==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-DEC-06 2O9X . COMPND 2 MOLECULE: REDUCTASE, ASSEMBLY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR O.KIRILLOVA,M.CHRUSZCZ,T.SKARINA,E.GORODICHTCHENSKAIA,M.CYMB . 162 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8423.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 0 0.0 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 . 0 0.0 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 48.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 4.3 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 1 0 1 1 1 0 0 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL 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 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 -8 A R 0 0 169 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 113.1 54.2 53.3 40.0 2 -7 A E - 0 0 73 1,-0.0 7,-0.0 10,-0.0 0, 0.0 -0.832 360.0 -53.1-133.4 163.9 50.9 53.0 42.1 3 -6 A N - 0 0 105 -2,-0.3 3,-0.2 1,-0.1 5,-0.2 -0.048 32.3-165.9 -81.5 141.8 50.2 56.0 44.3 4 -5 A L S S+ 0 0 104 1,-0.2 -1,-0.1 3,-0.1 3,-0.1 0.262 88.0 39.2 -93.2 6.5 52.4 57.5 46.9 5 -4 A Y S S+ 0 0 185 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.442 93.8 69.4-141.9 22.4 49.6 59.5 48.5 6 -3 A F S S- 0 0 160 -3,-0.2 2,-0.4 0, 0.0 -1,-0.2 -0.999 82.0-107.6-136.8 137.4 46.3 57.8 48.8 7 -2 A Q - 0 0 140 -2,-0.4 -3,-0.1 -3,-0.1 -4,-0.0 -0.483 67.1 -17.6 -74.8 114.9 45.6 55.0 51.1 8 -1 A G - 0 0 47 -2,-0.4 2,-0.5 -5,-0.2 3,-0.3 0.676 61.2 -75.6 85.9 163.1 45.2 51.6 49.5 9 0 A H > + 0 0 100 1,-0.2 4,-3.2 30,-0.1 5,-0.2 -0.129 56.7 123.3-100.4 25.3 44.6 49.2 46.8 10 1 A X H > S+ 0 0 89 -2,-0.5 4,-3.1 1,-0.2 -1,-0.2 0.895 87.9 44.9 -52.1 -46.7 41.1 48.7 45.5 11 2 A R H > S+ 0 0 131 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.981 112.9 51.0 -60.8 -55.2 41.9 49.5 41.9 12 3 A E H > S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.939 110.8 51.3 -45.4 -55.4 45.1 47.4 42.1 13 4 A H H X S+ 0 0 67 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.907 106.3 52.7 -47.7 -60.2 42.9 44.6 43.4 14 5 A L H X S+ 0 0 1 -4,-3.1 4,-2.8 2,-0.2 -1,-0.2 0.942 106.3 53.1 -37.3 -60.9 40.4 44.8 40.7 15 6 A K H X S+ 0 0 35 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.930 106.2 55.2 -50.6 -44.5 43.1 44.6 38.0 16 7 A L H X S+ 0 0 23 -4,-2.2 4,-3.5 -5,-0.2 -1,-0.2 0.953 109.0 47.2 -48.0 -50.1 44.3 41.4 39.8 17 8 A F H X S+ 0 0 16 -4,-2.3 4,-2.6 1,-0.3 -2,-0.2 0.945 108.8 