*HEADER HYDROLASE INHIBITOR 13-JAN-09 SMS20067 *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[NMETRP-BLEU-ALA-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 22 *AUTHOR J.M.BEIERLE assign (resid 1 and name HB# ) (resid 1 and name HB# ) 2.7 1.13 0 assign (resid 2 and name HQ# ) (resid 2 and name HA ) 2.7 1.13 0 assign (resid 2 and name HQ# ) (resid 3 and name HN ) 2.7 1.13 0 assign (resid 1 and name HB# ) (resid 1 and name HE3 ) 2.7 1.13 0 assign (resid 3 and name HN ) (resid 4 and name HN ) 2.7 1.13 0 assign (resid 3 and name HB# ) (resid 3 and name HA ) 2.7 1.13 0 assign (resid 1 and name HA ) (resid 1 and name XXX ) 2.7 1.13 0 assign (resid 2 and name HN ) (resid 4 and name HN ) 2.7 1.13 0 assign (resid 4 and name HG# ) (resid 4 and name HA ) 3.5 1.93 0 assign (resid 2 and name HB# ) (resid 2 and name HA ) 3.5 1.93 0 assign (resid 1 and name HA ) (resid 2 and name HN ) 3.5 1.93 0 assign (resid 2 and name HA ) (resid 2 and name HN ) 3.5 1.93 0 assign (resid 2 and name HQ# ) (resid 2 and name HN ) 3.5 1.93 0 assign (resid 1 and name HB# ) (resid 1 and name HD1 ) 3.5 1.93 0 assign (resid 2 and name HD# ) (resid 2 and name HG ) 3.5 1.93 0 assign (resid 3 and name HA ) (resid 3 and name HN ) 3.5 1.93 0 assign (resid 1 and name HD1 ) (resid 1 and name HE1 ) 3.5 1.93 0 assign (resid 2 and name HD# ) (resid 2 and name HA ) 3.5 1.93 0 assign (resid 4 and name HA ) (resid 4 and name HN ) 3.5 1.93 0 assign (resid 4 and name HN ) (resid 3 and name HA ) 3.5 1.93 0 assign (resid 4 and name HG# ) (resid 3 and name HA ) 3.5 1.93 0 assign (resid 4 and name HB# ) (resid 4 and name HA ) 3.5 1.93 0 assign (resid 2 and name HQ# ) (resid 3 and name HA ) 3.5 1.93 0 assign (resid 1 and name HM# ) (resid 2 and name HN ) 3.5 1.93 0 assign (resid 1 and name HM# ) (resid 1 and name HD1 ) 3.5 1.93 0 assign (resid 4 and name HE# ) (resid 4 and name HF# ) 3.5 1.93 0 assign (resid 3 and name HB# ) (resid 3 and name HN ) 3.5 1.93 0 assign (resid 2 and name HB# ) (resid 2 and name HN ) 3.5 1.93 0 assign (resid 1 and name HA ) (resid 1 and name XXX ) 3.5 1.93 0 assign (resid 1 and name HB# ) (resid 1 and name HE3 ) 3.5 1.93 0 assign (resid 2 and name HQ# ) (resid 2 and name HA ) 3.5 1.93 0 assign (resid 4 and name HB# ) (resid 4 and name HN ) 3.5 1.93 0 assign (resid 4 and name HN ) (resid 1 and name HA ) 3.5 1.93 0 assign (resid 2 and name HB# ) (resid 2 and name HQ# ) 3.5 1.93 0 assign (resid 1 and name HZ2 ) (resid 1 and name HE1 ) 3.5 1.93 0 assign (resid 1 and name HB# ) (resid 1 and name HD1 ) 4.5 2.93 0 assign (resid 4 and name HD# ) (resid 4 and name HF# ) 4.5 2.93 0 assign (resid 1 and name HM# ) (resid 1 and name HE3 ) 4.5 2.93 0 assign (resid 4 and name HG# ) (resid 4 and name HN ) 4.5 2.93 0 assign (resid 2 and name HG ) (resid 1 and name HM# ) 4.5 2.93 0 assign (resid 2 and name HG ) (resid 2 and name HA ) 4.5 2.93 0 assign (resid 2 and name HB# ) (resid 2 and name HG ) 4.5 2.93 0 assign (resid 4 and name CZ# ) (resid 4 and name HY# ) 4.5 2.93 0 assign (resid 3 and name HB# ) (resid 4 and name HN ) 4.5 2.93 0 assign (resid 1 and name HM# ) (resid 1 and name HA ) 4.5 2.93 0 assign (resid 2 and name HN ) (resid 3 and name HN ) 4.5 2.93 0 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HM1 UVR 1 HM1 UVR 1 8.254 -0.642 -2.288 2 HM2 UVR 1 HM2 UVR 1 7.514 -0.892 -0.728 3 HM3 UVR 1 HM3 UVR 1 9.072 -1.437 -1.308 4 HA UVR 1 HA UVR 1 8.605 2.606 -0.205 5 HB1 UVR 1 HB1 UVR 1 8.309 3.489 -2.267 6 HB2 UVR 1 HB2 UVR 1 7.393 2.100 -2.847 7 HD1 UVR 1 HD1 UVR 1 8.612 0.605 -4.553 8 HE1 UVR 1 HE1 UVR 1 11.053 0.326 -5.324 9 HE3 UVR 1 HE3 UVR 1 10.867 3.708 -1.197 10 HZ2 UVR 1 HZ2 UVR 1 13.608 1.299 -4.597 11 HZ3 UVR 1 HZ3 UVR 1 13.315 3.986 -1.292 12 HH2 UVR 1 HH2 UVR 1 14.654 2.804 -2.959 13 HA B3L 2 HQ1 B3L 2 4.859 -0.422 1.857 14 HAA B3L 2 HQ2 B3L 2 4.072 0.690 2.967 15 HB B3L 2 HA B3L 2 4.682 2.561 1.757 16 HN B3L 2 HN B3L 2 7.050 2.599 1.143 17 HG B3L 2 HB1 B3L 2 3.265 0.725 1.136 18 HGA B3L 2 HB2 B3L 2 4.547 0.047 0.144 19 HD B3L 2 HG B3L 2 4.465 2.209 -1.193 20 H3E2 B3L 2 HD13 B3L 2 3.092 1.199 -2.664 21 H2E2 B3L 2 HD11 B3L 2 1.810 0.968 -1.475 22 H1E2 B3L 2 HD12 B3L 2 3.184 -0.137 -1.517 23 H3E1 B3L 2 HD22 B3L 2 3.319 3.818 -0.094 24 H2E1 B3L 2 HD23 B3L 2 2.286 2.663 0.746 25 H1E1 B3L 2 HD21 B3L 2 1.947 3.091 -0.931 26 H ALA 3 HN ALA 3 7.026 -0.756 1.987 27 HA ALA 3 HA ALA 3 7.908 -0.393 4.719 28 HB1 ALA 3 HB1 ALA 3 9.321 -2.549 4.193 29 HB2 ALA 3 HB2 ALA 3 8.011 -2.872 3.058 30 HB3 ALA 3 HB3 ALA 3 7.664 -2.691 4.776 31 HN UVR 4 HN UVR 4 8.127 1.246 2.398 32 HA UVR 4 HA UVR 4 9.625 2.402 1.101 33 HB1 UVR 4 HB1 UVR 4 11.978 2.174 1.345 34 HB2 UVR 4 HB2 UVR 4 11.822 0.575 2.059 35 HG1 UVR 4 HG1 UVR 4 10.371 2.301 3.724 36 HG2 UVR 4 HG2 UVR 4 11.873 3.142 3.333 37 HD1 UVR 4 HD1 UVR 4 11.654 0.343 4.441 38 HD2 UVR 4 HD2 UVR 4 12.113 1.782 5.353 39 HE1 UVR 4 HE1 UVR 4 14.226 1.317 4.820 40 HE2 UVR 4 HE2 UVR 4 13.825 1.788 3.168 41 HF1 UVR 4 HF1 UVR 4 12.942 -0.721 3.079 42 HF2 UVR 4 HF2 UVR 4 14.160 -0.917 4.347 43 HY1 UVR 4 HY1 UVR 4 13.659 0.678 1.058 44 HY2 UVR 4 HY2 UVR 4 14.841 -0.416 0.322 45 HZ1 UVR 4 HZ1 UVR 4 16.644 1.226 0.701 46 HZ2 UVR 4 HZ2 UVR 4 15.603 2.269 1.631 47 HZ3 UVR 4 HZ3 UVR 4 15.579 1.944 -0.080 Start of MODEL 2 1 HM1 UVR 1 HM1 UVR 1 7.332 0.907 -2.428 2 HM2 UVR 1 HM2 UVR 1 8.494 -0.399 -2.414 3 HM3 UVR 1 HM3 UVR 1 8.652 1.206 -3.087 4 HA UVR 1 HA UVR 1 9.177 2.907 0.147 5 HB1 UVR 1 HB1 UVR 1 7.349 3.000 -2.259 6 HB2 UVR 1 HB2 UVR 1 9.042 3.488 -2.242 7 HD1 UVR 1 HD1 UVR 1 5.610 4.802 -1.623 8 HE1 UVR 1 HE1 UVR 1 5.737 7.222 -0.754 9 HE3 UVR 1 HE3 UVR 1 10.617 5.044 -0.632 10 HZ2 UVR 1 HZ2 UVR 1 7.702 8.998 0.223 11 HZ3 UVR 1 HZ3 UVR 1 11.543 7.139 0.269 12 HH2 UVR 1 HH2 UVR 1 10.113 9.074 0.685 13 HA B3L 2 HQ1 B3L 2 4.900 -0.753 2.087 14 HAA B3L 2 HQ2 B3L 2 4.073 0.628 2.790 15 HB B3L 2 HA B3L 2 4.571 2.008 1.032 16 HN B3L 2 HN B3L 2 6.573 0.674 -0.539 17 HG B3L 2 HB1 B3L 2 3.322 -0.045 1.004 18 HGA B3L 2 HB2 B3L 2 4.690 -0.876 0.277 19 HD B3L 2 HG B3L 2 4.436 0.948 -1.587 20 H3E2 B3L 2 HD13 B3L 2 2.727 -0.540 -2.700 21 H2E2 B3L 2 HD11 B3L 2 2.676 -1.457 -1.194 22 H1E2 B3L 2 HD12 B3L 2 4.182 -1.340 -2.105 23 H3E1 B3L 2 HD22 B3L 2 1.549 0.804 -0.990 24 H2E1 B3L 2 HD23 B3L 2 2.492 2.088 -1.746 25 H1E1 B3L 2 HD21 B3L 2 2.501 1.902 0.008 26 H ALA 3 HN ALA 3 6.988 -1.057 2.362 27 HA ALA 3 HA ALA 3 7.785 0.051 4.928 28 HB1 ALA 3 HB1 ALA 3 7.589 -2.213 5.417 29 HB2 ALA 3 HB2 ALA 3 9.291 -2.077 4.973 30 HB3 ALA 3 HB3 ALA 3 8.124 -2.705 3.809 31 HN UVR 4 HN UVR 4 8.118 0.340 1.752 32 HA UVR 4 HA UVR 4 10.124 1.914 1.235 33 HB1 UVR 4 HB1 UVR 4 11.375 -0.801 1.704 34 HB2 UVR 4 HB2 UVR 4 11.766 0.707 2.519 35 HG1 UVR 4 HG1 UVR 4 12.962 1.529 0.736 36 HG2 UVR 4 HG2 UVR 4 12.137 0.497 -0.433 37 HD1 UVR 4 HD1 UVR 4 13.850 -0.710 1.702 38 HD2 UVR 4 HD2 UVR 4 14.580 -0.049 0.239 39 HE1 UVR 4 HE1 UVR 4 14.201 -2.048 -0.681 40 HE2 UVR 4 HE2 UVR 4 12.503 -1.573 -0.735 41 HF1 UVR 4 HF1 UVR 4 12.431 -2.492 1.695 42 HF2 UVR 4 HF2 UVR 4 13.913 -3.341 1.227 43 HY1 UVR 4 HY1 UVR 4 12.918 -5.905 -0.075 44 HY2 UVR 4 HY2 UVR 4 13.829 -4.671 -0.963 45 HZ1 UVR 4 HZ1 UVR 4 11.919 -4.491 -2.603 46 HZ2 UVR 4 HZ2 UVR 4 11.054 -5.748 -1.763 47 HZ3 UVR 4 HZ3 UVR 4 12.534 -5.862 -2.675 Start of MODEL 3 1 HM1 UVR 1 HM1 UVR 1 7.643 -0.273 -2.019 2 HM2 UVR 1 HM2 UVR 1 9.017 0.278 -2.948 3 HM3 UVR 1 HM3 UVR 1 7.514 1.101 -2.618 4 HA UVR 1 HA UVR 1 9.172 2.919 0.070 5 HB1 UVR 1 HB1 UVR 1 8.008 4.376 -1.389 6 HB2 UVR 1 HB2 UVR 1 7.183 3.041 -2.190 7 HD1 UVR 1 HD1 UVR 1 8.241 2.251 -4.401 8 HE1 UVR 1 HE1 UVR 1 10.506 2.604 -5.574 9 HE3 UVR 1 HE3 UVR 1 10.671 4.771 -0.698 10 HZ2 UVR 1 HZ2 UVR 1 13.002 3.800 -4.997 11 HZ3 UVR 1 HZ3 UVR 1 12.998 5.490 -1.078 12 HH2 UVR 1 HH2 UVR 1 14.137 5.013 -3.186 13 HA B3L 2 HQ1 B3L 2 4.886 -0.721 2.115 14 HAA B3L 2 HQ2 B3L 2 4.092 0.674 2.829 15 HB B3L 2 HA B3L 2 4.601 2.048 1.065 16 HN B3L 2 HN B3L 2 6.553 0.664 -0.526 17 HG B3L 2 HB1 B3L 2 3.602 0.640 -0.404 18 HGA B3L 2 HB2 B3L 2 3.426 -0.165 1.139 19 HD B3L 2 HG B3L 2 5.831 -1.119 0.008 20 H3E2 B3L 2 HD13 B3L 2 3.703 -2.133 1.334 21 H2E2 B3L 2 HD11 B3L 2 4.948 -3.111 0.559 22 H1E2 B3L 2 HD12 B3L 2 3.431 -2.787 -0.280 23 H3E1 B3L 2 HD22 B3L 2 5.495 -0.701 -2.188 24 H2E1 B3L 2 HD23 B3L 2 3.746 -0.560 -2.006 25 H1E1 B3L 2 HD21 B3L 2 4.501 -2.153 -2.074 26 H ALA 3 HN ALA 3 6.966 -1.067 2.363 27 HA ALA 3 HA ALA 3 7.794 -0.015 4.945 28 HB1 ALA 3 HB1 ALA 3 7.432 -2.662 4.320 29 HB2 ALA 3 HB2 ALA 3 8.463 -2.059 5.617 30 HB3 ALA 3 HB3 ALA 3 9.159 -2.442 4.043 31 HN UVR 4 HN UVR 4 8.106 0.344 1.762 32 HA UVR 4 HA UVR 4 10.062 1.954 1.233 33 HB1 UVR 4 HB1 UVR 4 11.398 -0.697 1.806 34 HB2 UVR 4 HB2 UVR 4 11.755 0.866 2.527 35 HG1 UVR 4 HG1 UVR 4 12.612 1.667 0.385 36 HG2 UVR 4 HG2 UVR 4 12.261 0.095 -0.338 37 HD1 UVR 4 HD1 UVR 4 13.849 -0.989 1.099 38 HD2 UVR 4 HD2 UVR 4 14.102 0.497 2.015 39 HE1 UVR 4 HE1 UVR 4 14.562 0.751 -0.872 40 HE2 UVR 4 HE2 UVR 4 15.671 -0.345 -0.045 41 HF1 UVR 4 HF1 UVR 4 15.883 1.598 1.679 42 HF2 UVR 4 HF2 UVR 4 15.262 2.592 0.353 43 HY1 UVR 4 HY1 UVR 4 16.553 2.081 -2.022 44 HY2 UVR 4 HY2 UVR 4 18.308 1.994 -1.787 45 HZ1 UVR 4 HZ1 UVR 4 18.330 4.244 -0.802 46 HZ2 UVR 4 HZ2 UVR 4 16.592 4.320 -0.719 47 HZ3 UVR 4 HZ3 UVR 4 17.623 4.396 -2.120 Start of MODEL 4 1 HM1 UVR 1 HM1 UVR 1 8.341 1.304 -3.035 2 HM2 UVR 1 HM2 UVR 1 7.426 0.084 -2.182 3 HM3 UVR 1 HM3 UVR 1 9.068 0.013 -2.773 4 HA UVR 1 HA UVR 1 9.174 2.916 0.102 5 HB1 UVR 1 HB1 UVR 1 7.322 2.959 -2.284 6 HB2 UVR 1 HB2 UVR 1 9.015 3.441 -2.302 7 HD1 UVR 1 HD1 UVR 1 5.597 4.780 -1.657 8 HE1 UVR 1 HE1 UVR 1 5.744 7.218 -0.847 9 HE3 UVR 1 HE3 UVR 1 10.622 5.030 -0.756 10 HZ2 UVR 1 HZ2 UVR 1 7.731 9.011 0.056 11 HZ3 UVR 1 HZ3 UVR 1 11.567 7.142 0.080 12 HH2 UVR 1 HH2 UVR 1 10.150 9.091 0.477 13 HA B3L 2 HQ1 B3L 2 4.899 -0.737 2.105 14 HAA B3L 2 HQ2 B3L 2 4.086 0.650 2.812 15 HB B3L 2 HA B3L 2 4.591 2.025 1.048 16 HN B3L 2 HN B3L 2 6.567 0.667 -0.532 17 HG B3L 2 HB1 B3L 2 3.622 0.605 -0.427 18 HGA B3L 2 HB2 B3L 2 3.444 -0.203 1.115 19 HD B3L 2 HG B3L 2 5.871 -1.122 -0.004 20 H3E2 B3L 2 HD13 B3L 2 3.494 -2.826 -0.288 21 H2E2 B3L 2 HD11 B3L 2 3.761 -2.165 1.325 22 H1E2 B3L 2 HD12 B3L 2 5.018 -3.128 0.547 23 H3E1 B3L 2 HD22 B3L 2 5.321 -1.907 -2.167 24 H2E1 B3L 2 HD23 B3L 2 4.910 -0.192 -2.145 25 H1E1 B3L 2 HD21 B3L 2 3.639 -1.405 -1.999 26 H ALA 3 HN ALA 3 6.975 -1.067 2.369 27 HA ALA 3 HA ALA 3 7.791 0.012 4.942 28 HB1 ALA 3 HB1 ALA 3 8.544 -2.013 5.626 29 HB2 ALA 3 HB2 ALA 3 9.106 -2.457 4.015 30 HB3 ALA 3 HB3 ALA 3 7.400 -2.623 4.431 31 HN UVR 4 HN UVR 4 8.109 0.334 1.758 32 HA UVR 4 HA UVR 4 10.082 1.936 1.235 33 HB1 UVR 4 HB1 UVR 4 11.382 -0.736 1.784 34 HB2 UVR 4 HB2 UVR 4 11.767 0.818 2.511 35 HG1 UVR 4 HG1 UVR 4 12.213 1.345 -0.113 36 HG2 UVR 4 HG2 UVR 4 12.674 -0.356 -0.012 37 HD1 UVR 4 HD1 UVR 4 14.090 0.250 1.975 38 HD2 UVR 4 HD2 UVR 4 13.766 1.943 1.598 39 HE1 UVR 4 HE1 UVR 4 14.567 0.961 -0.825 40 HE2 UVR 4 HE2 UVR 4 15.569 0.039 0.298 41 HF1 UVR 4 HF1 UVR 4 16.457 2.041 1.263 42 HF2 UVR 4 HF2 UVR 4 15.304 3.044 0.370 43 HY1 UVR 4 HY1 UVR 4 16.886 3.084 -2.760 44 HY2 UVR 4 HY2 UVR 4 15.294 2.532 -2.212 45 HZ1 UVR 4 HZ1 UVR 4 16.718 0.134 -2.314 46 HZ2 UVR 4 HZ2 UVR 4 17.323 0.968 -3.719 47 HZ3 UVR 4 HZ3 UVR 4 15.684 0.521 -3.335 Start of MODEL 5 1 HM1 UVR 1 HM1 UVR 1 9.048 0.606 -3.017 2 HM2 UVR 1 HM2 UVR 1 7.427 1.078 -2.568 3 HM3 UVR 1 HM3 UVR 1 8.262 -0.428 -2.259 4 HA UVR 1 HA UVR 1 9.174 2.903 0.156 5 HB1 UVR 1 HB1 UVR 1 8.040 4.431 -1.264 6 HB2 UVR 1 HB2 UVR 1 7.245 3.130 -2.148 7 HD1 UVR 1 HD1 UVR 1 8.372 2.450 -4.361 8 HE1 UVR 1 HE1 UVR 1 10.676 2.850 -5.440 9 HE3 UVR 1 HE3 UVR 1 10.680 4.780 -0.461 10 HZ2 UVR 1 HZ2 UVR 1 13.155 4.009 -4.721 11 HZ3 UVR 1 HZ3 UVR 1 13.020 5.509 -0.727 12 HH2 UVR 1 HH2 UVR 1 14.229 5.129 -2.815 13 HA B3L 2 HQ1 B3L 2 4.901 -0.749 2.100 14 