==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/DNA 20-FEB-09 2WB2 . COMPND 2 MOLECULE: PHOTOLYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR A.F.GLAS,S.SCHNEIDER,M.J.MAUL,U.HENNECKE,T.CARELL . 508 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 25 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 4 1 2 0 0 3 3 1 1 0 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A D > 0 0 111 0, 0.0 3,-1.0 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0 0.2 26.0 34.7 5.2 2 3 A S T 3 + 0 0 93 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.773 360.0 51.7 -66.7 -28.5 24.3 36.7 2.4 3 4 A Q T 3 S+ 0 0 143 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.381 87.5 117.8 -94.5 2.6 26.3 34.8 -0.2 4 5 A R < - 0 0 26 -3,-1.0 2,-0.2 33,-0.1 33,-0.2 -0.377 51.7-145.8 -77.0 147.2 25.3 31.3 1.1 5 6 A S E -a 37 0A 10 31,-1.5 33,-2.1 -2,-0.1 2,-0.4 -0.606 16.9-121.1 -99.9 169.5 23.4 28.7 -0.8 6 7 A T E -ab 38 101A 4 94,-2.3 96,-3.2 31,-0.2 97,-1.0 -0.910 11.3-157.8-120.1 143.1 20.9 26.2 0.7 7 8 A L E -ab 39 103A 4 31,-3.3 33,-2.4 -2,-0.4 2,-0.4 -0.959 20.2-158.3-114.4 129.9 20.9 22.4 0.6 8 9 A V E -ab 40 104A 1 95,-3.1 97,-2.3 -2,-0.4 2,-0.5 -0.940 16.1-165.3-122.8 133.5 17.5 20.8 1.2 9 10 A H E -ab 41 105A 4 31,-2.0 33,-3.2 -2,-0.4 2,-0.6 -0.944 16.7-150.3-111.0 130.4 16.4 17.4 2.3 10 11 A W E -ab 42 106A 7 95,-3.0 2,-0.6 -2,-0.5 97,-0.6 -0.889 4.5-158.7-108.1 116.8 12.7 16.5 1.7 11 12 A F E +a 43 0A 0 31,-3.1 33,-0.5 -2,-0.6 3,-0.1 -0.817 38.1 135.5 -94.9 117.1 11.0 14.2 4.1 12 13 A R S S- 0 0 29 1,-1.1 2,-0.3 -2,-0.6 -1,-0.2 0.596 86.4 -2.6-118.9 -49.7 7.9 12.5 2.6 13 14 A K S S+ 0 0 23 -3,-0.3 -1,-1.1 94,-0.2 94,-0.3 -0.820 114.4 65.5-133.4 163.1 8.5 9.0 3.9 14 15 A G - 0 0 1 252,-0.7 2,-1.9 -2,-0.3 253,-0.3 0.934 58.3-179.3 80.5 48.0 11.6 8.1 5.8 15 16 A L + 0 0 1 251,-1.7 2,-0.3 -3,-0.1 208,-0.2 -0.503 46.0 89.8 -84.7 70.4 10.9 10.2 8.8 16 17 A R - 0 0 2 -2,-1.9 7,-0.1 -3,-0.1 253,-0.1 -0.970 66.6-140.9-154.5 164.5 14.1 9.3 10.6 17 18 A L S > S+ 0 0 3 -2,-0.3 3,-0.6 251,-0.2 2,-0.1 0.743 81.3 82.6 -98.5 -38.0 17.7 10.3 11.2 18 19 A H T 3 S+ 0 0 10 1,-0.2 157,-0.2 250,-0.2 158,-0.2 -0.448 103.4 3.4 -70.4 143.0 19.2 6.8 11.3 19 20 A D T 3 S+ 0 0 0 155,-1.0 -1,-0.2 156,-0.7 253,-0.1 0.914 85.6 139.4 46.8 61.0 19.9 5.1 8.0 20 21 A N <> + 0 0 1 155,-0.6 4,-3.1 -3,-0.6 3,-0.2 -0.707 24.2 175.4-131.6 82.3 19.0 7.9 5.8 21 22 A P H > S+ 0 0 21 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.856 83.8 55.9 -56.0 -37.1 21.5 8.2 2.9 22 23 A A H > S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 111,-0.1 0.941 113.9 39.0 -59.6 -46.6 19.5 11.0 1.4 23 24 A L H > S+ 0 0 0 -3,-0.2 4,-1.6 1,-0.2 3,-0.5 