*HEADER HYDROLASE INHIBITOR 13-JAN-09 SMS20069 *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-BALA-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 45 *AUTHOR J.M.BEIERLE assign (resid 3 and name HB# ) (resid 3 and name HA ) 2.7 1.1 0.0 assign (resid 2 and name HQ# ) (resid 3 and name HN ) 2.7 1.1 0.0 assign (resid 3 and name HQ# ) (resid 4 and name HN ) 2.7 1.1 0.0 assign (resid 3 and name HQ# ) (resid 3 and name HA ) 2.7 1.1 0.0 assign (resid 2 and name HA ) (resid 2 and name HN ) 2.7 1.1 0.0 assign (resid 1 and name HA ) (resid 2 and name HN ) 2.7 1.1 0.0 assign (resid 2 and name HQ# ) (resid 2 and name HA ) 2.7 1.1 0.0 assign (resid 1 and name HB# ) (resid 1 and name HA ) 2.7 1.1 0.0 assign (resid 3 and name HQ# ) (resid 3 and name HN ) 2.7 1.1 0.0 assign (resid 4 and name HB# ) (resid 4 and name HA ) 2.7 1.1 0.0 assign (resid 1 and name HB# ) (resid 1 and name HA ) 2.7 1.1 0.0 assign (resid 1 and name HA ) (resid 1 and name XXX ) 2.7 1.1 0.0 assign (resid 2 and name HB# ) (resid 2 and name HA ) 2.7 1.1 0.0 assign (resid 1 and name HA ) (resid 1 and name HN ) 2.7 1.1 0.0 assign (resid 2 and name HD# ) (resid 2 and name HG ) 2.7 1.1 0.0 assign (resid 4 and name HN ) (resid 1 and name HN ) 2.7 1.1 0.0 assign (resid 1 and name XXX ) (resid 1 and name HE1 ) 2.7 1.1 0.0 assign (resid 3 and name HA ) (resid 3 and name HN ) 3.5 1.9 0.0 assign (resid 2 and name HB# ) (resid 2 and name HQ# ) 3.5 1.9 0.0 assign (resid 2 and name HN ) (resid 1 and name HN ) 3.5 1.9 0.0 assign (resid 2 and name HG ) (resid 2 and name HB# ) 3.5 1.9 0.0 assign (resid 4 and name HA ) (resid 4 and name HN ) 3.5 1.9 0.0 assign (resid 2 and name HB# ) (resid 2 and name HA ) 3.5 1.9 0.0 assign (resid 1 and name HA ) (resid 1 and name XXX ) 3.5 1.9 0.0 assign (resid 2 and name HQ# ) (resid 2 and name HN ) 3.5 1.9 0.0 assign (resid 1 and name HB# ) (resid 1 and name XXX ) 3.5 1.9 0.0 assign (resid 4 and name HA ) (resid 1 and name HN ) 3.5 1.9 0.0 assign (resid 4 and name HB# ) (resid 4 and name HN ) 3.5 1.9 0.0 assign (resid 2 and name HD# ) (resid 2 and name HA ) 3.5 1.9 0.0 assign (resid 2 and name HG ) (resid 2 and name HQ# ) 3.5 1.9 0.0 assign (resid 4 and name HE# ) (resid 4 and name HF# ) 3.5 1.9 0.0 assign (resid 2 and name HB# ) (resid 2 and name HQ# ) 3.5 1.9 0.0 assign (resid 1 and name HB# ) (resid 1 and name XXX ) 3.5 1.9 0.0 assign (resid 4 and name HA ) (resid 4 and name HG# ) 3.5 1.9 0.0 assign (resid 2 and name HD# ) (resid 2 and name HG ) 3.5 1.9 0.0 assign (resid 1 and name HB# ) (resid 1 and name HN ) 3.5 1.9 0.0 assign (resid 2 and name HD# ) (resid 2 and name HB# ) 3.5 1.9 0.0 assign (resid 2 and name HG ) (resid 2 and name HD# ) 3.5 1.9 0.0 assign (resid 2 and name HG ) (resid 2 and name HD# ) 3.5 1.9 0.0 assign (resid 3 and name HB# ) (resid 3 and name HQ# ) 3.5 1.9 0.0 assign (resid 1 and name HZ2 ) (resid 1 and name HE1 ) 3.5 1.9 0.0 assign (resid 1 and name HB# ) (resid 1 and name HN ) 3.5 1.9 0.0 assign (resid 2 and name HG ) (resid 2 and name HA ) 3.5 1.9 0.0 assign (resid 3 and name HQ# ) (resid 3 and name HA ) 3.5 1.9 0.0 assign (resid 1 and name HB# ) (resid 2 and name HN ) 3.5 1.9 0.0 assign (resid 1 and name HB# ) (resid 1 and name XXX ) 3.5 1.9 0.0 assign (resid 2 and name HB# ) (resid 2 and name HD# ) 3.5 1.9 0.0 assign (resid 1 and name HB# ) (resid 2 and name HN ) 3.5 1.9 0.0 assign (resid 3 and name HB# ) (resid 3 and name HQ# ) 3.5 1.9 0.0 assign (resid 4 and name HB# ) (resid 1 and name HN ) 3.5 1.9 0.0 assign (resid 2 and name HN ) (resid 3 and name HN ) 3.5 1.9 0.0 assign (resid 2 and name HG ) (resid 2 and name HN ) 3.5 1.9 0.0 assign (resid 2 and name HB# ) (resid 2 and name HD# ) 3.5 1.9 0.0 assign (resid 2 and name HB# ) (resid 2 and name HN ) 4.5 2.9 0.0 assign (resid 3 and name HB# ) (resid 3 and name HN ) 4.5 2.9 0.0 assign (resid 2 and name HQ# ) (resid 2 and name HA ) 4.5 2.9 0.0 assign (resid 2 and name HB# ) (resid 2 and name HQ# ) 4.5 2.9 0.0 assign (resid 4 and name CZ# ) (resid 4 and name HY# ) 4.5 2.9 0.0 assign (resid 4 and name HN ) (resid 3 and name HN ) 4.5 2.9 0.0 assign (resid 2 and name HB# ) (resid 2 and name HD# ) 4.5 2.9 0.0 assign (resid 4 and name HF# ) (resid 4 and name HG# ) 4.5 2.9 0.0 assign (resid 2 and name HB# ) (resid 2 and name HD# ) 4.5 2.9 0.0 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TRP 1 HN TRP 1 8.636 0.169 0.714 2 HA TRP 1 HA TRP 1 7.848 -1.952 -1.053 3 HB2 TRP 1 HB2 TRP 1 7.066 -3.432 0.604 4 HB3 TRP 1 HB1 TRP 1 8.714 -3.022 1.028 5 HD1 TRP 1 HD1 TRP 1 8.202 -0.303 2.559 6 HE1 TRP 1 HE1 TRP 1 7.044 -0.327 4.856 7 HE3 TRP 1 HE3 TRP 1 5.867 -4.841 2.245 8 HZ2 TRP 1 HZ2 TRP 1 5.365 -2.041 6.340 9 HZ3 TRP 1 HZ3 TRP 1 4.505 -5.598 4.150 10 HH2 TRP 1 HH2 TRP 1 4.260 -4.226 6.154 11 HA B3L 2 HQ1 B3L 2 5.817 2.992 1.373 12 HAA B3L 2 HQ2 B3L 2 5.643 3.753 -0.194 13 HB B3L 2 HA B3L 2 5.305 1.769 -1.265 14 HN B3L 2 HN B3L 2 7.556 0.692 -0.444 15 HG B3L 2 HB1 B3L 2 3.782 0.825 0.281 16 HGA B3L 2 HB2 B3L 2 4.088 2.438 0.887 17 HD B3L 2 HG B3L 2 5.944 0.538 2.030 18 H3E2 B3L 2 HD13 B3L 2 4.532 1.431 4.109 19 H2E2 B3L 2 HD11 B3L 2 4.065 2.645 2.917 20 H1E2 B3L 2 HD12 B3L 2 5.767 2.402 3.308 21 H3E1 B3L 2 HD22 B3L 2 3.559 -0.687 1.514 22 H2E1 B3L 2 HD23 B3L 2 3.301 -0.054 3.139 23 H1E1 B3L 2 HD21 B3L 2 4.664 -1.125 2.817 24 HG1 B3A 3 HB1 B3A 3 9.686 6.478 0.868 25 HG2 B3A 3 HB2 B3A 3 9.269 5.022 1.770 26 HG3 B3A 3 HB3 B3A 3 8.005 5.958 0.975 27 HB B3A 3 HA B3A 3 9.356 5.478 -1.194 28 H B3A 3 HN B3A 3 7.586 4.053 -1.508 29 HA1 B3A 3 HQ1 B3A 3 11.225 4.509 -1.021 30 HA2 B3A 3 HQ2 B3A 3 10.100 3.341 -1.672 31 HN UVR 4 HN UVR 4 9.484 1.629 -0.531 32 HA UVR 4 HA UVR 4 11.903 0.313 -0.578 33 HB1 UVR 4 HB1 UVR 4 12.520 0.581 1.617 34 HB2 UVR 4 HB2 UVR 4 11.485 -0.826 1.805 35 HG1 UVR 4 HG1 UVR 4 9.642 1.059 2.142 36 HG2 UVR 4 HG2 UVR 4 11.059 1.972 2.662 37 HD1 UVR 4 HD1 UVR 4 11.359 -0.485 3.905 38 HD2 UVR 4 HD2 UVR 4 9.627 -0.162 4.014 39 HE1 UVR 4 HE1 UVR 4 10.843 2.267 4.635 40 HE2 UVR 4 HE2 UVR 4 11.820 1.049 5.457 41 HF1 UVR 4 HF1 UVR 4 10.119 0.422 6.847 42 HF2 UVR 4 HF2 UVR 4 8.864 0.811 5.661 43 HY1 UVR 4 HY1 UVR 4 7.721 1.990 7.677 44 HY2 UVR 4 HY2 UVR 4 7.650 3.318 6.506 45 HZ1 UVR 4 HZ1 UVR 4 9.242 4.502 8.384 46 HZ2 UVR 4 HZ2 UVR 4 8.302 3.484 9.440 47 HZ3 UVR 4 HZ3 UVR 4 7.758 4.742 8.364 Start of MODEL 2 1 H1 TRP 1 HN TRP 1 8.637 -0.078 0.943 2 HA TRP 1 HA TRP 1 7.956 -1.952 -1.137 3 HB2 TRP 1 HB2 TRP 1 7.750 -2.460 1.807 4 HB3 TRP 1 HB1 TRP 1 6.594 -3.212 0.712 5 HD1 TRP 1 HD1 TRP 1 9.411 -4.287 2.476 6 HE1 TRP 1 HE1 TRP 1 10.799 -6.061 1.230 7 HE3 TRP 1 HE3 TRP 1 7.589 -3.574 -2.247 8 HZ2 TRP 1 HZ2 TRP 1 11.083 -7.030 -1.406 9 HZ3 TRP 1 HZ3 TRP 1 8.472 -4.965 -4.075 10 HH2 TRP 1 HH2 TRP 1 10.184 -6.657 -3.661 11 HA B3L 2 HQ1 B3L 2 5.935 2.983 1.492 12 HAA B3L 2 HQ2 B3L 2 5.647 3.760 -0.053 13 HB B3L 2 HA B3L 2 5.307 1.762 -1.141 14 HN B3L 2 HN B3L 2 7.580 0.732 -0.055 15 HG B3L 2 HB1 B3L 2 3.941 2.421 0.737 16 HGA B3L 2 HB2 B3L 2 5.039 1.654 1.877 17 HD B3L 2 HG B3L 2 4.397 -0.511 1.084 18 H3E2 B3L 2 HD13 B3L 2 2.033 1.204 1.810 19 H2E2 B3L 2 HD11 B3L 2 3.191 0.510 2.945 20 H1E2 B3L 2 HD12 B3L 2 2.140 -0.546 1.999 21 H3E1 B3L 2 HD22 B3L 2 2.643 -0.864 -0.508 22 H2E1 B3L 2 HD23 B3L 2 3.840 0.200 -1.246 23 H1E1 B3L 2 HD21 B3L 2 2.333 0.867 -0.620 24 HG1 B3A 3 HB1 B3A 3 9.200 6.723 0.493 25 HG2 B3A 3 HB2 B3A 3 9.819 5.426 1.515 26 HG3 B3A 3 HB3 B3A 3 8.087 5.556 1.207 27 HB B3A 3 HA B3A 3 9.357 5.444 -1.314 28 H B3A 3 HN B3A 3 7.559 4.027 -1.513 29 HA1 B3A 3 HQ1 B3A 3 11.220 4.470 -1.137 30 HA2 B3A 3 HQ2 B3A 3 10.072 3.279 -1.701 31 HN UVR 4 HN UVR 4 9.439 1.670 -0.435 32 HA UVR 4 HA UVR 4 11.899 0.333 -0.378 33 HB1 UVR 4 HB1 UVR 4 11.014 -0.840 1.931 34 HB2 UVR 4 HB2 UVR 4 10.605 0.843 2.231 35 HG1 UVR 4 HG1 UVR 4 12.850 1.528 2.067 36 HG2 UVR 4 HG2 UVR 4 13.346 -0.007 1.351 37 HD1 UVR 4 HD1 UVR 4 14.033 0.109 3.682 38 HD2 UVR 4 HD2 UVR 4 12.821 -1.153 3.455 39 HE1 UVR 4 HE1 UVR 4 11.107 0.605 4.151 40 HE2 UVR 4 HE2 UVR 4 12.485 1.557 4.707 41 HF1 UVR 4 HF1 UVR 4 11.633 0.326 6.580 42 HF2 UVR 4 HF2 UVR 4 13.177 -0.400 6.106 43 HY1 UVR 4 HY1 UVR 4 11.363 -2.939 7.235 44 HY2 UVR 4 HY2 UVR 4 12.991 -2.664 6.593 45 HZ1 UVR 4 HZ1 UVR 4 11.009 -3.953 4.716 46 HZ2 UVR 4 HZ2 UVR 4 11.729 -4.967 5.936 47 HZ3 UVR 4 HZ3 UVR 4 12.505 -4.089 4.647 Start of MODEL 3 1 H1 TRP 1 HN TRP 1 8.656 0.076 0.813 2 HA TRP 1 HA TRP 1 7.853 -1.967 -1.054 3 HB2 TRP 1 HB2 TRP 1 8.671 -2.878 1.323 4 HB3 TRP 1 HB1 TRP 1 7.033 -2.413 1.763 5 HD1 TRP 1 HD1 TRP 1 5.309 -3.400 -0.559 6 HE1 TRP 1 HE1 TRP 1 5.124 -5.896 -1.163 7 HE3 TRP 1 HE3 TRP 1 9.625 -5.081 1.604 8 HZ2 TRP 1 HZ2 TRP 1 6.612 -8.263 -0.773 9 HZ3 TRP 1 HZ3 TRP 1 10.170 -7.475 1.444 10 HH2 TRP 1 HH2 TRP 1 8.694 -9.032 0.279 11 HA B3L 2 HQ1 B3L 2 5.828 2.996 1.374 12 HAA B3L 2 HQ2 B3L 2 5.647 3.757 -0.191 13 HB B3L 2 HA B3L 2 5.301 1.775 -1.260 14 HN B3L 2 HN B3L 2 7.565 0.722 -0.484 15 HG B3L 2 HB1 B3L 2 3.807 0.796 0.303 16 HGA B3L 2 HB2 B3L 2 4.089 2.418 0.896 17 HD B3L 2 HG B3L 2 5.983 0.547 2.034 18 H3E2 B3L 2 HD13 B3L 2 4.107 2.656 2.920 19 H2E2 B3L 2 HD11 B3L 2 5.815 2.426 3.292 20 H1E2 B3L 2 HD12 B3L 2 4.595 1.461 4.122 21 H3E1 B3L 2 HD22 B3L 2 4.706 -1.225 2.447 22 H2E1 B3L 2 HD23 B3L 2 3.301 -0.439 1.729 23 H1E1 B3L 2 HD21 B3L 2 3.671 -0.197 3.436 24 HG1 B3A 3 HB1 B3A 3 9.503 6.597 0.775 25 HG2 B3A 3 HB2 B3A 3 9.484 5.124 1.743 26 HG3 B3A 3 HB3 B3A 3 7.977 5.775 1.100 27 HB B3A 3 HA B3A 3 9.361 5.491 -1.192 28 H B3A 3 HN B3A 3 7.581 4.081 -1.506 29 HA1 B3A 3 HQ1 B3A 3 11.225 4.512 -1.021 30 HA2 B3A 3 HQ2 B3A 3 10.094 3.347 -1.668 31 HN UVR 4 HN UVR 4 9.470 1.643 -0.523 32 HA UVR 4 HA UVR 4 11.898 0.320 -0.552 33 HB1 UVR 4 HB1 UVR 4 10.938 -0.663 1.960 34 HB2 UVR 4 HB2 UVR 4 11.135 1.079 2.095 35 HG1 UVR 4 HG1 UVR 4 13.156 -0.003 2.795 36 HG2 UVR 4 HG2 UVR 4 13.454 0.843 1.275 37 HD1 UVR 4 HD1 UVR 4 14.443 -1.150 0.782 38 HD2 UVR 4 HD2 UVR 4 12.797 -1.515 0.261 39 HE1 UVR 4 HE1 UVR 4 13.468 -2.044 3.099 40 HE2 UVR 4 HE2 UVR 4 14.175 -3.117 1.888 41 HF1 UVR 4 HF1 UVR 4 11.672 -3.116 0.985 42 HF2 UVR 4 HF2 UVR 4 11.336 -2.757 2.686 43 HY1 UVR 4 HY1 UVR 4 11.633 -5.485 0.480 44 HY2 UVR 4 HY2 UVR 4 12.270 -6.662 1.643 45 HZ1 UVR 4 HZ1 UVR 4 13.810 -4.915 -0.281 46 HZ2 UVR 4 HZ2 UVR 4 14.256 -6.483 0.332 47 HZ3 UVR 4 HZ3 UVR 4 14.460 -4.921 1.074 Start of MODEL 4 1 H1 TRP 1 HN TRP 1 9.088 -0.780 -1.398 2 HA TRP 1 HA TRP 1 7.391 -2.301 -0.991 3 HB2 TRP 1 HB2 TRP 1 8.275 -3.610 0.672 4 HB3 TRP 1 HB1 TRP 1 8.701 -2.226 1.651 5 HD1 TRP 1 HD1 TRP 1 7.125 -1.604 3.613 6 HE1 TRP 1 HE1 TRP 1 4.896 -2.535 4.506 7 HE3 TRP 1 HE3 TRP 1 5.989 -4.810 -0.215 8 HZ2 TRP 1 HZ2 TRP 1 2.920 -4.380 3.698 9 HZ3 TRP 1 HZ3 TRP 1 3.909 -6.124 -0.071 10 HH2 TRP 1 HH2 TRP 1 2.408 -5.913 1.847 11 HA B3L 2 HQ1 B3L 2 6.154 2.604 1.588 12 HAA B3L 2 HQ2 B3L 2 5.704 3.653 0.262 13 HB B3L 2 HA B3L 2 5.398 1.872 -1.207 14 HN B3L 2 HN B3L 2 7.480 0.495 -0.963 15 HG B3L 2 HB1 B3L 2 4.216 2.404 0.904 16 HGA B3L 2 HB2 B3L 2 5.136 1.143 1.720 17 HD B3L 2 HG B3L 2 4.082 -0.282 -0.272 18 H3E2 B3L 2 HD13 B3L 2 3.674 0.033 2.508 19 H2E2 B3L 2 HD11 B3L 2 3.344 -1.384 1.512 20 H1E2 B3L 2 HD12 B3L 2 2.085 -0.170 1.766 21 H3E1 B3L 2 HD22 B3L 2 2.794 2.052 -0.703 22 H2E1 B3L 2 HD23 B3L 2 1.658 1.242 0.375 23 H1E1 B3L 2 HD21 B3L 2 2.146 0.468 -1.131 24 HG1 B3A 3 HB1 B3A 3 9.998 5.557 1.569 25 HG2 B3A 3 HB2 B3A 3 8.248 5.349 1.518 26 HG3 B3A 3 HB3 B3A 3 8.996 6.729 0.712 27 HB B3A 3 HA B3A 3 9.353 5.551 -1.151 28 H B3A 3 HN B3A 3 7.547 4.154 -1.377 29 HA1 B3A 3 HQ1 B3A 3 11.298 4.658 -0.875 30 HA2 B3A 3 HQ2 B3A 3 10.224 3.560 -1.705 31 HN UVR 4 HN UVR 4 9.429 1.810 -0.641 32 HA UVR 4 HA UVR 4 11.136 0.029 -1.073 33 HB1 UVR 4 HB1 UVR 4 12.073 -0.678 1.253 34 HB2 UVR 4 HB2 UVR 4 11.892 1.022 1.655 35 HG1 