3L 2 HN B3L 2 5.731 1.647 1.483 15 HG B3L 2 HB1 B3L 2 5.378 3.848 3.200 16 HGA B3L 2 HB2 B3L 2 4.132 3.621 1.999 17 HD B3L 2 HG B3L 2 5.627 6.178 2.570 18 H3E2 B3L 2 HD13 B3L 2 3.792 7.007 0.886 19 H2E2 B3L 2 HD11 B3L 2 3.917 5.356 0.277 20 H1E2 B3L 2 HD12 B3L 2 5.342 6.395 0.309 21 H3E1 B3L 2 HD22 B3L 2 3.619 5.235 3.990 22 H2E1 B3L 2 HD23 B3L 2 2.671 5.871 2.647 23 H1E1 B3L 2 HD21 B3L 2 3.722 6.945 3.570 24 HA PRO 3 HA PRO 3 11.112 3.136 2.675 25 HB2 PRO 3 HB2 PRO 3 11.260 0.478 3.361 26 HB3 PRO 3 HB1 PRO 3 10.979 1.779 4.518 27 HG2 PRO 3 HG2 PRO 3 9.170 -0.299 3.705 28 HG3 PRO 3 HG1 PRO 3 8.902 0.982 4.896 29 HD2 PRO 3 HD2 PRO 3 8.051 0.833 2.072 30 HD3 PRO 3 HD1 PRO 3 7.377 1.785 3.408 31 HN UVR 4 HN UVR 4 9.773 0.045 1.651 32 HA UVR 4 HA UVR 4 10.998 0.337 -1.002 33 HB1 UVR 4 HB1 UVR 4 9.511 -2.138 -0.386 34 HB2 UVR 4 HB2 UVR 4 10.963 -1.887 0.575 35 HG1 UVR 4 HG1 UVR 4 11.490 -3.211 -1.360 36 HG2 UVR 4 HG2 UVR 4 12.261 -1.630 -1.501 37 HD1 UVR 4 HD1 UVR 4 10.176 -0.960 -2.848 38 HD2 UVR 4 HD2 UVR 4 9.874 -2.693 -2.972 39 HE1 UVR 4 HE1 UVR 4 11.198 -2.646 -4.772 40 HE2 UVR 4 HE2 UVR 4 12.537 -2.479 -3.636 41 HF1 UVR 4 HF1 UVR 4 13.009 -0.569 -4.709 42 HF2 UVR 4 HF2 UVR 4 11.600 0.105 -3.877 43 HY1 UVR 4 HY1 UVR 4 9.328 -1.268 -5.408 44 HY2 UVR 4 HY2 UVR 4 9.421 -0.485 -6.995 45 HZ1 UVR 4 HZ1 UVR 4 9.882 1.706 -5.456 46 HZ2 UVR 4 HZ2 UVR 4 8.903 0.816 -4.322 47 HZ3 UVR 4 HZ3 UVR 4 8.489 1.381 -5.919 Start of MODEL 15 1 H1 TRP 1 HN TRP 1 7.682 -0.548 0.450 2 HA TRP 1 HA TRP 1 6.291 0.460 -1.949 3 HB2 TRP 1 HB2 TRP 1 5.971 -1.912 -0.713 4 HB3 TRP 1 HB1 TRP 1 4.800 -0.946 0.171 5 HD1 TRP 1 HD1 TRP 1 2.631 -0.129 -1.141 6 HE1 TRP 1 HE1 TRP 1 1.577 -0.857 -3.373 7 HE3 TRP 1 HE3 TRP 1 6.570 -2.747 -3.084 8 HZ2 TRP 1 HZ2 TRP 1 2.317 -2.344 -5.656 9 HZ3 TRP 1 HZ3 TRP 1 6.314 -3.792 -5.297 10 HH2 TRP 1 HH2 TRP 1 4.231 -3.594 -6.555 11 HA B3L 2 HQ1 B3L 2 7.619 4.956 0.880 12 HAA B3L 2 HQ2 B3L 2 7.382 4.606 2.572 13 HB B3L 2 HA B3L 2 5.772 4.055 0.783 14 HN B3L 2 HN B3L 2 7.422 2.159 -0.174 15 HG B3L 2 HB1 B3L 2 6.237 1.929 2.879 16 HGA B3L 2 HB2 B3L 2 4.696 2.303 2.139 17 HD B3L 2 HG B3L 2 6.275 4.027 4.037 18 H3E2 B3L 2 HD13 B3L 2 5.474 5.720 2.767 19 H2E2 B3L 2 HD11 B3L 2 4.013 5.406 3.704 20 H1E2 B3L 2 HD12 B3L 2 4.178 4.741 2.079 21 H3E1 B3L 2 HD22 B3L 2 4.433 3.765 5.499 22 H2E1 B3L 2 HD23 B3L 2 4.830 