0.919 114.5 52.6 -71.3 -45.7 19.7 13.0 4.7 24 25 A S H X S+ 0 0 19 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.866 98.0 66.4 -57.6 -41.2 23.3 12.1 5.4 25 26 A H H X S+ 0 0 61 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.893 105.4 44.8 -46.6 -49.0 24.4 13.3 2.0 26 27 A I H X S+ 0 0 1 -4,-0.9 4,-2.6 -3,-0.5 -1,-0.2 0.979 111.4 49.1 -58.3 -63.6 23.5 16.8 3.0 27 28 A F H X S+ 0 0 1 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.827 115.3 44.6 -53.2 -38.4 25.0 16.9 6.4 28 29 A T H X S+ 0 0 86 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.902 112.5 51.7 -75.0 -39.0 28.3 15.5 5.1 29 30 A A H X S+ 0 0 34 -4,-2.3 4,-1.5 -5,-0.3 -2,-0.2 0.865 108.5 55.5 -58.5 -35.1 28.3 17.9 2.1 30 31 A A H < S+ 0 0 1 -4,-2.6 6,-0.3 1,-0.2 7,-0.3 0.924 112.6 35.8 -69.0 -47.1 27.7 20.7 4.6 31 32 A N H < S+ 0 0 18 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.675 107.0 67.2 -86.1 -17.4 30.6 20.3 6.9 32 33 A A H < S+ 0 0 84 -4,-1.5 -1,-0.2 1,-0.4 -2,-0.2 0.920 117.0 29.9 -63.8 -42.1 32.8 19.2 4.0 33 34 A A S < S- 0 0 31 -4,-1.5 -1,-0.4 -5,-0.2 4,-0.4 -0.930 89.6-170.5-114.2 98.0 32.3 22.8 3.0 34 35 A P S S+ 0 0 56 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.885 75.1 22.5 -63.4 -44.7 31.9 24.4 6.4 35 36 A G S S+ 0 0 46 1,-0.1 -4,-0.1 -4,-0.1 -5,-0.1 0.342 103.4 80.7-107.1 5.8 30.7 28.0 5.6 36 37 A R S S+ 0 0 117 -6,-0.3 -31,-1.5 -3,-0.2 2,-0.3 0.545 86.6 53.4 -89.6 -8.1 29.3 27.6 2.1 37 38 A Y E -a 5 0A 40 -4,-0.4 2,-0.4 -7,-0.3 -31,-0.2 -0.910 53.3-150.7-136.2 160.0 25.8 26.2 2.9 38 39 A F E -a 6 0A 7 -33,-2.1 -31,-3.3 -2,-0.3 2,-0.5 -0.962 26.7-143.1-120.1 134.4 22.5 26.5 4.8 39 40 A V E +a 7 0A 5 -2,-0.4 -31,-0.2 -33,-0.2 -33,-0.1 -0.912 18.4 179.7-110.5 125.1 20.7 23.3 5.6 40 41 A R E -a 8 0A 4 -33,-2.4 -31,-2.0 -2,-0.5 2,-0.7 -0.970 9.9-166.2-122.6 118.5 17.0 23.0 5.5 41 42 A P E -a 9 0A 0 0, 0.0 41,-1.9 0, 0.0 2,-0.3 -0.915 28.0-170.0-100.5 118.1 15.4 19.7 6.4 42 43 A I E -ac 10 82A 0 -33,-3.2 -31,-3.1 -2,-0.7 2,-0.4 -0.840 30.5-169.6-120.5 152.0 11.8 20.1 5.3 43 44 A F E -ac 11 83A 22 39,-2.6 41,-1.9 -2,-0.3 2,-0.9 -0.996 22.1-143.4-129.8 129.2 8.4 18.4 5.5 44 45 A I E - c 0 84A 16 -33,-0.5 2,-0.7 -2,-0.4 41,-0.2 -0.801 10.1-157.9 -99.5 102.9 5.7 19.7 3.2 45 46 A L E - c 0 85A 10 39,-1.7 41,-2.9 -2,-0.9 3,-0.1 -0.674 7.9-151.3 -83.4 118.4 2.3 19.6 4.8 46 47 A D > - 0 0 27 -2,-0.7 3,-1.0 39,-0.2 4,-0.2 -0.723 18.7-170.9 -86.9 92.9 -0.4 19.7 2.2 47 48 A P G > S+ 0 0 49 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.767 70.7 70.0 -62.3 -29.4 -2.8 21.4 4.6 48 49 A G G > S+ 0 0 49 1,-0.3 3,-1.1 2,-0.1 4,-0.2 0.833 90.1 64.1 -59.1 -35.2 -5.9 21.0 2.5 49 50 A I G X S+ 0 0 60 -3,-1.0 3,-1.6 