UVR 4 HG1 UVR 4 14.163 0.521 0.931 36 HG2 UVR 4 HG2 UVR 4 13.368 1.621 -0.192 37 HD1 UVR 4 HD1 UVR 4 13.006 -1.200 -0.864 38 HD2 UVR 4 HD2 UVR 4 14.690 -0.674 -0.888 39 HE1 UVR 4 HE1 UVR 4 12.615 1.013 -2.209 40 HE2 UVR 4 HE2 UVR 4 13.195 -0.440 -3.027 41 HF1 UVR 4 HF1 UVR 4 14.599 1.256 -3.825 42 HF2 UVR 4 HF2 UVR 4 15.551 0.476 -2.556 43 HY1 UVR 4 HY1 UVR 4 16.871 2.703 -2.259 44 HY2 UVR 4 HY2 UVR 4 16.357 2.285 -0.618 45 HZ1 UVR 4 HZ1 UVR 4 15.197 4.858 -1.530 46 HZ2 UVR 4 HZ2 UVR 4 16.929 4.914 -1.362 47 HZ3 UVR 4 HZ3 UVR 4 15.724 4.550 -0.157 Start of MODEL 5 1 H1 TRP 1 HN TRP 1 8.656 0.074 0.814 2 HA TRP 1 HA TRP 1 7.855 -1.966 -1.053 3 HB2 TRP 1 HB2 TRP 1 8.608 -2.722 1.493 4 HB3 TRP 1 HB1 TRP 1 6.866 -2.531 1.636 5 HD1 TRP 1 HD1 TRP 1 8.957 -4.085 -1.247 6 HE1 TRP 1 HE1 TRP 1 8.038 -6.445 -1.705 7 HE3 TRP 1 HE3 TRP 1 5.394 -4.293 2.414 8 HZ2 TRP 1 HZ2 TRP 1 6.063 -8.166 -0.655 9 HZ3 TRP 1 HZ3 TRP 1 4.032 -6.333 2.619 10 HH2 TRP 1 HH2 TRP 1 4.361 -8.228 1.115 11 HA B3L 2 HQ1 B3L 2 5.827 2.998 1.372 12 HAA B3L 2 HQ2 B3L 2 5.648 3.757 -0.196 13 HB B3L 2 HA B3L 2 5.302 1.774 -1.260 14 HN B3L 2 HN B3L 2 7.565 0.722 -0.483 15 HG B3L 2 HB1 B3L 2 3.809 0.794 0.303 16 HGA B3L 2 HB2 B3L 2 4.088 2.418 0.894 17 HD B3L 2 HG B3L 2 5.985 0.549 2.034 18 H3E2 B3L 2 HD13 B3L 2 4.598 1.467 4.121 19 H2E2 B3L 2 HD11 B3L 2 4.111 2.661 2.917 20 H1E2 B3L 2 HD12 B3L 2 5.819 2.429 3.289 21 H3E1 B3L 2 HD22 B3L 2 4.706 -1.223 2.444 22 H2E1 B3L 2 HD23 B3L 2 3.296 -0.432 1.739 23 H1E1 B3L 2 HD21 B3L 2 3.680 -0.194 3.444 24 HG1 B3A 3 HB1 B3A 3 9.667 6.506 0.861 25 HG2 B3A 3 HB2 B3A 3 9.296 5.042 1.772 26 HG3 B3A 3 HB3 B3A 3 7.999 5.947 0.991 27 HB B3A 3 HA B3A 3 9.361 5.491 -1.190 28 H B3A 3 HN B3A 3 7.582 4.081 -1.506 29 HA1 B3A 3 HQ1 B3A 3 11.226 4.512 -1.018 30 HA2 B3A 3 HQ2 B3A 3 10.095 3.348 -1.667 31 HN UVR 4 HN UVR 4 9.471 1.643 -0.524 32 HA UVR 4 HA UVR 4 11.898 0.319 -0.553 33 HB1 UVR 4 HB1 UVR 4 11.342 -0.844 1.817 34 HB2 UVR 4 HB2 UVR 4 10.776 0.786 2.162 35 HG1 UVR 4 HG1 UVR 4 12.852 1.623 2.259 36 HG2 UVR 4 HG2 UVR 4 13.417 0.653 0.897 37 HD1 UVR 4 HD1 UVR 4 14.627 -0.136 2.753 38 HD2 UVR 4 HD2 UVR 4 13.357 -1.333 2.487 39 HE1 UVR 4 HE1 UVR 4 12.767 0.909 4.340 40 HE2 UVR 4 HE2 UVR 4 13.883 -0.340 4.895 41 HF1 UVR 4 HF1 UVR 4 11.121 -0.875 3.804 42 HF2 UVR 4 HF2 UVR 4 11.530 -0.798 5.523 43 HY1 UVR 4 HY1 UVR 4 13.406 -3.800 5.770 44 HY2 UVR 4 HY2 UVR 4 13.923 -2.109 5.873 45 HZ1 UVR 4 HZ1 UVR 4 14.441 -3.845 3.399 46 HZ2 UVR 4 HZ2 UVR 4 15.657 -3.500 4.597 47 HZ3 UVR 4 HZ3 UVR 4 14.884 -2.410 3.479 Start of MODEL 6 1 H1 TRP 1 HN TRP 1 8.640 -0.079 0.946 2 HA TRP 1 HA TRP 1 7.956 -1.955 -1.133 3 HB2 TRP 1 HB2 TRP 1 8.499 -3.381 0.776 4 HB3 TRP 1 HB1 TRP 1 7.433 -2.430 1.804 5 HD1 TRP 1 HD1 TRP 1 6.518 -3.767 -1.701 6 HE1 TRP 1 HE1 TRP 1 4.497 -5.343 -1.455 7 HE3 TRP 1 HE3 TRP 1 6.142 -3.814 3.397 8 HZ2 TRP 1 HZ2 TRP 1 2.950 -6.460 0.626 9 HZ3 TRP 1 HZ3 TRP 1 4.365 -5.162 4.436 10 HH2 TRP 1 HH2 TRP 1 2.801 -6.456 3.078 11 HA B3L 2 HQ1 B3L 2 5.935 2.982 1.490 12 HAA B3L 2 HQ2 B3L 2 5.648 3.760 -0.054 13 HB B3L 2 HA B3L 2 5.310 1.762 -1.146 14 HN B3L 2 HN B3L 2 7.580 0.731 -0.055 15 HG B3L 2 HB1 B3L 2 3.941 2.423 0.731 16 HGA B3L 2 HB2 B3L 2 5.036 1.654 1.872 17 HD B3L 2 HG B3L 2 4.392 -0.510 1.077 18 H3E2 B3L 2 HD13 B3L 2 3.085 -0.084 2.873 19 H2E2 B3L 2 HD11 B3L 2 1.810 -0.150 1.658 20 H1E2 B3L 2 HD12 B3L 2 2.445 1.408 2.185 21 H3E1 B3L 2 HD22 B3L 2 2.976 -0.939 -0.668 22 H2E1 B3L 2 HD23 B3L 2 3.720 0.553 -1.248 23 H1E1 B3L 2 HD21 B3L 2 2.127 0.598 -0.492 24 HG1 B3A 3 HB1 B3A 3 9.296 5.123 1.675 25 HG2 B3A 3 HB2 B3A 3 8.055 6.057 0.839 26 HG3 B3A 3 HB3 B3A 3 9.750 6.528 0.709 27 HB B3A 3 HA B3A 3 9.359 5.445 -1.312 28 H B3A 3 HN B3A 3 7.561 4.029 -1.513 29 HA1 B3A 3 HQ1 B3A 3 11.223 4.473 -1.128 30 HA2 B3A 3 HQ2 B3A 3 10.077 3.283 -1.699 31 HN UVR 4 HN UVR 4 9.441 1.671 -0.441 32 HA UVR 4 HA UVR 4 11.898 0.334 -0.383 33 HB1 UVR 4 HB1 UVR 4 10.348 -0.177 2.139 34 HB2 UVR 4 HB2 UVR 4 11.520 1.132 2.099 35 HG1 UVR 4 HG1 UVR 4 12.779 -0.599 2.927 36 HG2 UVR 4 HG2 UVR 4 13.134 -0.697 1.201 37 HD1 UVR 4 HD1 UVR 4 12.626 -2.877 1.507 38 HD2 UVR 4 HD2 UVR 4 10.973 -2.290 1.312 39 HE1 UVR 4 HE1 UVR 4 11.395 -1.885 3.976 40 HE2 UVR 4 HE2 UVR 4 12.327 -3.355 3.683 41 HF1 UVR 4 HF1 UVR 4 9.458 -2.997 2.827 42 HF2 UVR 4 HF2 UVR 4 9.947 -3.754 4.351 43 HY1 UVR 4 HY1 UVR 4 9.012 -6.377 2.227 44 HY2 UVR 4 HY2 UVR 4 9.153 -5.895 3.926 45 HZ1 UVR 4 HZ1 UVR 4 10.448 -8.148 2.713 46 HZ2 UVR 4 HZ2 UVR 4 10.880 -7.501 4.271 47 HZ3 UVR 4 HZ3 UVR 4 11.597 -7.178 2.716 Start of MODEL 7 1 H1 TRP 1 HN TRP 1 8.654 0.089 0.797 2 HA TRP 1 HA TRP 1 7.851 -1.965 -1.054 3 HB2 TRP 1 HB2 TRP 1 8.677 -2.854 1.339 4 HB3 TRP 1 HB1 TRP 1 7.026 -2.418 1.757 5 HD1 TRP 1 HD1 TRP 1 5.769 -4.657 1.887 6 HE1 TRP 1 HE1 TRP 1 5.476 -6.686 0.332 7 HE3 TRP 1 HE3 TRP 1 9.087 -3.359 -1.781 8 HZ2 TRP 1 HZ2 TRP 1 6.513 -7.616 -2.124 9 HZ3 TRP 1 HZ3 TRP 1 9.377 -4.873 -3.698 10 HH2 TRP 1 HH2 TRP 1 8.116 -6.958 -3.865 11 HA B3L 2 HQ1 B3L 2 5.826 3.000 1.371 12 HAA B3L 2 HQ2 B3L 2 5.647 3.758 -0.195 13 HB B3L 2 HA B3L 2 5.298 1.777 -1.259 14 HN B3L 2 HN B3L 2 7.560 0.722 -0.493 15 HG B3L 2 HB1 B3L 2 3.803 0.802 0.304 16 HGA B3L 2 HB2 B3L 2 4.089 2.422 0.898 17 HD B3L 2 HG B3L 2 5.977 0.537 2.030 18 H3E2 B3L 2 HD13 B3L 2 4.125 2.664 2.923 19 H2E2 B3L 2 HD11 B3L 2 5.834 2.420 3.285 20 H1E2 B3L 2 HD12 B3L 2 4.610 1.465 4.123 21 H3E1 B3L 2 HD22 B3L 2 3.351 -0.024 3.194 22 H2E1 B3L 2 HD23 B3L 2 4.702 -1.108 2.862 23 H1E1 B3L 2 HD21 B3L 2 3.577 -0.681 1.574 24 HG1 B3A 3 HB1 B3A 3 9.381 5.074 1.764 25 HG2 B3A 3 HB2 B3A 3 7.982 5.869 1.041 26 HG3 B3A 3 HB3 B3A 3 9.594 6.550 0.822 27 HB B3A 3 HA B3A 3 9.362 5.490 -1.189 28 H B3A 3 HN B3A 3 7.580 4.083 -1.506 29 HA1 B3A 3 HQ1 B3A 3 11.225 4.511 -1.016 30 HA2 B3A 3 HQ2 B3A 3 10.095 3.348 -1.666 31 HN UVR 4 HN UVR 4 9.473 1.640 -0.529 32 HA UVR 4 HA UVR 4 11.899 0.318 -0.558 33 HB1 UVR 4 HB1 UVR 4 12.344 0.781 1.713 34 HB2 UVR 4 HB2 UVR 4 11.665 -0.842 1.730 35 HG1 UVR 4 HG1 UVR 4 9.586 -0.069 2.541 36 HG2 UVR 4 HG2 UVR 4 10.011 1.615 2.226 37 HD1 UVR 4 HD1 UVR 4 10.587 1.684 4.389 38 HD2 UVR 4 HD2 UVR 4 12.037 0.817 3.879 39 HE1 UVR 4 HE1 UVR 4 11.378 -1.110 4.839 40 HE2 UVR 4 HE2 UVR 4 9.691 -0.881 4.375 41 HF1 UVR 4 HF1 UVR 4 10.953 0.755 6.555 42 HF2 UVR 4 HF2 UVR 4 10.246 -0.834 6.876 43 HY1 UVR 4 HY1 UVR 4 8.746 2.771 6.503 44 HY2 UVR 4 HY2 UVR 4 9.271 1.887 7.946 45 HZ1 UVR 4 HZ1 UVR 4 6.594 2.762 7.398 46 HZ2 UVR 4 HZ2 UVR 4 7.008 1.607 8.634 47 HZ3 UVR 4 HZ3 UVR 4 6.466 1.317 7.005 Start of MODEL 8 1 H1 TRP 1 HN TRP 1 8.656 0.077 0.812 2 HA TRP 1 HA TRP 1 7.852 -1.966 -1.052 3 HB2 TRP 1 HB2 TRP 1 8.300 -2.441 1.787 4 HB3 TRP 1 HB1 TRP 1 6.663 -2.840 1.290 5 HD1 TRP 1 HD1 TRP 1 9.411 -4.762 2.018 6 HE1 TRP 1 HE1 TRP 1 9.775 -6.767 0.448 7 HE3 TRP 1 HE3 TRP 1 6.528 -3.244 -1.922 8 HZ2 TRP 1 HZ2 TRP 1 8.951 -7.597 -2.122 9 HZ3 TRP 1 HZ3 TRP 1 6.371 -4.701 -3.898 10 HH2 TRP 1 HH2 TRP 1 7.558 -6.833 -3.995 11 HA B3L 2 HQ1 B3L 2 5.827 2.996 1.372 12 HAA B3L 2 HQ2 B3L 2 5.648 3.758 -0.193 13 HB B3L 2 HA B3L 2 5.302 1.776 -1.261 14 HN B3L 2 HN B3L 2 7.564 0.721 -0.489 15 HG B3L 2 HB1 B3L 2 3.805 0.801 0.299 16 HGA B3L 2 HB2 B3L 2 4.090 2.422 0.894 17 HD B3L 2 HG B3L 2 5.975 0.537 2.030 18 H3E2 B3L 2 HD13 B3L 2 4.118 2.663 2.918 19 H2E2 B3L 2 HD11 B3L 2 5.826 2.419 3.286 20 H1E2 B3L 2 HD12 B3L 2 4.601 1.463 4.119 21 H3E1 B3L 2 HD22 B3L 2 3.577 -0.684 1.566 22 H2E1 B3L 2 HD23 B3L 2 3.345 -0.027 3.186 23 H1E1 B3L 2 HD21 B3L 2 4.698 -1.110 2.859 24 HG1 B3A 3 HB1 B3A 3 9.249 6.670 0.694 25 HG2 B3A 3 HB2 B3A 3 9.701 5.276 1.676 26 HG3 B3A 3 HB3 B3A 3 8.009 5.549 1.256 27 HB B3A 3 HA B3A 3 9.362 5.492 -1.189 28 H B3A 3 HN B3A 3 7.582 4.082 -1.506 29 HA1 B3A 3 HQ1 B3A 3 11.226 4.513 -1.014 30 HA2 B3A 3 HQ2 B3A 3 10.097 3.350 -1.667 31 HN UVR 4 HN UVR 4 9.472 1.642 -0.528 32 HA UVR 4 HA UVR 4 11.897 0.319 -0.555 33 HB1 UVR 4 HB1 UVR 4 10.993 -0.697 1.939 34 HB2 UVR 4 HB2 UVR 4 11.083 1.050 2.104 35 HG1 UVR 4 HG1 UVR 4 13.217 0.624 2.648 36 HG2 UVR 4 HG2 UVR 4 13.441 0.568 0.899 37 HD1 UVR 4 HD1 UVR 4 14.468 -1.387 1.656 38 HD2 UVR 4 HD2 UVR 4 12.883 -1.928 1.101 39 HE1 UVR 4 HE1 UVR 4 12.130 -2.355 3.217 40 HE2 UVR 4 HE2 UVR 4 13.161 -1.126 3.948 41 HF1 UVR 4 HF1 UVR 4 14.177 -3.729 2.809 42 HF2 UVR 4 HF2 UVR 4 13.824 -3.457 4.522 43 HY1 UVR 4 HY1 UVR 4 15.259 -2.208 5.880 44 HY2 UVR 4 HY2 UVR 4 15.864 -0.739 5.097 45 HZ1 UVR 4 HZ1 UVR 4 17.493 -3.312 5.493 46 HZ2 UVR 4 HZ2 UVR 4 17.817 -1.783 6.264 47 HZ3 UVR 4 HZ3 UVR 4 18.016 -2.228 4.591 Start of MODEL 9 1 H1 TRP 1 HN TRP 1 8.656 0.069 0.820 2 HA TRP 1 HA TRP 1 7.855 -1.967 -1.056 3 HB2 TRP 1 HB2 TRP 1 8.654 -2.837 1.371 4 HB3 TRP 1 HB1 TRP 1 6.978 -2.447 1.726 5 HD1 TRP 1 HD1 TRP 1 6.702 -3.507 -1.663 6 HE1 TRP 1 HE1 TRP 1 6.167 -6.015 -1.880 7 HE3 TRP 1 HE3 TRP 1 7.913 -5.009 3.073 8 HZ2 TRP 1 HZ2 TRP 1 6.246 -8.325 -0.258 9 HZ3 TRP 1 HZ3 TRP 1 7.654 -7.385 3.658 10 HH2 TRP 1 HH2 TRP 1 6.837 -9.007 2.026 11 HA B3L 2 HQ1 B3L 2 5.830 2.998 1.374 12 HAA B3L 2 HQ2 B3L 2 5.649 3.757 -0.193 13 HB B3L 2 HA B3L 2 5.301 1.775 -1.257 14 HN B3L 2 HN B3L 2 7.567 0.723 -0.478 15 HG B3L 2 HB1 B3L 2 3.811 0.794 0.309 16 HGA B3L 2 HB2 B3L 2 4.090 2.417 0.899 17 HD B3L 2 HG B3L 2 5.991 0.552 2.035 18 H3E2 B3L 2 HD13 B3L 2 4.115 2.660 2.921 19 H2E2 B3L 2 HD11 B3L 2 5.823 2.430 3.295 20 H1E2 B3L 2 HD12 B3L 2 4.600 1.466 4.124 21 H3E1 B3L 2 HD22 B3L 2 4.716 -1.225 2.436 22 H2E1 B3L 2 HD23 B3L 2 3.300 -0.430 1.749 23 H1E1 B3L 2 HD21 B3L 2 3.699 -0.204 3.452 24 HG1 B3A 3 HB1 B3A 3 9.739 5.307 1.657 25 HG2 B3A 3 HB2 B3A 3 8.026 5.508 1.284 26 HG3 B3A 3 HB3 B3A 3 9.202 6.676 0.682 27 HB B3A 3 HA B3A 3 9.361 5.492 -1.191 28 H B3A 3 HN B3A 3 7.580 4.082 -1.505 29 HA1 B3A 3 HQ1 B3A 3 11.222 4.510 -1.029 30 HA2 B3A 3 HQ2 B3A 3 10.089 3.345 -1.668 31 HN UVR 4 HN UVR 4 9.467 1.644 -0.516 32 HA UVR 4 HA UVR 4 11.898 0.321 -0.547 33 HB1 UVR 4 HB1 UVR 4 11.349 -0.848 1.815 34 HB2 UVR 4 HB2 UVR 4 10.757 0.769 2.167 35 HG1 UVR 4 HG1 UVR 4 12.819 1.643 2.271 36 HG2 UVR 4 HG2 UVR 4 13.409 0.675 0.918 37 HD1 UVR 4 HD1 UVR 4 14.068 -1.050 2.253 38 HD2 UVR 4 HD2 UVR 4 12.809 -0.744 3.452 39 HE1 UVR 4 HE1 UVR 4 14.927 -0.215 4.439 40 HE2 UVR 4 HE2 UVR 4 14.059 1.294 4.150 41 HF1 UVR 4 HF1 UVR 4 15.351 1.605 2.066 42 HF2 UVR 4 HF2 UVR 4 16.262 0.136 2.442 43 HY1 UVR 4 HY1 UVR 4 18.173 3.265 3.866 44 HY2 UVR 4 HY2 UVR 4 16.746 3.756 2.936 45 HZ1 UVR 4 HZ1 UVR 4 18.012 1.469 1.624 46 HZ2 UVR 4 HZ2 UVR 4 19.152 2.778 1.766 47 HZ3 UVR 4 HZ3 UVR 4 17.604 2.758 0.968 Start of MODEL 10 1 H1 TRP 1 HN TRP 1 8.656 0.072 0.818 2 HA TRP 1 HA TRP 1 7.854 -1.967 -1.055 3 HB2 TRP 1 HB2 TRP 1 8.665 -2.865 1.339 4 HB3 TRP 1 HB1 TRP 1 7.014 -2.426 1.751 5 HD1 TRP 1 HD1 TRP 1 5.749 -4.661 1.866 6 HE1 TRP 1 HE1 TRP 1 5.457 -6.684 0.301 7 HE3 TRP 1 HE3 TRP 1 9.090 -3.360 -1.779 8 HZ2 TRP 1 HZ2 TRP 1 6.504 -7.606 -2.152 9 HZ3 TRP 1 HZ3 TRP 1 9.385 -4.867 -3.701 10 HH2 TRP 1 HH2 TRP 1 8.119 -6.947 -3.882 11 HA B3L 2 HQ1 B3L 2 5.830 2.997 1.373 12 HAA B3L 2 HQ2 B3L 2 5.649 3.756 -0.193 13 HB B3L 2 HA B3L 2 5.303 1.774 -1.259 14 HN B3L 2 HN B3L 2 7.566 0.722 -0.481 15 HG B3L 2 HB1 B3L 2 3.809 0.796 0.305 16 HGA B3L 2 HB2 B3L 2 4.090 2.419 0.897 17 HD B3L 2 HG B3L 2 5.985 0.544 2.033 18 H3E2 B3L 2 HD13 B3L 2 4.602 1.465 4.122 19 H2E2 B3L 2 HD11 B3L 2 4.118 2.661 2.921 20 H1E2 B3L 2 HD12 B3L 2 5.826 2.424 3.291 21 H3E1 B3L 2 HD22 B3L 2 3.289 -0.424 1.745 22 H2E1 B3L 2 HD23 B3L 2 3.688 -0.198 3.448 23 H1E1 B3L 2 HD21 B3L 2 4.700 -1.226 2.434 24 HG1 B3A 3 HB1 B3A 3 7.991 5.908 1.016 25 HG2 B3A 3 HB2 B3A 3 9.633 6.528 0.842 26 HG3 B3A 3 HB3 B3A 3 9.339 5.055 1.767 27 HB B3A 3 HA B3A 3 9.361 5.492 -1.189 28 H B3A 3 HN B3A 3 7.581 4.082 -1.506 29 HA1 B3A 3 HQ1 B3A 3 11.223 4.511 -1.025 30 HA2 B3A 3 HQ2 B3A 3 