==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 02-FEB-01 1I1O . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR R.A.REYNOLDS,W.WATT,K.D.WATENPAUGH . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 72.8 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 . 3 2.0 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 . 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 . 23 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 25.9 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 1 0 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 A 0 0 80 0, 0.0 30,-3.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -24.2 -4.7 36.4 25.8 2 3 A K E -a 31 0A 68 28,-0.2 49,-1.6 30,-0.0 48,-1.3 -0.983 360.0-178.1-126.7 129.5 -1.6 36.6 23.5 3 4 A A E -ab 32 51A 0 28,-2.8 30,-2.4 -2,-0.4 2,-0.4 -0.969 12.3-155.9-125.5 137.5 -1.1 34.6 20.3 4 5 A L E -ab 33 52A 0 47,-1.9 49,-2.5 -2,-0.4 2,-0.5 -0.908 6.0-165.4-113.1 132.6 1.8 34.5 17.8 5 6 A I E -ab 34 53A 0 28,-2.5 30,-3.7 -2,-0.4 2,-0.5 -0.998 7.6-175.5-122.9 115.1 1.2 33.4 14.3 6 7 A V E -ab 35 54A 0 47,-2.0 49,-2.8 -2,-0.5 2,-0.4 -0.994 8.9-177.4-116.1 121.1 4.3 32.6 12.3 7 8 A Y E -ab 36 55A 21 28,-2.3 30,-3.1 -2,-0.5 2,-0.5 -0.973 25.0-163.4-135.1 147.6 4.0 31.8 8.6 8 9 A G E + b 0 56A 0 47,-1.7 49,-0.9 -2,-0.4 2,-0.3 -0.985 30.1 158.7-119.0 110.6 6.2 30.7 5.7 9 10 A S - 0 0 14 -2,-0.5 -2,-0.1 47,-0.2 47,-0.0 -0.986 24.8-178.5-144.3 139.0 4.4 31.2 2.3 10 11 A T S S+ 0 0 88 -2,-0.3 -1,-0.1 1,-0.0 0, 0.0 0.836 89.6 25.0-100.5 -46.0 5.6 31.5 -1.3 11 12 A T S S- 0 0 104 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.438 114.5-103.6-101.9 -1.6 2.6 32.1 -3.5 12 13 A G S > S+ 0 0 24 3,-0.0 4,-2.2 4,-0.0 5,-0.1 0.428 88.0 118.5 93.1 7.4 0.6 33.5 -0.7 13 14 A N H > S+ 0 0 61 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.973 82.0 40.8 -63.9 -58.1 -1.7 30.6 0.1 14 15 A T H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.804 112.1 57.7 -59.1 -37.6 -0.5 30.1 3.7 15 16 A E H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.971 106.4 47.6 -60.7 -49.8 -0.4 33.8 4.3 16 17 A Y H X S+ 0 0 43 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.866 113.5 50.4 -55.3 -41.7 -4.1 34.2 3.4 17 18 A T H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 3,-0.5 0.915 108.3 50.8 -62.2 -47.6 -4.7 31.2 5.8 18 19 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.882 111.1 48.0 -58.2 -44.9 -2.8 32.8 8.7 19 20 A E H X S+ 0 0 90 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.688 108.0 54.5 -73.7 -22.8 -4.6 36.1 8.4 20 21 A T H X S+ 0 0 18 -4,-1.0 4,-1.4 -3,-0.5 -2,-0.2 0.884 110.1 48.5 -71.3 -43.9 -8.0 34.4 8.3 21 22 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.883 108.7 52.8 -59.8 -48.4 -7.1 32.6 11.5 22 23 A A H X S+ 0 0 9 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.869 104.8 53.6 -59.6 -45.0 -5.9 35.8 13.2 23 24 A R H X S+ 0 0 173 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.864 108.6 53.3 -54.8 -40.7 -9.2 37.7 12.5 24 25 A E H X S+ 0 0 26 -4,-1.4 4,-1.3 1,-0.2 -2,-0.2 0.951 113.6 40.3 -61.1 -48.7 -10.9 34.8 14.2 25 26 A L H <>S+ 0 0 1 -4,-2.1 5,-2.6 2,-0.2 4,-0.3 0.819 112.8 53.2 -69.7 -38.4 -8.7 35.0 17.4 26 27 A A H <5S+ 0 0 54 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.786 109.2 52.4 -68.5 -28.3 -8.8 38.8 17.5 27 28 A D H <5S+ 0 0 112 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.824 104.2 54.4 -73.4 -39.3 -12.5 38.6 17.4 28 29 A A T <5S- 0 0 48 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.488 129.3 -95.1 -73.5 -7.8 -12.7 36.1 20.2 29 30 A G T 5S+ 0 0 64 -3,-0.4 -3,-0.2 1,-0.3 2,-0.2 0.417 78.8 136.0 106.5 3.4 -10.7 38.6 22.4 30 31 A Y < - 0 0 46 -5,-2.6 2,-0.6 -8,-0.1 -1,-0.3 -0.533 56.8-122.6 -79.3 154.8 -7.1 37.4 22.0 31 32 A E E -a 2 0A 117 -30,-3.9 -28,-2.8 -2,-0.2 2,-0.4 -0.862 40.1-158.9 -94.5 121.1 -4.2 39.8 21.4 32 33 A V E -a 3 0A 42 -2,-0.6 2,-0.4 -30,-0.2 -28,-0.2 -0.867 23.6-172.6-113.9 146.0 -2.6 38.7 18.1 33 34 A D E -a 4 0A 57 -30,-2.4 -28,-2.5 -2,-0.4 2,-0.5 -0.971 10.0-165.1-134.4 115.6 0.7 39.1 16.5 34 35 A S E -a 5 0A 36 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.930 13.0-179.9-105.5 129.9 1.2 37.8 12.9 35 36 A R E -a 6 0A 76 -30,-3.7 -28,-2.3 -2,-0.5 2,-0.3 -0.978 29.0-128.7-136.3 135.7 4.8 37.4 11.5 36 37 A D E > -a 7 0A 43 -2,-0.4 3,-1.9 -30,-0.2 4,-0.4 -0.587 25.6-130.7 -74.6 131.1 6.4 36.3 8.3 37 38 A A G > S+ 0 0 5 -30,-3.1 3,-1.4 -2,-0.3 -29,-0.2 0.839 107.5 67.1 -53.6 -35.4 9.0 33.6 9.1 38 39 A A G 3 S+ 0 0 64 -31,-0.4 -1,-0.3 1,-0.3 -30,-0.1 0.820 102.0 48.6 -54.6 -33.0 11.4 35.7 6.8 39 40 A S G < S+ 0 0 87 -3,-1.9 -1,-0.3 2,-0.0 2,-0.2 0.505 100.5 73.4 -89.3 -6.6 11.2 38.4 9.5 40 41 A V < - 0 0 25 -3,-1.4 2,-0.4 -4,-0.4 33,-0.0 -0.609 60.3-141.4-114.3 167.0 11.9 36.6 12.8 41 42 A E - 0 0 174 -2,-0.2 32,-0.0 2,-0.1 -2,-0.0 -0.979 20.5-128.5-129.1 137.5 14.7 35.0 14.6 42 43 A A S > S+ 0 0 13 -2,-0.4 3,-1.4 2,-0.1 2,-0.5 0.675 71.6 109.0 -53.9 -30.6 14.5 31.8 16.6 43 44 A G T 3 S- 0 0 60 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.407 107.6 -25.9 -64.8 107.4 16.0 32.9 20.0 44 45 A G T > S+ 0 0 32 35,-2.8 3,-0.7 -2,-0.5 -1,-0.3 0.746 85.9 153.1 57.1 40.1 13.1 33.1 22.5 45 46 A L T < + 0 0 10 -3,-1.4 36,-0.1 1,-0.2 -2,-0.1 0.848 69.5 51.7 -64.4 -34.7 10.5 33.6 19.8 46 47 A F T > S+ 0 0 0 34,-2.3 3,-2.0 -4,-0.3 -1,-0.2 0.639 80.4 126.8 -81.3 -15.4 7.7 32.1 21.8 47 48 A E T < S+ 0 0 135 -3,-0.7 3,-0.1 33,-0.6 34,-0.0 -0.193 74.7 13.8 -53.0 125.2 8.4 34.2 24.9 48 49 A G T 3 S+ 0 0 48 1,-0.2 2,-0.5 2,-0.0 -1,-0.3 0.367 98.6 117.4 90.8 8.2 5.4 36.0 26.2 49 50 A F < - 0 0 8 -3,-2.0 -1,-0.2 1,-0.1 -46,-0.2 -0.901 49.3-162.2-111.0 131.9 2.8 34.1 24.2 50 51 A D S S+ 0 0 90 -48,-1.3 36,-0.5 -2,-0.5 2,-0.3 0.760 84.5 17.9 -75.6 -32.1 -0.1 31.9 25.6 51 52 A L E -b 3 0A 0 -49,-1.6 -47,-1.9 34,-0.1 2,-0.4 -0.987 64.6-160.0-145.6 141.3 -0.6 30.2 22.2 52 53 A V E -bc 4 87A 0 34,-2.3 36,-1.3 -2,-0.3 2,-0.5 -0.978 0.8-167.2-124.0 133.2 1.5 29.8 19.0 53 54 A L E -bc 5 88A 0 -49,-2.5 -47,-2.0 -2,-0.4 2,-0.4 -0.981 10.0-169.0-117.1 120.2 0.2 28.8 15.5 54 55 A L E -bc 6 89A 0 34,-2.1 36,-1.8 -2,-0.5 2,-0.4 -0.984 6.1-177.2-113.5 126.8 3.0 27.8 13.0 55 56 A G E +bc 7 90A 0 -49,-2.8 -47,-1.7 -2,-0.4 2,-0.3 -0.975 6.2 165.9-129.5 144.6 2.1 27.5 9.3 56 57 A C E -b 8 0A 0 34,-1.7 48,-0.2 -2,-0.4 2,-0.2 -0.994 29.0-127.2-152.5 148.1 4.2 26.4 6.3 57 58 A S - 0 0 10 -49,-0.9 10,-0.9 -2,-0.3 2,-0.4 -0.534 30.2-121.0 -89.2 163.8 3.9 25.3 2.7 58 59 A T E +F 66 0B 31 34,-0.8 8,-0.2 -2,-0.2 2,-0.1 -0.922 38.5 155.8-113.4 132.5 5.5 22.0 1.4 59 60 A W E +F 65 0B 105 6,-3.4 6,-1.6 -2,-0.4 8,-0.1 -0.364 7.5 124.4-131.2-158.4 8.0 21.8 -1.4 60 61 A G - 0 0 31 4,-0.2 4,-0.1 -2,-0.1 5,-0.1 0.202 44.9-132.6 102.9 138.8 10.9 19.6 -2.7 61 62 A D S S+ 0 0 162 3,-0.1 3,-0.1 1,-0.1 -1,-0.1 0.872 102.9 0.4 -83.7 -48.8 11.6 17.9 -6.0 62 63 A D S S+ 0 0 161 1,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.084 133.8 33.2-129.5 10.4 12.5 14.4 -4.7 63 64 A S S S- 0 0 84 -4,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.935 93.1 -84.6-158.7 165.3 12.1 14.8 -0.9 64 65 A I + 0 0 76 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.2 -0.760 50.3 177.9 -82.2 128.0 9.9 16.7 1.5 65 66 A E E -F 