2.153 4.904 23 H1E1 B3L 2 HD21 B3L 2 3.447 3.023 4.239 24 HA PRO 3 HA PRO 3 11.494 3.202 2.764 25 HB2 PRO 3 HB2 PRO 3 11.028 0.538 3.793 26 HB3 PRO 3 HB1 PRO 3 11.667 1.944 4.645 27 HG2 PRO 3 HG2 PRO 3 9.233 0.829 5.183 28 HG3 PRO 3 HG1 PRO 3 9.620 2.535 5.470 29 HD2 PRO 3 HD2 PRO 3 8.136 1.284 3.187 30 HD3 PRO 3 HD1 PRO 3 7.785 2.783 4.073 31 HN UVR 4 HN UVR 4 9.070 1.103 1.407 32 HA UVR 4 HA UVR 4 10.793 0.579 -0.861 33 HB1 UVR 4 HB1 UVR 4 9.317 -1.840 -0.089 34 HB2 UVR 4 HB2 UVR 4 10.595 -1.401 1.034 35 HG1 UVR 4 HG1 UVR 4 11.700 -1.146 -1.531 36 HG2 UVR 4 HG2 UVR 4 10.783 -2.653 -1.536 37 HD1 UVR 4 HD1 UVR 4 12.203 -3.669 -0.121 38 HD2 UVR 4 HD2 UVR 4 12.397 -2.225 0.875 39 HE1 UVR 4 HE1 UVR 4 14.512 -2.463 -0.015 40 HE2 UVR 4 HE2 UVR 4 13.768 -1.340 -1.156 41 HF1 UVR 4 HF1 UVR 4 13.117 -3.471 -2.473 42 HF2 UVR 4 HF2 UVR 4 14.367 -4.258 -1.496 43 HY1 UVR 4 HY1 UVR 4 16.129 -1.420 -1.511 44 HY2 UVR 4 HY2 UVR 4 16.979 -1.789 -3.022 45 HZ1 UVR 4 HZ1 UVR 4 18.112 -3.035 -1.181 46 HZ2 UVR 4 HZ2 UVR 4 17.185 -4.250 -2.016 47 HZ3 UVR 4 HZ3 UVR 4 16.846 -3.469 -0.496 Start of MODEL 16 1 H1 TRP 1 HN TRP 1 7.973 -0.351 0.716 2 HA TRP 1 HA TRP 1 6.330 0.088 -1.633 3 HB2 TRP 1 HB2 TRP 1 5.524 -1.486 0.041 4 HB3 TRP 1 HB1 TRP 1 5.598 -0.245 1.286 5 HD1 TRP 1 HD1 TRP 1 3.504 1.268 1.579 6 HE1 TRP 1 HE1 TRP 1 1.225 1.439 0.396 7 HE3 TRP 1 HE3 TRP 1 4.434 -1.779 -2.420 8 HZ2 TRP 1 HZ2 TRP 1 -0.015 0.418 -1.925 9 HZ3 TRP 1 HZ3 TRP 1 2.648 -2.130 -4.076 10 HH2 TRP 1 HH2 TRP 1 0.469 -1.054 -3.831 11 HA B3L 2 HQ1 B3L 2 7.154 5.122 2.387 12 HAA B3L 2 HQ2 B3L 2 6.985 3.548 3.144 13 HB B3L 2 HA B3L 2 6.032 4.298 0.311 14 HN B3L 2 HN B3L 2 5.819 1.630 1.500 15 HG B3L 2 HB1 B3L 2 5.378 3.800 3.185 16 HGA B3L 2 HB2 B3L 2 4.135 3.654 1.968 17 HD B3L 2 HG B3L 2 5.613 6.153 1.713 18 H3E2 B3L 2 HD13 B3L 2 2.703 5.883 2.321 19 H2E2 B3L 2 HD11 B3L 2 3.331 5.343 0.763 20 H1E2 B3L 2 HD12 B3L 2 3.530 7.024 1.260 21 H3E1 B3L 2 HD22 B3L 2 4.580 5.338 4.361 22 H2E1 B3L 2 HD23 B3L 2 4.167 6.962 3.812 23 H1E1 B3L 2 HD21 B3L 2 5.858 6.480 3.941 24 HA PRO 3 HA PRO 3 11.125 3.145 2.678 25 HB2 PRO 3 HB2 PRO 3 11.284 0.499 3.387 26 HB3 PRO 3 HB1 PRO 3 10.993 1.809 4.532 27 HG2 PRO 3 HG2 PRO 3 9.192 -0.283 3.707 28 HG3 PRO 3 HG1 PRO 3 8.936 0.972 4.928 29 HD2 PRO 3 HD2 PRO 3 8.013 0.863 2.136 30 HD3 PRO 3 HD1 PRO 3 7.410 1.838 3.487 31 