==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 18-NOV-97 1AZL . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS SUBSP. . AUTHOR M.A.WALSH,A.MCCARTHY,P.A.O'FARRELL,G.VOORDOUW,T.HIGGINS, . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 8 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 1 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 2 0 2 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 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 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 P 0 0 84 0, 0.0 30,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 152.0 22.0 26.2 1.6 2 3 A K E -a 31 0A 70 28,-0.2 48,-1.7 46,-0.1 49,-1.4 -0.955 360.0-165.1-109.9 129.7 19.5 23.9 3.4 3 4 A A E -ab 32 51A 0 28,-3.2 30,-2.3 -2,-0.5 2,-0.4 -0.912 8.6-156.2-116.8 141.0 16.6 25.5 5.3 4 5 A L E -ab 33 52A 0 47,-2.6 49,-2.7 -2,-0.4 2,-0.4 -0.967 9.0-170.2-112.2 128.3 14.3 23.8 8.0 5 6 A I E -ab 34 53A 0 28,-2.6 30,-2.9 -2,-0.4 2,-0.4 -0.997 4.9-178.3-117.2 124.9 10.8 25.4 8.5 6 7 A V E -ab 35 54A 0 47,-2.1 49,-2.4 -2,-0.4 2,-0.3 -0.995 8.3-180.0-122.8 126.2 8.8 24.1 11.5 7 8 A Y E -ab 36 55A 20 28,-1.7 30,-3.2 -2,-0.4 2,-0.5 -0.940 25.0-155.3-128.4 150.4 5.3 25.4 12.1 8 9 A G E + b 0 56A 0 47,-1.9 49,-0.9 -2,-0.3 2,-0.4 -0.994 30.3 165.8-117.5 122.0 2.4 24.9 14.6 9 10 A S + 0 0 16 -2,-0.5 -2,-0.0 47,-0.2 47,-0.0 -0.999 23.3 178.3-144.1 136.0 -1.0 25.8 13.0 10 11 A T S S+ 0 0 84 -2,-0.4 -1,-0.1 58,-0.0 0, 0.0 0.791 90.0 25.0-103.9 -44.6 -4.6 25.0 14.1 11 12 A T S S- 0 0 97 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.356 113.5-102.1-104.1 4.1 -6.7 26.7 11.5 12 13 A G S > S+ 0 0 15 4,-0.0 4,-2.2 3,-0.0 5,-0.2 0.443 90.9 110.0 97.8 -3.6 -4.2 26.6 8.6 13 14 A N H > S+ 0 0 43 2,-0.2 4,-2.0 1,-0.2 -4,-0.1 0.941 83.7 39.9 -74.5 -48.2 -3.0 30.2 8.6 14 15 A T H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.830 115.4 54.9 -68.6 -31.0 0.5 29.7 9.9 15 16 A E H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.951 108.5 47.0 -66.9 -44.3 0.8 26.6 7.7 16 17 A Y H X S+ 0 0 46 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.893 112.7 51.4 -59.8 -40.8 -0.2 28.6 4.6 17 18 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.946 109.1 49.2 -62.2 -47.3 2.4 31.2 5.7 18 19 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.909 111.4 50.0 -56.7 -50.2 5.1 28.4 6.1 19 20 A E H X S+ 0 0 99 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.865 109.7 51.3 -59.2 -37.1 4.3 27.1 2.6 20 21 A T H X S+ 0 0 19 