53.1 -67.6 -40.5 40.8 40.0 39.4 18 9 A S H < S+ 0 0 12 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.909 113.1 44.9 -54.7 -45.3 40.6 40.9 35.8 19 10 A L H >< S+ 0 0 46 -4,-3.1 3,-1.6 -5,-0.2 -1,-0.2 0.923 108.6 56.7 -60.2 -46.0 43.9 39.1 35.3 20 11 A I H 3< S+ 0 0 25 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.896 109.2 49.4 -59.5 -31.2 42.7 36.2 37.3 21 12 A F T 3< S+ 0 0 3 -4,-2.6 94,-0.4 -5,-0.2 -1,-0.3 0.025 91.8 82.1-105.5 34.7 39.8 35.9 35.0 22 13 A S S < S- 0 0 18 -3,-1.6 3,-0.0 93,-0.1 38,-0.0 -0.611 101.6 -72.7-105.0-179.7 41.2 36.0 31.5 23 14 A Y - 0 0 118 -2,-0.2 5,-0.1 1,-0.1 -2,-0.1 -0.689 68.6-117.7 -70.6 128.1 42.7 33.0 29.7 24 15 A P + 0 0 8 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.265 39.8 167.0 -70.5 152.3 46.0 32.6 31.6 25 16 A D >> - 0 0 67 1,-0.2 4,-3.2 -2,-0.1 5,-0.5 -0.989 51.2 -91.9-165.5 174.7 49.6 32.8 30.3 26 17 A E H >5S+ 0 0 86 -2,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.960 127.2 39.7 -57.4 -49.9 53.2 33.1 31.2 27 18 A D H >5S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 3,-0.3 0.957 117.2 45.0 -60.6 -64.0 52.9 36.8 31.1 28 19 A K H >5S+ 0 0 37 1,-0.3 4,-4.1 2,-0.2 -2,-0.2 0.928 115.9 49.6 -42.2 -57.5 49.4 37.3 32.7 29 20 A L H X5S+ 0 0 43 -4,-3.2 4,-2.3 2,-0.2 -1,-0.3 0.870 112.8 51.0 -50.7 -38.1 50.5 34.7 35.5 30 21 A G H XX S+ 0 0 53 -4,-2.6 4,-3.0 2,-0.2 3,-0.7 0.883 118.3 49.5 -43.3 -49.2 51.9 40.2 36.1 32 23 A A H 3X S+ 0 0 9 -4,-4.1 4,-2.5 1,-0.3 5,-0.4 0.976 105.8 50.7 -62.6 -64.6 49.3 38.6 38.5 33 24 A I H 3X S+ 0 0 28 -4,-2.3 4,-0.7 1,-0.2 -1,-0.3 0.719 118.7 47.5 -40.9 -18.5 51.7 36.8 40.9 34 25 A A H S+ 0 0 39 -4,-3.0 4,-2.3 1,-0.2 5,-0.5 0.998 115.7 55.7 -50.9 -63.7 50.2 42.6 41.4 36 27 A A H <>S+ 0 0 5 -4,-2.5 5,-0.5 1,-0.2 -1,-0.2 0.819 112.0 40.7 -29.0 -55.2 49.2 39.9 43.9 37 28 A E H ><5S+ 0 0 63 -4,-0.7 3,-1.5 -5,-0.4 -2,-0.2 0.981 115.6 49.9 -72.5 -54.8 52.5 40.3 45.8 38 29 A G H 3<5S+ 0 0 66 -4,-3.5 -2,-0.2 1,-0.3 -3,-0.2 0.929 113.9 43.5 -39.0 -67.9 52.6 44.2 45.5 39 30 A I T 3<5S- 0 0 34 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.557 113.4-129.5 -60.4 -5.0 49.0 44.7 46.8 40 31 A G T < < + 0 0 39 -3,-1.5 2,-0.3 -5,-0.5 -3,-0.2 0.344 55.1 151.8 76.0 -9.2 50.1 42.0 49.3 41 32 A L < - 0 0 44 -5,-0.