10.090 3.346 -1.668 31 HN UVR 4 HN UVR 4 9.468 1.644 -0.518 32 HA UVR 4 HA UVR 4 11.897 0.321 -0.548 33 HB1 UVR 4 HB1 UVR 4 10.578 -0.139 2.113 34 HB2 UVR 4 HB2 UVR 4 11.756 1.152 1.931 35 HG1 UVR 4 HG1 UVR 4 12.968 -1.077 0.789 36 HG2 UVR 4 HG2 UVR 4 12.163 -1.685 2.237 37 HD1 UVR 4 HD1 UVR 4 13.751 0.831 2.422 38 HD2 UVR 4 HD2 UVR 4 14.602 -0.713 2.357 39 HE1 UVR 4 HE1 UVR 4 13.942 -1.317 4.427 40 HE2 UVR 4 HE2 UVR 4 12.339 -0.604 4.236 41 HF1 UVR 4 HF1 UVR 4 14.432 1.413 4.312 42 HF2 UVR 4 HF2 UVR 4 14.414 0.410 5.769 43 HY1 UVR 4 HY1 UVR 4 11.080 2.918 4.984 44 HY2 UVR 4 HY2 UVR 4 11.229 1.608 3.801 45 HZ1 UVR 4 HZ1 UVR 4 13.118 2.696 2.740 46 HZ2 UVR 4 HZ2 UVR 4 13.406 3.762 4.087 47 HZ3 UVR 4 HZ3 UVR 4 12.137 3.824 2.896 Start of MODEL 11 1 H1 TRP 1 HN TRP 1 8.655 0.077 0.811 2 HA TRP 1 HA TRP 1 7.854 -1.965 -1.056 3 HB2 TRP 1 HB2 TRP 1 8.527 -2.614 1.604 4 HB3 TRP 1 HB1 TRP 1 6.771 -2.634 1.522 5 HD1 TRP 1 HD1 TRP 1 8.994 -3.767 -1.401 6 HE1 TRP 1 HE1 TRP 1 8.580 -6.273 -1.815 7 HE3 TRP 1 HE3 TRP 1 5.971 -4.764 2.600 8 HZ2 TRP 1 HZ2 TRP 1 7.160 -8.392 -0.606 9 HZ3 TRP 1 HZ3 TRP 1 5.127 -7.056 2.898 10 HH2 TRP 1 HH2 TRP 1 5.710 -8.831 1.327 11 HA B3L 2 HQ1 B3L 2 5.831 2.992 1.378 12 HAA B3L 2 HQ2 B3L 2 5.644 3.757 -0.185 13 HB B3L 2 HA B3L 2 5.301 1.777 -1.259 14 HN B3L 2 HN B3L 2 7.563 0.723 -0.482 15 HG B3L 2 HB1 B3L 2 3.802 0.804 0.299 16 HGA B3L 2 HB2 B3L 2 4.092 2.421 0.901 17 HD B3L 2 HG B3L 2 5.974 0.528 2.028 18 H3E2 B3L 2 HD13 B3L 2 4.115 2.647 2.930 19 H2E2 B3L 2 HD11 B3L 2 5.826 2.409 3.288 20 H1E2 B3L 2 HD12 B3L 2 4.607 1.445 4.123 21 H3E1 B3L 2 HD22 B3L 2 3.574 -0.687 1.559 22 H2E1 B3L 2 HD23 B3L 2 3.345 -0.039 3.183 23 H1E1 B3L 2 HD21 B3L 2 4.696 -1.122 2.847 24 HG1 B3A 3 HB1 B3A 3 9.748 5.313 1.653 25 HG2 B3A 3 HB2 B3A 3 8.031 5.496 1.293 26 HG3 B3A 3 HB3 B3A 3 9.190 6.676 0.682 27 HB B3A 3 HA B3A 3 9.361 5.492 -1.189 28 H B3A 3 HN B3A 3 7.579 4.083 -1.505 29 HA1 B3A 3 HQ1 B3A 3 11.219 4.508 -1.034 30 HA2 B3A 3 HQ2 B3A 3 10.084 3.341 -1.668 31 HN UVR 4 HN UVR 4 9.468 1.641 -0.515 32 HA UVR 4 HA UVR 4 11.899 0.320 -0.550 33 HB1 UVR 4 HB1 UVR 4 10.584 -0.138 2.115 34 HB2 UVR 4 HB2 UVR 4 11.763 1.152 1.930 35 HG1 UVR 4 HG1 UVR 4 13.510 -0.283 1.701 36 HG2 UVR 4 HG2 UVR 4 12.520 -1.548 0.969 37 HD1 UVR 4 HD1 UVR 4 11.878 -2.404 2.979 38 HD2 UVR 4 HD2 UVR 4 11.958 -0.841 3.793 39 HE1 UVR 4 HE1 UVR 4 14.101 -1.129 4.403 40 HE2 UVR 4 HE2 UVR 4 14.545 -1.841 2.850 41 HF1 UVR 4 HF1 UVR 4 13.100 -3.862 3.785 42 HF2 UVR 4 HF2 UVR 4 13.575 -3.152 5.335 43 HY1 UVR 4 HY1 UVR 4 15.661 -3.751 6.221 44 HY2 UVR 4 HY2 UVR 4 16.788 -2.885 5.164 45 HZ1 UVR 4 HZ1 UVR 4 17.541 -5.251 6.210 46 HZ2 UVR 4 HZ2 UVR 4 17.869 -5.022 4.515 47 HZ3 UVR 4 HZ3 UVR 4 16.599 -5.945 5.267 Start of MODEL 12 1 H1 TRP 1 HN TRP 1 8.659 0.069 0.826 2 HA TRP 1 HA TRP 1 7.855 -1.979 -1.039 3 HB2 TRP 1 HB2 TRP 1 7.476 -2.264 1.937 4 HB3 TRP 1 HB1 TRP 1 6.858 -3.373 0.719 5 HD1 TRP 1 HD1 TRP 1 9.070 -4.380 -0.918 6 HE1 TRP 1 HE1 TRP 1 11.233 -5.429 0.001 7 HE3 TRP 1 HE3 TRP 1 8.976 -2.431 3.808 8 HZ2 TRP 1 HZ2 TRP 1 12.706 -5.431 2.411 9 HZ3 TRP 1 HZ3 TRP 1 10.798 -3.005 5.358 10 HH2 TRP 1 HH2 TRP 1 12.624 -4.475 4.673 11 HA B3L 2 HQ1 B3L 2 5.833 2.986 1.371 12 HAA B3L 2 HQ2 B3L 2 5.648 3.755 -0.189 13 HB B3L 2 HA B3L 2 5.315 1.774 -1.272 14 HN B3L 2 HN B3L 2 7.568 0.717 -0.476 15 HG B3L 2 HB1 B3L 2 3.802 0.807 0.277 16 HGA B3L 2 HB2 B3L 2 4.090 2.425 0.878 17 HD B3L 2 HG B3L 2 5.958 0.526 2.022 18 H3E2 B3L 2 HD13 B3L 2 4.108 2.661 2.909 19 H2E2 B3L 2 HD11 B3L 2 5.815 2.412 3.276 20 H1E2 B3L 2 HD12 B3L 2 4.587 1.458 4.106 21 H3E1 B3L 2 HD22 B3L 2 3.567 -0.687 1.541 22 H2E1 B3L 2 HD23 B3L 2 3.308 -0.014 3.150 23 H1E1 B3L 2 HD21 B3L 2 4.662 -1.105 2.858 24 HG1 B3A 3 HB1 B3A 3 9.246 5.035 1.778 25 HG2 B3A 3 HB2 B3A 3 8.008 5.992 0.966 26 HG3 B3A 3 HB3 B3A 3 9.699 6.486 0.884 27 HB B3A 3 HA B3A 3 9.364 5.493 -1.188 28 H B3A 3 HN B3A 3 7.586 4.083 -1.505 29 HA1 B3A 3 HQ1 B3A 3 11.232 4.522 -0.996 30 HA2 B3A 3 HQ2 B3A 3 10.110 3.362 -1.665 31 HN UVR 4 HN UVR 4 9.474 1.648 -0.540 32 HA UVR 4 HA UVR 4 11.893 0.319 -0.563 33 HB1 UVR 4 HB1 UVR 4 10.747 -0.466 2.026 34 HB2 UVR 4 HB2 UVR 4 11.403 1.165 2.020 35 HG1 UVR 4 HG1 UVR 4 12.938 -1.259 1.114 36 HG2 UVR 4 HG2 UVR 4 12.998 -0.602 2.752 37 HD1 UVR 4 HD1 UVR 4 14.212 1.216 2.129 38 HD2 UVR 4 HD2 UVR 4 13.476 1.293 0.527 39 HE1 UVR 4 HE1 UVR 4 15.125 -1.088 1.010 40 HE2 UVR 4 HE2 UVR 4 16.009 0.439 1.023 41 HF1 UVR 4 HF1 UVR 4 14.064 -0.022 -1.179 42 HF2 UVR 4 HF2 UVR 4 15.598 -0.904 -1.222 43 HY1 UVR 4 HY1 UVR 4 15.848 3.349 -1.387 44 HY2 UVR 4 HY2 UVR 4 14.948 2.675 -0.018 45 HZ1 UVR 4 HZ1 UVR 4 13.256 1.836 -1.900 46 HZ2 UVR 4 HZ2 UVR 4 13.946 3.118 -2.855 47 HZ3 UVR 4 HZ3 UVR 4 13.075 3.224 -1.351 Start of MODEL 13 1 H1 TRP 1 HN TRP 1 8.652 0.062 0.823 2 HA TRP 1 HA TRP 1 7.856 -1.956 -1.073 3 HB2 TRP 1 HB2 TRP 1 8.339 -2.495 1.735 4 HB3 TRP 1 HB1 TRP 1 6.668 -2.823 1.297 5 HD1 TRP 1 HD1 TRP 1 9.891 -4.502 1.444 6 HE1 TRP 1 HE1 TRP 1 9.911 -6.633 0.001 7 HE3 TRP 1 HE3 TRP 1 5.661 -3.664 -1.302 8 HZ2 TRP 1 HZ2 TRP 1 8.341 -7.803 -2.033 9 HZ3 TRP 1 HZ3 TRP 1 4.990 -5.337 -2.977 10 HH2 TRP 1 HH2 TRP 1 6.305 -7.363 -3.333 11 HA B3L 2 HQ1 B3L 2 5.844 2.986 1.393 12 HAA B3L 2 HQ2 B3L 2 5.645 3.757 -0.166 13 HB B3L 2 HA B3L 2 5.297 1.778 -1.244 14 HN B3L 2 HN B3L 2 7.566 0.723 -0.474 15 HG B3L 2 HB1 B3L 2 3.806 0.806 0.320 16 HGA B3L 2 HB2 B3L 2 4.106 2.419 0.930 17 HD B3L 2 HG B3L 2 5.993 0.516 2.030 18 H3E2 B3L 2 HD13 B3L 2 4.637 1.414 4.141 19 H2E2 B3L 2 HD11 B3L 2 4.139 2.627 2.961 20 H1E2 B3L 2 HD12 B3L 2 5.851 2.385 3.308 21 H3E1 B3L 2 HD22 B3L 2 3.376 -0.065 3.199 22 H2E1 B3L 2 HD23 B3L 2 4.724 -1.143 2.840 23 H1E1 B3L 2 HD21 B3L 2 3.590 -0.696 1.567 24 HG1 B3A 3 HB1 B3A 3 9.419 5.090 1.748 25 HG2 B3A 3 HB2 B3A 3 7.991 5.852 1.049 26 HG3 B3A 3 HB3 B3A 3 9.584 6.564 0.794 27 HB B3A 3 HA B3A 3 9.358 5.489 -1.202 28 H B3A 3 HN B3A 3 7.574 4.080 -1.502 29 HA1 B3A 3 HQ1 B3A 3 11.214 4.500 -1.057 30 HA2 B3A 3 HQ2 B3A 3 10.072 3.330 -1.672 31 HN UVR 4 HN UVR 4 9.460 1.643 -0.496 32 HA UVR 4 HA UVR 4 11.901 0.323 -0.527 33 HB1 UVR 4 HB1 UVR 4 11.231 -0.833 1.856 34 HB2 UVR 4 HB2 UVR 4 10.802 0.843 2.169 35 HG1 UVR 4 HG1 UVR 4 13.221 1.233 1.123 36 HG2 UVR 4 HG2 UVR 4 13.455 -0.395 1.761 37 HD1 UVR 4 HD1 UVR 4 14.113 1.101 3.478 38 HD2 UVR 4 HD2 UVR 4 12.543 0.450 3.952 39 HE1 UVR 4 HE1 UVR 4 11.553 2.535 2.836 40 HE2 UVR 4 HE2 UVR 4 13.196 3.178 2.882 41 HF1 UVR 4 HF1 UVR 4 12.450 2.053 5.441 42 HF2 UVR 4 HF2 UVR 4 11.292 3.285 4.922 43 HY1 UVR 4 HY1 UVR 4 13.445 6.110 5.113 44 HY2 UVR 4 HY2 UVR 4 12.356 5.419 3.898 45 HZ1 UVR 4 HZ1 UVR 4 14.131 5.242 2.377 46 HZ2 UVR 4 HZ2 UVR 4 15.239 4.617 3.567 47 HZ3 UVR 4 HZ3 UVR 4 14.852 6.275 3.196 Start of MODEL 14 1 H1 TRP 1 HN TRP 1 8.657 0.077 0.813 2 HA TRP 1 HA TRP 1 7.854 -1.970 -1.050 3 HB2 TRP 1 HB2 TRP 1 8.678 -2.902 1.299 4 HB3 TRP 1 HB1 TRP 1 7.069 -2.391 1.788 5 HD1 TRP 1 HD1 TRP 1 5.267 -4.190 1.541 6 HE1 TRP 1 HE1 TRP 1 4.985 -6.347 0.166 7 HE3 TRP 1 HE3 TRP 1 9.551 -3.944 -1.239 8 HZ2 TRP 1 HZ2 TRP 1 6.394 -7.758 -1.833 9 HZ3 TRP 1 HZ3 TRP 1 10.009 -5.738 -2.858 10 HH2 TRP 1 HH2 TRP 1 8.463 -7.605 -3.148 11 HA B3L 2 HQ1 B3L 2 5.827 2.995 1.371 12 HAA B3L 2 HQ2 B3L 2 5.647 3.756 -0.194 13 HB B3L 2 HA B3L 2 5.305 1.776 -1.264 14 HN B3L 2 HN B3L 2 7.565 0.721 -0.485 15 HG B3L 2 HB1 B3L 2 3.803 0.804 0.292 16 HGA B3L 2 HB2 B3L 2 4.090 2.422 0.892 17 HD B3L 2 HG B3L 2 5.972 0.534 2.027 18 H3E2 B3L 2 HD13 B3L 2 5.819 2.411 3.291 19 H2E2 B3L 2 HD11 B3L 2 4.588 1.455 4.115 20 H1E2 B3L 2 HD12 B3L 2 4.114 2.658 2.916 21 H3E1 B3L 2 HD22 B3L 2 3.344 -0.037 3.180 22 H2E1 B3L 2 HD23 B3L 2 4.695 -1.118 2.842 23 H1E1 B3L 2 HD21 B3L 2 3.571 -0.683 1.556 24 HG1 B3A 3 HB1 B3A 3 8.037 5.478 1.307 25 HG2 B3A 3 HB2 B3A 3 9.162 6.679 0.677 26 HG3 B3A 3 HB3 B3A 3 9.761 5.334 1.647 27 HB B3A 3 HA B3A 3 9.361 5.492 -1.187 28 H B3A 3 HN B3A 3 7.582 4.082 -1.505 29 HA1 B3A 3 HQ1 B3A 3 11.225 4.513 -1.016 30 HA2 B3A 3 HQ2 B3A 3 10.096 3.349 -1.667 31 HN UVR 4 HN UVR 4 9.471 1.643 -0.526 32 HA UVR 4 HA UVR 4 11.897 0.320 -0.556 33 HB1 UVR 4 HB1 UVR 4 11.165 -0.791 1.876 34 HB2 UVR 4 HB2 UVR 4 10.916 0.929 2.139 35 HG1 UVR 4 HG1 UVR 4 13.106 1.356 2.204 36 HG2 UVR 4 HG2 UVR 4 13.447 0.306 0.826 37 HD1 UVR 4 HD1 UVR 4 12.977 -0.602 3.665 38 HD2 UVR 4 HD2 UVR 4 14.543 -0.504 2.858 39 HE1 UVR 4 HE1 UVR 4 14.253 -2.572 2.101 40 HE2 UVR 4 HE2 UVR 4 12.863 -2.010 1.170 41 HF1 UVR 4 HF1 UVR 4 11.822 -3.609 2.421 42 HF2 UVR 4 HF2 UVR 4 11.674 -2.248 3.543 43 HY1 UVR 4 HY1 UVR 4 13.126 -4.687 5.929 44 HY2 UVR 4 HY2 UVR 4 11.589 -3.949 5.450 45 HZ1 UVR 4 HZ1 UVR 4 12.356 -1.751 6.148 46 HZ2 UVR 4 HZ2 UVR 4 14.025 -2.241 6.236 47 HZ3 UVR 4 HZ3 UVR 4 12.714 -2.624 7.318 Start of MODEL 15 1 H1 TRP 1 HN TRP 1 8.979 0.170 -0.986 2 HA TRP 1 HA TRP 1 7.406 -1.641 -1.226 3 HB2 TRP 1 HB2 TRP 1 8.151 -2.218 1.637 4 HB3 TRP 1 HB1 TRP 1 6.854 -2.980 0.735 5 HD1 TRP 1 HD1 TRP 1 8.942 -3.146 -1.936 6 HE1 TRP 1 HE1 TRP 1 10.545 -5.159 -1.968 7 HE3 TRP 1 HE3 TRP 1 8.750 -4.418 3.012 8 HZ2 TRP 1 HZ2 TRP 1 11.591 -7.036 -0.140 9 HZ3 TRP 1 HZ3 TRP 1 10.082 -6.336 3.789 10 HH2 TRP 1 HH2 TRP 1 11.472 -7.617 2.244 11 HA B3L 2 HQ1 B3L 2 5.879 2.652 1.643 12 HAA B3L 2 HQ2 B3L 2 5.517 3.715 0.302 13 HB B3L 2 HA B3L 2 4.919 1.994 -1.060 14 HN B3L 2 HN B3L 2 6.596 0.400 -1.450 15 HG B3L 2 HB1 B3L 2 3.732 2.177 0.981 16 HGA B3L 2 HB2 B3L 2 4.966 1.301 1.874 17 HD B3L 2 HG B3L 2 4.331 -0.757 0.831 18 H3E2 B3L 2 HD13 B3L 2 1.819 0.593 1.774 19 H2E2 B3L 2 HD11 B3L 2 3.130 0.136 2.861 20 H1E2 B3L 2 HD12 B3L 2 2.274 -1.103 1.943 21 H3E1 B3L 2 HD22 B3L 2 2.023 0.601 -0.510 22 H2E1 B3L 2 HD23 B3L 2 2.694 -1.003 -0.808 23 H1E1 B3L 2 HD21 B3L 2 3.579 0.433 -1.323 24 HG1 B3A 3 HB1 B3A 3 9.566 4.812 1.721 25 HG2 B3A 3 HB2 B3A 3 8.062 5.573 1.200 26 HG3 B3A 3 HB3 B3A 3 9.610 6.332 0.826 27 HB B3A 3 HA B3A 3 9.230 5.356 -1.179 28 H B3A 3 HN B3A 3 7.413 3.943 -1.386 29 HA1 B3A 3 HQ1 B3A 3 10.940 4.274 -1.504 30 HA2 B3A 3 HQ2 B3A 3 9.733 3.024 -1.692 31 HN UVR 4 HN UVR 4 9.498 1.520 -0.291 32 HA UVR 4 HA UVR 4 11.676 0.036 -0.874 33 HB1 UVR 4 HB1 UVR 4 11.568 0.439 2.111 34 HB2 UVR 4 HB2 UVR 4 12.750 1.235 1.087 35 HG1 UVR 4 HG1 UVR 4 13.823 -0.782 0.562 36 HG2 UVR 4 HG2 UVR 4 12.469 -1.748 1.152 37 HD1 UVR 4 HD1 UVR 4 14.080 0.044 2.951 38 HD2 UVR 4 HD2 UVR 4 14.522 -1.637 2.644 39 HE1 UVR 4 HE1 UVR 4 11.897 -0.685 3.789 40 HE2 UVR 4 HE2 UVR 4 13.219 -1.415 4.704 41 HF1 UVR 4 HF1 UVR 4 12.836 -3.281 2.766 42 HF2 UVR 4 HF2 UVR 4 11.189 -2.671 2.982 43 HY1 UVR 4 HY1 UVR 4 10.872 -4.126 6.409 44 HY2 UVR 4 HY2 UVR 4 9.931 -3.695 4.971 45 HZ1 UVR 4 HZ1 UVR 4 11.570 -1.587 6.460 46 HZ2 UVR 4 HZ2 UVR 4 9.882 -1.847 6.804 47 HZ3 UVR 4 HZ3 UVR 4 10.622 -1.265 5.338 Start of MODEL 16 1 H1 TRP 1 HN TRP 1 8.673 0.017 0.890 2 HA TRP 1 HA TRP 1 7.866 -1.998 -1.022 3 HB2 TRP 1 HB2 TRP 1 7.269 -2.283 1.909 4 HB3 TRP 1 HB1 TRP 1 6.945 -3.461 0.643 5 HD1 TRP 1 HD1 TRP 1 9.122 -4.787 -0.355 6 HE1 TRP 1 HE1 TRP 1 11.362 -5.380 0.765 7 HE3 TRP 1 HE3 TRP 1 8.964 -1.508 3.566 8 HZ2 TRP 1 HZ2 TRP 1 12.864 -4.565 3.012 9 HZ3 TRP 1 HZ3 TRP 1 10.843 -1.479 5.155 10 HH2 TRP 1 HH2 TRP 1 12.751 -2.977 4.883 11 HA B3L 2 HQ1 B3L 2 5.834 2.979 1.369 12 HAA B3L 2 HQ2 B3L 2 5.651 3.751 -0.191 13 HB B3L 2 HA B3L 2 5.337 1.767 -1.283 14 HN B3L 2 HN B3L 2 7.586 0.713 -0.431 15 HG B3L 2 HB1 B3L 2 3.802 0.821 0.249 16 HGA B3L 2 HB2 B3L 2 4.102 2.432 0.863 17 HD B3L 2 HG B3L 2 5.950 0.527 2.015 18 H3E2 B3L 2 HD13 B3L 2 4.531 1.419 4.086 19 H2E2 B3L 2 HD11 B3L 2 4.063 2.632 2.894 20 H1E2 B3L 2 HD12 B3L 2 5.766 2.395 3.290 21 H3E1 B3L 2 HD22 B3L 2 3.564 -0.691 1.480 22 H2E1 B3L 2 HD23 B3L 2 3.299 -0.064 3.106 23 H1E1 B3L 2 HD21 B3L 2 4.661 -1.137 2.786 24 HG1 B3A 3 HB1 B3A 3 7.983 5.663 1.184 25 HG2 B3A 3 HB2 