HAA B3L 2 HQ2 B3L 2 4.077 0.637 2.797 15 HB B3L 2 HA B3L 2 4.573 2.003 1.028 16 HN B3L 2 HN B3L 2 6.573 0.671 -0.539 17 HG B3L 2 HB1 B3L 2 3.640 0.561 -0.457 18 HGA B3L 2 HB2 B3L 2 3.450 -0.236 1.089 19 HD B3L 2 HG B3L 2 5.902 -1.138 0.009 20 H3E2 B3L 2 HD13 B3L 2 5.065 -3.142 0.580 21 H2E2 B3L 2 HD11 B3L 2 3.558 -2.878 -0.298 22 H1E2 B3L 2 HD12 B3L 2 3.774 -2.192 1.313 23 H3E1 B3L 2 HD22 B3L 2 4.671 -2.233 -2.083 24 H2E1 B3L 2 HD23 B3L 2 5.564 -0.716 -2.196 25 H1E1 B3L 2 HD21 B3L 2 3.808 -0.695 -2.039 26 H ALA 3 HN ALA 3 6.980 -1.064 2.369 27 HA ALA 3 HA ALA 3 7.786 0.042 4.935 28 HB1 ALA 3 HB1 ALA 3 9.104 -2.439 4.050 29 HB2 ALA 3 HB2 ALA 3 7.395 -2.600 4.458 30 HB3 ALA 3 HB3 ALA 3 8.532 -1.973 5.652 31 HN UVR 4 HN UVR 4 8.120 0.312 1.743 32 HA UVR 4 HA UVR 4 10.116 1.913 1.243 33 HB1 UVR 4 HB1 UVR 4 11.369 -0.791 1.745 34 HB2 UVR 4 HB2 UVR 4 11.780 0.741 2.502 35 HG1 UVR 4 HG1 UVR 4 13.367 1.032 0.998 36 HG2 UVR 4 HG2 UVR 4 12.134 1.105 -0.262 37 HD1 UVR 4 HD1 UVR 4 13.605 -0.593 -0.948 38 HD2 UVR 4 HD2 UVR 4 12.213 -1.439 -0.269 39 HE1 UVR 4 HE1 UVR 4 14.227 -0.854 1.740 40 HE2 UVR 4 HE2 UVR 4 14.867 -1.829 0.415 41 HF1 UVR 4 HF1 UVR 4 13.483 -3.606 0.870 42 HF2 UVR 4 HF2 UVR 4 12.237 -2.583 1.599 43 HY1 UVR 4 HY1 UVR 4 15.892 -2.472 3.247 44 HY2 UVR 4 HY2 UVR 4 15.708 -3.830 2.125 45 HZ1 UVR 4 HZ1 UVR 4 16.425 -4.187 4.779 46 HZ2 UVR 4 HZ2 UVR 4 15.469 -5.395 3.966 47 HZ3 UVR 4 HZ3 UVR 4 14.950 -4.149 5.065 Start of MODEL 6 1 HM1 UVR 1 HM1 UVR 1 8.891 0.908 -3.091 2 HM2 UVR 1 HM2 UVR 1 7.298 0.740 -2.392 3 HM3 UVR 1 HM3 UVR 1 8.616 -0.407 -2.412 4 HA UVR 1 HA UVR 1 9.174 2.916 0.115 5 HB1 UVR 1 HB1 UVR 1 7.291 3.001 -2.244 6 HB2 UVR 1 HB2 UVR 1 9.002 3.409 -2.315 7 HD1 UVR 1 HD1 UVR 1 5.667 4.902 -1.582 8 HE1 UVR 1 HE1 UVR 1 5.946 7.333 -0.786 9 HE3 UVR 1 HE3 UVR 1 10.720 4.927 -0.815 10 HZ2 UVR 1 HZ2 UVR 1 8.034 9.037 0.057 11 HZ3 UVR 1 HZ3 UVR 1 11.782 6.997 -0.013 12 HH2 UVR 1 HH2 UVR 1 10.466 9.009 0.412 13 HA B3L 2 HQ1 B3L 2 4.901 -0.740 2.105 14 HAA B3L 2 HQ2 B3L 2 4.084 0.647 2.808 15 HB B3L 2 HA B3L 2 4.583 2.017 1.041 16 HN B3L 2 HN B3L 2 6.567 0.669 -0.536 17 HG B3L 2 HB1 B3L 2 3.627 0.588 -0.434 18 HGA B3L 2 HB2 B3L 2 3.449 -0.217 1.109 19 HD B3L 2 HG B3L 2 5.885 -1.124 -0.005 20 H3E2 B3L 2 HD13 B3L 2 4.268 -3.217 -0.339 21 H2E2 B3L 2 HD11 B3L 2 3.235 -2.235 0.699 22 H1E2 B3L 2 HD12 B3L 2 4.844 -2.702 1.247 23 H3E1 B3L 2 HD22 B3L 2 4.755 -0.178 -2.133 24 H2E1 B3L 2 HD23 B3L 2 3.705 -1.589 -2.000 25 H1E1 B3L 2 HD21 B3L 2 5.447 -1.799 -2.177 26 H ALA 3 HN ALA 3 6.974 -1.067 2.370 27 HA ALA 3 HA ALA 3 7.791 0.021 4.940 28 HB1 ALA 3 HB1 ALA 3 7.810 -2.722 3.915 29 HB2 ALA 3 HB2 ALA 3 7.873 -2.139 5.578 30 HB3 ALA 3 HB3 ALA 3 9.346 -2.211 4.612 31 HN UVR 4 HN UVR 4 8.114 0.322 1.752 32 HA UVR 4 HA UVR 4 10.085 1.932 1.238 33 HB1 UVR 4 HB1 UVR 4 11.395 -0.747 1.743 34 HB2 UVR 4 HB2 UVR 4 11.756 0.785 2.525 35 HG1 UVR 4 HG1 UVR 4 13.270 1.280 0.996 36 HG2 UVR 4 HG2 UVR 4 12.104 1.048 -0.306 37 HD1 UVR 4 HD1 UVR 4 13.807 -0.493 -0.766 38 HD2 UVR 4 HD2 UVR 4 12.534 -1.454 -0.009 39 HE1 UVR 4 HE1 UVR 4 13.796 -1.002 2.191 40 HE2 UVR 4 HE2 UVR 4 15.146 -0.545 1.148 41 HF1 UVR 4 HF1 UVR 4 15.540 -2.805 1.552 42 HF2 UVR 4 HF2 UVR 4 14.713 -2.821 -0.012 43 HY1 UVR 4 HY1 UVR 4 13.364 -4.801 -0.025 44 HY2 UVR 4 HY2 UVR 4 12.234 -5.135 1.299 45 HZ1 UVR 4 HZ1 UVR 4 14.115 -6.855 1.228 46 HZ2 UVR 4 HZ2 UVR 4 14.304 -5.914 2.682 47 HZ3 UVR 4 HZ3 UVR 4 15.210 -5.825 1.197 Start of MODEL 7 1 HM1 UVR 1 HM1 UVR 1 7.761 1.450 -2.767 2 HM2 UVR 1 HM2 UVR 1 7.822 -0.206 -2.214 3 HM3 UVR 1 HM3 UVR 1 9.052 0.725 -3.034 4 HA UVR 1 HA UVR 1 9.171 2.883 0.255 5 HB1 UVR 1 HB1 UVR 1 8.091 4.496 -1.110 6 HB2 UVR 1 HB2 UVR 1 7.303 3.255 -2.080 7 HD1 UVR 1 HD1 UVR 1 8.497 2.608 -4.271 8 HE1 UVR 1 HE1 UVR 1 10.821 3.056 -5.285 9 HE3 UVR 1 HE3 UVR 1 10.700 4.865 -0.259 10 HZ2 UVR 1 HZ2 UVR 1 13.270 4.218 -4.482 11 HZ3 UVR 1 HZ3 UVR 1 13.037 5.618 -0.458 12 HH2 UVR 1 HH2 UVR 1 14.293 5.300 -2.528 13 HA B3L 2 HQ1 B3L 2 4.905 -0.777 2.096 14 HAA B3L 2 HQ2 B3L 2 4.066 0.612 2.769 15 HB B3L 2 HA B3L 2 4.538 1.945 0.983 16 HN B3L 2 HN B3L 2 6.598 0.672 -0.551 17 HG B3L 2 HB1 B3L 2 3.359 -0.149 0.961 18 HGA B3L 2 HB2 B3L 2 4.768 -0.944 0.272 19 HD B3L 2 HG B3L 2 4.485 0.849 -1.621 20 H3E2 B3L 2 HD13 B3L 2 2.916 -1.666 -1.197 21 H2E2 B3L 2 HD11 B3L 2 4.333 -1.395 -2.212 22 H1E2 B3L 2 HD12 B3L 2 2.768 -0.736 -2.688 23 H3E1 B3L 2 HD22 B3L 2 1.596 0.587 -0.997 24 H2E1 B3L 2 HD23 B3L 2 2.455 1.850 -1.879 25 H1E1 B3L 2 HD21 B3L 2 2.522 1.802 -0.116 26 H ALA 3 HN ALA 3 6.978 -1.074 2.394 27 HA ALA 3 HA ALA 3 7.774 0.089 4.936 28 HB1 ALA 3 HB1 ALA 3 8.863 -1.893 5.553 29 HB2 ALA 3 HB2 ALA 3 8.862 -2.511 3.901 30 HB3 ALA 3 HB3 ALA 3 7.359 -2.456 4.824 31 HN UVR 4 HN UVR 4 8.148 0.174 1.692 32 HA UVR 4 HA UVR 4 10.140 1.864 1.272 33 HB1 UVR 4 HB1 UVR 4 11.976 -0.086 0.642 34 HB2 UVR 4 HB2 UVR 4 11.305 -0.689 2.151 35 HG1 UVR 4 HG1 UVR 4 13.169 0.594 2.759 36 HG2 UVR 4 HG2 UVR 4 11.771 1.611 3.112 37 HD1 UVR 4 HD1 UVR 4 12.726 3.203 1.886 38 HD2 UVR 4 HD2 UVR 4 12.421 2.198 0.469 39 HE1 UVR 4 HE1 UVR 4 14.705 1.089 1.532 40 HE2 UVR 4 HE2 UVR 4 14.930 2.816 1.817 41 HF1 UVR 4 HF1 UVR 4 14.058 2.894 -0.723 42 HF2 UVR 4 HF2 UVR 4 14.839 1.305 -0.725 43 HY1 UVR 4 HY1 UVR 4 18.220 2.550 -0.040 44 HY2 UVR 4 HY2 UVR 4 17.133 1.406 0.767 45 HZ1 UVR 4 HZ1 UVR 4 18.393 3.403 2.168 46 HZ2 UVR 4 HZ2 UVR 4 16.763 2.972 2.606 47 HZ3 UVR 4 HZ3 UVR 4 17.320 4.327 1.662 Start of MODEL 8 1 HM1 UVR 1 HM1 UVR 1 7.699 -0.985 -0.673 2 HM2 UVR 1 HM2 UVR 1 9.182 -1.389 -1.502 3 HM3 UVR 1 HM3 UVR 1 7.810 -0.468 -2.077 4 HA UVR 1 HA UVR 1 8.576 2.588 -0.184 5 HB1 UVR 1 HB1 UVR 1 8.187 3.466 -2.236 6 HB2 UVR 1 HB2 UVR 1 7.336 2.035 -2.807 7 HD1 UVR 1 HD1 UVR 1 8.600 0.629 -4.553 8 HE1 UVR 1 HE1 UVR 1 11.041 0.481 -5.364 9 HE3 UVR 1 HE3 UVR 1 10.749 3.797 -1.191 10 HZ2 UVR 1 HZ2 UVR 1 13.555 1.571 -4.659 11 HZ3 UVR 1 HZ3 UVR 