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.452 28.5-176.4 -59.6 115.2 47.1 39.7 48.9 42 33 A T >> + 0 0 116 -2,-0.3 3,-2.0 2,-0.2 4,-1.5 0.956 60.5 42.6 -97.9 -61.8 49.2 36.6 49.8 43 34 A E H 3> S+ 0 0 81 1,-0.3 4,-2.8 2,-0.2 3,-0.4 0.941 112.0 60.7 -55.2 -46.0 47.7 33.1 49.8 44 35 A I H 3> S+ 0 0 39 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.554 104.9 53.5 -54.2 -6.9 46.1 34.2 46.4 45 36 A A H <> S+ 0 0 14 -3,-2.0 4,-3.9 2,-0.2 -1,-0.2 0.826 109.3 40.7-100.3 -42.7 49.7 34.6 45.3 46 37 A Q H X S+ 0 0 61 -4,-1.5 4,-3.3 -3,-0.4 -2,-0.2 0.988 110.4 59.4 -67.1 -53.1 51.2 31.3 46.2 47 38 A T H < S+ 0 0 41 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.2 0.861 118.8 31.9 -37.4 -53.5 48.1 29.7 44.9 48 39 A L H >< S+ 0 0 32 -4,-0.6 3,-1.0 -5,-0.3 -2,-0.2 0.990 113.4 60.4 -66.6 -64.5 49.0 31.4 41.6 49 40 A K H 3< S+ 0 0 100 -4,-3.9 2,-0.4 1,-0.3 -2,-0.2 0.756 110.7 44.7 -27.4 -46.7 52.8 31.3 42.0 50 41 A Q T 3< S+ 0 0 86 -4,-3.3 2,-0.3 -5,-0.1 -1,-0.3 -0.456 84.6 110.5-113.2 60.4 52.6 27.5 42.1 51 42 A V < - 0 0 57 -3,-1.0 2,-1.0 -2,-0.4 3,-0.1 -0.980 69.5-110.4-130.7 150.0 50.3 26.1 39.4 52 43 A D >> - 0 0 106 -2,-0.3 4,-2.8 1,-0.2 3,-0.7 -0.640 27.3-153.8 -77.0 108.8 50.8 24.1 36.2 53 44 A I H 3> S+ 0 0 62 -2,-1.0 4,-2.6 1,-0.3 5,-0.3 0.860 92.2 57.8 -49.1 -50.8 50.0 26.6 33.5 54 45 A E H 3> S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.912 113.0 39.3 -45.4 -50.9 49.0 23.9 31.1 55 46 A A H <> S+ 0 0 47 -3,-0.7 4,-1.9 1,-0.2 5,-0.2 0.919 109.3 60.3 -74.3 -37.5 46.4 22.6 33.5 56 47 A L H X S+ 0 0 18 -4,-2.8 4,-2.5 1,-0.3 3,-0.4 0.924 107.5 46.4 -51.3 -50.8 45.4 26.0 34.6 57 48 A Q H X S+ 0 0 38 -4,-2.6 4,-4.2 1,-0.2 5,-0.3 0.927 105.4 60.7 -50.8 -49.7 44.4 26.8 31.0 58 49 A V H X S+ 0 0 91 -4,-1.7 4,-2.4 1,-0.3 -1,-0.2 0.809 108.4 40.9 -59.6 -39.6 42.6 23.7 30.7 59 50 A E H X S+ 0 0 30 -4,-1.9 4,-5.0 -3,-0.4 5,-0.4 0.960 112.2 56.4 -67.8 -53.2 40.1 24.4 33.5 60 51 A Y H X>S+ 0 0 12 -4,-2.5 4,-2.2 1,-0.3 5,-0.7 0.927 113.2 42.3 -41.3 -54.7 39.9 27.9 32.3 61 52 A T H <>S+ 0 0 42 -4,-4.2 5,-2.0 1,-0.2 4,-0.3 0.872 113.7 49.0 -64.7 -38.9 38.9 26.4 29.0 62 53 A S H <5S+ 0 0 64 -4,-2.4 6,-0.3 -5,-0.3 -1,-0.2 0.937 119.7 42.1 -67.8 -34.8 36.7 23.7 30.5 63 54 A L H <5S+ 0 0 1 -4,-5.0 10,-2.3 8,-0.1 -2,-0.2 0.730 134.7 4.2 -76.4 -30.4 35.0 26.5 32.5 64 55 A F T <5S+ 0 0 10 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.1 0.724 125.3 42.9-133.7 -42.2 34.7 29.3 30.2 65 56 A I T -A 113 0A 34 -2,-1.4 4,-2.4 37,-0.3 37,-0.3 -0.995 66.1-139.7-137.7 133.8 29.6 37.5 30.1 77 68 A Q H > S+ 0 0 10 35,-1.7 4,-0.9 -2,-0.4 5,-0.2 0.460 103.6 58.4 -81.2 7.2 27.2 39.7 31.7 78 69 A S