B3A 3 9.385 6.639 0.752 26 HG3 B3A 3 HB3 B3A 3 9.591 5.186 1.728 27 HB B3A 3 HA B3A 3 9.364 5.502 -1.178 28 H B3A 3 HN B3A 3 7.593 4.080 -1.505 29 HA1 B3A 3 HQ1 B3A 3 11.229 4.526 -1.011 30 HA2 B3A 3 HQ2 B3A 3 10.102 3.364 -1.666 31 HN UVR 4 HN UVR 4 9.463 1.661 -0.515 32 HA UVR 4 HA UVR 4 11.882 0.323 -0.560 33 HB1 UVR 4 HB1 UVR 4 11.181 -0.840 1.832 34 HB2 UVR 4 HB2 UVR 4 10.841 0.853 2.148 35 HG1 UVR 4 HG1 UVR 4 13.120 0.063 2.818 36 HG2 UVR 4 HG2 UVR 4 13.091 1.476 1.767 37 HD1 UVR 4 HD1 UVR 4 14.825 -0.229 1.180 38 HD2 UVR 4 HD2 UVR 4 13.722 0.182 -0.132 39 HE1 UVR 4 HE1 UVR 4 12.443 -1.839 0.263 40 HE2 UVR 4 HE2 UVR 4 13.459 -2.237 1.651 41 HF1 UVR 4 HF1 UVR 4 15.188 -2.949 0.354 42 HF2 UVR 4 HF2 UVR 4 14.845 -1.777 -0.928 43 HY1 UVR 4 HY1 UVR 4 14.826 -4.764 -2.354 44 HY2 UVR 4 HY2 UVR 4 14.619 -3.081 -2.869 45 HZ1 UVR 4 HZ1 UVR 4 13.134 -4.464 -4.299 46 HZ2 UVR 4 HZ2 UVR 4 12.039 -3.773 -3.134 47 HZ3 UVR 4 HZ3 UVR 4 12.684 -5.389 -3.204 Start of MODEL 17 1 H1 TRP 1 HN TRP 1 8.651 -0.015 0.892 2 HA TRP 1 HA TRP 1 7.896 -1.957 -1.103 3 HB2 TRP 1 HB2 TRP 1 8.579 -2.853 1.387 4 HB3 TRP 1 HB1 TRP 1 6.852 -2.575 1.577 5 HD1 TRP 1 HD1 TRP 1 5.352 -4.536 0.895 6 HE1 TRP 1 HE1 TRP 1 5.634 -6.665 -0.523 7 HE3 TRP 1 HE3 TRP 1 10.078 -3.714 -0.871 8 HZ2 TRP 1 HZ2 TRP 1 7.601 -7.842 -2.172 9 HZ3 TRP 1 HZ3 TRP 1 11.088 -5.391 -2.363 10 HH2 TRP 1 HH2 TRP 1 9.874 -7.411 -2.999 11 HA B3L 2 HQ1 B3L 2 5.837 3.057 1.383 12 HAA B3L 2 HQ2 B3L 2 5.665 3.759 -0.214 13 HB B3L 2 HA B3L 2 5.298 1.745 -1.196 14 HN B3L 2 HN B3L 2 7.593 0.737 -0.307 15 HG B3L 2 HB1 B3L 2 3.742 0.988 0.329 16 HGA B3L 2 HB2 B3L 2 4.252 2.468 1.108 17 HD B3L 2 HG B3L 2 5.060 -0.342 1.790 18 H3E2 B3L 2 HD13 B3L 2 6.529 0.481 3.465 19 H2E2 B3L 2 HD11 B3L 2 6.053 2.149 3.143 20 H1E2 B3L 2 HD12 B3L 2 6.983 1.250 1.944 21 H3E1 B3L 2 HD22 B3L 2 4.177 0.715 4.073 22 H2E1 B3L 2 HD23 B3L 2 3.115 -0.088 2.916 23 H1E1 B3L 2 HD21 B3L 2 3.232 1.672 2.933 24 HG1 B3A 3 HB1 B3A 3 9.520 6.630 0.686 25 HG2 B3A 3 HB2 B3A 3 9.497 5.182 1.693 26 HG3 B3A 3 HB3 B3A 3 7.991 5.821 1.034 27 HB B3A 3 HA B3A 3 9.368 5.470 -1.252 28 H B3A 3 HN B3A 3 7.590 4.048 -1.523 29 HA1 B3A 3 HQ1 B3A 3 11.241 4.508 -1.034 30 HA2 B3A 3 HQ2 B3A 3 10.120 3.336 -1.680 31 HN UVR 4 HN UVR 4 9.463 1.663 -0.502 32 HA UVR 4 HA UVR 4 11.899 0.326 -0.465 33 HB1 UVR 4 HB1 UVR 4 10.414 0.187 2.175 34 HB2 UVR 4 HB2 UVR 4 11.948 1.011 1.930 35 HG1 UVR 4 HG1 UVR 4 13.133 -0.942 1.771 36 HG2 UVR 4 HG2 UVR 4 11.738 -1.871 1.216 37 HD1 UVR 4 HD1 UVR 4 11.410 -0.766 3.900 38 HD2 UVR 4 HD2 UVR 4 12.760 -1.893 3.762 39 HE1 UVR 4 HE1 UVR 4 10.857 -3.240 2.398 40 HE2 UVR 4 HE2 UVR 4 9.861 -2.379 3.572 41 HF1 UVR 4 HF1 UVR 4 12.241 -3.562 4.771 42 HF2 UVR 4 HF2 UVR 4 11.188 -4.761 4.009 43 HY1 UVR 4 HY1 UVR 4 10.906 -2.923 7.502 44 HY2 UVR 4 HY2 UVR 4 11.747 -4.390 6.977 45 HZ1 UVR 4 HZ1 UVR 4 10.223 -5.304 8.592 46 HZ2 UVR 4 HZ2 UVR 4 9.136 -5.346 7.231 47 HZ3 UVR 4 HZ3 UVR 4 9.222 -4.184 8.526 Start of MODEL 18 1 H1 TRP 1 HN TRP 1 9.168 -0.619 -1.410 2 HA TRP 1 HA TRP 1 7.474 -2.177 -1.271 3 HB2 TRP 1 HB2 TRP 1 8.175 -2.304 1.656 4 HB3 TRP 1 HB1 TRP 1 6.962 -3.309 0.879 5 HD1 TRP 1 HD1 TRP 1 10.784 -2.696 0.739 6 HE1 TRP 1 HE1 TRP 1 11.913 -4.886 -0.007 7 HE3 TRP 1 HE3 TRP 1 6.605 -5.500 -0.165 8 HZ2 TRP 1 HZ2 TRP 1 11.136 -7.460 -0.864 9 HZ3 TRP 1 HZ3 TRP 1 6.885 -7.817 -0.946 10 HH2 TRP 1 HH2 TRP 1 9.104 -8.776 -1.288 11 HA B3L 2 HQ1 B3L 2 6.176 2.880 1.645 12 HAA B3L 2 HQ2 B3L 2 5.760 3.719 0.171 13 HB B3L 2 HA B3L 2 5.248 1.803 -0.929 14 HN B3L 2 HN B3L 2 7.548 0.639 -0.733 15 HG B3L 2 HB1 B3L 2 4.038 0.689 0.794 16 HGA B3L 2 HB2 B3L 2 4.352 2.309 1.376 17 HD B3L 2 HG B3L 2 6.422 0.429 2.183 18 H3E2 B3L 2 HD13 B3L 2 6.523 2.254 3.501 19 H2E2 B3L 2 HD11 B3L 2 5.328 1.380 4.461 20 H1E2 B3L 2 HD12 B3L 2 4.807 2.614 3.314 21 H3E1 B3L 2 HD22 B3L 2 3.732 -0.536 2.291 22 H2E1 B3L 2 HD23 B3L 2 4.311 -0.248 3.930 23 H1E1 B3L 2 HD21 B3L 2 5.212 -1.312 2.851 24 HG1 B3A 3 HB1 B3A 3 8.695 6.680 0.524 25 HG2 B3A 3 HB2 B3A 3 10.148 5.925 1.180 26 HG3 B3A 3 HB3 B3A 3 8.561 5.251 1.549 27 HB B3A 3 HA B3A 3 9.341 5.492 -1.317 28 H B3A 3 HN B3A 3 7.486 4.149 -1.398 29 HA1 B3A 3 HQ1 B3A 3 11.240 4.543 -1.155 30 HA2 B3A 3 HQ2 B3A 3 10.082 3.382 -1.761 31 HN UVR 4 HN UVR 4 9.384 1.772 -0.478 32 HA UVR 4 HA UVR 4 11.261 0.045 -0.861 33 HB1 UVR 4 HB1 UVR 4 12.798 0.889 0.768 34 HB2 UVR 4 HB2 UVR 4 12.167 -0.644 1.344 35 HG1 UVR 4 HG1 UVR 4 10.431 1.102 2.490 36 HG2 UVR 4 HG2 UVR 4 11.924 2.040 2.493 37 HD1 UVR 4 HD1 UVR 4 12.259 0.951 4.446 38 HD2 UVR 4 HD2 UVR 4 12.881 -0.303 3.371 39 HE1 UVR 4 HE1 UVR 4 9.977 -0.378 3.821 40 HE2 UVR 4 HE2 UVR 4 10.963 -0.706 5.246 41 HF1 UVR 4 HF1 UVR 4 12.257 -2.312 3.658 42 HF2 UVR 4 HF2 UVR 4 10.790 -2.224 2.673 43 HY1 UVR 4 HY1 UVR 4 9.780 -4.299 2.990 44 HY2 UVR 4 HY2 UVR 4 8.553 -3.796 4.165 45 HZ1 UVR 4 HZ1 UVR 4 9.486 -6.339 4.211 46 HZ2 UVR 4 HZ2 UVR 4 9.302 -5.539 5.748 47 HZ3 UVR 4 HZ3 UVR 4 10.755 -5.823 4.832 Start of MODEL 19 1 H1 TRP 1 HN TRP 1 8.654 0.073 0.812 2 HA TRP 1 HA TRP 1 7.855 -1.962 -1.063 3 HB2 TRP 1 HB2 TRP 1 8.572 -2.675 1.538 4 HB3 TRP 1 HB1 TRP 1 6.817 -2.589 1.571 5 HD1 TRP 1 HD1 TRP 1 9.672 -4.712 0.304 6 HE1 TRP 1 HE1 TRP 1 8.733 -6.844 -0.791 7 HE3 TRP 1 HE3 TRP 1 4.718 -3.454 0.199 8 HZ2 TRP 1 HZ2 TRP 1 6.223 -7.857 -1.592 9 HZ3 TRP 1 HZ3 TRP 1 3.113 -5.061 -0.749 10 HH2 TRP 1 HH2 TRP 1 3.852 -7.216 -1.626 11 HA B3L 2 HQ1 B3L 2 5.838 2.989 1.385 12 HAA B3L 2 HQ2 B3L 2 5.646 3.757 -0.176 13 HB B3L 2 HA B3L 2 5.300 1.778 -1.254 14 HN B3L 2 HN B3L 2 7.564 0.723 -0.480 15 HG B3L 2 HB1 B3L 2 3.803 0.809 0.308 16 HGA B3L 2 HB2 B3L 2 4.100 2.424 0.913 17 HD B3L 2 HG B3L 2 5.982 0.528 2.030 18 H3E2 B3L 2 HD13 B3L 2 4.611 1.434 4.129 19 H2E2 B3L 2 HD11 B3L 2 4.124 2.642 2.941 20 H1E2 B3L 2 HD12 B3L 2 5.833 2.399 3.302 21 H3E1 B3L 2 HD22 B3L 2 4.710 -1.132 2.836 22 H2E1 B3L 2 HD23 B3L 2 3.578 -0.686 1.561 23 H1E1 B3L 2 HD21 B3L 2 3.362 -0.053 3.192 24 HG1 B3A 3 HB1 B3A 3 9.682 5.256 1.681 25 HG2 B3A 3 HB2 B3A 3 8.006 5.578 1.233 26 HG3 B3A 3 HB3 B3A 3 9.287 6.665 0.696 27 HB B3A 3 HA B3A 3 9.361 5.490 -1.195 28 H B3A 3 HN B3A 3 7.577 4.083 -1.505 29 HA1 B3A 3 HQ1 B3A 3 11.221 4.506 -1.032 30 HA2 B3A 3 HQ2 B3A 3 10.086 3.341 -1.668 31 HN UVR 4 HN UVR 4 9.467 1.642 -0.517 32 HA UVR 4 HA UVR 4 11.900 0.321 -0.540 33 HB1 UVR 4 HB1 UVR 4 10.551 0.327 2.173 34 HB2 UVR 4 HB2 UVR 4 12.147 0.965 1.805 35 HG1 UVR 4 HG1 UVR 4 11.434 -1.927 1.423 36 HG2 UVR 4 HG2 UVR 4 12.062 -1.288 2.942 37 HD1 UVR 4 HD1 UVR 4 13.436 -1.172 0.259 38 HD2 UVR 4 HD2 UVR 4 13.857 -2.238 1.599 39 HE1 UVR 4 HE1 UVR 4 14.069 0.768 1.520 40 HE2 UVR 4 HE2 UVR 4 15.390 -0.397 1.599 41 HF1 UVR 4 HF1 UVR 4 13.307 0.019 3.746 42 HF2 UVR 4 HF2 UVR 4 14.963 0.643 3.783 43 HY1 UVR 4 HY1 UVR 4 14.585 -3.006 5.454 44 HY2 UVR 4 HY2 UVR 4 13.073 -2.194 5.013 45 HZ1 UVR 4 HZ1 UVR 4 14.261 -0.071 6.159 46 HZ2 UVR 4 HZ2 UVR 4 15.139 -1.290 7.039 47 HZ3 UVR 4 HZ3 UVR 4 13.425 -0.989 7.007 Start of MODEL 20 1 H1 TRP 1 HN TRP 1 8.637 -0.081 0.945 2 HA TRP 1 HA TRP 1 7.956 -1.951 -1.138 3 HB2 TRP 1 HB2 TRP 1 7.551 -2.439 1.808 4 HB3 TRP 1 HB1 TRP 1 6.676 -3.335 0.571 5 HD1 TRP 1 HD1 TRP 1 9.279 -3.642 -1.396 6 HE1 TRP 1 HE1 TRP 1 11.054 -5.394 -0.757 7 HE3 TRP 1 HE3 TRP 1 8.174 -4.144 3.572 8 HZ2 TRP 1 HZ2 TRP 1 11.876 -6.803 1.548 9 HZ3 TRP 1 HZ3 TRP 1 9.502 -5.715 4.922 10 HH2 TRP 1 HH2 TRP 1 11.314 -7.016 3.929 11 HA B3L 2 HQ1 B3L 2 5.938 2.982 1.493 12 HAA B3L 2 HQ2 B3L 2 5.648 3.760 -0.050 13 HB B3L 2 HA B3L 2 5.308 1.763 -1.140 14 HN B3L 2 HN B3L 2 7.579 0.732 -0.056 15 HG B3L 2 HB1 B3L 2 3.942 2.422 0.739 16 HGA B3L 2 HB2 B3L 2 5.041 1.654 1.879 17 HD B3L 2 HG B3L 2 4.397 -0.511 1.085 18 H3E2 B3L 2 HD13 B3L 2 2.050 1.220 1.827 19 H2E2 B3L 2 HD11 B3L 2 3.194 0.483 2.950 20 H1E2 B3L 2 HD12 B3L 2 2.124 -0.535 1.985 21 H3E1 B3L 2 HD22 B3L 2 3.674 0.618 -1.228 22 H2E1 B3L 2 HD23 B3L 2 2.094 0.526 -0.449 23 H1E1 B3L 2 HD21 B3L 2 3.046 -0.939 -0.690 24 HG1 B3A 3 HB1 B3A 3 9.842 5.452 1.499 25 HG2 B3A 3 HB2 B3A 3 8.101 5.530 1.228 26 HG3 B3A 3 HB3 B3A 3 9.164 6.727 0.486 27 HB B3A 3 HA B3A 3 9.358 5.444 -1.315 28 H B3A 3 HN B3A 3 7.559 4.028 -1.513 29 HA1 B3A 3 HQ1 B3A 3 11.220 4.470 -1.137 30 HA2 B3A 3 HQ2 B3A 3 10.073 3.279 -1.701 31 HN UVR 4 HN UVR 4 9.438 1.671 -0.434 32 HA UVR 4 HA UVR 4 11.900 0.335 -0.376 33 HB1 UVR 4 HB1 UVR 4 10.921 -0.809 1.954 34 HB2 UVR 4 HB2 UVR 4 10.673 0.910 2.227 35 HG1 UVR 4 HG1 UVR 4 12.778 0.940 2.942 36 HG2 UVR 4 HG2 UVR 4 13.231 0.820 1.241 37 HD1 UVR 4 HD1 UVR 4 13.171 -1.666 1.478 38 HD2 UVR 4 HD2 UVR 4 12.929 -1.440 3.211 39 HE1 UVR 4 HE1 UVR 4 15.224 -1.742 3.050 40 HE2 UVR 4 HE2 UVR 4 15.062 0.016 3.082 41 HF1 UVR 4 HF1 UVR 4 14.951 -0.296 0.459 42 HF2 UVR 4 HF2 UVR 4 15.833 -1.783 0.838 43 HY1 UVR 4 HY1 UVR 4 16.411 1.255 -0.334 44 HY2 UVR 4 HY2 UVR 4 18.105 1.298 0.185 45 HZ1 UVR 4 HZ1 UVR 4 16.096 2.354 2.167 46 HZ2 UVR 4 HZ2 UVR 4 16.489 3.390 0.823 47 HZ3 UVR 4 HZ3 UVR 4 17.538 2.766 2.066 Start of MODEL 21 1 H1 TRP 1 HN TRP 1 8.623 -0.001 0.867 2 HA TRP 1 HA TRP 1 7.949 -1.933 -1.149 3 HB2 TRP 1 HB2 TRP 1 8.117 -2.540 1.714 4 HB3 TRP 1 HB1 TRP 1 6.572 -2.976 0.992 5 HD1 TRP 1 HD1 TRP 1 10.332 -3.754 0.656 6 HE1 TRP 1 HE1 TRP 1 10.580 -6.068 -0.445 7 HE3 TRP 1 HE3 TRP 1 5.418 -4.675 -0.414 8 HZ2 TRP 1 HZ2 TRP 1 8.914 -8.024 -1.613 9 HZ3 TRP 1 HZ3 TRP 1 4.830 -6.790 -1.524 10 HH2 TRP 1 HH2 TRP 1 6.543 -8.429 -2.111 11 HA B3L 2 HQ1 B3L 2 5.920 2.995 1.493 12 HAA B3L 2 HQ2 B3L 2 5.637 3.766 -0.056 13 HB B3L 2 HA B3L 2 5.282 1.769 -1.131 14 HN B3L 2 HN B3L 2 7.564 0.745 -0.070 15 HG B3L 2 HB1 B3L 2 3.923 2.416 0.754 16 HGA B3L 2 HB2 B3L 2 5.036 1.662 1.889 17 HD B3L 2 HG B3L 2 4.403 -0.512 1.109 18 H3E2 B3L 2 HD13 B3L 2 1.978 -0.412 1.871 19 H2E2 B3L 2 HD11 B3L 2 2.220 1.329 2.016 20 H1E2 B3L 2 HD12 B3L 2 3.196 0.221 2.980 21 H3E1 B3L 2 HD22 B3L 2 3.832 0.116 -1.213 22 H2E1 B3L 2 HD23 B3L 2 2.363 0.888 -0.613 23 H1E1 B3L 2 HD21 B3L 2 2.579 -0.854 -0.441 24 HG1 B3A 3 HB1 B3A 3 9.508 5.189 1.638 25 HG2 B3A 3 HB2 B3A 3 8.021 5.861 0.973 26 HG3 B3A 3 HB3 B3A 3 9.571 6.619 0.608 27 HB B3A 3 HA B3A 3 9.350 5.438 -1.314 28 H B3A 3 HN B3A 3 7.549 4.026 -1.514 29 HA1 B3A 3 HQ1 B3A 3 11.202 4.449 -1.168 30 HA2 B3A 3 HQ2 B3A 3 10.043 3.254 -1.699 31 HN UVR 4 HN UVR 4 9.445 1.645 -0.427 32 HA UVR 4 HA UVR 4 11.907 0.335 -0.409 33 HB1 UVR 4 HB1 UVR 4 11.098 1.146 2.178 34 HB2 UVR 4 HB2 UVR 4 12.414 0.064 1.763 35 HG1 UVR 4 HG1 UVR 4 11.335 -1.347 3.121 36 HG2 UVR 4 HG2 UVR 4 10.354 -1.674 1.694 37 HD1 UVR 4 HD1 UVR 4 8.621 -1.154 3.025 38 HD2 UVR 4 HD2 UVR 4 9.104 0.516 2.727 39 HE1 UVR 4 HE1 UVR 4 9.421 0.768 4.911 40 HE2 UVR 4 HE2 UVR 4 10.740 -0.402 4.816 41 HF1 UVR 4 HF1 UVR 4 9.455 -2.125 5.609 42 HF2 UVR 4 HF2 UVR 4 7.953 -1.438 4.976 43 HY1 UVR 4 HY1 UVR 4 9.390 0.066 8.694 44 HY2 UVR 4 HY2 UVR 4 10.196 0.744 7.269 45 HZ1 UVR 4 HZ1 UVR 4 11.688 -1.075 7.191 46 HZ2 UVR 4 HZ2 UVR 4 10.482 -2.247 7.641 47 HZ3 UVR 4 HZ3 UVR 4 11.429 -1.204 8.665 Start of MODEL 22 1 H1 TRP 1 HN TRP 1 8.652 0.103 0.781 2 HA TRP 1 HA TRP 1 7.849 -1.964 -1.051 3 HB2 TRP 1 HB2 TRP 1 8.560 -2.621 1.584 4 HB3 TRP 1 HB1 TRP 1 6.804 -2.596 1.563 5 HD1 TRP 1 HD1 TRP 1 9.760 -4.651 0.457 6 HE1 TRP 1 HE1 TRP 1 8.933 -6.817 -0.660 7 HE3 TRP 1 HE3 TRP 1 4.790 -3.520 0.070 8 HZ2 TRP 1 HZ2 TRP 1 6.497 -7.904 -1.582 9 HZ3 TRP 1 HZ3 TRP 1 3.279 -5.176 -0.942 10 HH2 TRP 1 HH2 TRP 1 4.115 -7.323 -1.751 11 HA B3L 2 HQ1 B3L 2 5.816 3.006 1.365 12 HAA B3L 2 HQ2 B3L 2 5.645 3.758 -0.205 13 HB B3L 2 HA B3L 2 5.294 1.775 -1.262 14 HN B3L 2 HN B3L 2 7.557 0.724 -0.498 15 HG B3L 2 HB1 B3L 2 3.806 0.788 0.306 16 HGA B3L 2 HB2 B3L 2 4.076 2.414 0.890 17 HD B3L 2 HG B3L 2 5.981 0.555 2.035 18 H3E2 B3L 2 HD13 B3L 2 5.821 2.440 3.282 19 H2E2 B3L 2 HD11 B3L 2 4.597 1.485 4.120 20 H1E2 B3L 