1 13.178 4.198 -1.317 12 HH2 UVR 1 HH2 UVR 1 14.549 3.106 -3.017 13 HA B3L 2 HQ1 B3L 2 4.835 -0.383 1.884 14 HAA B3L 2 HQ2 B3L 2 4.086 0.738 3.009 15 HB B3L 2 HA B3L 2 4.671 2.599 1.773 16 HN B3L 2 HN B3L 2 6.955 2.737 1.048 17 HG B3L 2 HB1 B3L 2 3.194 0.860 1.159 18 HGA B3L 2 HB2 B3L 2 4.453 0.041 0.247 19 HD B3L 2 HG B3L 2 4.399 1.629 -1.481 20 H3E2 B3L 2 HD13 B3L 2 2.216 1.486 -2.285 21 H2E2 B3L 2 HD11 B3L 2 1.514 1.590 -0.670 22 H1E2 B3L 2 HD12 B3L 2 2.351 0.122 -1.176 23 H3E1 B3L 2 HD22 B3L 2 2.860 3.696 -1.184 24 H2E1 B3L 2 HD23 B3L 2 4.482 3.717 -0.490 25 H1E1 B3L 2 HD21 B3L 2 3.087 3.399 0.540 26 H ALA 3 HN ALA 3 6.995 -0.751 1.964 27 HA ALA 3 HA ALA 3 7.917 -0.443 4.694 28 HB1 ALA 3 HB1 ALA 3 9.057 -2.580 4.582 29 HB2 ALA 3 HB2 ALA 3 8.513 -2.813 2.921 30 HB3 ALA 3 HB3 ALA 3 7.343 -2.818 4.241 31 HN UVR 4 HN UVR 4 8.144 1.263 2.432 32 HA UVR 4 HA UVR 4 9.611 2.411 1.111 33 HB1 UVR 4 HB1 UVR 4 11.995 0.783 1.682 34 HB2 UVR 4 HB2 UVR 4 11.299 1.575 3.089 35 HG1 UVR 4 HG1 UVR 4 11.356 3.717 1.741 36 HG2 UVR 4 HG2 UVR 4 12.358 2.841 0.582 37 HD1 UVR 4 HD1 UVR 4 13.862 3.964 2.013 38 HD2 UVR 4 HD2 UVR 4 13.877 2.275 2.527 39 HE1 UVR 4 HE1 UVR 4 13.377 2.941 4.588 40 HE2 UVR 4 HE2 UVR 4 11.825 3.524 3.988 41 HF1 UVR 4 HF1 UVR 4 12.644 5.463 4.889 42 HF2 UVR 4 HF2 UVR 4 13.296 5.599 3.249 43 HY1 UVR 4 HY1 UVR 4 15.952 5.683 3.119 44 HY2 UVR 4 HY2 UVR 4 16.680 5.879 4.722 45 HZ1 UVR 4 HZ1 UVR 4 15.403 7.949 3.273 46 HZ2 UVR 4 HZ2 UVR 4 15.619 8.008 5.000 47 HZ3 UVR 4 HZ3 UVR 4 14.214 7.524 4.088 Start of MODEL 9 1 HM1 UVR 1 HM1 UVR 1 8.374 1.501 -3.027 2 HM2 UVR 1 HM2 UVR 1 7.446 0.234 -2.259 3 HM3 UVR 1 HM3 UVR 1 9.094 0.193 -2.836 4 HA UVR 1 HA UVR 1 9.169 2.907 0.226 5 HB1 UVR 1 HB1 UVR 1 7.275 3.224 -2.096 6 HB2 UVR 1 HB2 UVR 1 9.015 3.454 -2.243 7 HD1 UVR 1 HD1 UVR 1 5.901 5.263 -1.302 8 HE1 UVR 1 HE1 UVR 1 6.478 7.610 -0.415 9 HE3 UVR 1 HE3 UVR 1 10.947 4.697 -0.745 10 HZ2 UVR 1 HZ2 UVR 1 8.774 9.033 0.411 11 HZ3 UVR 1 HZ3 UVR 1 12.264 6.599 0.100 12 HH2 UVR 1 HH2 UVR 1 11.197 8.721 0.665 13 HA B3L 2 HQ1 B3L 2 4.910 -0.780 2.098 14 HAA B3L 2 HQ2 B3L 2 4.068 0.609 2.766 15 HB B3L 2 HA B3L 2 4.550 1.943 0.983 16 HN B3L 2 HN B3L 2 6.617 0.656 -0.538 17 HG B3L 2 HB1 B3L 2 3.365 -0.147 0.962 18 HGA B3L 2 HB2 B3L 2 4.772 -0.947 0.274 19 HD B3L 2 HG B3L 2 4.567 0.365 -1.757 20 H3E2 B3L 2 HD13 B3L 2 3.345 -1.683 -1.743 21 H2E2 B3L 2 HD11 B3L 2 2.334 -0.460 -2.512 22 H1E2 B3L 2 HD12 B3L 2 2.016 -0.948 -0.846 23 H3E1 B3L 2 HD22 B3L 2 2.598 1.862 -0.125 24 H2E1 B3L 2 HD23 B3L 2 2.247 1.664 -1.842 25 H1E1 B3L 2 HD21 B3L 2 3.746 2.441 -1.331 26 H ALA 3 HN ALA 3 6.969 -1.086 2.410 27 HA ALA 3 HA ALA 3 7.763 0.068 4.956 28 HB1 ALA 3 HB1 ALA 3 9.376 -2.031 4.871 29 HB2 ALA 3 HB2 ALA 3 8.100 -2.670 3.835 30 HB3 ALA 3 HB3 ALA 3 7.728 -2.171 5.484 31 HN UVR 4 HN UVR 4 8.184 0.030 1.665 32 HA UVR 4 HA UVR 4 10.076 1.872 1.289 33 HB1 UVR 4 HB1 UVR 4 11.843 -0.332 0.716 34 HB2 UVR 4 HB2 UVR 4 11.400 -0.369 2.412 35 HG1 UVR 4 HG1 UVR 4 12.665 1.918 0.922 36 HG2 UVR 4 HG2 UVR 4 13.422 0.891 2.140 37 HD1 UVR 4 HD1 UVR 4 10.953 2.199 3.030 38 HD2 UVR 4 HD2 UVR 4 12.266 3.310 2.636 39 HE1 UVR 4 HE1 UVR 4 13.746 1.841 4.089 40 HE2 UVR 4 HE2 UVR 4 12.256 1.085 4.658 41 HF1 UVR 4 HF1 UVR 4 12.508 4.062 4.723 42 HF2 UVR 4 HF2 UVR 4 13.291 3.091 5.978 43 HY1 UVR 4 HY1 UVR 4 11.109 2.134 7.909 44 HY2 UVR 4 HY2 UVR 4 11.614 0.997 6.646 45 HZ1 UVR 4 HZ1 UVR 4 9.317 0.343 7.205 46 HZ2 UVR 4 HZ2 UVR 4 9.055 1.342 5.802 47 HZ3 UVR 4 HZ3 UVR 4 8.813 1.732 7.482 Start of MODEL 10 1 HM1 UVR 1 HM1 UVR 1 8.893 0.905 -3.086 2 HM2 UVR 1 HM2 UVR 1 7.295 0.762 -2.395 3 HM3 UVR 1 HM3 UVR 1 8.596 -0.405 -2.406 4 HA UVR 1 HA UVR 1 9.174 2.908 0.131 5 HB1 UVR 1 HB1 UVR 1 7.157 3.203 -2.065 6 HB2 UVR 1 HB2 UVR 1 8.880 3.201 -2.433 7 HD1 UVR 1 HD1 UVR 1 6.149 5.472 -1.359 8 HE1 UVR 1 HE1 UVR 1 7.108 7.776 -0.728 9 HE3 UVR 1 HE3 UVR 1 11.106 4.262 -1.200 10 HZ2 UVR 1 HZ2 UVR 1 9.640 8.928 -0.229 11 HZ3 UVR 1 HZ3 UVR 1 12.736 6.020 -0.638 12 HH2 UVR 1 HH2 UVR 1 12.016 8.304 -0.163 13 HA B3L 2 HQ1 B3L 2 4.896 -0.742 2.100 14 HAA B3L 2 HQ2 B3L 2 4.083 0.646 2.804 15 HB B3L 2 HA B3L 2 4.575 2.014 1.037 16 HN B3L 2 HN B3L 2 6.571 0.668 -0.533 17 HG B3L 2 HB1 B3L 2 3.323 -0.038 1.025 18 HGA B3L 2 HB2 B3L 2 4.685 -0.872 0.290 19 HD B3L 2 HG B3L 2 4.478 0.612 -1.685 20 H3E2 B3L 2 HD13 B3L 2 1.958 -0.877 -0.964 21 H2E2 B3L 2 HD11 B3L 2 3.422 -1.597 -1.635 22 H1E2 B3L 2 HD12 B3L 2 2.487 -0.445 -2.590 23 H3E1 B3L 2 HD22 B3L 2 3.477 2.571 -0.916 24 H2E1 B3L 2 HD23 B3L 2 2.193 1.699 -0.080 25 H1E1 B3L 2 HD21 B3L 2 2.196 1.788 -1.842 26 H ALA 3 HN ALA 3 6.978 -1.063 2.365 27 HA ALA 3 HA ALA 3 7.789 0.029 4.936 28 HB1 ALA 3 HB1 ALA 3 8.796 -2.580 3.828 29 HB2 ALA 3 HB2 ALA 3 7.335 -2.492 4.810 30 HB3 ALA 3 HB3 ALA 3 8.884 -1.986 5.486 31 HN UVR 4 HN UVR 4 8.116 0.339 1.756 32 HA UVR 4 HA UVR 4 10.104 1.926 1.235 33 HB1 UVR 4 HB1 UVR 4 11.395 -0.774 1.693 34 HB2 UVR 4 HB2 UVR 4 11.748 0.726 2.539 35 HG1 UVR 4 HG1 UVR 4 13.020 1.555 0.851 36 HG2 UVR 4 HG2 UVR 4 12.133 0.686 -0.401 37 HD1 UVR 4 HD1 UVR 4 13.734 -0.870 1.573 38 HD2 UVR 4 HD2 UVR 4 14.569 -0.032 0.265 39 HE1 UVR 4 HE1 UVR 4 13.833 -1.473 -1.293 40 HE2 UVR 4 HE2 UVR 4 12.216 -1.554 -0.590 41 HF1 UVR 4 HF1 UVR 4 13.482 -2.913 1.292 42 HF2 UVR 4 HF2 UVR 4 14.621 -3.218 -0.028 43 HY1 UVR 4 HY1 UVR 4 10.661 -4.717 -0.502 44 HY2 UVR 4 HY2 UVR 4 10.850 -2.990 -0.849 45 HZ1 UVR 4 HZ1 UVR 4 10.061 -2.719 1.356 46 HZ2 UVR 4 HZ2 UVR 4 11.615 -3.285 1.904 47 HZ3 UVR 4 HZ3 UVR 4 10.134 -4.180 1.701 Start of MODEL 11 1 HM1 UVR 1 HM1 UVR 1 8.956 0.559 -3.041 2 HM2 UVR 1 HM2 UVR 1 7.324 0.709 -2.436 3 HM3 UVR 1 HM3 UVR 1 8.460 -0.601 -2.219 4 HA UVR 1 HA UVR 1 9.172 2.935 -0.031 5 HB1 UVR 1 HB1 UVR 1 7.076 3.017 -2.171 6 HB2 UVR 1 HB2 UVR 1 8.785 3.012 -2.599 7 HD1 UVR 1 HD1 UVR 1 6.048 5.317 -1.614 8 HE1 UVR 1 HE1 UVR 1 6.983 7.685 -1.226 9 HE3 UVR 1 HE3 UVR 1 11.031 