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.918 112.8 43.7 -66.8 -45.5 4.6 30.6 1.1 21 22 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.935 110.2 57.6 -66.0 -44.3 8.0 31.2 2.7 22 23 A A H X S+ 0 0 16 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.916 108.2 46.8 -53.6 -46.7 9.1 27.6 1.7 23 24 A R H X S+ 0 0 170 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.921 109.3 53.0 -63.2 -47.0 8.4 28.4 -2.0 24 25 A E H X S+ 0 0 27 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.928 113.4 43.9 -55.3 -48.7 10.2 31.8 -1.9 25 26 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 3,-0.5 0.916 113.2 51.5 -64.5 -40.8 13.3 30.1 -0.5 26 27 A A H ><5S+ 0 0 49 -4,-2.4 3,-1.2 -5,-0.3 -2,-0.2 0.886 108.1 50.8 -65.1 -37.8 13.1 27.2 -3.0 27 28 A D H 3<5S+ 0 0 121 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.654 108.2 54.7 -73.6 -18.0 12.8 29.6 -6.0 28 29 A A T 3<5S- 0 0 42 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.373 129.4 -97.3 -95.4 -0.6 15.9 31.3 -4.7 29 30 A G T < 5S+ 0 0 58 -3,-1.2 -3,-0.2 1,-0.3 2,-0.2 0.506 75.3 135.8 96.8 3.7 17.8 28.0 -4.7 30 31 A Y < - 0 0 26 -5,-2.5 2,-0.6 -8,-0.1 -1,-0.3 -0.499 55.8-124.3 -82.7 160.7 17.6 26.6 -1.1 31 32 A E E -a 2 0A 132 -30,-2.6 -28,-3.2 -2,-0.2 2,-0.4 -0.900 38.6-164.3 -99.4 121.7 16.9 23.1 -0.3 32 33 A V E -a 3 0A 41 -2,-0.6 2,-0.5 -30,-0.2 -28,-0.2 -0.953 22.0-169.4-121.8 134.1 13.9 23.4 2.1 33 34 A D E -a 4 0A 62 -30,-2.3 -28,-2.6 -2,-0.4 2,-0.5 -0.989 14.4-166.8-120.1 116.0 12.4 20.8 4.4 34 35 A S E +a 5 0A 48 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.908 11.6 178.0-111.9 122.7 9.0 22.0 5.8 35 36 A R E -a 6 0A 78 -30,-2.9 -28,-1.7 -2,-0.5 2,-0.3 -0.985 32.7-122.7-132.4 140.7 7.5 20.2 8.8 36 37 A D E > -a 7 0A 47 -2,-0.4 3,-1.9 -30,-0.2 4,-0.2 -0.574 27.6-131.2 -71.1 134.0 4.5 20.4 11.0 37 38 A A G > S+ 0 0 7 -30,-3.2 3,-1.4 -2,-0.3 -29,-0.2 0.799 103.8 71.3 -56.5 -31.0 5.6 20.7 14.7 38 39 A A G 3 S+ 0 0 63 -31,-0.4 -1,-0.3 1,-0.2 -30,-0.1 0.761 102.8 42.9 -61.0 -19.6 3.2 17.8 15.6 39 40 A S G < S+ 0 0 88 -3,-1.9 2,-0.3 2,-0.0 -1,-0.2 0.363 95.8 88.7-109.8 7.9 5.5 15.4 13.8 40 41 A V < - 0 0 21 -3,-1.4 2,-0.4 -4,-0.2 33,-0.0 -0.751 61.5-139.3-109.4 162.9 9.0 16.3 14.8 41 42 A E - 0 0 161 -2,-0.3 32,-0.0 2,-0.1 -2,-0.0 -0.942 16.0-138.6-109.6 130.1 11.3 15.2 17.7 42 43 A A S > S+ 0 0 13 -2,-0.4 3,-2.4 2,-0.1 4,-0.3 0.833 70.1 106.2 -62.6 -40.1 13.3 18.1 19.4 43 44 A G T 3 S- 0 0 49 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.239 107.5 -21.8 -48.4 105.8 