1,-0.2 -1,-0.3 0.580 76.2 86.9 -66.4 -12.6 -6.0 17.3 3.1 50 51 A L G < S+ 0 0 25 -3,-1.8 -1,-0.2 1,-0.3 159,-0.2 0.888 91.0 48.4 -58.0 -38.4 -6.6 17.6 6.9 51 52 A D G < S+ 0 0 119 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.615 93.8 116.6 -72.6 -12.3 -10.3 17.8 6.2 52 53 A W < - 0 0 122 -3,-1.6 3,-0.4 -4,-0.2 -3,-0.0 -0.213 63.9-142.3 -61.3 145.7 -9.7 14.7 4.0 53 54 A M S S+ 0 0 112 1,-0.2 -1,-0.1 3,-0.0 -3,-0.0 0.633 86.1 75.7 -88.3 -18.6 -11.4 11.5 5.0 54 55 A Q S S+ 0 0 15 -5,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.108 85.4 80.3 -82.4 25.5 -8.7 8.8 4.2 55 56 A V S S- 0 0 31 -3,-0.4 337,-0.2 -5,-0.1 2,-0.1 -0.988 74.6-143.0-131.0 122.8 -6.8 9.9 7.3 56 57 A G > - 0 0 5 336,-0.4 4,-1.8 -2,-0.4 5,-0.1 -0.421 22.4-120.7 -79.0 157.8 -7.9 8.6 10.7 57 58 A A H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.915 116.8 54.9 -62.5 -39.8 -7.7 10.8 13.8 58 59 A N H > S+ 0 0 10 155,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.884 107.1 47.7 -60.5 -40.8 -5.3 8.2 15.2 59 60 A R H > S+ 0 0 19 333,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.821 107.5 56.5 -72.1 -31.2 -3.0 8.4 12.2 60 61 A W H X S+ 0 0 19 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.928 107.8 49.1 -63.4 -42.7 -3.0 12.2 12.3 61 62 A R H X S+ 0 0 31 -4,-2.0 4,-2.5 2,-0.2 160,-0.2 0.856 108.1 53.9 -62.7 -39.7 -1.8 12.0 15.9 62 63 A F H X S+ 0 0 2 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.937 110.8 45.5 -62.9 -45.7 0.9 9.5 14.9 63 64 A L H X S+ 0 0 15 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.894 111.3 53.5 -60.6 -40.6 2.2 12.0 12.3 64 65 A Q H X S+ 0 0 9 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.945 112.6 43.1 -62.1 -48.8 2.0 14.9 14.8 65 66 A Q H X S+ 0 0 39 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.864 112.1 55.4 -63.8 -37.7 4.1 13.0 17.3 66 67 A T H X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.2 157,-0.3 0.916 107.4 47.8 -61.7 -46.3 6.5 11.8 14.5 67 68 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.884 109.4 53.7 -66.9 -38.7 7.3 15.3 13.3 68 69 A E H X S+ 0 0 89 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.895 111.2 45.9 -62.6 -40.3 7.9 16.5 16.9 69 70 A D H X S+ 0 0 17 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.900 110.5 52.8 -66.8 -43.6 10.4 13.7 17.4 70 71 A L H X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.850 110.0 49.1 -63.2 -35.5 12.1 14.3 14.1 71 72 A D H X S+ 0 0 21 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.922 110.3 50.5 -66.6 -46.4 12.5 18.0 15.0 72 73 A N H X S+ 0 0 65 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.856 112.0 47.2 -61.8 -38.6 13.9 17.1 18.4 73 74 A Q H >< S+ 0 0 35 -4,-2.4 