2 HD12 B3L 2 4.113 2.674 2.910 21 H3E1 B3L 2 HD22 B3L 2 3.296 -0.431 1.750 22 H2E1 B3L 2 HD23 B3L 2 3.677 -0.179 3.452 23 H1E1 B3L 2 HD21 B3L 2 4.704 -1.214 2.463 24 HG1 B3A 3 HB1 B3A 3 7.990 5.911 1.015 25 HG2 B3A 3 HB2 B3A 3 9.638 6.518 0.852 26 HG3 B3A 3 HB3 B3A 3 9.327 5.045 1.772 27 HB B3A 3 HA B3A 3 9.360 5.490 -1.185 28 H B3A 3 HN B3A 3 7.581 4.081 -1.507 29 HA1 B3A 3 HQ1 B3A 3 11.220 4.508 -1.023 30 HA2 B3A 3 HQ2 B3A 3 10.087 3.343 -1.667 31 HN UVR 4 HN UVR 4 9.474 1.636 -0.526 32 HA UVR 4 HA UVR 4 11.899 0.318 -0.567 33 HB1 UVR 4 HB1 UVR 4 12.329 0.831 1.712 34 HB2 UVR 4 HB2 UVR 4 11.748 -0.828 1.706 35 HG1 UVR 4 HG1 UVR 4 9.667 1.215 2.056 36 HG2 UVR 4 HG2 UVR 4 10.847 1.104 3.363 37 HD1 UVR 4 HD1 UVR 4 10.305 -1.521 2.917 38 HD2 UVR 4 HD2 UVR 4 8.745 -0.780 2.554 39 HE1 UVR 4 HE1 UVR 4 8.750 -1.338 4.872 40 HE2 UVR 4 HE2 UVR 4 8.900 0.416 4.749 41 HF1 UVR 4 HF1 UVR 4 10.514 -0.076 6.329 42 HF2 UVR 4 HF2 UVR 4 11.467 -0.088 4.838 43 HY1 UVR 4 HY1 UVR 4 12.700 -2.534 6.903 44 HY2 UVR 4 HY2 UVR 4 13.138 -1.609 5.456 45 HZ1 UVR 4 HZ1 UVR 4 13.285 -4.451 5.712 46 HZ2 UVR 4 HZ2 UVR 4 13.323 -3.618 4.183 47 HZ3 UVR 4 HZ3 UVR 4 11.969 -4.354 4.993 Start of MODEL 23 1 H1 TRP 1 HN TRP 1 8.637 -0.078 0.943 2 HA TRP 1 HA TRP 1 7.956 -1.954 -1.134 3 HB2 TRP 1 HB2 TRP 1 7.719 -2.453 1.813 4 HB3 TRP 1 HB1 TRP 1 6.602 -3.229 0.695 5 HD1 TRP 1 HD1 TRP 1 10.439 -2.980 1.235 6 HE1 TRP 1 HE1 TRP 1 11.482 -5.226 0.532 7 HE3 TRP 1 HE3 TRP 1 6.228 -5.341 -0.448 8 HZ2 TRP 1 HZ2 TRP 1 10.633 -7.674 -0.587 9 HZ3 TRP 1 HZ3 TRP 1 6.430 -7.633 -1.319 10 HH2 TRP 1 HH2 TRP 1 8.588 -8.774 -1.387 11 HA B3L 2 HQ1 B3L 2 5.935 2.982 1.491 12 HAA B3L 2 HQ2 B3L 2 5.648 3.760 -0.053 13 HB B3L 2 HA B3L 2 5.308 1.762 -1.144 14 HN B3L 2 HN B3L 2 7.579 0.731 -0.054 15 HG B3L 2 HB1 B3L 2 3.941 2.423 0.734 16 HGA B3L 2 HB2 B3L 2 5.037 1.654 1.874 17 HD B3L 2 HG B3L 2 4.393 -0.511 1.080 18 H3E2 B3L 2 HD13 B3L 2 3.065 0.977 2.802 19 H2E2 B3L 2 HD11 B3L 2 2.488 -0.622 2.332 20 H1E2 B3L 2 HD12 B3L 2 1.792 0.821 1.593 21 H3E1 B3L 2 HD22 B3L 2 2.979 -0.938 -0.665 22 H2E1 B3L 2 HD23 B3L 2 3.717 0.555 -1.244 23 H1E1 B3L 2 HD21 B3L 2 2.125 0.594 -0.486 24 HG1 B3A 3 HB1 B3A 3 8.047 6.029 0.859 25 HG2 B3A 3 HB2 B3A 3 9.725 6.545 0.691 26 HG3 B3A 3 HB3 B3A 3 9.331 5.132 1.671 27 HB B3A 3 HA B3A 3 9.358 5.445 -1.313 28 H B3A 3 HN B3A 3 7.560 4.028 -1.513 29 HA1 B3A 3 HQ1 B3A 3 11.221 4.471 -1.136 30 HA2 B3A 3 HQ2 B3A 3 10.073 3.280 -1.700 31 HN UVR 4 HN UVR 4 9.440 1.672 -0.436 32 HA UVR 4 HA UVR 4 11.896 0.334 -0.389 33 HB1 UVR 4 HB1 UVR 4 12.269 0.509 1.874 34 HB2 UVR 4 HB2 UVR 4 11.198 -0.882 1.886 35 HG1 UVR 4 HG1 UVR 4 9.929 0.216 3.327 36 HG2 UVR 4 HG2 UVR 4 9.492 1.308 2.014 37 HD1 UVR 4 HD1 UVR 4 10.516 2.986 3.045 38 HD2 UVR 4 HD2 UVR 4 12.038 2.093 3.012 39 HE1 UVR 4 HE1 UVR 4 10.668 0.873 5.056 40 HE2 UVR 4 HE2 UVR 4 10.189 2.562 5.222 41 HF1 UVR 4 HF1 UVR 4 12.102 2.662 6.445 42 HF2 UVR 4 HF2 UVR 4 12.826 2.893 4.847 43 HY1 UVR 4 HY1 UVR 4 13.653 0.381 3.692 44 HY2 UVR 4 HY2 UVR 4 14.626 -0.348 4.982 45 HZ1 UVR 4 HZ1 UVR 4 15.344 2.224 5.404 46 HZ2 UVR 4 HZ2 UVR 4 14.985 2.370 3.706 47 HZ3 UVR 4 HZ3 UVR 4 16.166 1.359 4.490 Start of MODEL 24 1 H1 TRP 1 HN TRP 1 8.660 0.073 0.820 2 HA TRP 1 HA TRP 1 7.855 -1.976 -1.042 3 HB2 TRP 1 HB2 TRP 1 7.620 -2.259 1.949 4 HB3 TRP 1 HB1 TRP 1 6.786 -3.296 0.798 5 HD1 TRP 1 HD1 TRP 1 10.095 -2.840 2.530 6 HE1 TRP 1 HE1 TRP 1 11.707 -4.721 1.828 7 HE3 TRP 1 HE3 TRP 1 7.383 -4.840 -1.314 8 HZ2 TRP 1 HZ2 TRP 1 11.813 -6.779 -0.101 9 HZ3 TRP 1 HZ3 TRP 1 8.310 -6.762 -2.537 10 HH2 TRP 1 HH2 TRP 1 10.480 -7.711 -1.942 11 HA B3L 2 HQ1 B3L 2 5.823 2.999 1.365 12 HAA B3L 2 HQ2 B3L 2 5.649 3.757 -0.202 13 HB B3L 2 HA B3L 2 5.309 1.773 -1.268 14 HN B3L 2 HN B3L 2 7.568 0.720 -0.476 15 HG B3L 2 HB1 B3L 2 3.806 0.799 0.289 16 HGA B3L 2 HB2 B3L 2 4.085 2.422 0.880 17 HD B3L 2 HG B3L 2 5.972 0.551 2.032 18 H3E2 B3L 2 HD13 B3L 2 4.574 1.475 4.110 19 H2E2 B3L 2 HD11 B3L 2 4.101 2.670 2.901 20 H1E2 B3L 2 HD12 B3L 2 5.806 2.431 3.285 21 H3E1 B3L 2 HD22 B3L 2 3.664 -0.189 3.433 22 H2E1 B3L 2 HD23 B3L 2 4.685 -1.219 2.431 23 H1E1 B3L 2 HD21 B3L 2 3.279 -0.420 1.728 24 HG1 B3A 3 HB1 B3A 3 9.622 5.218 1.707 25 HG2 B3A 3 HB2 B3A 3 7.986 5.633 1.196 26 HG3 B3A 3 HB3 B3A 3 9.343 6.653 0.719 27 HB B3A 3 HA B3A 3 9.364 5.490 -1.188 28 H B3A 3 HN B3A 3 7.587 4.078 -1.508 29 HA1 B3A 3 HQ1 B3A 3 11.233 4.520 -0.994 30 HA2 B3A 3 HQ2 B3A 3 10.113 3.360 -1.665 31 HN UVR 4 HN UVR 4 9.476 1.645 -0.541 32 HA UVR 4 HA UVR 4 11.896 0.318 -0.561 33 HB1 UVR 4 HB1 UVR 4 11.094 -0.758 1.897 34 HB2 UVR 4 HB2 UVR 4 10.978 0.981 2.121 35 HG1 UVR 4 HG1 UVR 4 13.250 1.307 1.750 36 HG2 UVR 4 HG2 UVR 4 13.440 -0.255 0.951 37 HD1 UVR 4 HD1 UVR 4 14.222 -0.976 2.920 38 HD2 UVR 4 HD2 UVR 4 12.535 -0.972 3.437 39 HE1 UVR 4 HE1 UVR 4 14.154 1.532 3.640 40 HE2 UVR 4 HE2 UVR 4 14.335 0.268 4.860 41 HF1 UVR 4 HF1 UVR 4 12.103 0.458 5.554 42 HF2 UVR 4 HF2 UVR 4 11.632 1.330 4.088 43 HY1 UVR 4 HY1 UVR 4 12.012 4.434 6.087 44 HY2 UVR 4 HY2 UVR 4 10.828 3.137 6.319 45 HZ1 UVR 4 HZ1 UVR 4 11.706 3.968 3.511 46 HZ2 UVR 4 HZ2 UVR 4 10.294 4.653 4.265 47 HZ3 UVR 4 HZ3 UVR 4 10.583 3.005 3.783 Start of MODEL 25 1 H1 TRP 1 HN TRP 1 8.899 0.353 0.640 2 HA TRP 1 HA TRP 1 7.646 -1.602 -0.943 3 HB2 TRP 1 HB2 TRP 1 6.706 -2.488 1.459 4 HB3 TRP 1 HB1 TRP 1 7.835 -3.362 0.442 5 HD1 TRP 1 HD1 TRP 1 10.503 -3.112 1.128 6 HE1 TRP 1 HE1 TRP 1 11.574 -2.805 3.449 7 HE3 TRP 1 HE3 TRP 1 6.396 -1.496 3.714 8 HZ2 TRP 1 HZ2 TRP 1 10.783 -1.988 6.033 9 HZ3 TRP 1 HZ3 TRP 1 6.640 -0.973 6.105 10 HH2 TRP 1 HH2 TRP 1 8.788 -1.214 7.239 11 HA B3L 2 HQ1 B3L 2 5.559 2.771 1.323 12 HAA B3L 2 HQ2 B3L 2 5.447 3.730 -0.136 13 HB B3L 2 HA B3L 2 5.066 1.915 -1.442 14 HN B3L 2 HN B3L 2 6.786 0.317 -1.449 15 HG B3L 2 HB1 B3L 2 3.566 2.228 0.370 16 HGA B3L 2 HB2 B3L 2 4.637 1.414 1.502 17 HD B3L 2 HG B3L 2 4.193 -0.703 0.366 18 H3E2 B3L 2 HD13 B3L 2 1.811 -0.906 1.136 19 H2E2 B3L 2 HD11 B3L 2 1.845 0.829 1.451 20 H1E2 B3L 2 HD12 B3L 2 2.934 -0.247 2.326 21 H3E1 B3L 2 HD22 B3L 2 2.058 -0.660 -1.094 22 H2E1 B3L 2 HD23 B3L 2 3.599 -0.207 -1.822 23 H1E1 B3L 2 HD21 B3L 2 2.454 1.042 -1.329 24 HG1 B3A 3 HB1 B3A 3 9.511 6.285 1.035 25 HG2 B3A 3 HB2 B3A 3 9.339 4.746 1.879 26 HG3 B3A 3 HB3 B3A 3 7.916 5.554 1.220 27 HB B3A 3 HA B3A 3 9.282 5.366 -1.032 28 H B3A 3 HN B3A 3 7.589 3.852 -1.476 29 HA1 B3A 3 HQ1 B3A 3 11.131 4.415 -1.052 30 HA2 B3A 3 HQ2 B3A 3 10.015 3.204 -1.631 31 HN UVR 4 HN UVR 4 9.606 1.510 -0.596 32 HA UVR 4 HA UVR 4 11.973 0.210 -0.851 33 HB1 UVR 4 HB1 UVR 4 11.066 0.042 2.042 34 HB2 UVR 4 HB2 UVR 4 12.445 0.995 1.512 35 HG1 UVR 4 HG1 UVR 4 12.395 -1.870 0.762 36 HG2 UVR 4 HG2 UVR 4 12.701 -1.463 2.452 37 HD1 UVR 4 HD1 UVR 4 14.589 -0.119 1.859 38 HD2 UVR 4 HD2 UVR 4 14.218 -0.267 0.140 39 HE1 UVR 4 HE1 UVR 4 15.808 -1.879 0.264 40 HE2 UVR 4 HE2 UVR 4 14.421 -2.859 0.743 41 HF1 UVR 4 HF1 UVR 4 16.049 -1.400 2.796 42 HF2 UVR 4 HF2 UVR 4 16.562 -2.978 2.180 43 HY1 UVR 4 HY1 UVR 4 14.295 -4.544 1.872 44 HY2 UVR 4 HY2 UVR 4 13.143 -4.418 3.211 45 HZ1 UVR 4 HZ1 UVR 4 14.541 -6.420 3.650 46 HZ2 UVR 4 HZ2 UVR 4 15.221 -5.216 4.709 47 HZ3 UVR 4 HZ3 UVR 4 15.835 -5.808 3.190 Start of MODEL 26 1 H1 TRP 1 HN TRP 1 8.659 0.065 0.827 2 HA TRP 1 HA TRP 1 7.855 -1.971 -1.049 3 HB2 TRP 1 HB2 TRP 1 8.249 -2.420 1.817 4 HB3 TRP 1 HB1 TRP 1 6.648 -2.876 1.252 5 HD1 TRP 1 HD1 TRP 1 10.291 -3.512 0.033 6 HE1 TRP 1 HE1 TRP 1 10.452 -5.972 -0.705 7 HE3 TRP 1 HE3 TRP 1 5.461 -4.942 0.910 8 HZ2 TRP 1 HZ2 TRP 1 8.758 -8.221 -0.891 9 HZ3 TRP 1 HZ3 TRP 1 4.814 -7.265 0.425 10 HH2 TRP 1 HH2 TRP 1 6.428 -8.870 -0.456 11 HA B3L 2 HQ1 B3L 2 5.830 2.996 1.371 12 HAA B3L 2 HQ2 B3L 2 5.650 3.757 -0.195 13 HB B3L 2 HA B3L 2 5.307 1.774 -1.263 14 HN B3L 2 HN B3L 2 7.568 0.720 -0.481 15 HG B3L 2 HB1 B3L 2 3.806 0.803 0.294 16 HGA B3L 2 HB2 B3L 2 4.094 2.423 0.892 17 HD B3L 2 HG B3L 2 5.975 0.533 2.028 18 H3E2 B3L 2 HD13 B3L 2 4.602 1.457 4.117 19 H2E2 B3L 2 HD11 B3L 2 4.118 2.658 2.919 20 H1E2 B3L 2 HD12 B3L 2 5.826 2.416 3.285 21 H3E1 B3L 2 HD22 B3L 2 4.696 -1.114 2.851 22 H2E1 B3L 2 HD23 B3L 2 3.577 -0.684 1.559 23 H1E1 B3L 2 HD21 B3L 2 3.344 -0.029 3.180 24 HG1 B3A 3 HB1 B3A 3 7.999 5.959 0.983 25 HG2 B3A 3 HB2 B3A 3 9.672 6.504 0.865 26 HG3 B3A 3 HB3 B3A 3 9.283 5.043 1.773 27 HB B3A 3 HA B3A 3 9.364 5.492 -1.190 28 H B3A 3 HN B3A 3 7.584 4.082 -1.507 29 HA1 B3A 3 HQ1 B3A 3 11.230 4.517 -1.005 30 HA2 B3A 3 HQ2 B3A 3 10.105 3.355 -1.665 31 HN UVR 4 HN UVR 4 9.472 1.646 -0.533 32 HA UVR 4 HA UVR 4 11.895 0.319 -0.554 33 HB1 UVR 4 HB1 UVR 4 10.566 0.356 2.168 34 HB2 UVR 4 HB2 UVR 4 12.177 0.941 1.782 35 HG1 UVR 4 HG1 UVR 4 12.722 -1.440 1.099 36 HG2 UVR 4 HG2 UVR 4 11.204 -1.894 1.876 37 HD1 UVR 4 HD1 UVR 4 12.668 -0.192 3.639 38 HD2 UVR 4 HD2 UVR 4 13.733 -1.481 3.078 39 HE1 UVR 4 HE1 UVR 4 10.999 -1.883 4.290 40 HE2 UVR 4 HE2 UVR 4 12.532 -2.093 5.138 41 HF1 UVR 4 HF1 UVR 4 11.819 -3.619 2.641 42 HF2 UVR 4 HF2 UVR 4 11.471 -4.212 4.273 43 HY1 UVR 4 HY1 UVR 4 15.329 -4.660 2.775 44 HY2 UVR 4 HY2 UVR 4 14.734 -3.045 2.357 45 HZ1 UVR 4 HZ1 UVR 4 12.991 -5.404 1.605 46 HZ2 UVR 4 HZ2 UVR 4 14.329 -5.003 0.564 47 HZ3 UVR 4 HZ3 UVR 4 12.935 -4.042 0.974 Start of MODEL 27 1 H1 TRP 1 HN TRP 1 8.655 0.091 0.798 2 HA TRP 1 HA TRP 1 7.852 -1.968 -1.049 3 HB2 TRP 1 HB2 TRP 1 7.813 -2.273 1.938 4 HB3 TRP 1 HB1 TRP 1 6.719 -3.187 0.909 5 HD1 TRP 1 HD1 TRP 1 8.578 -4.165 -1.365 6 HE1 TRP 1 HE1 TRP 1 10.505 -5.808 -0.906 7 HE3 TRP 1 HE3 TRP 1 9.174 -3.336 3.644 8 HZ2 TRP 1 HZ2 TRP 1 12.070 -6.644 1.291 9 HZ3 TRP 1 HZ3 TRP 1 10.909 -4.598 4.850 10 HH2 TRP 1 HH2 TRP 1 12.325 -6.218 3.697 11 HA B3L 2 HQ1 B3L 2 5.822 2.997 1.371 12 HAA B3L 2 HQ2 B3L 2 5.646 3.758 -0.196 13 HB B3L 2 HA B3L 2 5.300 1.778 -1.264 14 HN B3L 2 HN B3L 2 7.560 0.722 -0.490 15 HG B3L 2 HB1 B3L 2 3.800 0.803 0.294 16 HGA B3L 2 HB2 B3L 2 4.085 2.423 0.891 17 HD B3L 2 HG B3L 2 5.967 0.535 2.027 18 H3E2 B3L 2 HD13 B3L 2 4.597 1.462 4.116 19 H2E2 B3L 2 HD11 B3L 2 4.109 2.660 2.917 20 H1E2 B3L 2 HD12 B3L 2 5.818 2.420 3.281 21 H3E1 B3L 2 HD22 B3L 2 3.570 -0.684 1.560 22 H2E1 B3L 2 HD23 B3L 2 3.334 -0.024 3.178 23 H1E1 B3L 2 HD21 B3L 2 4.687 -1.109 2.857 24 HG1 B3A 3 HB1 B3A 3 9.671 5.244 1.691 25 HG2 B3A 3 HB2 B3A 3 8.000 5.576 1.237 26 HG3 B3A 3 HB3 B3A 3 9.288 6.659 0.709 27 HB B3A 3 HA B3A 3 9.360 5.491 -1.186 28 H B3A 3 HN B3A 3 7.580 4.081 -1.505 29 HA1 B3A 3 HQ1 B3A 3 11.221 4.509 -1.023 30 HA2 B3A 3 HQ2 B3A 3 10.089 3.344 -1.666 31 HN UVR 4 HN UVR 4 9.472 1.639 -0.525 32 HA UVR 4 HA UVR 4 11.897 0.318 -0.564 33 HB1 UVR 4 HB1 UVR 4 12.320 0.824 1.719 34 HB2 UVR 4 HB2 UVR 4 11.732 -0.833 1.706 35 HG1 UVR 4 HG1 UVR 4 9.676 1.243 2.060 36 HG2 UVR 4 HG2 UVR 4 10.837 1.072 3.378 37 HD1 UVR 4 HD1 UVR 4 10.076 -1.537 2.611 38 HD2 UVR 4 HD2 UVR 4 8.596 -0.583 2.730 39 HE1 UVR 4 HE1 UVR 4 10.706 -0.666 4.878 40 HE2 UVR 4 HE2 UVR 4 9.291 -1.720 4.854 41 HF1 UVR 4 HF1 UVR 4 7.845 -0.020 5.363 42 HF2 UVR 4 HF2 UVR 4 8.851 1.211 4.586 43 HY1 UVR 4 HY1 UVR 4 9.494 -1.372 7.144 44 HY2 UVR 4 HY2 UVR 4 9.372 -0.227 8.491 45 HZ1 UVR 4 HZ1 UVR 4 11.687 -0.652 8.697 46 HZ2 UVR 4 HZ2 UVR 4 11.905 0.350 7.289 47 HZ3 UVR 4 HZ3 UVR 4 11.809 -1.387 7.391 Start of MODEL 28 1 H1 TRP 1 HN TRP 1 8.676 0.326 0.495 2 HA TRP 1 HA TRP 1 7.717 -1.916 -0.951 3 HB2 TRP 1 HB2 TRP 1 8.792 -2.546 1.499 4 HB3 TRP 1 HB1 TRP 1 7.098 -2.290 1.874 5 HD1 TRP 1 HD1 TRP 1 6.087 -3.538 -1.009 6 HE1 TRP 1 HE1 TRP 1 6.073 -6.100 -1.245 7 HE3 TRP 1 HE3 TRP 1 9.346 -4.716 2.749 8 HZ2 TRP 1 HZ2 TRP 1 7.282 -8.327 -0.001 9 HZ3 TRP 1 HZ3 TRP 1 9.864 -7.087 3.162 10 HH2 TRP 1 HH2 TRP 1 8.852 -8.853 1.814 11 HA B3L 2 HQ1 B3L 2 5.776 2.766 1.376 12 HAA B3L 2 HQ2 B3L 2 5.550 3.721 -0.075 13 HB B3L 2 HA B3L 2 5.292 1.868 -1.409 14 HN B3L 2 HN B3L 2 7.371 0.589 -0.964 15 HG B3L 2 