16.6 16.1 19.8 44 45 A G T > S+ 0 0 34 35,-2.8 3,-1.6 -2,-0.2 -1,-0.3 0.688 89.6 148.3 65.0 21.2 19.2 17.3 17.2 45 46 A L T < S+ 0 0 15 -3,-2.4 36,-0.1 1,-0.3 -2,-0.1 0.858 71.0 44.5 -58.5 -36.5 16.3 18.7 15.0 46 47 A F T > S+ 0 0 0 34,-2.2 3,-1.9 -4,-0.3 -1,-0.3 0.497 81.4 129.0 -84.8 -8.3 18.4 21.6 13.7 47 48 A E T < S+ 0 0 128 -3,-1.6 3,-0.1 33,-0.3 34,-0.1 -0.248 78.0 9.4 -55.0 126.9 21.6 19.5 13.0 48 49 A G T 3 S+ 0 0 50 1,-0.3 2,-0.4 2,-0.0 -1,-0.3 0.438 96.7 122.0 88.6 -2.3 22.9 20.1 9.5 49 50 A F < - 0 0 13 -3,-1.9 -1,-0.3 1,-0.1 37,-0.2 -0.775 47.8-159.9 -99.2 135.1 20.6 23.0 8.6 50 51 A D S S+ 0 0 83 -48,-1.7 36,-0.5 -2,-0.4 2,-0.3 0.789 82.5 21.6 -77.6 -28.8 22.0 26.4 7.5 51 52 A L E -b 3 0A 0 -49,-1.4 -47,-2.6 34,-0.1 2,-0.4 -0.995 65.0-166.1-141.6 136.7 18.8 28.3 8.3 52 53 A V E -bc 4 87A 0 34,-2.0 36,-1.6 -2,-0.3 2,-0.5 -0.992 2.8-168.4-126.1 129.2 15.9 27.4 10.6 53 54 A L E -bc 5 88A 0 -49,-2.7 -47,-2.1 -2,-0.4 2,-0.4 -0.979 7.7-167.6-118.9 125.0 12.5 29.3 10.5 54 55 A L E +bc 6 89A 0 34,-2.1 36,-2.0 -2,-0.5 2,-0.3 -0.956 9.0 175.8-120.2 137.7 10.1 28.7 13.3 55 56 A G E +bc 7 90A 0 -49,-2.4 -47,-1.9 -2,-0.4 2,-0.3 -0.986 7.2 154.9-141.8 152.2 6.5 29.7 13.3 56 57 A C E -b 8 0A 0 34,-1.7 -47,-0.2 -2,-0.3 48,-0.1 -0.980 34.2-112.1-169.2 156.5 3.3 29.4 15.3 57 58 A S - 0 0 11 -49,-0.9 10,-1.2 -2,-0.3 2,-0.4 -0.389 31.5-121.6 -90.5 165.1 -0.0 31.0 16.1 58 59 A T B -F 66 0B 26 34,-0.9 2,-0.4 8,-0.2 8,-0.2 -0.906 22.0-171.9-112.4 139.7 -0.9 32.7 19.5 59 60 A W - 0 0 112 6,-2.8 5,-0.0 -2,-0.4 34,-0.0 -0.965 32.7-112.4-131.0 114.3 -3.9 31.5 21.6 60 61 A V + 0 0 112 -2,-0.4 2,-0.3 2,-0.1 4,-0.1 -0.046 55.7 147.7 -47.2 129.5 -4.9 33.6 24.7 61 62 A D - 0 0 83 2,-0.1 4,-0.1 1,-0.1 -2,-0.0 -0.974 54.6-122.2-162.7 157.2 -4.2 31.5 27.9 62 63 A D S S+ 0 0 169 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.618 107.7 19.5 -81.3 -19.3 -3.1 32.0 31.5 63 64 A S S S+ 0 0 109 1,-0.3 2,-0.4 0, 0.0 -2,-0.1 0.735 132.1 7.8-112.6 -57.9 0.0 29.8 31.4 64 65 A I - 0 0 52 2,-0.1 -1,-0.3 -4,-0.1 -2,-0.1 -0.985 46.7-170.2-139.3 122.7 1.2 29.4 27.7 65 66 A E + 0 0 51 -2,-0.4 -6,-2.8 -4,-0.1 38,-0.2 0.278 50.5 115.9 -91.9 5.8 -0.1 31.1 24.6 66 67 A L B S-F 58 0B 7 -8,-0.2 -8,-0.2 1,-0.1 5,-0.1 -0.461 80.3 -93.7 -75.0 151.0 1.7 29.0 22.0 67 68 A Q >> - 0 0 4 -10,-1.2 3,-1.3 -2,-0.1 4,-1.0 -0.356 43.4-114.2 -59.0 137.4 -0.3 26.8 19.6 68 69 A D T 34 S+ 0 0 127 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.740 110.3 54.8 -52.7 -39.6 -0.5 23.2 21.1 69 70 A D T 