3,-0.6 1,-0.2 4,-0.3 0.894 112.1 49.6 -70.2 -39.4 16.4 14.7 16.9 74 75 A L H ><>S+ 0 0 0 -4,-1.8 5,-2.1 1,-0.2 3,-1.1 0.805 102.7 63.5 -67.5 -29.8 17.4 17.3 14.2 75 76 A R H ><5S+ 0 0 124 -4,-2.1 3,-1.1 1,-0.3 -1,-0.2 0.819 95.7 58.1 -63.9 -32.5 17.8 19.8 17.0 76 77 A K T <<5S+ 0 0 142 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.573 100.9 56.3 -77.8 -12.7 20.6 17.8 18.5 77 78 A L T < 5S- 0 0 19 -3,-1.1 103,-1.5 -4,-0.3 -1,-0.3 -0.092 125.9-100.6-103.3 30.0 22.5 18.0 15.2 78 79 A N T < 5S+ 0 0 76 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.667 97.7 87.6 57.2 21.6 22.4 21.9 15.4 79 80 A S < - 0 0 18 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.2 -0.254 59.5-151.3-122.1-151.9 19.5 21.9 12.9 80 81 A R - 0 0 69 -2,-0.1 2,-0.3 -3,-0.1 -9,-0.1 -0.930 25.0 -92.7-177.4 163.8 15.7 21.7 12.9 81 82 A L - 0 0 2 -2,-0.3 2,-0.5 -14,-0.1 -39,-0.2 -0.678 27.3-154.5 -88.1 145.4 12.7 20.6 11.0 82 83 A F E -c 42 0A 7 -41,-1.9 -39,-2.6 -2,-0.3 2,-0.9 -0.973 3.7-162.3-120.7 110.3 10.9 23.0 8.8 83 84 A V E -c 43 0A 0 116,-2.6 2,-0.5 -2,-0.5 -39,-0.2 -0.825 11.5-165.2 -98.3 101.7 7.2 22.1 8.2 84 85 A V E -c 44 0A 1 -41,-1.9 -39,-1.7 -2,-0.9 2,-0.4 -0.745 10.5-141.5 -92.3 120.1 6.2 24.1 5.2 85 86 A R E +c 45 0A 70 -2,-0.5 2,-0.3 113,-0.2 -39,-0.2 -0.701 57.1 59.4 -85.6 129.2 2.5 24.3 4.6 86 87 A G S S- 0 0 19 -41,-2.9 5,-0.0 -2,-0.4 -2,-0.0 -0.895 87.3 -54.4 148.8-176.9 1.3 24.2 1.0 87 88 A K >> - 0 0 107 -2,-0.3 3,-2.2 1,-0.1 4,-1.0 -0.834 44.4-127.7 -98.1 130.7 1.3 22.1 -2.2 88 89 A P H >> S+ 0 0 12 0, 0.0 4,-2.4 0, 0.0 3,-0.6 0.817 107.7 59.4 -42.3 -39.4 4.7 21.0 -3.4 89 90 A A H 34 S+ 0 0 67 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.747 113.4 34.9 -63.4 -29.5 3.9 22.5 -6.8 90 91 A E H <4 S+ 0 0 142 -3,-2.2 -1,-0.2 2,-0.1 4,-0.1 0.359 120.2 49.4-110.5 -0.7 3.4 26.0 -5.5 91 92 A V H XX S+ 0 0 3 -4,-1.0 4,-2.5 -3,-0.6 3,-0.6 0.815 100.8 57.5-104.4 -54.0 6.0 25.9 -2.8 92 93 A F H 3X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.3 5,-0.3 0.879 102.7 54.2 -50.9 -46.1 9.1 24.5 -4.5 93 94 A P H 3> S+ 0 0 37 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.890 113.3 45.2 -55.9 -39.7 9.3 27.3 -7.1 94 95 A R H <> S+ 0 0 60 -3,-0.6 4,-2.4 2,-0.2 5,-0.2 0.911 112.8 48.9 -67.8 -45.8 9.2 29.8 -4.3 95 96 A I H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 5,-0.4 0.862 106.7 52.8 -66.8 -39.6 11.8 28.1 -2.1 96 97 A F H X>S+ 0 0 7 -4,-2.3 5,-1.2 -5,-0.2 4,-1.1 0.946 116.8 41.3 -62.2 -45.3 14.5 27.5 -4.7 97 98 A K H <5S+ 0 0 143 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.875 121.8 38.5 -66.8 -42.0 14.4 31.2 -5.6 98 99 A S H <5S+ 0 0 45 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.854 