4.213 -1.545 10 HZ2 UVR 1 HZ2 UVR 1 9.507 8.921 -0.929 11 HZ3 UVR 1 HZ3 UVR 1 12.646 6.043 -1.205 12 HH2 UVR 1 HH2 UVR 1 11.896 8.347 -0.904 13 HA B3L 2 HQ1 B3L 2 4.875 -0.693 2.124 14 HAA B3L 2 HQ2 B3L 2 4.104 0.704 2.857 15 HB B3L 2 HA B3L 2 4.645 2.104 1.109 16 HN B3L 2 HN B3L 2 6.548 0.653 -0.502 17 HG B3L 2 HB1 B3L 2 3.382 0.810 -0.123 18 HGA B3L 2 HB2 B3L 2 3.569 -0.293 1.218 19 HD B3L 2 HG B3L 2 5.078 -0.345 -1.396 20 H3E2 B3L 2 HD13 B3L 2 6.523 -1.031 0.459 21 H2E2 B3L 2 HD11 B3L 2 6.129 -2.383 -0.601 22 H1E2 B3L 2 HD12 B3L 2 5.316 -2.216 0.955 23 H3E1 B3L 2 HD22 B3L 2 3.393 -2.574 -0.376 24 H2E1 B3L 2 HD23 B3L 2 3.762 -2.102 -2.035 25 H1E1 B3L 2 HD21 B3L 2 2.600 -1.170 -1.090 26 H ALA 3 HN ALA 3 6.967 -1.063 2.354 27 HA ALA 3 HA ALA 3 7.810 -0.051 4.946 28 HB1 ALA 3 HB1 ALA 3 8.933 -2.577 3.814 29 HB2 ALA 3 HB2 ALA 3 7.348 -2.611 4.588 30 HB3 ALA 3 HB3 ALA 3 8.764 -2.084 5.498 31 HN UVR 4 HN UVR 4 8.086 0.431 1.810 32 HA UVR 4 HA UVR 4 10.007 1.996 1.210 33 HB1 UVR 4 HB1 UVR 4 11.447 -0.603 1.780 34 HB2 UVR 4 HB2 UVR 4 11.701 0.944 2.576 35 HG1 UVR 4 HG1 UVR 4 12.222 0.477 -0.348 36 HG2 UVR 4 HG2 UVR 4 13.448 0.314 0.911 37 HD1 UVR 4 HD1 UVR 4 11.847 2.824 0.436 38 HD2 UVR 4 HD2 UVR 4 13.445 2.528 -0.251 39 HE1 UVR 4 HE1 UVR 4 14.476 3.026 1.668 40 HE2 UVR 4 HE2 UVR 4 13.357 2.047 2.617 41 HF1 UVR 4 HF1 UVR 4 12.756 4.821 1.591 42 HF2 UVR 4 HF2 UVR 4 13.307 4.449 3.230 43 HY1 UVR 4 HY1 UVR 4 11.791 3.487 4.839 44 HY2 UVR 4 HY2 UVR 4 11.035 2.091 4.052 45 HZ1 UVR 4 HZ1 UVR 4 9.351 3.212 5.548 46 HZ2 UVR 4 HZ2 UVR 4 8.866 3.592 3.920 47 HZ3 UVR 4 HZ3 UVR 4 9.667 4.608 5.086 Start of MODEL 12 1 HM1 UVR 1 HM1 UVR 1 8.894 -0.236 -2.596 2 HM2 UVR 1 HM2 UVR 1 8.236 1.323 -3.026 3 HM3 UVR 1 HM3 UVR 1 7.483 0.017 -2.141 4 HA UVR 1 HA UVR 1 9.174 2.913 0.119 5 HB1 UVR 1 HB1 UVR 1 7.292 3.006 -2.242 6 HB2 UVR 1 HB2 UVR 1 9.004 3.414 -2.310 7 HD1 UVR 1 HD1 UVR 1 5.667 4.903 -1.573 8 HE1 UVR 1 HE1 UVR 1 5.947 7.331 -0.766 9 HE3 UVR 1 HE3 UVR 1 10.720 4.926 -0.806 10 HZ2 UVR 1 HZ2 UVR 1 8.034 9.032 0.083 11 HZ3 UVR 1 HZ3 UVR 1 11.782 6.994 0.005 12 HH2 UVR 1 HH2 UVR 1 10.465 9.004 0.439 13 HA B3L 2 HQ1 B3L 2 4.893 -0.739 2.102 14 HAA B3L 2 HQ2 B3L 2 4.083 0.650 2.807 15 HB B3L 2 HA B3L 2 4.579 2.020 1.042 16 HN B3L 2 HN B3L 2 6.567 0.670 -0.536 17 HG B3L 2 HB1 B3L 2 3.322 -0.031 1.033 18 HGA B3L 2 HB2 B3L 2 4.679 -0.864 0.286 19 HD B3L 2 HG B3L 2 4.455 0.491 -1.714 20 H3E2 B3L 2 HD13 B3L 2 2.627 -0.597 -2.582 21 H2E2 B3L 2 HD11 B3L 2 1.659 -0.362 -1.125 22 H1E2 B3L 2 HD12 B3L 2 2.947 -1.566 -1.143 23 H3E1 B3L 2 HD22 B3L 2 2.271 1.911 -1.792 24 H2E1 B3L 2 HD23 B3L 2 3.738 2.590 -1.091 25 H1E1 B3L 2 HD21 B3L 2 2.468 1.964 -0.041 26 H ALA 3 HN ALA 3 6.976 -1.065 2.367 27 HA ALA 3 HA ALA 3 7.789 0.022 4.938 28 HB1 ALA 3 HB1 ALA 3 7.755 -2.181 5.513 29 HB2 ALA 3 HB2 ALA 3 9.343 -2.163 4.746 30 HB3 ALA 3 HB3 ALA 3 7.934 -2.724 3.845 31 HN UVR 4 HN UVR 4 8.112 0.334 1.754 32 HA UVR 4 HA UVR 4 10.094 1.930 1.236 33 HB1 UVR 4 HB1 UVR 4 11.380 -0.755 1.763 34 HB2 UVR 4 HB2 UVR 4 11.767 0.787 2.514 35 HG1 UVR 4 HG1 UVR 4 12.215 0.141 -0.391 36 HG2 UVR 4 HG2 UVR 4 13.446 0.055 0.869 37 HD1 UVR 4 HD1 UVR 4 12.551 2.552 1.285 38 HD2 UVR 4 HD2 UVR 4 12.234 2.407 -0.445 39 HE1 UVR 4 HE1 UVR 4 14.884 1.519 0.565 40 HE2 UVR 4 HE2 UVR 4 14.568 3.253 0.483 41 HF1 UVR 4 HF1 UVR 4 13.818 1.686 -1.907 42 HF2 UVR 4 HF2 UVR 4 15.551 1.831 -1.580 43 HY1 UVR 4 HY1 UVR 4 16.262 4.219 -0.794 44 HY2 UVR 4 HY2 UVR 4 15.018 5.476 -0.899 45 HZ1 UVR 4 HZ1 UVR 4 15.667 5.670 -3.419 46 HZ2 UVR 4 HZ2 UVR 4 17.106 4.770 -3.027 47 HZ3 UVR 4 HZ3 UVR 4 16.610 6.342 -2.461 Start of MODEL 13 1 HM1 UVR 1 HM1 UVR 1 7.658 -0.951 -0.682 2 HM2 UVR 1 HM2 UVR 1 9.136 -1.385 -1.504 3 HM3 UVR 1 HM3 UVR 1 7.784 -0.437 -2.087 4 HA UVR 1 HA UVR 1 8.583 2.593 -0.157 5 HB1 UVR 1 HB1 UVR 1 7.250 2.452 -2.660 6 HB2 UVR 1 HB2 UVR 1 8.874 1.799 -2.883 7 HD1 UVR 1 HD1 UVR 1 10.559 3.635 -3.557 8 HE1 UVR 1 HE1 UVR 1 10.785 6.167 -3.119 9 HE3 UVR 1 HE3 UVR 1 6.479 4.270 -0.614 10 HZ2 UVR 1 HZ2 UVR 1 9.384 8.180 -1.689 11 HZ3 UVR 1 HZ3 UVR 1 5.966 6.524 0.265 12 HH2 UVR 1 HH2 UVR 1 7.394 8.436 -0.266 13 HA B3L 2 HQ1 B3L 2 4.848 -0.415 1.869 14 HAA B3L 2 HQ2 B3L 2 4.070 0.697 2.985 15 HB B3L 2 HA B3L 2 4.642 2.564 1.755 16 HN B3L 2 HN B3L 2 6.964 2.699 1.090 17 HG B3L 2 HB1 B3L 2 3.217 0.772 1.128 18 HGA B3L 2 HB2 B3L 2 4.505 0.013 0.204 19 HD B3L 2 HG B3L 2 4.479 2.308 -1.097 20 H3E2 B3L 2 HD13 B3L 2 2.149 0.628 -1.779 21 H2E2 B3L 2 HD11 B3L 2 3.707 -0.190 -1.669 22 H1E2 B3L 2 HD12 B3L 2 3.498 1.164 -2.780 23 H3E1 B3L 2 HD22 B3L 2 1.842 2.759 -1.220 24 H2E1 B3L 2 HD23 B3L 2 2.927 3.662 -0.162 25 H1E1 B3L 2 HD21 B3L 2 1.982 2.319 0.482 26 H ALA 3 HN ALA 3 7.014 -0.745 1.973 27 HA ALA 3 HA ALA 3 7.908 -0.405 4.707 28 HB1 ALA 3 HB1 ALA 3 7.816 -2.880 3.097 29 HB2 ALA 3 HB2 ALA 3 7.781 -2.669 4.848 30 HB3 ALA 3 HB3 ALA 3 9.315 -2.591 3.982 31 HN UVR 4 HN UVR 4 8.146 1.249 2.395 32 HA UVR 4 HA UVR 4 9.658 2.402 1.115 33 HB1 UVR 4 HB1 UVR 4 12.013 2.138 1.357 34 HB2 UVR 4 HB2 UVR 4 11.829 0.551 2.092 35 HG1 UVR 4 HG1 UVR 4 10.553 1.826 3.948 36 HG2 UVR 4 HG2 UVR 4 11.358 3.249 3.284 37 HD1 UVR 4 HD1 UVR 4 13.153 2.735 4.489 38 HD2 UVR 4 HD2 UVR 4 13.345 1.281 3.509 39 HE1 UVR 4 HE1 UVR 4 11.334 1.096 5.649 40 HE2 UVR 4 HE2 UVR 4 13.004 1.270 6.194 41 HF1 UVR 4 HF1 UVR 4 13.674 -0.720 5.184 42 HF2 UVR 4 HF2 UVR 4 12.284 -0.741 4.089 43 HY1 UVR 4 HY1 UVR 4 11.830 -3.057 7.372 44 HY2 UVR 4 HY2 UVR 4 13.449 -2.438 7.009 45 HZ1 UVR 4 HZ1 UVR 4 11.725 -3.742 4.843 46 HZ2 UVR 4 HZ2 UVR 4 12.924 -4.637 5.734 47 HZ3 UVR 4 HZ3 UVR 4 13.150 -3.317 4.620 Start of MODEL 14 1 HM1 UVR 1 HM1 UVR 1 8.050 -0.727 -1.894 2 HM2 UVR 1 HM2 UVR 1 8.850 0.342 -3.020 3 HM3 UVR 1 HM3 UVR 1 7.270 0.495 -2.293 4 HA UVR 1 HA UVR 1 9.157 2.946 -0.190 5 HB1 UVR 1 HB1 UVR 1 6.980 2.874 -2.234 6 HB2 UVR 1 HB2 UVR 1 8.654 2.737 -2.763 7 HD1 UVR 1 HD1 UVR 1 6.100 