34 S+ 0 0 61 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.753 109.1 51.1 -67.7 -28.0 1.5 21.2 18.6 70 71 A F T <> S+ 0 0 0 -3,-1.3 4,-2.4 1,-0.2 3,-0.4 0.724 88.7 81.1 -83.9 -21.1 4.4 23.6 19.1 71 72 A I H X S+ 0 0 31 -4,-1.0 4,-3.1 -3,-0.3 5,-0.2 0.876 88.1 52.4 -56.3 -47.2 4.6 23.5 22.9 72 73 A P H > S+ 0 0 84 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.887 114.1 44.9 -56.3 -39.9 6.6 20.2 23.2 73 74 A L H >4 S+ 0 0 7 -3,-0.4 3,-1.0 -4,-0.4 -2,-0.2 0.942 113.3 49.7 -67.6 -49.7 9.2 21.6 20.8 74 75 A F H >< S+ 0 0 28 -4,-2.4 3,-1.3 1,-0.3 4,-0.2 0.904 108.5 53.0 -56.9 -45.4 9.3 24.9 22.6 75 76 A D H 3< S+ 0 0 89 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.697 117.8 37.6 -68.7 -15.7 9.7 23.1 25.9 76 77 A S T X< S+ 0 0 34 -3,-1.0 3,-2.1 -4,-0.8 -1,-0.3 -0.005 75.2 124.1-118.9 25.4 12.7 21.2 24.5 77 78 A L G X + 0 0 0 -3,-1.3 3,-1.7 1,-0.3 5,-0.4 0.782 64.7 69.1 -60.9 -26.4 14.3 23.9 22.4 78 79 A E G 3 S+ 0 0 109 1,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.591 97.5 51.5 -69.9 -8.7 17.6 23.5 24.3 79 80 A E G < S+ 0 0 110 -3,-2.1 -35,-2.8 1,-0.1 -1,-0.3 0.347 88.6 82.9-103.2 3.8 18.1 20.1 22.7 80 81 A T S < S- 0 0 0 -3,-1.7 -34,-2.2 -37,-0.2 -33,-0.3 0.668 104.8-105.6 -84.6 -17.6 17.6 21.2 19.1 81 82 A G + 0 0 23 -4,-0.4 -3,-0.1 -3,-0.1 -2,-0.1 0.788 66.0 149.4 96.3 37.4 21.1 22.5 18.3 82 83 A A > + 0 0 5 -5,-0.4 3,-2.4 2,-0.1 35,-0.3 0.699 28.2 111.1 -79.0 -21.7 20.2 26.2 18.4 83 84 A Q T 3 S- 0 0 168 1,-0.3 33,-0.2 -5,-0.1 32,-0.2 -0.343 98.5 -2.8 -59.4 128.4 23.5 27.6 19.7 84 85 A G T 3 S+ 0 0 62 31,-2.5 2,-0.3 1,-0.2 -1,-0.3 0.588 99.9 141.3 67.8 12.1 25.1 29.6 16.8 85 86 A R < - 0 0 42 -3,-2.4 32,-3.2 30,-0.1 2,-0.5 -0.676 57.0-123.2 -87.5 140.1 22.2 28.7 14.5 86 87 A K E + d 0 117A 63 -36,-0.5 -34,-2.0 -2,-0.3 2,-0.3 -0.736 47.9 166.4 -78.7 115.3 20.9 31.3 12.0 87 88 A V E -cd 52 118A 0 30,-2.6 32,-2.3 -2,-0.5 33,-0.5 -0.931 23.9-177.7-134.4 159.8 17.1 31.5 12.9 88 89 A A E -c 53 0A 0 -36,-1.6 -34,-2.1 -2,-0.3 2,-0.3 -0.968 16.5-145.5-151.4 151.1 14.0 33.8 12.2 89 90 A C E +c 54 0A 0 31,-0.4 34,-2.0 -2,-0.3 2,-0.3 -0.853 15.8 175.6-124.2 159.0 10.4 33.4 13.5 90 91 A F E +ce 55 123A 0 -36,-2.0 -34,-1.7 -2,-0.3 2,-0.3 -0.942 5.0 165.3-151.9 164.0 7.0 34.1 12.1 91 92 A G E - e 0 124A 0 32,-1.6 34,-2.4 -2,-0.3 2,-0.3 -0.947 29.2-121.1-174.3 158.1 3.4 33.6 13.3 92 93 A C E + e 0 125A 6 -2,-0.3 -34,-0.9 32,-0.2 2,-0.2 -0.826 42.6 137.8-106.5 154.1 -0.2 34.7 12.6 93 94 A G E - e 0 126A 21 32,-2.7 34,-1.8 -2,-0.3 