126.4 33.7 -83.1 -37.1 14.1 32.6 -2.1 99 100 A W H <5S- 0 0 19 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.615 103.3-127.6 -90.1 -15.5 16.4 30.2 -0.2 100 101 A R T <5 - 0 0 108 -4,-1.1 -94,-2.3 -5,-0.4 2,-0.4 0.984 32.2-156.1 60.1 62.8 18.7 29.9 -3.2 101 102 A V E < +b 6 0A 11 -5,-1.2 -94,-0.2 -6,-0.3 -1,-0.2 -0.558 25.5 176.5 -74.7 127.0 18.6 26.1 -3.2 102 103 A E E + 0 0 76 -96,-3.2 29,-2.1 -2,-0.4 2,-0.4 0.693 68.4 24.1 -98.1 -31.8 21.5 24.2 -4.8 103 104 A M E -bd 7 131A 7 -97,-1.0 -95,-3.1 27,-0.2 2,-0.4 -0.999 54.9-168.8-142.6 143.6 20.5 20.7 -3.9 104 105 A L E -bd 8 132A 0 27,-2.9 29,-1.6 -2,-0.4 2,-0.4 -0.996 14.1-178.0-128.1 131.0 17.4 18.8 -3.2 105 106 A T E +bd 9 133A 0 -97,-2.3 -95,-3.0 -2,-0.4 2,-0.3 -0.992 7.9 156.5-134.1 141.1 17.4 15.2 -1.8 106 107 A F E -bd 10 134A 3 27,-0.7 29,-2.2 -2,-0.4 2,-0.4 -0.947 42.8 -95.5-150.8 169.8 14.8 12.7 -1.0 107 108 A E E - d 0 135A 4 -97,-0.6 29,-0.2 -94,-0.3 -94,-0.2 -0.788 48.6-114.1 -88.2 128.5 13.8 9.1 -0.5 108 109 A T - 0 0 44 27,-3.1 2,-0.4 -2,-0.4 30,-0.3 -0.400 28.0-161.5 -68.3 138.7 12.2 7.5 -3.6 109 110 A D - 0 0 17 5,-0.1 9,-0.1 -2,-0.1 -1,-0.0 -0.984 14.4-158.5-127.3 126.8 8.6 6.4 -3.4 110 111 A I + 0 0 38 -2,-0.4 -1,-0.1 4,-0.1 5,-0.1 0.557 56.2 115.7 -74.3 -14.2 6.9 3.9 -5.9 111 112 A E S > S- 0 0 40 1,-0.1 4,-2.4 4,-0.1 5,-0.1 -0.266 74.2-121.1 -61.3 147.1 3.3 5.0 -5.2 112 113 A P H > S+ 0 0 44 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.896 111.5 50.0 -60.4 -43.7 1.6 6.6 -8.2 113 114 A Y H > S+ 0 0 131 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.942 114.4 46.4 -57.5 -46.1 0.9 9.9 -6.6 114 115 A S H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.843 109.6 54.5 -67.0 -34.1 4.5 10.1 -5.5 115 116 A V H X S+ 0 0 77 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.955 113.0 40.8 -62.9 -51.5 5.8 9.1 -8.9 116 117 A T H X S+ 0 0 93 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.822 117.6 50.1 -66.7 -34.4 3.9 11.9 -10.7 117 118 A R H X S+ 0 0 43 -4,-2.1 4,-2.2 -5,-0.3 5,-0.2 0.952 111.6 45.7 -68.1 -53.2 4.7 14.4 -8.0 118 119 A D H X S+ 0 0 15 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.843 110.5 54.2 -62.1 -37.4 8.4 13.7 -7.9 119 120 A A H X S+ 0 0 57 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.908 108.6 49.8 -61.4 -43.3 8.6 13.8 -11.7 120 121 A A H X S+ 0 0 59 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.902 113.7 44.4 -63.8 -42.2 7.0 17.2 -11.6 121 122 A V H X S+ 0 0 6 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.774 111.3 54.3 -74.3 -28.4 9.5 18.4 -8.9 122 123 A Q H X S+ 0 0 75 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.881 111.1 46.4 -66.9 -39.8 12.4 16.7 -10.9 