H >>S+ 0 0 0 3,-0.2 4,-3.4 2,-0.2 5,-1.6 0.884 104.0 46.2 -87.2 -65.4 24.8 39.0 28.9 79 70 A Y H >5S+ 0 0 61 3,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.913 121.0 43.3 -39.9 -53.7 24.7 35.2 29.3 80 71 A F H <5S+ 0 0 48 -4,-2.4 -1,-0.2 -6,-0.2 -3,-0.2 0.954 126.9 28.2 -61.7 -53.0 24.3 35.9 33.0 81 72 A E H <5S+ 0 0 89 -4,-0.9 -2,-0.2 -5,-0.2 -3,-0.2 0.960 139.0 15.9 -68.8 -49.9 21.8 38.8 32.8 82 73 A E H <5S- 0 0 81 -4,-3.4 2,-0.4 2,-0.3 -3,-0.2 0.562 97.0-112.0-114.6 -11.8 20.0 38.0 29.6 83 74 A G S <> S- 0 0 24 -3,-0.3 4,-1.7 -4,-0.0 3,-0.6 -0.202 72.7 -56.6-116.7-155.6 23.4 41.0 24.1 88 79 A K H 3> S+ 0 0 58 1,-0.3 4,-3.5 2,-0.2 5,-0.2 0.917 129.2 60.4 -55.2 -43.7 22.0 44.3 25.5 89 80 A A H 3> S+ 0 0 0 1,-0.2 4,-4.2 2,-0.2 -1,-0.3 0.901 103.2 51.2 -43.0 -52.6 24.6 44.1 28.3 90 81 A S H <> S+ 0 0 9 -3,-0.6 4,-2.2 2,-0.2 5,-0.3 0.936 110.5 46.1 -57.2 -54.5 27.3 44.2 25.7 91 82 A L H X S+ 0 0 71 -4,-1.7 4,-4.2 1,-0.2 5,-0.2 0.978 116.8 47.6 -50.3 -51.5 25.8 47.3 24.0 92 83 A R H X S+ 0 0 122 -4,-3.5 4,-2.8 2,-0.2 -2,-0.2 0.902 110.9 49.6 -60.4 -48.4 25.5 48.8 27.5 93 84 A A H X S+ 0 0 5 -4,-4.2 4,-2.1 -5,-0.2 3,-0.4 0.984 116.5 41.9 -41.8 -71.1 29.0 47.9 28.6 94 85 A A H X S+ 0 0 35 -4,-2.2 4,-2.2 1,-0.3 5,-0.2 0.845 109.5 58.9 -49.5 -47.2 30.4 49.4 25.5 95 86 A E H X S+ 0 0 64 -4,-4.2 4,-2.1 -5,-0.3 -1,-0.3 0.946 111.1 41.9 -48.0 -53.9 28.2 52.4 25.6 96 87 A L H X S+ 0 0 48 -4,-2.8 4,-3.1 -3,-0.4 -1,-0.2 0.796 106.1 60.0 -71.4 -32.3 29.5 53.3 28.9 97 88 A Y H <>S+ 0 0 10 -4,-2.1 5,-2.1 1,-0.2 3,-0.3 0.995 113.0 41.1 -58.2 -54.4 33.1 52.6 28.2 98 89 A S H ><5S+ 0 0 87 -4,-2.2 3,-2.0 1,-0.2 -2,-0.3 0.841 107.9 60.4 -59.0 -36.9 32.8 55.2 25.5 99 90 A K H 3<5S+ 0 0 81 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.934 109.2 45.0 -54.6 -40.9 30.7 57.3 27.9 100 91 A Y T 3<5S- 0 0 109 -4,-3.1 -1,-0.3 -3,-0.3 -2,-0.2 0.315 117.1-123.8 -81.6 11.9 33.9 57.2 30.1 101 92 A G T < 5 + 0 0 63 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.745 63.1 144.7 45.4 27.5 35.8 57.9 26.9 102 93 A L < - 0 0 39 -5,-2.1 2,-0.7 -6,-0.2 -1,-0.2 -0.613 51.2-129.5 -75.5 145.7 37.9 54.8 27.5 103 94 A N - 0 0 144 -2,-0.2 2,-2.0 -3,-0.1 -5,-0.0 -0.854 10.8-143.3-104.2 107.1 38.6 53.4 23.9 104 95 A Y + 0 0 66 -2,-0.7 2,-1.2 1,-0.2 -6,-0.0 -0.337 24.9 175.6 -73.3 86.8 37.7 49.6 23.8 105 96 A V + 0 0 87 -2,-2.0 2,-0.3 0, 0.0 -1,-0.2 -0.014 29.9 134.1 -85.5 40.0 40.4 48.5 21.5 106 97 A Y + 0 0 132 -2,-1.2 -2,-0.0 