HB1 B3L 2 3.951 2.427 0.615 16 HGA B3L 2 HB2 B3L 2 4.834 1.195 1.511 17 HD B3L 2 HG B3L 2 3.938 -0.241 -0.572 18 H3E2 B3L 2 HD13 B3L 2 3.658 -0.320 2.089 19 H2E2 B3L 2 HD11 B3L 2 2.777 -1.388 0.997 20 H1E2 B3L 2 HD12 B3L 2 1.998 0.060 1.632 21 H3E1 B3L 2 HD22 B3L 2 2.644 1.976 -1.152 22 H2E1 B3L 2 HD23 B3L 2 1.512 1.355 0.050 23 H1E1 B3L 2 HD21 B3L 2 1.896 0.395 -1.378 24 HG1 B3A 3 HB1 B3A 3 9.288 4.897 1.865 25 HG2 B3A 3 HB2 B3A 3 7.949 5.793 1.147 26 HG3 B3A 3 HB3 B3A 3 9.595 6.413 1.020 27 HB B3A 3 HA B3A 3 9.329 5.490 -1.064 28 H B3A 3 HN B3A 3 7.571 4.075 -1.470 29 HA1 B3A 3 HQ1 B3A 3 11.184 4.505 -0.976 30 HA2 B3A 3 HQ2 B3A 3 10.055 3.350 -1.640 31 HN UVR 4 HN UVR 4 9.518 1.584 -0.604 32 HA UVR 4 HA UVR 4 11.880 0.268 -0.791 33 HB1 UVR 4 HB1 UVR 4 11.602 -0.759 1.744 34 HB2 UVR 4 HB2 UVR 4 11.268 0.947 2.011 35 HG1 UVR 4 HG1 UVR 4 13.462 1.246 0.580 36 HG2 UVR 4 HG2 UVR 4 13.780 -0.388 1.165 37 HD1 UVR 4 HD1 UVR 4 13.173 2.018 2.882 38 HD2 UVR 4 HD2 UVR 4 14.761 1.284 2.650 39 HE1 UVR 4 HE1 UVR 4 14.234 0.177 4.543 40 HE2 UVR 4 HE2 UVR 4 13.353 -0.876 3.433 41 HF1 UVR 4 HF1 UVR 4 11.572 1.190 3.965 42 HF2 UVR 4 HF2 UVR 4 12.346 0.870 5.523 43 HY1 UVR 4 HY1 UVR 4 10.244 -0.012 6.399 44 HY2 UVR 4 HY2 UVR 4 10.920 -1.636 6.621 45 HZ1 UVR 4 HZ1 UVR 4 8.907 -1.665 4.482 46 HZ2 UVR 4 HZ2 UVR 4 8.201 -1.147 5.988 47 HZ3 UVR 4 HZ3 UVR 4 9.015 -2.642 5.619 Start of MODEL 29 1 H1 TRP 1 HN TRP 1 8.657 0.075 0.816 2 HA TRP 1 HA TRP 1 7.853 -1.968 -1.051 3 HB2 TRP 1 HB2 TRP 1 8.016 -2.326 1.900 4 HB3 TRP 1 HB1 TRP 1 6.656 -3.050 1.054 5 HD1 TRP 1 HD1 TRP 1 8.688 -3.703 -1.566 6 HE1 TRP 1 HE1 TRP 1 10.121 -5.832 -1.367 7 HE3 TRP 1 HE3 TRP 1 8.467 -4.362 3.500 8 HZ2 TRP 1 HZ2 TRP 1 11.036 -7.561 0.667 9 HZ3 TRP 1 HZ3 TRP 1 9.648 -6.279 4.492 10 HH2 TRP 1 HH2 TRP 1 10.906 -7.845 3.103 11 HA B3L 2 HQ1 B3L 2 5.828 2.998 1.371 12 HAA B3L 2 HQ2 B3L 2 5.649 3.758 -0.196 13 HB B3L 2 HA B3L 2 5.302 1.776 -1.262 14 HN B3L 2 HN B3L 2 7.564 0.722 -0.485 15 HG B3L 2 HB1 B3L 2 3.805 0.801 0.300 16 HGA B3L 2 HB2 B3L 2 4.091 2.422 0.895 17 HD B3L 2 HG B3L 2 5.977 0.535 2.029 18 H3E2 B3L 2 HD13 B3L 2 4.121 2.661 2.922 19 H2E2 B3L 2 HD11 B3L 2 5.829 2.419 3.285 20 H1E2 B3L 2 HD12 B3L 2 4.606 1.461 4.121 21 H3E1 B3L 2 HD22 B3L 2 4.699 -1.109 2.860 22 H2E1 B3L 2 HD23 B3L 2 3.580 -0.685 1.566 23 H1E1 B3L 2 HD21 B3L 2 3.346 -0.027 3.186 24 HG1 B3A 3 HB1 B3A 3 9.637 6.525 0.846 25 HG2 B3A 3 HB2 B3A 3 9.332 5.055 1.770 26 HG3 B3A 3 HB3 B3A 3 7.992 5.914 1.013 27 HB B3A 3 HA B3A 3 9.363 5.492 -1.188 28 H B3A 3 HN B3A 3 7.582 4.083 -1.505 29 HA1 B3A 3 HQ1 B3A 3 11.227 4.513 -1.013 30 HA2 B3A 3 HQ2 B3A 3 10.098 3.351 -1.666 31 HN UVR 4 HN UVR 4 9.472 1.644 -0.528 32 HA UVR 4 HA UVR 4 11.898 0.319 -0.553 33 HB1 UVR 4 HB1 UVR 4 10.563 0.302 2.167 34 HB2 UVR 4 HB2 UVR 4 12.144 0.976 1.796 35 HG1 UVR 4 HG1 UVR 4 13.142 -0.999 2.002 36 HG2 UVR 4 HG2 UVR 4 11.930 -1.805 1.004 37 HD1 UVR 4 HD1 UVR 4 11.811 -2.816 3.142 38 HD2 UVR 4 HD2 UVR 4 10.409 -1.753 3.016 39 HE1 UVR 4 HE1 UVR 4 11.872 0.002 4.179 40 HE2 UVR 4 HE2 UVR 4 12.932 -1.349 4.589 41 HF1 UVR 4 HF1 UVR 4 11.533 -1.181 6.449 42 HF2 UVR 4 HF2 UVR 4 10.784 -2.468 5.493 43 HY1 UVR 4 HY1 UVR 4 8.134 0.341 6.476 44 HY2 UVR 4 HY2 UVR 4 9.695 0.444 7.310 45 HZ1 UVR 4 HZ1 UVR 4 8.214 -1.221 8.490 46 HZ2 UVR 4 HZ2 UVR 4 9.446 -2.154 7.688 47 HZ3 UVR 4 HZ3 UVR 4 7.781 -1.927 7.234 Start of MODEL 30 1 H1 TRP 1 HN TRP 1 8.656 0.077 0.812 2 HA TRP 1 HA TRP 1 7.852 -1.966 -1.054 3 HB2 TRP 1 HB2 TRP 1 8.299 -2.440 1.788 4 HB3 TRP 1 HB1 TRP 1 6.663 -2.844 1.287 5 HD1 TRP 1 HD1 TRP 1 6.927 -4.302 -1.342 6 HE1 TRP 1 HE1 TRP 1 8.266 -6.485 -1.605 7 HE3 TRP 1 HE3 TRP 1 9.980 -3.880 2.737 8 HZ2 TRP 1 HZ2 TRP 1 10.340 -7.847 -0.261 9 HZ3 TRP 1 HZ3 TRP 1 11.613 -5.667 3.178 10 HH2 TRP 1 HH2 TRP 1 11.788 -7.609 1.710 11 HA B3L 2 HQ1 B3L 2 5.829 2.997 1.373 12 HAA B3L 2 HQ2 B3L 2 5.648 3.758 -0.193 13 HB B3L 2 HA B3L 2 5.302 1.776 -1.261 14 HN B3L 2 HN B3L 2 7.564 0.721 -0.489 15 HG B3L 2 HB1 B3L 2 3.805 0.800 0.299 16 HGA B3L 2 HB2 B3L 2 4.090 2.421 0.895 17 HD B3L 2 HG B3L 2 5.976 0.536 2.030 18 H3E2 B3L 2 HD13 B3L 2 4.120 2.661 2.920 19 H2E2 B3L 2 HD11 B3L 2 5.829 2.418 3.286 20 H1E2 B3L 2 HD12 B3L 2 4.603 1.462 4.119 21 H3E1 B3L 2 HD22 B3L 2 4.699 -1.110 2.860 22 H2E1 B3L 2 HD23 B3L 2 3.579 -0.685 1.567 23 H1E1 B3L 2 HD21 B3L 2 3.347 -0.028 3.186 24 HG1 B3A 3 HB1 B3A 3 8.037 5.478 1.306 25 HG2 B3A 3 HB2 B3A 3 9.161 6.681 0.674 26 HG3 B3A 3 HB3 B3A 3 9.762 5.337 1.644 27 HB B3A 3 HA B3A 3 9.362 5.491 -1.189 28 H B3A 3 HN B3A 3 7.581 4.082 -1.506 29 HA1 B3A 3 HQ1 B3A 3 11.226 4.513 -1.014 30 HA2 B3A 3 HQ2 B3A 3 10.098 3.350 -1.667 31 HN UVR 4 HN UVR 4 9.471 1.643 -0.529 32 HA UVR 4 HA UVR 4 11.898 0.319 -0.553 33 HB1 UVR 4 HB1 UVR 4 11.228 -0.813 1.856 34 HB2 UVR 4 HB2 UVR 4 10.861 0.882 2.148 35 HG1 UVR 4 HG1 UVR 4 13.020 0.995 2.735 36 HG2 UVR 4 HG2 UVR 4 13.295 1.093 0.994 37 HD1 UVR 4 HD1 UVR 4 14.772 -0.569 1.811 38 HD2 UVR 4 HD2 UVR 4 13.462 -1.424 0.995 39 HE1 UVR 4 HE1 UVR 4 13.936 -2.551 3.060 40 HE2 UVR 4 HE2 UVR 4 12.372 -1.748 3.207 41 HF1 UVR 4 HF1 UVR 4 13.350 0.044 4.483 42 HF2 UVR 4 HF2 UVR 4 14.976 -0.602 4.217 43 HY1 UVR 4 HY1 UVR 4 12.456 -2.835 6.831 44 HY2 UVR 4 HY2 UVR 4 12.301 -3.204 5.105 45 HZ1 UVR 4 HZ1 UVR 4 10.696 -1.328 6.603 46 HZ2 UVR 4 HZ2 UVR 4 10.677 -1.488 4.870 47 HZ3 UVR 4 HZ3 UVR 4 11.596 -0.386 5.855 Start of MODEL 31 1 H1 TRP 1 HN TRP 1 8.656 0.075 0.813 2 HA TRP 1 HA TRP 1 7.853 -1.966 -1.054 3 HB2 TRP 1 HB2 TRP 1 8.499 -2.586 1.635 4 HB3 TRP 1 HB1 TRP 1 6.750 -2.661 1.493 5 HD1 TRP 1 HD1 TRP 1 9.391 -4.980 1.476 6 HE1 TRP 1 HE1 TRP 1 8.961 -7.013 -0.042 7 HE3 TRP 1 HE3 TRP 1 5.590 -3.081 -1.366 8 HZ2 TRP 1 HZ2 TRP 1 7.238 -7.718 -2.164 9 HZ3 TRP 1 HZ3 TRP 1 4.606 -4.499 -3.119 10 HH2 TRP 1 HH2 TRP 1 5.415 -6.770 -3.509 11 HA B3L 2 HQ1 B3L 2 5.830 2.995 1.374 12 HAA B3L 2 HQ2 B3L 2 5.648 3.757 -0.190 13 HB B3L 2 HA B3L 2 5.303 1.777 -1.261 14 HN B3L 2 HN B3L 2 7.564 0.721 -0.487 15 HG B3L 2 HB1 B3L 2 3.804 0.803 0.299 16 HGA B3L 2 HB2 B3L 2 4.092 2.422 0.897 17 HD B3L 2 HG B3L 2 5.975 0.533 2.029 18 H3E2 B3L 2 HD13 B3L 2 4.120 2.658 2.923 19 H2E2 B3L 2 HD11 B3L 2 5.828 2.414 3.287 20 H1E2 B3L 2 HD12 B3L 2 4.604 1.457 4.120 21 H3E1 B3L 2 HD22 B3L 2 3.579 -0.686 1.563 22 H2E1 B3L 2 HD23 B3L 2 3.343 -0.029 3.183 23 H1E1 B3L 2 HD21 B3L 2 4.697 -1.113 2.859 24 HG1 B3A 3 HB1 B3A 3 9.574 6.562 0.810 25 HG2 B3A 3 HB2 B3A 3 9.408 5.085 1.758 26 HG3 B3A 3 HB3 B3A 3 7.981 5.846 1.056 27 HB B3A 3 HA B3A 3 9.361 5.492 -1.191 28 H B3A 3 HN B3A 3 7.580 4.083 -1.505 29 HA1 B3A 3 HQ1 B3A 3 11.223 4.511 -1.023 30 HA2 B3A 3 HQ2 B3A 3 10.092 3.347 -1.668 31 HN UVR 4 HN UVR 4 9.470 1.643 -0.522 32 HA UVR 4 HA UVR 4 11.897 0.320 -0.552 33 HB1 UVR 4 HB1 UVR 4 10.550 0.060 2.145 34 HB2 UVR 4 HB2 UVR 4 11.945 1.094 1.869 35 HG1 UVR 4 HG1 UVR 4 13.153 -0.968 1.050 36 HG2 UVR 4 HG2 UVR 4 11.796 -1.900 1.687 37 HD1 UVR 4 HD1 UVR 4 12.247 -1.274 3.895 38 HD2 UVR 4 HD2 UVR 4 13.261 0.081 3.396 39 HE1 UVR 4 HE1 UVR 4 13.936 -2.833 3.005 40 HE2 UVR 4 HE2 UVR 4 14.579 -1.801 4.284 41 HF1 UVR 4 HF1 UVR 4 16.265 -1.434 2.836 42 HF2 UVR 4 HF2 UVR 4 15.131 -0.313 2.071 43 HY1 UVR 4 HY1 UVR 4 15.657 -3.999 2.178 44 HY2 UVR 4 HY2 UVR 4 16.780 -3.736 0.832 45 HZ1 UVR 4 HZ1 UVR 4 14.075 -5.020 0.766 46 HZ2 UVR 4 HZ2 UVR 4 15.355 -5.173 -0.406 47 HZ3 UVR 4 HZ3 UVR 4 14.120 -3.950 -0.290 Start of MODEL 32 1 H1 TRP 1 HN TRP 1 8.655 0.077 0.812 2 HA TRP 1 HA TRP 1 7.854 -1.965 -1.055 3 HB2 TRP 1 HB2 TRP 1 8.417 -2.518 1.708 4 HB3 TRP 1 HB1 TRP 1 6.701 -2.742 1.400 5 HD1 TRP 1 HD1 TRP 1 6.070 -4.580 -0.560 6 HE1 TRP 1 HE1 TRP 1 7.301 -6.736 -1.241 7 HE3 TRP 1 HE3 TRP 1 10.639 -3.595 1.513 8 HZ2 TRP 1 HZ2 TRP 1 9.868 -7.869 -0.939 9 HZ3 TRP 1 HZ3 TRP 1 12.427 -5.268 1.272 10 HH2 TRP 1 HH2 TRP 1 12.049 -7.360 0.071 11 HA B3L 2 HQ1 B3L 2 5.828 2.998 1.373 12 HAA B3L 2 HQ2 B3L 2 5.648 3.757 -0.193 13 HB B3L 2 HA B3L 2 5.302 1.775 -1.260 14 HN B3L 2 HN B3L 2 7.564 0.722 -0.486 15 HG B3L 2 HB1 B3L 2 3.808 0.796 0.304 16 HGA B3L 2 HB2 B3L 2 4.089 2.418 0.896 17 HD B3L 2 HG B3L 2 5.984 0.549 2.035 18 H3E2 B3L 2 HD13 B3L 2 4.110 2.659 2.919 19 H2E2 B3L 2 HD11 B3L 2 5.818 2.427 3.292 20 H1E2 B3L 2 HD12 B3L 2 4.596 1.464 4.121 21 H3E1 B3L 2 HD22 B3L 2 3.673 -0.193 3.438 22 H2E1 B3L 2 HD23 B3L 2 4.708 -1.223 2.450 23 H1E1 B3L 2 HD21 B3L 2 3.302 -0.437 1.733 24 HG1 B3A 3 HB1 B3A 3 8.011 5.986 0.966 25 HG2 B3A 3 HB2 B3A 3 9.701 6.481 0.881 26 HG3 B3A 3 HB3 B3A 3 9.251 5.029 1.774 27 HB B3A 3 HA B3A 3 9.362 5.490 -1.191 28 H B3A 3 HN B3A 3 7.581 4.082 -1.506 29 HA1 B3A 3 HQ1 B3A 3 11.226 4.511 -1.019 30 HA2 B3A 3 HQ2 B3A 3 10.095 3.347 -1.667 31 HN UVR 4 HN UVR 4 9.471 1.642 -0.525 32 HA UVR 4 HA UVR 4 11.898 0.319 -0.551 33 HB1 UVR 4 HB1 UVR 4 10.553 0.243 2.164 34 HB2 UVR 4 HB2 UVR 4 12.096 1.011 1.817 35 HG1 UVR 4 HG1 UVR 4 11.995 -1.786 1.004 36 HG2 UVR 4 HG2 UVR 4 11.745 -1.544 2.733 37 HD1 UVR 4 HD1 UVR 4 14.057 -0.471 1.120 38 HD2 UVR 4 HD2 UVR 4 14.115 -1.859 2.208 39 HE1 UVR 4 HE1 UVR 4 13.057 0.094 3.811 40 HE2 UVR 4 HE2 UVR 4 14.189 1.003 2.808 41 HF1 UVR 4 HF1 UVR 4 14.891 -1.497 4.347 42 HF2 UVR 4 HF2 UVR 4 15.214 0.152 4.900 43 HY1 UVR 4 HY1 UVR 4 17.609 1.252 3.418 44 HY2 UVR 4 HY2 UVR 4 16.102 1.534 2.531 45 HZ1 UVR 4 HZ1 UVR 4 18.679 0.934 1.375 46 HZ2 UVR 4 HZ2 UVR 4 17.178 0.965 0.492 47 HZ3 UVR 4 HZ3 UVR 4 17.990 -0.394 1.219 Start of MODEL 33 1 H1 TRP 1 HN TRP 1 8.655 0.075 0.814 2 HA TRP 1 HA TRP 1 7.854 -1.965 -1.056 3 HB2 TRP 1 HB2 TRP 1 8.220 -2.406 1.823 4 HB3 TRP 1 HB1 TRP 1 6.651 -2.906 1.212 5 HD1 TRP 1 HD1 TRP 1 6.665 -4.851 -0.715 6 HE1 TRP 1 HE1 TRP 1 8.348 -6.751 -1.142 7 HE3 TRP 1 HE3 TRP 1 10.631 -3.041 1.957 8 HZ2 TRP 1 HZ2 TRP 1 11.004 -7.398 -0.438 9 HZ3 TRP 1 HZ3 TRP 1 12.706 -4.361 2.030 10 HH2 TRP 1 HH2 TRP 1 12.887 -6.495 0.857 11 HA B3L 2 HQ1 B3L 2 5.828 3.000 1.373 12 HAA B3L 2 HQ2 B3L 2 5.648 3.757 -0.193 13 HB B3L 2 HA B3L 2 5.300 1.775 -1.258 14 HN B3L 2 HN B3L 2 7.564 0.723 -0.485 15 HG B3L 2 HB1 B3L 2 3.809 0.794 0.308 16 HGA B3L 2 HB2 B3L 2 4.089 2.417 0.899 17 HD B3L 2 HG B3L 2 5.988 0.551 2.036 18 H3E2 B3L 2 HD13 B3L 2 5.824 2.431 3.291 19 H2E2 B3L 2 HD11 B3L 2 4.604 1.467 4.125 20 H1E2 B3L 2 HD12 B3L 2 4.114 2.660 2.923 21 H3E1 B3L 2 HD22 B3L 2 3.300 -0.432 1.746 22 H2E1 B3L 2 HD23 B3L 2 3.688 -0.196 3.450 23 H1E1 B3L 2 HD21 B3L 2 4.712 -1.223 2.446 24 HG1 B3A 3 HB1 B3A 3 9.255 5.030 1.773 25 HG2 B3A 3 HB2 B3A 3 8.009 5.983 0.969 26 HG3 B3A 3 HB3 B3A 3 9.698 6.484 0.879 27 HB B3A 3 HA B3A 3 9.362 5.491 -1.191 28 H B3A 3 HN B3A 3 7.581 4.082 -1.505 29 HA1 B3A 3 HQ1 B3A 3 11.224 4.511 -1.021 30 HA2 B3A 3 HQ2 B3A 3 10.093 3.347 -1.667 31 HN UVR 4 HN UVR 4 9.470 1.643 -0.523 32 HA UVR 4 HA UVR 4 11.898 0.319 -0.549 33 HB1 UVR 4 HB1 UVR 4 10.544 0.077 2.147 34 HB2 UVR 4 HB2 UVR 4 11.955 1.088 1.867 35 HG1 UVR 4 HG1 UVR 4 12.212 -1.707 0.990 36 HG2 UVR 4 HG2 UVR 4 12.063 -1.460 2.731 37 HD1 UVR 4 HD1 UVR 4 13.862 0.490 1.943 38 HD2 UVR 4 HD2 UVR 4 14.300 -0.909 0.960 39 HE1 UVR 4 HE1 UVR 4 13.989 -0.914 3.961 40 HE2 UVR 4 HE2 UVR 4 15.524 -0.855 3.092 41 HF1 UVR 4 HF1 UVR 4 14.623 -3.023 1.938 42 HF2 UVR 4 HF2 UVR 4 13.586 -3.113 3.370 43 HY1 UVR 4 HY1 UVR 4 16.087 -4.296 5.592 44 HY2 UVR 4 HY2 UVR 4 14.522 -3.467 5.551 45 HZ1 UVR 4 HZ1 UVR 4 17.266 -2.225 6.024 46 HZ2 UVR 4 HZ2 UVR 4 15.792 -1.905 6.895 47 HZ3 UVR 4 HZ3 UVR 4 16.284 -1.322 5.329 Start of MODEL 34 1 H1 TRP 1 HN TRP 1 8.652 0.099 0.788 2 HA TRP 1 HA TRP 1 7.851 -1.973 -1.044 3 HB2 TRP 1 HB2 TRP 1 8.654 -3.151 1.021 4 HB3 TRP 1 HB1 TRP 1 7.436 -2.262 1.926 5 HD1 TRP 1 HD1 TRP 1 5.268 -3.559 2.298 6 HE1 TRP 1 HE1 TRP 1 4.053 -5.506 1.134 7 HE3 TRP 1 HE3 TRP 1 8.434 -4.243 -1.658 8 HZ2 TRP 1 HZ2 TRP 1 4.391 -7.117 -1.158 9 HZ3 TRP 1 HZ3 TRP 1 7.916 -6.010 -3.291 10 HH2 