123 124 A K H X S+ 0 0 161 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.913 112.1 49.9 -69.0 -42.8 11.3 18.7 -13.9 124 125 A L H X S+ 0 0 50 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.857 111.8 47.4 -68.2 -37.1 11.0 21.9 -12.0 125 126 A A H X>S+ 0 0 1 -4,-1.8 5,-3.0 2,-0.2 4,-0.7 0.828 106.5 59.0 -71.4 -34.1 14.4 21.6 -10.5 126 127 A K H <5S+ 0 0 180 -4,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.867 110.1 41.5 -66.1 -40.5 15.9 20.8 -13.8 127 128 A A H <5S+ 0 0 91 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.886 114.9 51.8 -67.3 -42.3 14.8 24.1 -15.3 128 129 A E H <5S- 0 0 80 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.503 115.4-114.9 -81.8 -6.1 15.7 26.0 -12.1 129 130 A G T <5 + 0 0 64 -4,-0.7 2,-0.4 1,-0.2 -3,-0.2 0.956 62.8 151.1 71.5 50.8 19.2 24.5 -12.2 130 131 A V < - 0 0 11 -5,-3.0 2,-0.4 -8,-0.1 -1,-0.2 -0.975 43.9-128.2-118.0 127.9 18.8 22.6 -9.0 131 132 A R E -d 103 0A 119 -29,-2.1 -27,-2.9 -2,-0.4 2,-0.5 -0.602 23.7-165.4 -79.0 126.6 20.7 19.3 -8.3 132 133 A V E +d 104 0A 26 -2,-0.4 2,-0.5 -29,-0.2 -27,-0.2 -0.954 11.6 177.2-120.2 121.6 18.5 16.4 -7.3 133 134 A E E -d 105 0A 70 -29,-1.6 -27,-0.7 -2,-0.5 2,-0.3 -0.974 12.5-168.5-122.0 112.7 20.0 13.2 -5.8 134 135 A T E -d 106 0A 53 -2,-0.5 2,-0.3 -29,-0.2 -27,-0.2 -0.783 2.4-158.9-107.2 150.2 17.4 10.5 -4.7 135 136 A H E -d 107 0A 49 -29,-2.2 -27,-3.1 -2,-0.3 2,-0.7 -0.914 15.7-136.4-130.0 153.2 18.0 7.4 -2.7 136 137 A C + 0 0 32 -2,-0.3 6,-0.1 -29,-0.2 -29,-0.1 -0.863 52.2 127.4-115.5 95.6 16.1 4.2 -2.2 137 138 A S + 0 0 0 -2,-0.7 134,-0.3 -29,-0.2 135,-0.3 0.236 46.7 87.2-135.3 8.5 16.0 3.3 1.4 138 139 A H S S+ 0 0 10 -30,-0.3 2,-0.3 -3,-0.1 133,-0.3 0.857 100.4 33.9 -77.4 -35.9 12.3 2.7 2.2 139 140 A T S S- 0 0 5 1,-0.1 3,-0.1 131,-0.1 133,-0.1 -0.832 80.0-128.6-115.8 156.6 12.8 -0.9 1.1 140 141 A I S S+ 0 0 3 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.942 98.8 40.3 -64.0 -51.2 15.8 -3.2 1.5 141 142 A Y S S- 0 0 24 29,-0.1 -1,-0.2 -3,-0.1 29,-0.1 -0.891 90.2-118.2-107.3 129.2 15.7 -4.1 -2.2 142 143 A N > - 0 0 49 -2,-0.5 4,-1.8 1,-0.2 3,-0.4 -0.497 18.0-148.1 -62.4 117.2 15.0 -1.6 -5.0 143 144 A P H > S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.818 97.3 60.1 -58.8 -30.4 11.8 -2.9 -6.7 144 145 A E H > S+ 0 0 145 1,-0.2 4,-2.1 2,-0.2 8,-0.1 0.943 107.7 42.6 -62.7 -46.0 13.2 -1.5 -10.0 145 146 A L H > S+ 0 0 92 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.816 111.0 56.0 -72.6 -30.2 16.3 -3.7 -9.8 146 147 A V H X S+ 0 0 0 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.940 110.2 44.7 -66.6 -45.8 14.3 -6.7 -8.7 147 148 A I H <>S+ 0 0 29 -4,-2.2 5,-2.1 1,-0.2 6,-0.8 0.922 