HN UVR 4 HN UVR 4 9.711 0.089 1.633 32 HA UVR 4 HA UVR 4 10.976 0.400 -1.000 33 HB1 UVR 4 HB1 UVR 4 11.618 -1.731 -0.253 34 HB2 UVR 4 HB2 UVR 4 10.250 -2.039 -1.311 35 HG1 UVR 4 HG1 UVR 4 9.302 -3.188 0.319 36 HG2 UVR 4 HG2 UVR 4 9.173 -1.701 1.256 37 HD1 UVR 4 HD1 UVR 4 10.606 -2.518 2.740 38 HD2 UVR 4 HD2 UVR 4 11.844 -2.607 1.485 39 HE1 UVR 4 HE1 UVR 4 11.720 -4.795 2.265 40 HE2 UVR 4 HE2 UVR 4 10.704 -4.822 0.821 41 HF1 UVR 4 HF1 UVR 4 9.406 -4.196 3.423 42 HF2 UVR 4 HF2 UVR 4 9.885 -5.871 3.111 43 HY1 UVR 4 HY1 UVR 4 8.956 -7.091 1.252 44 HY2 UVR 4 HY2 UVR 4 7.772 -6.342 0.167 45 HZ1 UVR 4 HZ1 UVR 4 5.984 -7.024 1.552 46 HZ2 UVR 4 HZ2 UVR 4 6.883 -6.834 3.031 47 HZ3 UVR 4 HZ3 UVR 4 6.893 -8.167 1.911 Start of MODEL 17 1 H1 TRP 1 HN TRP 1 7.944 -0.417 0.679 2 HA TRP 1 HA TRP 1 6.337 0.108 -1.667 3 HB2 TRP 1 HB2 TRP 1 5.902 -1.152 0.822 4 HB3 TRP 1 HB1 TRP 1 4.829 0.242 0.783 5 HD1 TRP 1 HD1 TRP 1 2.654 0.010 -0.588 6 HE1 TRP 1 HE1 TRP 1 1.673 -1.793 -2.142 7 HE3 TRP 1 HE3 TRP 1 6.744 -3.030 -0.988 8 HZ2 TRP 1 HZ2 TRP 1 2.521 -4.186 -3.375 9 HZ3 TRP 1 HZ3 TRP 1 6.576 -5.056 -2.375 10 HH2 TRP 1 HH2 TRP 1 4.507 -5.621 -3.542 11 HA B3L 2 HQ1 B3L 2 7.137 5.112 2.409 12 HAA B3L 2 HQ2 B3L 2 6.985 3.534 3.161 13 HB B3L 2 HA B3L 2 6.031 4.281 0.328 14 HN B3L 2 HN B3L 2 5.880 1.601 1.505 15 HG B3L 2 HB1 B3L 2 5.380 3.787 3.201 16 HGA B3L 2 HB2 B3L 2 4.140 3.594 1.986 17 HD B3L 2 HG B3L 2 5.582 6.130 1.743 18 H3E2 B3L 2 HD13 B3L 2 3.253 5.129 0.835 19 H2E2 B3L 2 HD11 B3L 2 3.587 6.854 0.990 20 H1E2 B3L 2 HD12 B3L 2 2.684 6.013 2.250 21 H3E1 B3L 2 HD22 B3L 2 5.311 5.450 4.319 22 H2E1 B3L 2 HD23 B3L 2 3.705 6.118 4.026 23 H1E1 B3L 2 HD21 B3L 2 5.138 7.107 3.737 24 HA PRO 3 HA PRO 3 11.136 3.153 2.665 25 HB2 PRO 3 HB2 PRO 3 11.291 0.496 3.358 26 HB3 PRO 3 HB1 PRO 3 11.037 1.805 4.512 27 HG2 PRO 3 HG2 PRO 3 9.204 -0.271 3.753 28 HG3 PRO 3 HG1 PRO 3 8.965 1.024 4.935 29 HD2 PRO 3 HD2 PRO 3 8.059 0.850 2.130 30 HD3 PRO 3 HD1 PRO 3 7.416 1.819 3.468 31 HN UVR 4 HN UVR 4 9.751 0.074 1.658 32 HA UVR 4 HA UVR 4 10.990 0.338 -0.992 33 HB1 UVR 4 HB1 UVR 4 10.656 -1.995 -1.322 34 HB2 UVR 4 HB2 UVR 4 9.586 -2.112 0.068 35 HG1 UVR 4 HG1 UVR 4 11.554 -1.527 1.509 36 HG2 UVR 4 HG2 UVR 4 12.563 -1.701 0.073 37 HD1 UVR 4 HD1 UVR 4 10.707 -3.893 0.932 38 HD2 UVR 4 HD2 UVR 4 12.310 -3.724 1.650 39 HE1 UVR 4 HE1 UVR 4 12.115 -3.669 -1.311 40 HE2 UVR 4 HE2 UVR 4 11.878 -5.219 -0.501 41 HF1 UVR 4 HF1 UVR 4 14.150 -5.279 -0.785 42 HF2 UVR 4 HF2 UVR 4 14.068 -4.474 0.789 43 HY1 UVR 4 HY1 UVR 4 15.730 -3.920 -2.450 44 HY2 UVR 4 HY2 UVR 4 15.285 -2.210 -2.585 45 HZ1 UVR 4 HZ1 UVR 4 13.100 -2.776 -3.444 46 HZ2 UVR 4 HZ2 UVR 4 13.166 -4.417 -2.864 47 HZ3 UVR 4 HZ3 UVR 4 13.985 -3.706 -4.226 Start of MODEL 18 1 H1 TRP 1 HN TRP 1 7.854 -0.644 0.511 2 HA TRP 1 HA TRP 1 6.206 -0.028 -1.732 3 HB2 TRP 1 HB2 TRP 1 5.853 -1.154 0.867 4 HB3 TRP 1 HB1 TRP 1 4.698 0.162 0.687 5 HD1 TRP 1 HD1 TRP 1 2.610 -0.267 -0.799 6 HE1 TRP 1 HE1 TRP 1 1.750 -2.281 -2.151 7 HE3 TRP 1 HE3 TRP 1 6.779 -3.223 -0.602 8 HZ2 TRP 1 HZ2 TRP 1 2.709 -4.788 -3.019 9 HZ3 TRP 1 HZ3 TRP 1 6.724 -5.414 -1.720 10 HH2 TRP 1 HH2 TRP 1 4.730 -6.180 -2.902 11 HA B3L 2 HQ1 B3L 2 8.106 2.540 0.457 12 HAA B3L 2 HQ2 B3L 2 8.043 4.253 0.121 13 HB B3L 2 HA B3L 2 6.011 4.151 0.274 14 HN B3L 2 HN B3L 2 5.870 1.502 1.419 15 HG B3L 2 HB1 B3L 2 5.367 3.019 2.949 16 HGA B3L 2 HB2 B3L 2 4.443 4.122 1.939 17 HD B3L 2 HG B3L 2 6.909 5.376 2.619 18 H3E2 B3L 2 HD13 B3L 2 4.428 6.222 3.976 19 H2E2 B3L 2 HD11 B3L 2 4.350 6.124 2.217 20 H1E2 B3L 2 HD12 B3L 2 5.561 7.147 2.990 21 H3E1 B3L 2 HD22 B3L 2 5.592 3.891 4.843 22 H2E1 B3L 2 HD23 B3L 2 6.230 5.504 5.166 23 H1E1 B3L 2 HD21 B3L 2 7.300 4.236 4.565 24 HA PRO 3 HA PRO 3 11.233 3.163 2.759 25 HB2 PRO 3 HB2 PRO 3 11.379 0.509 3.450 26 HB3 PRO 3 HB1 PRO 3 11.097 1.808 4.609 27 HG2 PRO 3 HG2 PRO 3 9.282 -0.264 3.758 28 HG3 PRO 3 HG1 PRO 3 9.037 0.973 5.000 29 HD2 PRO 3 HD2 PRO 3 8.086 0.910 2.220 30 HD3 PRO 3 HD1 PRO 3 7.519 1.890 3.584 31 HN UVR 4 HN UVR 4 9.660 0.205 1.654 32 HA UVR 4 HA UVR 4 10.910 0.503 -0.987 33 HB1 UVR 4 HB1 UVR 4 10.441 -1.830 -1.404 34 HB2 UVR 4 HB2 UVR 4 9.554 -1.966 0.108 35 HG1 UVR 4 HG1 UVR 4 11.680 -1.452 1.312 36 HG2 UVR 4 HG2 UVR 4 12.512 -1.555 -0.240 37 HD1 UVR 4 HD1 UVR 4 12.768 -3.680 0.738 38 HD2 UVR 4 HD2 UVR 4 11.491 -3.871 -0.467 39 HE1 UVR 4 HE1 UVR 4 10.554 -3.111 2.211 40 HE2 UVR 4 HE2 UVR 4 11.312 -4.702 2.114 41 HF1 UVR 4 HF1 UVR 4 9.743 -4.853 -0.048 42 HF2 UVR 4 HF2 UVR 4 8.782 -3.723 0.918 43 HY1 UVR 4 HY1 UVR 4 6.940 -5.985 1.823 44 HY2 UVR 4 HY2 UVR 4 7.469 -4.541 2.704 45 HZ1 UVR 4 HZ1 UVR 4 8.629 -6.307 4.335 46 HZ2 UVR 4 HZ2 UVR 4 7.440 -7.412 3.701 47 HZ3 UVR 4 HZ3 UVR 4 7.196 -5.934 4.590