5.277 -1.916 8 HE1 UVR 1 HE1 UVR 1 7.172 7.617 -1.817 9 HE3 UVR 1 HE3 UVR 1 11.015 3.907 -1.910 10 HZ2 UVR 1 HZ2 UVR 1 9.766 8.731 -1.746 11 HZ3 UVR 1 HZ3 UVR 1 12.735 5.668 -1.824 12 HH2 UVR 1 HH2 UVR 1 12.121 8.030 -1.745 13 HA B3L 2 HQ1 B3L 2 4.831 -0.628 2.168 14 HAA B3L 2 HQ2 B3L 2 4.131 0.796 2.920 15 HB B3L 2 HA B3L 2 4.699 2.181 1.164 16 HN B3L 2 HN B3L 2 6.536 0.616 -0.440 17 HG B3L 2 HB1 B3L 2 3.538 0.871 -0.275 18 HGA B3L 2 HB2 B3L 2 3.358 0.063 1.265 19 HD B3L 2 HG B3L 2 5.636 -1.061 0.034 20 H3E2 B3L 2 HD13 B3L 2 2.931 -1.905 0.852 21 H2E2 B3L 2 HD11 B3L 2 4.507 -2.571 1.273 22 H1E2 B3L 2 HD12 B3L 2 3.775 -2.958 -0.283 23 H3E1 B3L 2 HD22 B3L 2 5.064 -1.631 -2.132 24 H2E1 B3L 2 HD23 B3L 2 4.514 0.043 -2.031 25 H1E1 B3L 2 HD21 B3L 2 3.353 -1.278 -1.883 26 H ALA 3 HN ALA 3 6.949 -1.046 2.332 27 HA ALA 3 HA ALA 3 7.839 -0.111 4.936 28 HB1 ALA 3 HB1 ALA 3 8.564 -2.728 3.617 29 HB2 ALA 3 HB2 ALA 3 7.339 -2.548 4.873 30 HB3 ALA 3 HB3 ALA 3 9.030 -2.196 5.233 31 HN UVR 4 HN UVR 4 8.067 0.575 1.899 32 HA UVR 4 HA UVR 4 9.916 2.072 1.176 33 HB1 UVR 4 HB1 UVR 4 12.110 0.809 0.832 34 HB2 UVR 4 HB2 UVR 4 11.491 -0.379 1.968 35 HG1 UVR 4 HG1 UVR 4 12.802 1.014 3.284 36 HG2 UVR 4 HG2 UVR 4 11.166 1.618 3.558 37 HD1 UVR 4 HD1 UVR 4 11.627 3.291 1.707 38 HD2 UVR 4 HD2 UVR 4 13.320 2.808 1.832 39 HE1 UVR 4 HE1 UVR 4 13.504 3.605 4.031 40 HE2 UVR 4 HE2 UVR 4 11.753 3.695 4.232 41 HF1 UVR 4 HF1 UVR 4 11.603 5.574 2.769 42 HF2 UVR 4 HF2 UVR 4 13.293 5.397 2.277 43 HY1 UVR 4 HY1 UVR 4 11.944 5.012 5.690 44 HY2 UVR 4 HY2 UVR 4 11.556 6.741 5.700 45 HZ1 UVR 4 HZ1 UVR 4 13.143 5.750 7.638 46 HZ2 UVR 4 HZ2 UVR 4 13.670 7.238 6.901 47 HZ3 UVR 4 HZ3 UVR 4 14.255 5.618 6.636 Start of MODEL 15 1 HM1 UVR 1 HM1 UVR 1 9.038 0.655 -3.028 2 HM2 UVR 1 HM2 UVR 1 7.424 1.125 -2.561 3 HM3 UVR 1 HM3 UVR 1 8.257 -0.386 -2.273 4 HA UVR 1 HA UVR 1 9.172 2.907 0.191 5 HB1 UVR 1 HB1 UVR 1 8.061 4.465 -1.203 6 HB2 UVR 1 HB2 UVR 1 7.240 3.191 -2.102 7 HD1 UVR 1 HD1 UVR 1 8.342 2.524 -4.333 8 HE1 UVR 1 HE1 UVR 1 10.638 2.919 -5.431 9 HE3 UVR 1 HE3 UVR 1 10.709 4.786 -0.428 10 HZ2 UVR 1 HZ2 UVR 1 13.134 4.049 -4.723 11 HZ3 UVR 1 HZ3 UVR 1 13.052 5.499 -0.709 12 HH2 UVR 1 HH2 UVR 1 14.237 5.137 -2.814 13 HA B3L 2 HQ1 B3L 2 4.904 -0.766 2.099 14 HAA B3L 2 HQ2 B3L 2 4.071 0.621 2.782 15 HB B3L 2 HA B3L 2 4.555 1.971 1.006 16 HN B3L 2 HN B3L 2 6.586 0.670 -0.548 17 HG B3L 2 HB1 B3L 2 3.345 -0.105 0.987 18 HGA B3L 2 HB2 B3L 2 4.734 -0.917 0.281 19 HD B3L 2 HG B3L 2 4.477 0.845 -1.618 20 H3E2 B3L 2 HD13 B3L 2 3.507 -0.784 -2.855 21 H2E2 B3L 2 HD11 B3L 2 2.230 -1.076 -1.674 22 H1E2 B3L 2 HD12 B3L 2 3.843 -1.740 -1.412 23 H3E1 B3L 2 HD22 B3L 2 1.588 0.774 -1.027 24 H2E1 B3L 2 HD23 B3L 2 2.562 2.029 -1.794 25 H1E1 B3L 2 HD21 B3L 2 2.556 1.865 -0.037 26 H ALA 3 HN ALA 3 6.970 -1.079 2.394 27 HA ALA 3 HA ALA 3 7.773 0.052 4.948 28 HB1 ALA 3 HB1 ALA 3 9.158 -2.386 4.067 29 HB2 ALA 3 HB2 ALA 3 7.447 -2.603 4.433 30 HB3 ALA 3 HB3 ALA 3 8.535 -1.953 5.659 31 HN UVR 4 HN UVR 4 8.148 0.148 1.688 32 HA UVR 4 HA UVR 4 10.094 1.889 1.275 33 HB1 UVR 4 HB1 UVR 4 11.797 0.746 2.469 34 HB2 UVR 4 HB2 UVR 4 12.154 0.483 0.769 35 HG1 UVR 4 HG1 UVR 4 10.718 -1.700 1.175 36 HG2 UVR 4 HG2 UVR 4 11.253 -1.439 2.837 37 HD1 UVR 4 HD1 UVR 4 12.803 -2.904 1.685 38 HD2 UVR 4 HD2 UVR 4 13.584 -1.367 2.059 39 HE1 UVR 4 HE1 UVR 4 12.269 -1.407 -0.551 40 HE2 UVR 4 HE2 UVR 4 13.571 -2.588 -0.396 41 HF1 UVR 4 HF1 UVR 4 14.197 0.087 0.656 42 HF2 UVR 4 HF2 UVR 4 13.936 0.013 -1.092 43 HY1 UVR 4 HY1 UVR 4 17.081 -2.471 0.356 44 HY2 UVR 4 HY2 UVR 4 15.425 -2.958 0.757 45 HZ1 UVR 4 HZ1 UVR 4 17.189 -1.515 2.480 46 HZ2 UVR 4 HZ2 UVR 4 15.468 -1.616 2.729 47 HZ3 UVR 4 HZ3 UVR 4 16.387 -0.357 1.951 Start of MODEL 16 1 HM1 UVR 1 HM1 UVR 1 9.103 0.832 -3.033 2 HM2 UVR 1 HM2 UVR 1 7.480 1.305 -2.596 3 HM3 UVR 1 HM3 UVR 1 8.271 -0.240 -2.384 4 HA UVR 1 HA UVR 1 9.175 2.864 0.319 5 HB1 UVR 1 HB1 UVR 1 8.118 4.525 -1.011 6 HB2 UVR 1 HB2 UVR 1 7.333 3.317 -2.024 7 HD1 UVR 1 HD1 UVR 1 8.529 2.793 -4.243 8 HE1 UVR 1 HE1 UVR 1 10.879 3.231 -5.203 9 HE3 UVR 1 HE3 UVR 1 10.732 4.752 -0.089 10 HZ2 UVR 1 HZ2 UVR 1 13.350 4.276 -4.304 11 HZ3 UVR 1 HZ3 UVR 1 13.093 5.451 -0.208 12 HH2 UVR 1 HH2 UVR 1 14.373 5.216 -2.276 13 HA B3L 2 HQ1 B3L 2 4.918 -0.799 2.074 14 HAA B3L 2 HQ2 B3L 2 4.050 0.574 2.738 15 HB B3L 2 HA B3L 2 4.526 1.916 0.959 16 HN B3L 2 HN B3L 2 6.611 0.685 -0.563 17 HG B3L 2 HB1 B3L 2 3.721 0.422 -0.557 18 HGA B3L 2 HB2 B3L 2 3.493 -0.359 0.992 19 HD B3L 2 HG B3L 2 6.025 -1.175 0.024 20 H3E2 B3L 2 HD13 B3L 2 3.362 -2.470 0.446 21 H2E2 B3L 2 HD11 B3L 2 4.857 -2.660 1.365 22 H1E2 B3L 2 HD12 B3L 2 4.708 -3.383 -0.237 23 H3E1 B3L 2 HD22 B3L 2 5.635 -0.670 -2.201 24 H2E1 B3L 2 HD23 B3L 2 3.914 -1.039 -2.089 25 H1E1 B3L 2 HD21 B3L 2 5.097 -2.346 -2.093 26 H ALA 3 HN ALA 3 6.997 -1.061 2.384 27 HA ALA 3 HA ALA 3 7.765 0.132 4.921 28 HB1 ALA 3 HB1 ALA 3 8.692 -2.543 3.880 29 HB2 ALA 3 HB2 ALA 3 7.374 -2.340 5.034 30 HB3 ALA 3 HB3 ALA 3 9.011 -1.848 5.469 31 HN UVR 4 HN UVR 4 8.157 0.172 1.680 32 HA UVR 4 HA UVR 4 10.208 1.824 1.272 33 HB1 UVR 4 HB1 UVR 4 11.907 -0.279 0.607 34 HB2 UVR 4 HB2 UVR 4 11.274 -0.738 2.180 35 HG1 UVR 4 HG1 UVR 4 12.258 1.038 3.249 36 HG2 UVR 4 HG2 UVR 4 12.305 2.029 1.789 37 HD1 UVR 4 HD1 UVR 4 13.924 0.055 1.005 38 HD2 UVR 4 HD2 UVR 4 14.197 -0.040 2.745 39 HE1 UVR 4 HE1 UVR 4 15.793 1.496 2.212 40 HE2 UVR 4 HE2 UVR 4 14.431 2.586 2.479 41 HF1 UVR 4 HF1 UVR 4 14.189 3.054 0.250 42 HF2 UVR 4 HF2 UVR 4 14.821 1.480 -0.257 43 HY1 UVR 4 HY1 UVR 4 16.018 4.427 1.722 44 HY2 UVR 4 HY2 UVR 4 17.484 4.633 0.746 45 HZ1 UVR 4 HZ1 UVR 4 17.067 2.748 3.102 46 HZ2 UVR 4 HZ2 UVR 4 18.471 3.717 2.749 47 HZ3 UVR 4 HZ3 UVR 4 17.982 2.203 2.040 Start of MODEL 17 1 HM1 UVR 1 HM1 UVR 1 8.116 -0.361 -2.235 2 HM2 UVR 1 HM2 UVR 1 8.913 0.924 -3.109 3 HM3 UVR 1 HM3 UVR 1 7.316 0.903 -2.401 4 HA UVR 1 HA UVR 1 9.175 2.909 0.182 5 HB1 UVR 1 HB1 UVR 