111.7 55.9 -60.2 -43.7 12.0 -6.4 -11.8 148 149 A A H ><5S+ 0 0 60 -4,-2.1 3,-1.1 1,-0.3 4,-0.4 0.923 107.2 46.5 -55.7 -50.9 15.2 -5.8 -13.9 149 150 A K H 3<5S+ 0 0 104 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.711 103.6 62.2 -73.5 -21.4 16.8 -9.1 -12.8 150 151 A N T ><5S- 0 0 33 -4,-1.3 3,-0.9 -3,-0.4 -1,-0.3 -0.057 131.2 -94.0 -89.5 32.0 13.6 -11.1 -13.4 151 152 A L T < 5S- 0 0 166 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.2 0.812 81.2 -48.9 60.2 37.7 14.0 -10.0 -17.0 152 153 A G T 3 S- 0 0 80 1,-0.1 4,-1.9 147,-0.0 5,-0.1 -0.996 74.9-135.9-132.2 142.9 5.3 -15.7 -6.3 158 159 A Y H > S+ 0 0 16 -2,-0.4 4,-2.0 1,-0.2 5,-0.1 0.863 102.9 48.7 -63.1 -46.6 7.1 -15.4 -3.0 159 160 A Q H > S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.882 112.4 50.3 -63.8 -38.1 9.6 -18.2 -3.4 160 161 A K H > S+ 0 0 122 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.881 108.5 53.0 -65.7 -40.1 10.6 -17.0 -6.9 161 162 A F H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.874 106.3 52.5 -64.1 -42.3 11.0 -13.5 -5.4 162 163 A L H X S+ 0 0 28 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.876 106.9 53.5 -60.4 -41.2 13.4 -14.7 -2.8 163 164 A G H < S+ 0 0 22 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.834 111.7 45.1 -64.1 -38.7 15.5 -16.5 -5.5 164 165 A I H >< S+ 0 0 18 -4,-1.6 3,-0.6 1,-0.1 -2,-0.2 0.919 115.1 46.6 -69.5 -45.8 15.8 -13.2 -7.4 165 166 A V H >< S+ 0 0 5 -4,-2.5 3,-2.3 1,-0.2 -2,-0.2 0.832 98.8 65.6 -66.9 -38.3 16.6 -11.0 -4.3 166 167 A E T 3< S+ 0 0 148 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.757 98.6 56.6 -61.0 -24.6 19.2 -13.2 -2.7 167 168 A Q T < S+ 0 0 117 -3,-0.6 2,-0.4 -4,-0.4 -1,-0.3 0.212 93.8 89.0 -94.3 17.4 21.5 -12.6 -5.7 168 169 A L S < S- 0 0 30 -3,-2.3 2,-0.2 -27,-0.0 -22,-0.0 -0.897 85.6-106.3-112.6 147.8 21.3 -8.8 -5.2 169 170 A K - 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0 0 0 -103,-1.5 2,-0.5 -2,-0.4 3,-0.4 -0.282 30.9-139.9 -54.8 120.2 26.4 20.5 11.8 181 182 A K S S- 0 0 122 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 -0.725 74.8 -7.8 -87.5 124.6 29.7 22.5 12.3 182 183 A N S S+ 0 0 119 -2,-0.5 -1,-0.2 1,-0.2 -2,-0.0 0.961 84.4 152.4 57.7 68.6 29.2 26.3 12.2 183 184 A M - 0 0 33 -3,-0.4 -1,-0.2 -105,-0.0 -145,-0.1 -0.815 22.6-170.0-135.3 87.7 25.6 26.6 11.1 184 185 A P - 0 0 54 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.325 45.0 -78.5 -71.7 163.6 23.7 29.7 12.2 185 186 A T - 0 0 126 1,-0.1 3,-0.1 -147,-0.1 -106,-0.0 -0.362 53.5-108.7 -61.2 134.4 20.0 29.8 11.6 186 187 A P - 0 0 15 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.412 44.7 -92.2 -58.6 145.3 19.2 30.6 8.0 187 188 A P - 0 0 88 0, 0.0 5,-0.1 0, 0.0 