TRP 1 HH2 TRP 1 5.936 -7.417 -3.045 11 HA B3L 2 HQ1 B3L 2 5.821 2.996 1.369 12 HAA B3L 2 HQ2 B3L 2 5.644 3.758 -0.196 13 HB B3L 2 HA B3L 2 5.304 1.776 -1.267 14 HN B3L 2 HN B3L 2 7.562 0.723 -0.484 15 HG B3L 2 HB1 B3L 2 3.800 0.803 0.287 16 HGA B3L 2 HB2 B3L 2 4.085 2.422 0.886 17 HD B3L 2 HG B3L 2 5.963 0.531 2.025 18 H3E2 B3L 2 HD13 B3L 2 4.588 1.459 4.111 19 H2E2 B3L 2 HD11 B3L 2 4.111 2.661 2.912 20 H1E2 B3L 2 HD12 B3L 2 5.817 2.413 3.281 21 H3E1 B3L 2 HD22 B3L 2 3.570 -0.687 1.551 22 H2E1 B3L 2 HD23 B3L 2 3.321 -0.021 3.165 23 H1E1 B3L 2 HD21 B3L 2 4.676 -1.108 2.858 24 HG1 B3A 3 HB1 B3A 3 7.984 5.649 1.188 25 HG2 B3A 3 HB2 B3A 3 9.372 6.638 0.738 26 HG3 B3A 3 HB3 B3A 3 9.602 5.190 1.717 27 HB B3A 3 HA B3A 3 9.361 5.492 -1.184 28 H B3A 3 HN B3A 3 7.583 4.080 -1.506 29 HA1 B3A 3 HQ1 B3A 3 11.225 4.512 -1.014 30 HA2 B3A 3 HQ2 B3A 3 10.095 3.350 -1.666 31 HN UVR 4 HN UVR 4 9.474 1.638 -0.532 32 HA UVR 4 HA UVR 4 11.896 0.318 -0.569 33 HB1 UVR 4 HB1 UVR 4 12.396 0.736 1.679 34 HB2 UVR 4 HB2 UVR 4 11.633 -0.846 1.734 35 HG1 UVR 4 HG1 UVR 4 9.678 1.259 2.015 36 HG2 UVR 4 HG2 UVR 4 10.955 1.400 3.222 37 HD1 UVR 4 HD1 UVR 4 10.427 -1.289 3.236 38 HD2 UVR 4 HD2 UVR 4 8.831 -0.591 2.960 39 HE1 UVR 4 HE1 UVR 4 10.116 0.945 4.975 40 HE2 UVR 4 HE2 UVR 4 10.302 -0.760 5.391 41 HF1 UVR 4 HF1 UVR 4 8.259 -0.448 6.327 42 HF2 UVR 4 HF2 UVR 4 7.710 -0.756 4.673 43 HY1 UVR 4 HY1 UVR 4 5.694 1.170 6.016 44 HY2 UVR 4 HY2 UVR 4 6.453 2.761 6.199 45 HZ1 UVR 4 HZ1 UVR 4 6.705 0.355 8.001 46 HZ2 UVR 4 HZ2 UVR 4 6.856 2.036 8.433 47 HZ3 UVR 4 HZ3 UVR 4 8.054 0.971 7.753 Start of MODEL 35 1 H1 TRP 1 HN TRP 1 8.630 -0.109 0.955 2 HA TRP 1 HA TRP 1 7.959 -1.919 -1.185 3 HB2 TRP 1 HB2 TRP 1 8.435 -2.862 1.392 4 HB3 TRP 1 HB1 TRP 1 6.680 -2.741 1.297 5 HD1 TRP 1 HD1 TRP 1 8.474 -5.503 1.371 6 HE1 TRP 1 HE1 TRP 1 8.030 -7.248 -0.470 7 HE3 TRP 1 HE3 TRP 1 6.243 -2.478 -2.094 8 HZ2 TRP 1 HZ2 TRP 1 6.885 -7.329 -3.049 9 HZ3 TRP 1 HZ3 TRP 1 5.503 -3.468 -4.222 10 HH2 TRP 1 HH2 TRP 1 5.818 -5.843 -4.688 11 HA B3L 2 HQ1 B3L 2 5.959 2.969 1.527 12 HAA B3L 2 HQ2 B3L 2 5.646 3.759 -0.006 13 HB B3L 2 HA B3L 2 5.289 1.770 -1.106 14 HN B3L 2 HN B3L 2 7.578 0.733 -0.053 15 HG B3L 2 HB1 B3L 2 3.953 2.414 0.801 16 HGA B3L 2 HB2 B3L 2 5.070 1.635 1.916 17 HD B3L 2 HG B3L 2 4.413 -0.522 1.112 18 H3E2 B3L 2 HD13 B3L 2 3.125 -0.145 2.923 19 H2E2 B3L 2 HD11 B3L 2 1.828 -0.138 1.727 20 H1E2 B3L 2 HD12 B3L 2 2.511 1.386 2.297 21 H3E1 B3L 2 HD22 B3L 2 2.616 -0.850 -0.448 22 H2E1 B3L 2 HD23 B3L 2 3.827 0.187 -1.201 23 H1E1 B3L 2 HD21 B3L 2 2.342 0.889 -0.558 24 HG1 B3A 3 HB1 B3A 3 9.304 6.696 0.515 25 HG2 B3A 3 HB2 B3A 3 9.792 5.341 1.532 26 HG3 B3A 3 HB3 B3A 3 8.086 5.601 1.168 27 HB B3A 3 HA B3A 3 9.343 5.446 -1.324 28 H B3A 3 HN B3A 3 7.536 4.030 -1.501 29 HA1 B3A 3 HQ1 B3A 3 11.160 4.418 -1.278 30 HA2 B3A 3 HQ2 B3A 3 9.969 3.213 -1.707 31 HN UVR 4 HN UVR 4 9.411 1.674 -0.320 32 HA UVR 4 HA UVR 4 11.905 0.338 -0.316 33 HB1 UVR 4 HB1 UVR 4 11.499 -0.882 1.861 34 HB2 UVR 4 HB2 UVR 4 10.266 0.312 2.235 35 HG1 UVR 4 HG1 UVR 4 12.447 0.712 3.344 36 HG2 UVR 4 HG2 UVR 4 11.883 2.059 2.357 37 HD1 UVR 4 HD1 UVR 4 13.356 1.283 0.524 38 HD2 UVR 4 HD2 UVR 4 13.964 0.013 1.587 39 HE1 UVR 4 HE1 UVR 4 14.541 1.929 3.203 40 HE2 UVR 4 HE2 UVR 4 14.331 2.982 1.802 41 HF1 UVR 4 HF1 UVR 4 15.937 1.120 0.721 42 HF2 UVR 4 HF2 UVR 4 16.467 1.026 2.406 43 HY1 UVR 4 HY1 UVR 4 16.309 3.081 -0.599 44 HY2 UVR 4 HY2 UVR 4 17.559 4.204 -0.038 45 HZ1 UVR 4 HZ1 UVR 4 15.360 5.068 1.429 46 HZ2 UVR 4 HZ2 UVR 4 14.616 4.654 -0.090 47 HZ3 UVR 4 HZ3 UVR 4 15.882 5.808 0.228 Start of MODEL 36 1 H1 TRP 1 HN TRP 1 8.691 0.005 0.929 2 HA TRP 1 HA TRP 1 7.882 -2.036 -0.962 3 HB2 TRP 1 HB2 TRP 1 6.668 -2.493 1.601 4 HB3 TRP 1 HB1 TRP 1 7.524 -3.638 0.582 5 HD1 TRP 1 HD1 TRP 1 8.355 -0.896 3.199 6 HE1 TRP 1 HE1 TRP 1 10.442 -1.645 4.505 7 HE3 TRP 1 HE3 TRP 1 9.391 -5.220 0.669 8 HZ2 TRP 1 HZ2 TRP 1 12.282 -3.786 4.471 9 HZ3 TRP 1 HZ3 TRP 1 11.333 -6.560 1.372 10 HH2 TRP 1 HH2 TRP 1 12.747 -5.856 3.233 11 HA B3L 2 HQ1 B3L 2 5.807 2.977 1.339 12 HAA B3L 2 HQ2 B3L 2 5.649 3.746 -0.226 13 HB B3L 2 HA B3L 2 5.379 1.753 -1.324 14 HN B3L 2 HN B3L 2 7.602 0.702 -0.361 15 HG B3L 2 HB1 B3L 2 3.800 0.825 0.168 16 HGA B3L 2 HB2 B3L 2 4.090 2.435 0.791 17 HD B3L 2 HG B3L 2 5.908 0.538 1.991 18 H3E2 B3L 2 HD13 B3L 2 5.648 2.420 3.246 19 H2E2 B3L 2 HD11 B3L 2 4.449 1.394 4.033 20 H1E2 B3L 2 HD12 B3L 2 3.941 2.591 2.840 21 H3E1 B3L 2 HD22 B3L 2 3.562 -0.711 1.375 22 H2E1 B3L 2 HD23 B3L 2 3.232 -0.093 2.992 23 H1E1 B3L 2 HD21 B3L 2 4.620 -1.144 2.718 24 HG1 B3A 3 HB1 B3A 3 9.221 6.681 0.714 25 HG2 B3A 3 HB2 B3A 3 9.702 5.298 1.695 26 HG3 B3A 3 HB3 B3A 3 8.005 5.534 1.279 27 HB B3A 3 HA B3A 3 9.370 5.502 -1.167 28 H B3A 3 HN B3A 3 7.625 4.056 -1.511 29 HA1 B3A 3 HQ1 B3A 3 11.259 4.556 -0.926 30 HA2 B3A 3 HQ2 B3A 3 10.163 3.409 -1.657 31 HN UVR 4 HN UVR 4 9.480 1.675 -0.571 32 HA UVR 4 HA UVR 4 11.865 0.317 -0.611 33 HB1 UVR 4 HB1 UVR 4 10.761 -0.495 1.980 34 HB2 UVR 4 HB2 UVR 4 11.410 1.138 1.993 35 HG1 UVR 4 HG1 UVR 4 12.862 -1.393 1.257 36 HG2 UVR 4 HG2 UVR 4 13.126 -0.378 2.677 37 HD1 UVR 4 HD1 UVR 4 14.644 0.773 1.535 38 HD2 UVR 4 HD2 UVR 4 13.372 1.309 0.436 39 HE1 UVR 4 HE1 UVR 4 13.923 -1.254 -0.431 40 HE2 UVR 4 HE2 UVR 4 15.510 -0.623 0.014 41 HF1 UVR 4 HF1 UVR 4 15.434 1.062 -1.568 42 HF2 UVR 4 HF2 UVR 4 13.665 1.054 -1.638 43 HY1 UVR 4 HY1 UVR 4 15.957 -2.159 -2.661 44 HY2 UVR 4 HY2 UVR 4 16.743 -0.574 -2.760 45 HZ1 UVR 4 HZ1 UVR 4 16.911 -1.802 -4.977 46 HZ2 UVR 4 HZ2 UVR 4 15.841 -0.449 -5.212 47 HZ3 UVR 4 HZ3 UVR 4 15.447 -2.138 -5.041 Start of MODEL 37 1 H1 TRP 1 HN TRP 1 9.088 -0.643 -1.397 2 HA TRP 1 HA TRP 1 7.397 -2.229 -1.075 3 HB2 TRP 1 HB2 TRP 1 8.948 -3.018 0.885 4 HB3 TRP 1 HB1 TRP 1 7.803 -2.125 1.873 5 HD1 TRP 1 HD1 TRP 1 6.328 -3.896 3.007 6 HE1 TRP 1 HE1 TRP 1 4.982 -5.944 2.220 7 HE3 TRP 1 HE3 TRP 1 7.793 -3.998 -1.891 8 HZ2 TRP 1 HZ2 TRP 1 4.593 -7.409 -0.161 9 HZ3 TRP 1 HZ3 TRP 1 6.888 -5.755 -3.355 10 HH2 TRP 1 HH2 TRP 1 5.321 -7.425 -2.507 11 HA B3L 2 HQ1 B3L 2 6.191 2.568 1.647 12 HAA B3L 2 HQ2 B3L 2 5.693 3.650 0.362 13 HB B3L 2 HA B3L 2 5.318 1.906 -1.135 14 HN B3L 2 HN B3L 2 7.381 0.525 -1.041 15 HG B3L 2 HB1 B3L 2 4.259 2.389 1.074 16 HGA B3L 2 HB2 B3L 2 5.168 1.047 1.761 17 HD B3L 2 HG B3L 2 3.976 -0.178 -0.302 18 H3E2 B3L 2 HD13 B3L 2 3.950 -0.418 2.374 19 H2E2 B3L 2 HD11 B3L 2 2.937 -1.384 1.301 20 H1E2 B3L 2 HD12 B3L 2 2.272 0.046 2.092 21 H3E1 B3L 2 HD22 B3L 2 2.746 2.193 -0.490 22 H2E1 B3L 2 HD23 B3L 2 1.668 1.392 0.653 23 H1E1 B3L 2 HD21 B3L 2 1.974 0.668 -0.927 24 HG1 B3A 3 HB1 B3A 3 9.002 6.693 0.702 25 HG2 B3A 3 HB2 B3A 3 10.044 5.529 1.520 26 HG3 B3A 3 HB3 B3A 3 8.295 5.304 1.527 27 HB B3A 3 HA B3A 3 9.326 5.535 -1.173 28 H B3A 3 HN B3A 3 7.497 4.159 -1.356 29 HA1 B3A 3 HQ1 B3A 3 11.210 4.578 -1.115 30 HA2 B3A 3 HQ2 B3A 3 10.048 3.427 -1.733 31 HN UVR 4 HN UVR 4 9.400 1.776 -0.501 32 HA UVR 4 HA UVR 4 11.163 0.040 -1.025 33 HB1 UVR 4 HB1 UVR 4 12.776 1.097 0.601 34 HB2 UVR 4 HB2 UVR 4 12.552 -0.632 0.725 35 HG1 UVR 4 HG1 UVR 4 12.710 0.685 2.890 36 HG2 UVR 4 HG2 UVR 4 11.403 -0.485 2.734 37 HD1 UVR 4 HD1 UVR 4 9.922 1.425 2.026 38 HD2 UVR 4 HD2 UVR 4 11.229 2.509 2.500 39 HE1 UVR 4 HE1 UVR 4 10.253 0.452 4.429 40 HE2 UVR 4 HE2 UVR 4 9.324 1.934 4.190 41 HF1 UVR 4 HF1 UVR 4 12.254 2.180 4.646 42 HF2 UVR 4 HF2 UVR 4 11.222 1.778 6.027 43 HY1 UVR 4 HY1 UVR 4 11.986 5.240 6.036 44 HY2 UVR 4 HY2 UVR 4 11.664 3.860 7.101 45 HZ1 UVR 4 HZ1 UVR 4 9.692 4.877 7.856 46 HZ2 UVR 4 HZ2 UVR 4 9.197 5.366 6.259 47 HZ3 UVR 4 HZ3 UVR 4 10.256 6.185 7.374 Start of MODEL 38 1 H1 TRP 1 HN TRP 1 8.656 0.068 0.822 2 HA TRP 1 HA TRP 1 7.860 -1.973 -1.048 3 HB2 TRP 1 HB2 TRP 1 8.664 -3.120 1.059 4 HB3 TRP 1 HB1 TRP 1 7.365 -2.289 1.902 5 HD1 TRP 1 HD1 TRP 1 6.888 -5.088 2.369 6 HE1 TRP 1 HE1 TRP 1 5.198 -6.572 1.125 7 HE3 TRP 1 HE3 TRP 1 6.319 -2.311 -1.910 8 HZ2 TRP 1 HZ2 TRP 1 3.812 -6.576 -1.323 9 HZ3 TRP 1 HZ3 TRP 1 4.792 -3.136 -3.643 10 HH2 TRP 1 HH2 TRP 1 3.565 -5.225 -3.358 11 HA B3L 2 HQ1 B3L 2 5.830 2.995 1.373 12 HAA B3L 2 HQ2 B3L 2 5.649 3.756 -0.193 13 HB B3L 2 HA B3L 2 5.308 1.774 -1.262 14 HN B3L 2 HN B3L 2 7.571 0.721 -0.471 15 HG B3L 2 HB1 B3L 2 3.809 0.800 0.297 16 HGA B3L 2 HB2 B3L 2 4.093 2.420 0.892 17 HD B3L 2 HG B3L 2 5.982 0.547 2.032 18 H3E2 B3L 2 HD13 B3L 2 4.105 2.655 2.916 19 H2E2 B3L 2 HD11 B3L 2 5.811 2.421 3.295 20 H1E2 B3L 2 HD12 B3L 2 4.586 1.456 4.117 21 H3E1 B3L 2 HD22 B3L 2 3.295 -0.434 1.726 22 H2E1 B3L 2 HD23 B3L 2 3.677 -0.206 3.432 23 H1E1 B3L 2 HD21 B3L 2 4.704 -1.228 2.428 24 HG1 B3A 3 HB1 B3A 3 9.289 5.043 1.771 25 HG2 B3A 3 HB2 B3A 3 8.001 5.955 0.986 26 HG3 B3A 3 HB3 B3A 3 9.672 6.505 0.861 27 HB B3A 3 HA B3A 3 9.362 5.492 -1.191 28 H B3A 3 HN B3A 3 7.584 4.080 -1.507 29 HA1 B3A 3 HQ1 B3A 3 11.228 4.515 -1.011 30 HA2 B3A 3 HQ2 B3A 3 10.101 3.353 -1.667 31 HN UVR 4 HN UVR 4 9.470 1.646 -0.529 32 HA UVR 4 HA UVR 4 11.895 0.320 -0.552 33 HB1 UVR 4 HB1 UVR 4 10.550 0.253 2.163 34 HB2 UVR 4 HB2 UVR 4 12.101 1.002 1.813 35 HG1 UVR 4 HG1 UVR 4 13.203 -0.963 1.791 36 HG2 UVR 4 HG2 UVR 4 11.846 -1.842 1.085 37 HD1 UVR 4 HD1 UVR 4 12.017 -0.916 3.951 38 HD2 UVR 4 HD2 UVR 4 12.332 -2.559 3.393 39 HE1 UVR 4 HE1 UVR 4 10.167 -2.995 3.651 40 HE2 UVR 4 HE2 UVR 4 9.837 -1.878 2.325 41 HF1 UVR 4 HF1 UVR 4 9.474 -0.070 3.813 42 HF2 UVR 4 HF2 UVR 4 10.145 -0.970 5.180 43 HY1 UVR 4 HY1 UVR 4 8.999 -3.456 5.205 44 HY2 UVR 4 HY2 UVR 4 7.330 -3.533 4.617 45 HZ1 UVR 4 HZ1 UVR 4 6.637 -2.257 6.743 46 HZ2 UVR 4 HZ2 UVR 4 8.247 -2.503 7.362 47 HZ3 UVR 4 HZ3 UVR 4 7.021 -3.687 7.005 Start of MODEL 39 1 H1 TRP 1 HN TRP 1 8.656 0.078 0.811 2 HA TRP 1 HA TRP 1 7.853 -1.967 -1.052 3 HB2 TRP 1 HB2 TRP 1 8.421 -2.518 1.708 4 HB3 TRP 1 HB1 TRP 1 6.702 -2.734 1.410 5 HD1 TRP 1 HD1 TRP 1 6.669 -4.078 -1.386 6 HE1 TRP 1 HE1 TRP 1 7.643 -6.434 -1.741 7 HE3 TRP 1 HE3 TRP 1 9.776 -4.295 2.670 8 HZ2 TRP 1 HZ2 TRP 1 9.483 -8.156 -0.471 9 HZ3 TRP 1 HZ3 TRP 1 11.108 -6.332 3.027 10 HH2 TRP 1 HH2 TRP 1 10.964 -8.222 1.488 11 HA B3L 2 HQ1 B3L 2 5.827 2.998 1.371 12 HAA B3L 2 HQ2 B3L 2 5.648 3.758 -0.196 13 HB B3L 2 HA B3L 2 5.302 1.776 -1.262 14 HN B3L 2 HN B3L 2 7.564 0.721 -0.487 15 HG B3L 2 HB1 B3L 2 3.807 0.798 0.300 16 HGA B3L 2 HB2 B3L 2 4.089 2.420 0.893 17 HD B3L 2 HG B3L 2 5.980 0.544 2.031 18 H3E2 B3L 2 HD13 B3L 2 5.833 2.412 3.299 19 H2E2 B3L 2 HD11 B3L 2 4.581 1.475 4.115 20 H1E2 B3L 2 HD12 B3L 2 4.134 2.678 2.906 21 H3E1 B3L 2 HD22 B3L 2 4.690 -1.221 2.444 22 H2E1 B3L 2 HD23 B3L 2 3.285 -0.421 1.739 23 H1E1 B3L 2 HD21 B3L 2 3.673 -0.185 3.444 24 HG1 B3A 3 HB1 B3A 3 8.027 5.496 1.292 25 HG2 B3A 3 HB2 B3A 3 9.184 6.678 0.680 26 HG3 B3A 3 HB3 B3A 3 9.744 5.319 1.655 27 HB B3A 3 HA B3A 3 9.363 5.491 -1.188 28 H B3A 3 HN B3A 3 7.582 4.082 -1.506 29 HA1 B3A 3 HQ1 B3A 3 11.226 4.513 -1.015 30 HA2 B3A 3 HQ2 B3A 3 10.097 3.350 -1.667 31 HN UVR 4 HN UVR 4 9.472 1.642 -0.528 32 HA UVR 4 HA UVR 4 11.897 0.320 -0.557 33 HB1 UVR 4 HB1 UVR 4 10.735 -0.444 2.038 34 HB2 UVR 4 HB2 UVR 4 11.432 1.169 2.018 35 HG1 UVR 4 HG1 UVR 4 13.476 0.341 2.173 36 HG2 UVR 4 HG2 UVR 4 13.225 -0.661 0.742 37 HD1 UVR 4 HD1 UVR 4 12.181 -1.451 3.448 38 HD2 UVR 4 HD2 UVR 4 13.811 -1.864 2.912 39 HE1 UVR 4 HE1 UVR 4 11.770 -2.495 0.929 40 HE2 UVR 4 HE2 UVR 4 11.534 -3.347 2.457 41 HF1 UVR 4 HF1 UVR 4 12.916 -4.692 0.999 42 HF2 UVR 4 HF2 UVR 4 13.897 -4.104 2.350 43 HY1 UVR 4 HY1 UVR 4 15.278 -3.237 -1.418 44 HY2 UVR 4 HY2 UVR 4 13.579 -3.740 -1.447 45 HZ1 UVR 4 HZ1 UVR 4 15.980 -5.422 -0.954 46 HZ2 UVR 4 HZ2 UVR 4 14.357 -5.969 -1.268 47 HZ3 UVR 4 HZ3 UVR 4 15.100 -5.569 0.256 Start of MODEL 40 1 H1 TRP 1 HN TRP 1 8.905 0.049 -1.083 2 HA TRP 1 HA TRP 1 7.560 -1.966 -1.367 3 HB2 TRP 1 HB2 TRP 1 8.884 -3.150 0.444 4 HB3 TRP 1 HB1 TRP 1 7.870 -2.304 1.608 5 HD1 TRP 1 HD1 