1,-0.1 0, 0.0 -0.667 32.5 177.4-116.1 159.2 39.6 44.9 21.7 107 98 A E S S+ 0 0 81 -2,-0.3 -1,-0.1 3,-0.1 -3,-0.0 0.892 70.4 39.9-112.0 -86.7 39.2 42.1 19.4 108 99 A S S S+ 0 0 65 2,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.773 108.7 58.5 -39.3 -43.4 38.4 38.5 20.5 109 100 A E S S- 0 0 53 1,-0.1 -3,-0.1 2,-0.0 0, 0.0 -0.664 78.5-117.9-113.4 144.4 35.9 39.4 23.2 110 101 A P > - 0 0 1 0, 0.0 3,-1.2 0, 0.0 6,-0.2 -0.408 35.9-116.3 -65.0 153.0 32.7 41.3 23.7 111 102 A P T 3 S+ 0 0 18 0, 0.0 6,-0.2 0, 0.0 -2,-0.0 0.692 110.2 66.3 -64.6 -22.8 33.0 44.3 26.0 112 103 A D T 3 S+ 0 0 0 4,-0.1 -35,-1.7 -25,-0.1 -22,-0.0 0.532 71.6 118.7 -84.6 -7.1 30.6 42.7 28.5 113 104 A H B X> S-A 76 0A 12 -3,-1.2 4,-2.0 -37,-0.3 3,-0.7 -0.351 73.2-121.9 -43.9 135.3 33.1 39.9 29.4 114 105 A I H 3> S+ 0 0 0 -39,-1.9 4,-2.7 1,-0.3 5,-0.1 0.886 107.0 59.1 -53.1 -50.1 34.1 40.0 33.1 115 106 A S H 3> S+ 0 0 17 -94,-0.4 4,-2.0 -40,-0.3 -1,-0.3 0.882 111.3 42.9 -54.7 -35.5 37.8 40.4 32.6 116 107 A V H <> S+ 0 0 30 -3,-0.7 4,-3.1 2,-0.2 -1,-0.2 0.972 108.7 54.0 -72.3 -51.2 37.2 43.6 30.7 117 108 A E H X S+ 0 0 5 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.854 108.7 55.7 -55.3 -32.3 34.5 45.1 32.9 118 109 A L H X S+ 0 0 0 -4,-2.7 4,-3.5 2,-0.2 5,-0.3 0.988 104.2 47.7 -65.0 -63.3 37.1 44.6 35.6 119 110 A E H < S+ 0 0 48 -4,-2.0 4,-0.4 1,-0.3 -2,-0.2 0.900 114.6 52.2 -36.5 -50.0 39.9 46.6 33.8 120 111 A F H >X S+ 0 0 14 -4,-3.1 4,-2.2 1,-0.2 3,-1.5 0.946 111.5 42.6 -59.1 -47.9 37.2 49.2 33.4 121 112 A L H 3< S+ 0 0 2 -4,-3.0 -1,-0.2 -3,-0.3 -2,-0.2 0.887 104.2 65.6 -69.2 -32.6 36.2 49.2 37.1 122 113 A S T 3< S+ 0 0 21 -4,-3.5 -1,-0.3 1,-0.2 -2,-0.2 0.650 111.2 38.6 -59.8 -12.4 39.9 49.2 38.1 123 114 A X T <4 S+ 0 0 111 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.750 132.8 23.7-103.9 -38.1 39.9 52.6 36.5 124 115 A N >< + 0 0 30 -4,-2.2 3,-0.9 -5,-0.2 -2,-0.2 -0.711 66.5 164.9-128.1 76.0 36.5 53.8 37.7 125 116 A P G > + 0 0 15 0, 0.0 3,-2.6 0, 0.0 4,-0.3 0.697 62.5 84.1 -69.0 -20.2 35.8 51.8 40.8 126 117 A E G > S+ 0 0 113 1,-0.3 3,-0.9 2,-0.1 4,-0.1 0.941 88.6 56.7 -38.9 -52.1 33.0 54.2 41.7 127 118 A L G X> S+ 0 0 28 -3,-0.9 4,-1.4 1,-0.2 3,-1.0 0.285 72.5 98.0 -77.3 14.5 30.8 52.1 39.4 128 119 A L H <> S+ 0 0 15 -3,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.967 70.7 71.2 -59.8 -47.2 31.4 48.8 41.1 129 120 A S H <4 S+ 0 0 67 -3,-0.9 -1,-0.2 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