1 7.252 3.145 -2.127 6 HB2 UVR 1 HB2 UVR 1 8.986 3.409 -2.287 7 HD1 UVR 1 HD1 UVR 1 5.837 5.169 -1.369 8 HE1 UVR 1 HE1 UVR 1 6.367 7.548 -0.539 9 HE3 UVR 1 HE3 UVR 1 10.900 4.728 -0.829 10 HZ2 UVR 1 HZ2 UVR 1 8.635 9.040 0.242 11 HZ3 UVR 1 HZ3 UVR 1 12.177 6.678 -0.036 12 HH2 UVR 1 HH2 UVR 1 11.066 8.788 0.487 13 HA B3L 2 HQ1 B3L 2 4.901 -0.762 2.097 14 HAA B3L 2 HQ2 B3L 2 4.071 0.624 2.784 15 HB B3L 2 HA B3L 2 4.556 1.978 1.010 16 HN B3L 2 HN B3L 2 6.579 0.677 -0.552 17 HG B3L 2 HB1 B3L 2 3.342 -0.097 0.991 18 HGA B3L 2 HB2 B3L 2 4.729 -0.909 0.277 19 HD B3L 2 HG B3L 2 4.511 0.675 -1.677 20 H3E2 B3L 2 HD13 B3L 2 2.648 -1.491 -0.925 21 H2E2 B3L 2 HD11 B3L 2 3.752 -1.364 -2.295 22 H1E2 B3L 2 HD12 B3L 2 2.207 -0.513 -2.325 23 H3E1 B3L 2 HD22 B3L 2 2.829 2.170 -1.855 24 H2E1 B3L 2 HD23 B3L 2 2.890 2.118 -0.093 25 H1E1 B3L 2 HD21 B3L 2 1.691 1.160 -0.963 26 H ALA 3 HN ALA 3 6.973 -1.074 2.385 27 HA ALA 3 HA ALA 3 7.775 0.053 4.942 28 HB1 ALA 3 HB1 ALA 3 7.889 -2.101 5.596 29 HB2 ALA 3 HB2 ALA 3 9.367 -2.155 4.634 30 HB3 ALA 3 HB3 ALA 3 7.840 -2.698 3.938 31 HN UVR 4 HN UVR 4 8.135 0.209 1.703 32 HA UVR 4 HA UVR 4 10.112 1.893 1.263 33 HB1 UVR 4 HB1 UVR 4 12.003 0.017 0.666 34 HB2 UVR 4 HB2 UVR 4 11.312 -0.662 2.132 35 HG1 UVR 4 HG1 UVR 4 12.587 0.698 3.320 36 HG2 UVR 4 HG2 UVR 4 11.710 2.072 2.644 37 HD1 UVR 4 HD1 UVR 4 13.935 0.800 1.100 38 HD2 UVR 4 HD2 UVR 4 14.291 1.956 2.386 39 HE1 UVR 4 HE1 UVR 4 14.165 3.368 0.584 40 HE2 UVR 4 HE2 UVR 4 12.491 3.409 1.141 41 HF1 UVR 4 HF1 UVR 4 12.529 3.125 -1.261 42 HF2 UVR 4 HF2 UVR 4 11.941 1.637 -0.506 43 HY1 UVR 4 HY1 UVR 4 14.016 0.059 -2.864 44 HY2 UVR 4 HY2 UVR 4 12.595 -0.086 -1.814 45 HZ1 UVR 4 HZ1 UVR 4 14.310 -1.920 -1.339 46 HZ2 UVR 4 HZ2 UVR 4 14.220 -0.882 0.057 47 HZ3 UVR 4 HZ3 UVR 4 15.455 -0.960 -1.169 Start of MODEL 18 1 HM1 UVR 1 HM1 UVR 1 8.928 -0.142 -2.654 2 HM2 UVR 1 HM2 UVR 1 8.154 1.384 -2.996 3 HM3 UVR 1 HM3 UVR 1 7.523 -0.001 -2.137 4 HA UVR 1 HA UVR 1 9.175 2.912 0.159 5 HB1 UVR 1 HB1 UVR 1 7.291 3.077 -2.195 6 HB2 UVR 1 HB2 UVR 1 9.011 3.452 -2.272 7 HD1 UVR 1 HD1 UVR 1 5.713 4.993 -1.475 8 HE1 UVR 1 HE1 UVR 1 6.050 7.399 -0.620 9 HE3 UVR 1 HE3 UVR 1 10.771 4.895 -0.748 10 HZ2 UVR 1 HZ2 UVR 1 8.179 9.037 0.248 11 HZ3 UVR 1 HZ3 UVR 1 11.883 6.922 0.096 12 HH2 UVR 1 HH2 UVR 1 10.611 8.950 0.583 13 HA B3L 2 HQ1 B3L 2 4.914 -0.760 2.093 14 HAA B3L 2 HQ2 B3L 2 4.073 0.616 2.788 15 HB B3L 2 HA B3L 2 4.579 2.001 1.030 16 HN B3L 2 HN B3L 2 6.576 0.675 -0.548 17 HG B3L 2 HB1 B3L 2 3.434 0.627 -0.233 18 HGA B3L 2 HB2 B3L 2 3.631 -0.446 1.131 19 HD B3L 2 HG B3L 2 5.218 -0.454 -1.435 20 H3E2 B3L 2 HD13 B3L 2 5.521 -2.253 0.964 21 H2E2 B3L 2 HD11 B3L 2 6.660 -1.002 0.467 22 H1E2 B3L 2 HD12 B3L 2 6.381 -2.401 -0.568 23 H3E1 B3L 2 HD22 B3L 2 4.230 -2.826 -1.469 24 H2E1 B3L 2 HD23 B3L 2 3.174 -1.474 -1.879 25 H1E1 B3L 2 HD21 B3L 2 3.085 -2.210 -0.278 26 H ALA 3 HN ALA 3 6.973 -1.077 2.387 27 HA ALA 3 HA ALA 3 7.779 0.041 4.946 28 HB1 ALA 3 HB1 ALA 3 8.988 -1.959 5.434 29 HB2 ALA 3 HB2 ALA 3 8.742 -2.576 3.800 30 HB3 ALA 3 HB3 ALA 3 7.379 -2.454 4.912 31 HN UVR 4 HN UVR 4 8.130 0.220 1.712 32 HA UVR 4 HA UVR 4 10.094 1.905 1.258 33 HB1 UVR 4 HB1 UVR 4 11.792 0.770 2.473 34 HB2 UVR 4 HB2 UVR 4 12.152 0.497 0.776 35 HG1 UVR 4 HG1 UVR 4 10.450 -1.579 1.867 36 HG2 UVR 4 HG2 UVR 4 11.967 -1.423 2.753 37 HD1 UVR 4 HD1 UVR 4 12.808 -1.265 0.157 38 HD2 UVR 4 HD2 UVR 4 11.467 -2.407 0.043 39 HE1 UVR 4 HE1 UVR 4 13.675 -2.668 2.071 40 HE2 UVR 4 HE2 UVR 4 13.739 -3.420 0.476 41 HF1 UVR 4 HF1 UVR 4 11.868 -4.794 0.942 42 HF2 UVR 4 HF2 UVR 4 11.455 -3.862 2.388 43 HY1 UVR 4 HY1 UVR 4 14.085 -5.270 4.511 44 HY2 UVR 4 HY2 UVR 4 13.593 -3.635 4.037 45 HZ1 UVR 4 HZ1 UVR 4 16.158 -5.037 3.436 46 HZ2 UVR 4 HZ2 UVR 4 15.825 -3.332 3.304 47 HZ3 UVR 4 HZ3 UVR 4 15.571 -4.590 2.126 Start of MODEL 19 1 HM1 UVR 1 HM1 UVR 1 7.772 1.475 -2.770 2 HM2 UVR 1 HM2 UVR 1 7.829 -0.187 -2.235 3 HM3 UVR 1 HM3 UVR 1 9.065 0.752 -3.035 4 HA UVR 1 HA UVR 1 9.170 2.880 0.269 5 HB1 UVR 1 HB1 UVR 1 8.093 4.503 -1.093 6 HB2 UVR 1 HB2 UVR 1 7.321 3.265 -2.080 7 HD1 UVR 1 HD1 UVR 1 8.552 2.623 -4.256 8 HE1 UVR 1 HE1 UVR 1 10.886 3.090 -5.238 9 HE3 UVR 1 HE3 UVR 1 10.684 4.888 -0.211 10 HZ2 UVR 1 HZ2 UVR 1 13.315 4.268 -4.400 11 HZ3 UVR 1 HZ3 UVR 1 13.018 5.658 -0.376 12 HH2 UVR 1 HH2 UVR 1 14.304 5.353 -2.429 13 HA B3L 2 HQ1 B3L 2 4.918 -0.781 2.095 14 HAA B3L 2 HQ2 B3L 2 4.068 0.603 2.763 15 HB B3L 2 HA B3L 2 4.538 1.934 0.974 16 HN B3L 2 HN B3L 2 6.607 0.672 -0.551 17 HG B3L 2 HB1 B3L 2 3.696 0.442 -0.515 18 HGA B3L 2 HB2 B3L 2 3.505 -0.350 1.034 19 HD B3L 2 HG B3L 2 6.016 -1.153 0.014 20 H3E2 B3L 2 HD13 B3L 2 4.673 -3.356 -0.270 21 H2E2 B3L 2 HD11 B3L 2 3.364 -2.444 0.483 22 H1E2 B3L 2 HD12 B3L 2 4.889 -2.669 1.340 23 H3E1 B3L 2 HD22 B3L 2 5.790 -1.681 -2.175 24 H2E1 B3L 2 HD23 B3L 2 4.696 -0.297 -2.149 25 H1E1 B3L 2 HD21 B3L 2 4.049 -1.935 -2.047 26 H ALA 3 HN ALA 3 6.982 -1.074 2.395 27 HA ALA 3 HA ALA 3 7.775 0.094 4.936 28 HB1 ALA 3 HB1 ALA 3 8.692 -2.567 3.847 29 HB2 ALA 3 HB2 ALA 3 7.376 -2.381 5.007 30 HB3 ALA 3 HB3 ALA 3 9.014 -1.899 5.448 31 HN UVR 4 HN UVR 4 8.147 0.180 1.695 32 HA UVR 4 HA UVR 4 10.153 1.857 1.271 33 HB1 UVR 4 HB1 UVR 4 11.966 -0.111 0.632 34 HB2 UVR 4 HB2 UVR 4 11.295 -0.708 2.143 35 HG1 UVR 4 HG1 UVR 4 11.790 1.580 3.109 36 HG2 UVR 4 HG2 UVR 4 12.724 1.884 1.644 37 HD1 UVR 4 HD1 UVR 4 14.458 0.774 2.475 38 HD2 UVR 4 HD2 UVR 4 13.463 -0.665 2.703 39 HE1 UVR 4 HE1 UVR 4 13.212 1.548 4.676 40 HE2 UVR 4 HE2 UVR 4 14.653 0.531 4.737 41 HF1 UVR 4 HF1 UVR 4 12.623 -1.309 4.483 42 HF2 UVR 4 HF2 UVR 4 11.903 -0.069 5.519 43 HY1 UVR 4 HY1 UVR 4 12.507 -2.563 7.264 44 HY2 UVR 4 HY2 UVR 4 14.261 -2.703 7.469 45 HZ1 UVR 4 HZ1 UVR 4 14.354 -3.230 4.919 46 HZ2 UVR 4 HZ2 UVR 4 12.632 -3.479 4.994 47 HZ3 UVR 4 HZ3 UVR 4 13.900 -4.369 5.789 Start of MODEL 20 1 HM1 UVR 1 HM1 UVR 1 8.018 -0.402 -2.356 2 HM2 UVR 1 HM2 UVR 1 7.188 -0.603 -0.838 3 HM3 UVR 1 HM3 UVR 1 8.681 -1.352 -1.395 4 HA UVR 1 HA UVR 1 8.612 2.574 0.095 5 HB1 UVR 1 HB1 UVR 1 8.904 2.070 -2.794 6 HB2 UVR 1 HB2 UVR 1 9.345 3.478 -1.832 7 HD1 UVR 1 HD1 UVR 1 7.289 2.894 -4.663 8 HE1 UVR 1 HE1 UVR 1 5.295 4.533 -4.755 9 HE3 UVR 1 HE3 UVR 1 7.421 4.490 0.123 10 HZ2 UVR 1 HZ2 UVR 1 3.952 6.298 -2.971 11 HZ3 UVR 1 HZ3 UVR 1 5.761 6.162 0.900 12 HH2 UVR 1 HH2 UVR 1 4.062 7.042 -0.627 13 HA B3L 2 HQ1 B3L 2 5.072 -0.635 1.739 14 HAA B3L 2 HQ2 B3L 2 4.048 0.357 2.765 15 HB B3L 2 HA B3L 2 4.412 2.257 1.533 16 HN B3L 2 HN B3L 2 6.907 2.548 1.238 17 HG B3L 2 HB1 B3L 2 3.561 0.021 0.875 18 HGA B3L 2 HB2 B3L 2 4.987 -0.166 -0.123 19 HD B3L 2 HG B3L 2 2.505 1.196 -0.664 20 H3E2 B3L 2 HD13 B3L 2 4.170 3.137 -0.116 21 H2E2 B3L 2 HD11 B3L 2 3.114 3.222 -1.521 22 H1E2 B3L 2 HD12 B3L 2 4.800 2.758 -1.717 23 H3E1 B3L 2 HD22 B3L 2 4.523 -0.311 -2.018 24 H2E1 B3L 2 HD23 B3L 2 4.090 1.119 -2.954 25 H1E1 B3L 2 HD21 B3L 2 2.842 -0.027 -2.467 26 H ALA 3 HN ALA 3 7.145 -0.757 2.025 27 HA ALA 3 HA ALA 3 7.895 -0.194 4.756 28 HB1 ALA 3 HB1 ALA 3 8.930 -2.330 5.055 29 HB2 ALA 3 HB2 ALA 3 8.632 -2.771 3.373 30 HB3 ALA 3 HB3 ALA 3 7.283 -2.630 4.499 31 HN UVR 4 HN UVR 4 8.258 1.246 2.395 32 HA UVR 4 HA UVR 4 9.884 2.288 1.111 33 HB1 UVR 4 HB1 UVR 4 12.183 1.716 1.192 34 HB2 UVR 4 HB2 UVR 4 11.847 0.137 1.883 35 HG1 UVR 4 HG1 UVR 4 12.043 0.944 3.933 36 HG2 UVR 4 HG2 UVR 4 10.809 2.164 3.611 37 HD1 UVR 4 HD1 UVR 4 13.742 2.403 2.945 38 HD2 UVR 4 HD2 UVR 4 12.924 3.190 4.296 39 HE1 UVR 4 HE1 UVR 4 12.135 4.828 2.996 40 HE2 UVR 4 HE2 UVR 4 11.610 3.695 1.750 41 HF1 UVR 4 HF1 UVR 4 14.268 3.575 1.371 42 HF2 UVR 4 HF2 UVR 4 14.127 5.230 1.981 43 HY1 UVR 4 HY1 UVR 4 14.793 5.474 -0.980 44 HY2 UVR 4 HY2 UVR 4 13.415 4.936 -1.955 45 HZ1 UVR 4 HZ1 UVR 4 13.927 2.551 -0.918 46 HZ2 UVR 4 HZ2 UVR 4 15.512 3.193 -0.591 47 HZ3 UVR 4 HZ3 UVR 4 14.722 2.964 -2.126 Start of MODEL 21 1 HM1 UVR 1 HM1 UVR 1 9.099 0.503 -2.945 2 HM2 UVR 1 HM2 UVR 1 7.623 1.401 -2.695 3 HM3 UVR 1 HM3 UVR 1 7.995 -0.250 -2.252 4 HA UVR 1 HA UVR 1 9.172 2.857 0.298 5 HB1 UVR 1 HB1 UVR 1 8.149 4.502 -1.068 6 HB2 UVR 1 HB2 UVR 1 7.343 3.287 -2.056 7 HD1 UVR 1 HD1 UVR 1 8.534 2.704 -4.266 8 HE1 UVR 1 HE1 UVR 1 10.898 3.067 -5.223 9 HE3 UVR 1 HE3 UVR 1 10.764 4.686 -0.138 10 HZ2 UVR 1 HZ2 UVR 1 13.390 4.071 -4.331 11 HZ3 UVR 1 HZ3 UVR 1 13.143 5.327 -0.260 12 HH2 UVR 1 HH2 UVR 1 14.426 5.023 -2.316 13 HA B3L 2 HQ1 B3L 2 4.923 -0.799 2.057 14 HAA B3L 2 HQ2 B3L 2 4.051 0.563 2.742 15 HB B3L 2 HA B3L 2 4.530 1.943 0.983 16 HN B3L 2 HN B3L 2 6.602 0.678 -0.549 17 HG B3L 2 HB1 B3L 2 3.340 -0.131 0.918 18 HGA B3L 2 HB2 B3L 2 4.755 -0.943 0.262 19 HD B3L 2 HG B3L 2 4.465 0.980 -1.588 20 H3E2 B3L 2 HD13 B3L 2 3.171 -0.709 -2.901 21 H2E2 B3L 2 HD11 B3L 2 3.059 -1.676 -1.432 22 H1E2 B3L 2 HD12 B3L 2 4.636 -1.329 -2.140 23 H3E1 B3L 2 HD22 B3L 2 1.606 0.324 -1.115 24 H2E1 B3L 2 HD23 B3L 2 2.330 1.710 -1.930 25 H1E1 B3L 2 HD21 B3L 2 2.333 1.621 -0.168 26 H ALA 3 HN ALA 3 7.007 -1.049 2.363 27 HA ALA 3 HA ALA 3 7.769 0.117 4.915 28 HB1 ALA 3 HB1 ALA 3 7.815 -2.663 4.005 29 HB2 ALA 3 HB2 ALA 3 7.870 -2.011 5.643 30 HB3 ALA 3 HB3 ALA 3 9.347 -2.115 4.685 31 HN UVR 4 HN UVR 4 8.149 0.246 1.704 32 HA UVR 4 HA UVR 4 10.214 1.841 1.259 33 HB1 UVR 4 HB1 UVR 4 11.969 -0.157 0.619 34 HB2 UVR 4 HB2 UVR 4 11.264 -0.783 2.103 35 HG1 UVR 4 HG1 UVR 4 11.775 1.683 2.936 36 HG2 UVR 4 HG2 UVR 4 13.000 1.575 1.671 37 HD1 UVR 4 HD1 UVR 4 12.643 -0.367 3.951 38 HD2 UVR 4 HD2 UVR 4 13.892 0.875 3.838 39 HE1 UVR 4 HE1 UVR 4 15.083 -0.264 2.256 40 HE2 UVR 4 HE2 UVR 4 13.651 -1.053 1.591 41 HF1 UVR 4 HF1 UVR 4 14.389 -1.779 4.364 42 HF2 UVR 4 HF2 UVR 4 15.466 -2.347 3.080 43 HY1 UVR 4 HY1 UVR 4 13.104 -5.193 2.787 44 HY2 UVR 4 HY2 UVR 4 13.716 -4.693 4.373 45 HZ1 UVR 4 HZ1 UVR 4 15.503 -4.454 1.911 46 HZ2 UVR 4 HZ2 UVR 4 15.492 -5.911 2.866 47 HZ3 UVR 4 HZ3 UVR 4 15.987 -4.306 3.326 Start of MODEL 22 1 HM1 UVR 1 HM1 UVR 1 8.026 -0.445 -2.132 2 HM2 UVR 1 HM2 UVR 1 8.931 0.709 -3.083 3 HM3 UVR 1 HM3 UVR 1 7.324 0.856 -2.416 4 HA UVR 1 HA UVR 1 9.173 2.919 0.091 5 HB1 UVR 1 HB1 UVR 1 7.249 2.995 -2.232 6 HB2 UVR 1 HB2 UVR 1 8.969 3.345 -2.367 7 HD1 UVR 1 HD1 UVR 1 5.711 4.963 -1.571 8 HE1 UVR 1 HE1 UVR 1 6.095 7.398 -0.827 9 HE3 UVR 1 HE3 UVR 1 10.780 4.827 -0.941 10 HZ2 UVR 1 HZ2 UVR 1 8.263 9.042 -0.072 11 HZ3 UVR 1 HZ3 UVR 1 11.934 6.873 -0.207 12 HH2 UVR 1 HH2 UVR 1 10.700 8.937 0.217 13 HA B3L 2 HQ1 B3L 2 4.896 -0.732 2.107 14 HAA B3L 2 HQ2 B3L 2 4.087 0.656 2.818 15 HB B3L 2 HA B3L 2 4.593 2.033 1.055 16 HN B3L 2 HN B3L 2 6.558 0.669 -0.532 17 HG B3L 2 HB1 B3L 2 3.612 0.616 -0.417 18 HGA B3L 2 HB2 B3L 2 3.437 -0.190 1.126 19 HD B3L 2 HG B3L 2 5.856 -1.120 -0.003 20 H3E2 B3L 2 HD13 B3L 2 3.206 -2.196 0.735 21 H2E2 B3L 2 HD11 B3L 2 4.821 -2.709 1.229 22 H1E2 B3L 2 HD12 B3L 2 4.188 -3.186 -0.346 23 H3E1 B3L 2 HD22 B3L 2 5.527 -1.569 -2.192 24 H2E1 B3L 2 HD23 B3L 2 4.480 -0.152 -2.097 25 H1E1 B3L 2 HD21 B3L 2 3.786 -1.772 -2.000 26 H ALA 3 HN ALA 3 6.973 -1.065 2.364 27 HA ALA 3 HA ALA 3 7.791 0.005 4.941 28 HB1 ALA 3 HB1 ALA 3 9.286 -2.105 4.973 29 HB2 ALA 3 HB2 ALA 3 8.185 -2.716 3.738 30 HB3 ALA 3 HB3 ALA 3 7.570 -2.290 5.335 31 HN UVR 4 HN UVR 4 8.109 0.335 1.757 32 HA UVR 4 HA UVR 4 10.074 1.943 1.235 33 HB1 UVR 4 HB1 UVR 4 11.396 -0.723 1.768 34 HB2 UVR 4 HB2 UVR 4 11.753 0.820 2.530 35 HG1 UVR 4 HG1 UVR 4 13.318 1.213 1.025 36 HG2 UVR 4 HG2 UVR 4 12.112 1.139 -0.261 37 HD1 UVR 4 HD1 UVR 4 13.605 -0.506 -0.904 38 HD2 UVR 4 HD2 UVR 4 12.390 -1.433 -0.022 39 HE1 UVR 4 HE1 UVR 4 14.547 -0.394 1.662 40 HE2 UVR 4 HE2 UVR 4 15.084 -1.536 0.430 41 HF1 UVR 4 HF1 UVR 4 13.667 -3.242 1.250 42 HF2 UVR 4 HF2 UVR 4 12.756 -2.104 2.253 43 HY1 UVR 4 HY1 UVR 4 15.631 -0.750 3.467 44 HY2 UVR 4 HY2 UVR 4 15.554 -1.897 4.815 45 HZ1 UVR 4 HZ1 UVR 4 13.473 0.079 3.934 46 HZ2 UVR 4 HZ2 UVR 4 13.653 -0.652 5.505 47 HZ3 UVR 4 HZ3 UVR 4 12.831 -1.271 4.100