TRP 1 5.783 -3.591 2.351 6 HE1 TRP 1 HE1 TRP 1 4.408 -5.562 1.430 7 HE3 TRP 1 HE3 TRP 1 8.215 -4.272 -2.094 8 HZ2 TRP 1 HZ2 TRP 1 4.359 -7.190 -0.877 9 HZ3 TRP 1 HZ3 TRP 1 7.442 -6.058 -3.600 10 HH2 TRP 1 HH2 TRP 1 5.555 -7.486 -3.002 11 HA B3L 2 HQ1 B3L 2 6.051 2.963 1.636 12 HAA B3L 2 HQ2 B3L 2 5.680 3.754 0.122 13 HB B3L 2 HA B3L 2 5.113 1.831 -0.882 14 HN B3L 2 HN B3L 2 7.449 0.747 -0.714 15 HG B3L 2 HB1 B3L 2 3.977 0.669 0.873 16 HGA B3L 2 HB2 B3L 2 4.270 2.292 1.460 17 HD B3L 2 HG B3L 2 6.417 0.462 2.171 18 H3E2 B3L 2 HD13 B3L 2 5.434 1.353 4.499 19 H2E2 B3L 2 HD11 B3L 2 4.753 2.563 3.411 20 H1E2 B3L 2 HD12 B3L 2 6.498 2.312 3.470 21 H3E1 B3L 2 HD22 B3L 2 4.082 -0.161 3.820 22 H2E1 B3L 2 HD23 B3L 2 5.358 -1.217 3.215 23 H1E1 B3L 2 HD21 B3L 2 3.995 -0.800 2.178 24 HG1 B3A 3 HB1 B3A 3 9.982 5.450 1.399 25 HG2 B3A 3 HB2 B3A 3 8.220 5.435 1.317 26 HG3 B3A 3 HB3 B3A 3 9.131 6.691 0.479 27 HB B3A 3 HA B3A 3 9.284 5.435 -1.342 28 H B3A 3 HN B3A 3 7.422 4.099 -1.423 29 HA1 B3A 3 HQ1 B3A 3 11.069 4.368 -1.417 30 HA2 B3A 3 HQ2 B3A 3 9.841 3.168 -1.742 31 HN UVR 4 HN UVR 4 9.396 1.614 -0.319 32 HA UVR 4 HA UVR 4 11.614 0.109 -0.690 33 HB1 UVR 4 HB1 UVR 4 11.397 -0.068 2.207 34 HB2 UVR 4 HB2 UVR 4 12.008 1.483 1.678 35 HG1 UVR 4 HG1 UVR 4 13.170 -1.139 0.781 36 HG2 UVR 4 HG2 UVR 4 13.748 -0.252 2.193 37 HD1 UVR 4 HD1 UVR 4 15.181 0.611 0.661 38 HD2 UVR 4 HD2 UVR 4 13.838 1.727 0.409 39 HE1 UVR 4 HE1 UVR 4 13.508 -0.661 -1.181 40 HE2 UVR 4 HE2 UVR 4 15.067 0.101 -1.502 41 HF1 UVR 4 HF1 UVR 4 13.166 2.184 -1.387 42 HF2 UVR 4 HF2 UVR 4 12.454 0.900 -2.372 43 HY1 UVR 4 HY1 UVR 4 16.371 1.667 -3.525 44 HY2 UVR 4 HY2 UVR 4 15.943 1.973 -1.833 45 HZ1 UVR 4 HZ1 UVR 4 16.179 3.953 -4.078 46 HZ2 UVR 4 HZ2 UVR 4 16.286 4.262 -2.367 47 HZ3 UVR 4 HZ3 UVR 4 14.867 4.162 -3.372 Start of MODEL 41 1 H1 TRP 1 HN TRP 1 8.654 -0.013 0.902 2 HA TRP 1 HA TRP 1 7.907 -1.979 -1.076 3 HB2 TRP 1 HB2 TRP 1 7.109 -2.378 1.786 4 HB3 TRP 1 HB1 TRP 1 7.031 -3.544 0.470 5 HD1 TRP 1 HD1 TRP 1 9.565 -4.400 -0.434 6 HE1 TRP 1 HE1 TRP 1 11.642 -4.947 0.985 7 HE3 TRP 1 HE3 TRP 1 8.318 -1.881 3.836 8 HZ2 TRP 1 HZ2 TRP 1 12.623 -4.384 3.573 9 HZ3 TRP 1 HZ3 TRP 1 9.879 -1.934 5.737 10 HH2 TRP 1 HH2 TRP 1 11.987 -3.162 5.607 11 HA B3L 2 HQ1 B3L 2 5.829 3.041 1.386 12 HAA B3L 2 HQ2 B3L 2 5.655 3.757 -0.204 13 HB B3L 2 HA B3L 2 5.320 1.743 -1.214 14 HN B3L 2 HN B3L 2 7.596 0.735 -0.251 15 HG B3L 2 HB1 B3L 2 3.728 1.009 0.278 16 HGA B3L 2 HB2 B3L 2 4.244 2.469 1.085 17 HD B3L 2 HG B3L 2 5.030 -0.356 1.739 18 H3E2 B3L 2 HD13 B3L 2 6.437 0.451 3.473 19 H2E2 B3L 2 HD11 B3L 2 5.955 2.118 3.166 20 H1E2 B3L 2 HD12 B3L 2 6.929 1.251 1.980 21 H3E1 B3L 2 HD22 B3L 2 3.271 1.693 3.007 22 H2E1 B3L 2 HD23 B3L 2 4.039 0.446 3.989 23 H1E1 B3L 2 HD21 B3L 2 2.949 -0.011 2.679 24 HG1 B3A 3 HB1 B3A 3 8.022 5.994 0.924 25 HG2 B3A 3 HB2 B3A 3 9.698 6.525 0.785 26 HG3 B3A 3 HB3 B3A 3 9.304 5.088 1.727 27 HB B3A 3 HA B3A 3 9.363 5.471 -1.247 28 H B3A 3 HN B3A 3 7.597 4.032 -1.521 29 HA1 B3A 3 HQ1 B3A 3 11.235 4.506 -1.053 30 HA2 B3A 3 HQ2 B3A 3 10.106 3.331 -1.683 31 HN UVR 4 HN UVR 4 9.459 1.663 -0.490 32 HA UVR 4 HA UVR 4 11.895 0.326 -0.480 33 HB1 UVR 4 HB1 UVR 4 10.515 -0.287 2.096 34 HB2 UVR 4 HB2 UVR 4 11.523 1.153 2.040 35 HG1 UVR 4 HG1 UVR 4 12.381 -1.679 1.494 36 HG2 UVR 4 HG2 UVR 4 12.814 -0.680 2.882 37 HD1 UVR 4 HD1 UVR 4 13.630 0.913 0.858 38 HD2 UVR 4 HD2 UVR 4 13.887 -0.677 0.140 39 HE1 UVR 4 HE1 UVR 4 15.423 -1.307 1.770 40 HE2 UVR 4 HE2 UVR 4 14.863 -0.081 2.908 41 HF1 UVR 4 HF1 UVR 4 16.984 0.635 2.068 42 HF2 UVR 4 HF2 UVR 4 15.747 1.661 1.329 43 HY1 UVR 4 HY1 UVR 4 17.726 1.862 -0.825 44 HY2 UVR 4 HY2 UVR 4 18.197 0.267 -1.436 45 HZ1 UVR 4 HZ1 UVR 4 18.804 0.172 1.340 46 HZ2 UVR 4 HZ2 UVR 4 19.426 1.706 0.800 47 HZ3 UVR 4 HZ3 UVR 4 19.823 0.106 0.238 Start of MODEL 42 1 H1 TRP 1 HN TRP 1 8.654 0.073 0.816 2 HA TRP 1 HA TRP 1 7.860 -1.976 -1.049 3 HB2 TRP 1 HB2 TRP 1 8.618 -3.205 0.978 4 HB3 TRP 1 HB1 TRP 1 7.470 -2.268 1.926 5 HD1 TRP 1 HD1 TRP 1 6.990 -4.263 -1.378 6 HE1 TRP 1 HE1 TRP 1 4.975 -5.833 -1.061 7 HE3 TRP 1 HE3 TRP 1 5.858 -3.164 3.486 8 HZ2 TRP 1 HZ2 TRP 1 3.147 -6.515 0.978 9 HZ3 TRP 1 HZ3 TRP 1 3.961 -4.320 4.545 10 HH2 TRP 1 HH2 TRP 1 2.635 -5.960 3.315 11 HA B3L 2 HQ1 B3L 2 5.830 2.991 1.380 12 HAA B3L 2 HQ2 B3L 2 5.643 3.756 -0.182 13 HB B3L 2 HA B3L 2 5.308 1.775 -1.260 14 HN B3L 2 HN B3L 2 7.573 0.725 -0.452 15 HG B3L 2 HB1 B3L 2 3.807 0.801 0.295 16 HGA B3L 2 HB2 B3L 2 4.097 2.416 0.903 17 HD B3L 2 HG B3L 2 5.986 0.532 2.025 18 H3E2 B3L 2 HD13 B3L 2 4.593 1.421 4.120 19 H2E2 B3L 2 HD11 B3L 2 4.104 2.629 2.931 20 H1E2 B3L 2 HD12 B3L 2 5.813 2.398 3.302 21 H3E1 B3L 2 HD22 B3L 2 3.305 -0.455 1.707 22 H2E1 B3L 2 HD23 B3L 2 3.674 -0.232 3.416 23 H1E1 B3L 2 HD21 B3L 2 4.712 -1.247 2.415 24 HG1 B3A 3 HB1 B3A 3 8.004 5.956 0.987 25 HG2 B3A 3 HB2 B3A 3 9.679 6.496 0.867 26 HG3 B3A 3 HB3 B3A 3 9.287 5.033 1.771 27 HB B3A 3 HA B3A 3 9.360 5.492 -1.192 28 H B3A 3 HN B3A 3 7.583 4.074 -1.505 29 HA1 B3A 3 HQ1 B3A 3 11.218 4.507 -1.040 30 HA2 B3A 3 HQ2 B3A 3 10.080 3.340 -1.670 31 HN UVR 4 HN UVR 4 9.464 1.643 -0.511 32 HA UVR 4 HA UVR 4 11.896 0.321 -0.548 33 HB1 UVR 4 HB1 UVR 4 10.561 0.298 2.172 34 HB2 UVR 4 HB2 UVR 4 12.139 0.976 1.802 35 HG1 UVR 4 HG1 UVR 4 12.854 -1.333 1.114 36 HG2 UVR 4 HG2 UVR 4 11.333 -1.917 1.791 37 HD1 UVR 4 HD1 UVR 4 11.919 -1.133 3.973 38 HD2 UVR 4 HD2 UVR 4 13.342 -0.298 3.346 39 HE1 UVR 4 HE1 UVR 4 14.398 -2.161 4.065 40 HE2 UVR 4 HE2 UVR 4 13.876 -2.788 2.499 41 HF1 UVR 4 HF1 UVR 4 12.318 -3.105 5.064 42 HF2 UVR 4 HF2 UVR 4 13.401 -4.331 4.388 43 HY1 UVR 4 HY1 UVR 4 10.933 -5.701 2.207 44 HY2 UVR 4 HY2 UVR 4 12.618 -5.799 2.745 45 HZ1 UVR 4 HZ1 UVR 4 11.642 -4.868 0.151 46 HZ2 UVR 4 HZ2 UVR 4 13.308 -4.916 0.660 47 HZ3 UVR 4 HZ3 UVR 4 12.164 -3.609 0.784 Start of MODEL 43 1 H1 TRP 1 HN TRP 1 8.907 0.371 0.626 2 HA TRP 1 HA TRP 1 7.646 -1.601 -0.928 3 HB2 TRP 1 HB2 TRP 1 6.657 -2.626 1.265 4 HB3 TRP 1 HB1 TRP 1 8.112 -3.301 0.551 5 HD1 TRP 1 HD1 TRP 1 8.297 -0.073 2.584 6 HE1 TRP 1 HE1 TRP 1 9.624 -0.523 4.744 7 HE3 TRP 1 HE3 TRP 1 8.734 -5.154 2.225 8 HZ2 TRP 1 HZ2 TRP 1 10.712 -2.740 6.113 9 HZ3 TRP 1 HZ3 TRP 1 9.933 -6.363 4.001 10 HH2 TRP 1 HH2 TRP 1 10.901 -5.179 5.904 11 HA B3L 2 HQ1 B3L 2 5.526 2.802 1.297 12 HAA B3L 2 HQ2 B3L 2 5.446 3.735 -0.179 13 HB B3L 2 HA B3L 2 5.059 1.905 -1.455 14 HN B3L 2 HN B3L 2 6.773 0.305 -1.454 15 HG B3L 2 HB1 B3L 2 3.518 2.175 0.308 16 HGA B3L 2 HB2 B3L 2 4.606 1.459 1.489 17 HD B3L 2 HG B3L 2 4.217 -0.718 0.646 18 H3E2 B3L 2 HD13 B3L 2 1.983 -1.029 1.316 19 H2E2 B3L 2 HD11 B3L 2 1.513 0.579 0.764 20 H1E2 B3L 2 HD12 B3L 2 2.543 0.400 2.185 21 H3E1 B3L 2 HD22 B3L 2 3.040 0.732 -1.642 22 H2E1 B3L 2 HD23 B3L 2 2.252 -0.774 -1.171 23 H1E1 B3L 2 HD21 B3L 2 3.962 -0.771 -1.604 24 HG1 B3A 3 HB1 B3A 3 7.907 5.386 1.309 25 HG2 B3A 3 HB2 B3A 3 9.346 6.351 0.977 26 HG3 B3A 3 HB3 B3A 3 9.488 4.829 1.858 27 HB B3A 3 HA B3A 3 9.282 5.358 -1.026 28 H B3A 3 HN B3A 3 7.606 3.827 -1.481 29 HA1 B3A 3 HQ1 B3A 3 11.147 4.424 -1.012 30 HA2 B3A 3 HQ2 B3A 3 10.044 3.219 -1.631 31 HN UVR 4 HN UVR 4 9.620 1.507 -0.625 32 HA UVR 4 HA UVR 4 11.972 0.202 -0.873 33 HB1 UVR 4 HB1 UVR 4 11.121 0.268 2.044 34 HB2 UVR 4 HB2 UVR 4 12.628 0.895 1.392 35 HG1 UVR 4 HG1 UVR 4 12.819 -1.642 0.562 36 HG2 UVR 4 HG2 UVR 4 11.837 -1.876 2.010 37 HD1 UVR 4 HD1 UVR 4 14.041 -2.062 2.773 38 HD2 UVR 4 HD2 UVR 4 13.569 -0.416 3.199 39 HE1 UVR 4 HE1 UVR 4 14.781 0.499 1.373 40 HE2 UVR 4 HE2 UVR 4 15.044 -1.096 0.666 41 HF1 UVR 4 HF1 UVR 4 17.091 -0.564 1.685 42 HF2 UVR 4 HF2 UVR 4 16.295 -1.648 2.835 43 HY1 UVR 4 HY1 UVR 4 18.450 0.245 3.622 44 HY2 UVR 4 HY2 UVR 4 17.659 1.199 4.887 45 HZ1 UVR 4 HZ1 UVR 4 17.821 3.155 3.586 46 HZ2 UVR 4 HZ2 UVR 4 17.504 2.334 2.082 47 HZ3 UVR 4 HZ3 UVR 4 19.007 2.487 2.948 Start of MODEL 44 1 H1 TRP 1 HN TRP 1 8.681 0.338 0.474 2 HA TRP 1 HA TRP 1 7.706 -1.900 -0.955 3 HB2 TRP 1 HB2 TRP 1 8.342 -2.144 1.921 4 HB3 TRP 1 HB1 TRP 1 6.790 -2.775 1.400 5 HD1 TRP 1 HD1 TRP 1 7.770 -3.983 -1.415 6 HE1 TRP 1 HE1 TRP 1 9.204 -6.120 -1.420 7 HE3 TRP 1 HE3 TRP 1 9.535 -3.788 3.380 8 HZ2 TRP 1 HZ2 TRP 1 10.864 -7.536 0.373 9 HZ3 TRP 1 HZ3 TRP 1 11.041 -5.572 4.156 10 HH2 TRP 1 HH2 TRP 1 11.690 -7.408 2.682 11 HA B3L 2 HQ1 B3L 2 5.769 2.764 1.376 12 HAA B3L 2 HQ2 B3L 2 5.545 3.720 -0.075 13 HB B3L 2 HA B3L 2 5.276 1.871 -1.406 14 HN B3L 2 HN B3L 2 7.343 0.577 -1.002 15 HG B3L 2 HB1 B3L 2 3.942 2.421 0.625 16 HGA B3L 2 HB2 B3L 2 4.833 1.190 1.514 17 HD B3L 2 HG B3L 2 3.925 -0.242 -0.571 18 H3E2 B3L 2 HD13 B3L 2 3.440 -1.336 1.321 19 H2E2 B3L 2 HD11 B3L 2 1.875 -0.529 1.222 20 H1E2 B3L 2 HD12 B3L 2 3.160 0.157 2.216 21 H3E1 B3L 2 HD22 B3L 2 2.450 1.050 -1.685 22 H2E1 B3L 2 HD23 B3L 2 2.176 2.109 -0.301 23 H1E1 B3L 2 HD21 B3L 2 1.359 0.548 -0.394 24 HG1 B3A 3 HB1 B3A 3 7.977 5.376 1.393 25 HG2 B3A 3 HB2 B3A 3 9.171 6.563 0.869 26 HG3 B3A 3 HB3 B3A 3 9.682 5.139 1.776 27 HB B3A 3 HA B3A 3 9.327 5.485 -1.062 28 H B3A 3 HN B3A 3 7.568 4.069 -1.470 29 HA1 B3A 3 HQ1 B3A 3 11.181 4.500 -0.981 30 HA2 B3A 3 HQ2 B3A 3 10.051 3.342 -1.640 31 HN UVR 4 HN UVR 4 9.523 1.580 -0.605 32 HA UVR 4 HA UVR 4 11.882 0.264 -0.798 33 HB1 UVR 4 HB1 UVR 4 12.602 0.922 1.387 34 HB2 UVR 4 HB2 UVR 4 12.133 -0.768 1.498 35 HG1 UVR 4 HG1 UVR 4 10.204 -0.286 2.697 36 HG2 UVR 4 HG2 UVR 4 10.198 1.404 2.191 37 HD1 UVR 4 HD1 UVR 4 11.068 1.774 4.233 38 HD2 UVR 4 HD2 UVR 4 12.578 1.266 3.477 39 HE1 UVR 4 HE1 UVR 4 12.359 -0.945 4.316 40 HE2 UVR 4 HE2 UVR 4 10.696 -0.653 4.830 41 HF1 UVR 4 HF1 UVR 4 11.783 1.218 6.299 42 HF2 UVR 4 HF2 UVR 4 13.254 0.260 6.075 43 HY1 UVR 4 HY1 UVR 4 9.738 -1.570 7.004 44 HY2 UVR 4 HY2 UVR 4 9.770 0.180 7.277 45 HZ1 UVR 4 HZ1 UVR 4 10.653 -1.843 9.408 46 HZ2 UVR 4 HZ2 UVR 4 9.105 -1.043 9.427 47 HZ3 UVR 4 HZ3 UVR 4 10.693 -0.359 9.647 Start of MODEL 45 1 H1 TRP 1 HN TRP 1 8.654 0.088 0.799 2 HA TRP 1 HA TRP 1 7.852 -1.965 -1.053 3 HB2 TRP 1 HB2 TRP 1 8.636 -2.754 1.448 4 HB3 TRP 1 HB1 TRP 1 6.914 -2.493 1.676 5 HD1 TRP 1 HD1 TRP 1 9.000 -4.266 -1.094 6 HE1 TRP 1 HE1 TRP 1 7.885 -6.532 -1.586 7 HE3 TRP 1 HE3 TRP 1 5.128 -4.006 2.234 8 HZ2 TRP 1 HZ2 TRP 1 5.658 -8.014 -0.684 9 HZ3 TRP 1 HZ3 TRP 1 3.550 -5.890 2.357 10 HH2 TRP 1 HH2 TRP 1 3.810 -7.852 0.927 11 HA B3L 2 HQ1 B3L 2 5.823 3.000 1.370 12 HAA B3L 2 HQ2 B3L 2 5.646 3.758 -0.198 13 HB B3L 2 HA B3L 2 5.298 1.775 -1.260 14 HN B3L 2 HN B3L 2 7.561 0.724 -0.489 15 HG B3L 2 HB1 B3L 2 3.807 0.793 0.304 16 HGA B3L 2 HB2 B3L 2 4.083 2.417 0.893 17 HD B3L 2 HG B3L 2 5.983 0.553 2.035 18 H3E2 B3L 2 HD13 B3L 2 4.109 2.665 2.914 19 H2E2 B3L 2 HD11 B3L 2 5.817 2.433 3.290 20 H1E2 B3L 2 HD12 B3L 2 4.593 1.473 4.120 21 H3E1 B3L 2 HD22 B3L 2 3.302 -0.437 1.738 22 H2E1 B3L 2 HD23 B3L 2 3.674 -0.188 3.443 23 H1E1 B3L 2 HD21 B3L 2 4.709 -1.219 2.456 24 HG1 B3A 3 HB1 B3A 3 8.009 5.984 0.968 25 HG2 B3A 3 HB2 B3A 3 9.700 6.478 0.884 26 HG3 B3A 3 HB3 B3A 3 9.249 5.025 1.776 27 HB B3A 3 HA B3A 3 9.361 5.490 -1.189 28 H B3A 3 HN B3A 3 7.581 4.081 -1.507 29 HA1 B3A 3 HQ1 B3A 3 11.222 4.510 -1.022 30 HA2 B3A 3 HQ2 B3A 3 10.092 3.346 -1.667 31 HN UVR 4 HN UVR 4 9.472 1.640 -0.525 32 HA UVR 4 HA UVR 4 11.898 0.319 -0.558 33 HB1 UVR 4 HB1 UVR 4 12.315 0.822 1.725 34 HB2 UVR 4 HB2 UVR 4 11.719 -0.832 1.715 35 HG1 UVR 4 HG1 UVR 4 9.741 -0.276 2.720 36 HG2 UVR 4 HG2 UVR 4 9.773 1.381 2.117 37 HD1 UVR 4 HD1 UVR 4 10.190 1.539 4.433 38 HD2 UVR 4 HD2 UVR 4 11.756 1.756 3.650 39 HE1 UVR 4 HE1 UVR 4 12.589 0.046 4.797 40 HE2 UVR 4 HE2 UVR 4 11.365 -1.026 4.115 41 HF1 UVR 4 HF1 UVR 4 11.112 -1.173 6.462 42 HF2 UVR 4 HF2 UVR 4 9.792 -0.136 5.903 43 HY1 UVR 4 HY1 UVR 4 9.915 1.888 8.126 44 HY2 UVR 4 HY2 UVR 4 9.805 2.243 6.393 45 HZ1 UVR 4 HZ1 UVR 4 12.383 3.188 7.241 46 HZ2 UVR 4 HZ2 UVR 4 11.218 3.838 8.363 47 HZ3 UVR 4 HZ3 UVR 4 11.299 4.035 6.634