2,-0.1 -0.285 52.8 -91.2 -61.8 143.7 17.8 34.1 7.6 188 189 A K - 0 0 123 4,-0.1 2,-0.1 -3,-0.1 8,-0.0 -0.319 40.9-133.8 -62.0 134.1 14.0 34.3 7.7 189 190 A D >> - 0 0 9 -3,-0.1 4,-2.3 1,-0.1 3,-1.3 -0.392 37.5 -86.4 -82.5 162.8 12.3 34.0 4.4 190 191 A E H 3> S+ 0 0 84 1,-0.3 4,-1.3 2,-0.2 5,-0.1 0.828 133.9 45.8 -32.9 -47.4 9.4 36.3 3.2 191 192 A V H 3> S+ 0 0 51 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.804 111.5 50.7 -71.2 -35.0 7.0 33.9 5.1 192 193 A E H <4 S+ 0 0 14 -3,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.749 105.4 56.6 -72.9 -29.0 9.2 33.7 8.3 193 194 A Q H < S+ 0 0 141 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.914 109.3 45.7 -69.8 -39.9 9.5 37.5 8.5 194 195 A K H < S+ 0 0 195 -4,-1.3 2,-0.3 -5,-0.3 -2,-0.2 0.809 135.8 9.5 -74.6 -33.6 5.7 37.8 8.6 195 196 A D >< - 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0 0 0 -2,-0.4 4,-1.6 1,-0.1 3,-0.2 -0.676 8.5-151.5 -80.9 122.7 14.6 1.6 8.8 271 272 A A H > S+ 0 0 2 -2,-0.5 4,-1.5 -134,-0.3 -1,-0.1 0.613 98.1 55.3 -67.2 -13.6 13.6 -1.8 7.4 272 273 A R H > S+ 0 0 10 -135,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.817 104.9 48.6 -90.0 -36.3 17.3 -2.3 6.7 273 274 A L H > S+ 0 0 26 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.816 114.6 49.1 -64.2 -33.2 18.4 -1.8 10.2 274 275 A F H X S+ 0 0 3 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.944 111.8 46.3 -75.7 -46.3 15.7 -4.2 11.2 275 276 A N H X S+ 0 0 8 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.928 114.0 50.2 -57.8 -47.2 16.7 -6.8 8.6 276 277 A Q H X S+ 0 0 83 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.868 110.1 48.8 -59.6 -44.9 20.3 -6.4 9.6 277 278 A K H X S+ 0 0 73 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.848 112.0 50.0 -64.9 -35.7 19.5 -6.8 13.3 278 279 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 3,-0.4 0.889 106.7 53.6 -70.2 -43.0 17.5 -9.9 12.6 279 280 A K H X S+ 0 0 97 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.922 105.2 55.2 -59.4 -44.4 20.2 -11.5 10.6 280 281 A E H X S+ 0 0 87 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.806 110.3 46.5 -57.2 -32.0 22.6 -11.0 13.4 281 282 A I H >X S+ 0 0 5 -4,-0.9 3,-0.9 -3,-0.4 4,-0.8 0.912 107.1 54.7 -80.5 -41.1 20.3 -12.9 15.7 282 283 A I H >< S+ 0 0 31 -4,-2.3 3,-0.8 1,-0.3 -2,-0.2 0.878 105.0 56.8 -58.9 -37.3 19.5 -15.8 13.4 283 284 A K H 3< S+ 0 0 141 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.766 107.1 46.5 -67.6 -29.1 23.2 -16.3 13.2 284 285 A R H << S+ 0 0 140 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.559 105.4 71.3 -89.2 -7.6 23.6 -16.7 16.9 285 286 A Q << - 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