2,-0.3 -0.830 46.2 -93.9-165.5-157.1 -2.5 36.4 15.1 94 95 A D > - 0 0 67 -2,-0.2 3,-1.7 32,-0.2 7,-0.2 -0.962 12.7-144.1-149.4 124.4 -5.0 39.1 15.6 95 96 A S T 3 S+ 0 0 72 -2,-0.3 5,-0.1 1,-0.3 -1,-0.1 0.440 94.3 78.0 -68.8 -4.0 -4.4 42.7 16.7 96 97 A S T 3 S+ 0 0 93 3,-0.1 -1,-0.3 -3,-0.0 2,-0.3 0.593 85.8 79.7 -76.7 -14.7 -7.7 42.7 18.6 97 98 A Y S < S- 0 0 121 -3,-1.7 3,-0.4 1,-0.1 -4,-0.0 -0.658 85.2-128.4 -94.1 150.3 -5.9 40.7 21.3 98 99 A E S S+ 0 0 162 1,-0.3 2,-1.4 -2,-0.3 -1,-0.1 0.937 106.0 50.7 -63.3 -47.9 -3.6 42.2 23.8 99 100 A Y S > S- 0 0 134 -3,-0.0 3,-1.5 -5,-0.0 2,-0.4 -0.696 83.6-164.1 -92.5 77.9 -0.7 39.9 23.1 100 101 A F T 3 S- 0 0 65 -2,-1.4 -5,-0.1 -3,-0.4 -7,-0.1 -0.514 76.5 -19.0 -66.2 115.8 -0.6 40.3 19.3 101 102 A C T >> S+ 0 0 1 -2,-0.4 3,-1.4 -7,-0.2 4,-1.0 0.840 86.6 162.0 52.2 37.8 1.5 37.4 17.9 102 103 A G H <> + 0 0 15 -3,-1.5 4,-2.3 1,-0.3 5,-0.2 0.783 63.6 68.7 -58.4 -30.6 2.9 37.0 21.4 103 104 A A H 3> S+ 0 0 0 -4,-0.2 4,-2.2 -38,-0.2 -1,-0.3 0.889 96.2 55.5 -57.7 -36.4 4.1 33.4 20.5 104 105 A V H <> S+ 0 0 0 -3,-1.4 4,-2.6 2,-0.2 5,-0.2 0.939 108.7 46.6 -64.0 -45.6 6.7 35.1 18.1 105 106 A D H X S+ 0 0 82 -4,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.907 112.0 51.3 -61.9 -40.9 8.1 37.1 21.0 106 107 A A H X S+ 0 0 32 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.904 112.4 44.5 -61.4 -47.6 8.2 34.1 23.2 107 108 A I H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.927 113.4 51.2 -68.2 -44.1 10.1 31.9 20.7 108 109 A E H X S+ 0 0 12 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.915 110.3 48.8 -61.2 -44.2 12.5 34.8 19.8 109 110 A E H X S+ 0 0 116 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.897 112.8 46.2 -64.5 -44.1 13.4 35.4 23.4 110 111 A K H X S+ 0 0 47 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.913 112.4 50.4 -66.9 -40.8 14.0 31.7 24.2 111 112 A L H <>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 3,-0.3 0.919 111.2 50.0 -61.4 -42.3 16.2 31.2 21.0 112 113 A K H ><5S+ 0 0 116 -4,-2.3 3,-1.3 -5,-0.2 -2,-0.2 0.916 109.2 51.4 -60.1 -45.1 18.2 34.4 22.0 113 114 A N H 3<5S+ 0 0 124 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.724 109.7 51.2 -62.4 -28.1 18.7 32.9 25.6 114 115 A L T 3<5S- 0 0 50 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.324 123.9-104.1 -91.6 0.5 19.9 29.6 24.0 115 116 A G T < 5 + 0 0 42 -3,-1.3 -31,-2.5 1,-0.2 -3,-0.2 0.697 66.9 149.8 85.4 20.0 22.5 31.4 21.9 116 117 A A < - 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