59 0B 90 -6,-1.6 -6,-3.4 -2,-0.5 38,-0.2 -0.956 23.1-127.3-129.9 152.6 11.1 20.2 2.1 66 67 A L E -F 58 0B 14 -2,-0.3 -8,-0.2 -8,-0.2 -6,-0.1 -0.373 46.0 -76.8 -87.9 159.7 9.8 23.1 4.1 67 68 A Q >> - 0 0 5 -10,-0.9 4,-1.4 -59,-0.1 3,-1.1 -0.386 46.2-116.6 -63.6 139.0 9.3 26.7 2.8 68 69 A D T 34 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.772 112.1 51.1 -42.7 -51.6 12.5 28.6 2.5 69 70 A D T 34 S+ 0 0 61 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.735 110.4 51.6 -61.0 -32.2 11.7 31.3 5.1 70 71 A F T X> S+ 0 0 0 -3,-1.1 4,-2.4 1,-0.2 3,-1.0 0.816 87.3 81.8 -79.6 -38.6 10.7 28.6 7.6 71 72 A I H 3X S+ 0 0 53 -4,-1.4 4,-3.1 1,-0.3 -1,-0.2 0.785 89.7 50.6 -35.2 -54.4 13.9 26.4 7.5 72 73 A P H 3> S+ 0 0 78 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.885 114.1 46.1 -57.9 -43.0 16.0 28.5 9.8 73 74 A L H X4 S+ 0 0 6 -3,-1.0 3,-0.5 -4,-0.4 -2,-0.2 0.928 113.1 48.3 -64.9 -48.7 13.2 28.5 12.4 74 75 A F H >< S+ 0 0 47 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.906 109.2 55.5 -54.6 -48.7 12.6 24.8 12.0 75 76 A D H 3< S+ 0 0 108 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.726 117.5 33.2 -55.1 -38.0 16.4 24.2 12.4 76 77 A S T X< S+ 0 0 36 -4,-1.2 3,-2.3 -3,-0.5 -1,-0.3 -0.092 73.8 130.1-114.0 28.4 16.6 26.1 15.7 77 78 A L G X + 0 0 0 -3,-1.5 3,-1.2 1,-0.3 5,-0.3 0.682 64.5 71.9 -56.8 -20.7 13.2 25.2 17.1 78 79 A E G 3 S+ 0 0 154 1,-0.3 3,-0.3 -3,-0.2 -1,-0.3 0.761 95.8 52.0 -67.7 -23.6 15.0 24.1 20.3 79 80 A E G < S+ 0 0 104 -3,-2.3 -35,-2.8 1,-0.2 -1,-0.3 0.420 87.6 81.5 -95.4 3.1 15.7 27.8 21.1 80 81 A T S < S- 0 0 0 -3,-1.2 -34,-2.3 -37,-0.2 -33,-0.6 0.733 103.5-105.0 -83.5 -23.8 12.2 29.2 20.8 81 82 A G + 0 0 25 -4,-0.3 -2,-0.1 -3,-0.3 -3,-0.1 0.807 67.0 147.4 95.4 48.6 10.8 28.3 24.2 82 83 A A > + 0 0 6 -5,-0.3 3,-2.0 -4,-0.2 2,-0.3 0.664 26.7 111.8 -87.2 -24.1 8.6 25.4 23.1 83 84 A Q T 3 S- 0 0 168 1,-0.3 33,-0.3 -5,-0.2 32,-0.2 -0.473 100.8 -5.1 -54.7 119.4 8.7 23.1 26.2 84 85 A G T 3 S+ 0 0 58 31,-3.4 -1,-0.3 -2,-0.3 2,-0.2 0.432 102.2 134.5 72.5 5.6 5.2 23.2 27.7 85 86 A R < - 0 0 48 -3,-2.0 32,-4.2 30,-0.1 2,-0.6 -0.575 59.2-118.8 -86.3 146.3 4.0 25.8 25.2 86 87 A K E + d 0 117A 51 -36,-0.5 -34,-2.3 -2,-0.2 2,-0.3 -0.843 43.8 168.1 -93.0 120.2 0.6 25.3 23.5 87 88 A V E -cd 52 118A 0 30,-2.2 32,-1.9 -2,-0.6 33,-0.5 -0.820 22.5-171.9-129.8 165.2 0.9 25.1 19.8 88 89 A A E -c 53 0A 0 -36,-1.3 -34,-2.1 -2,-0.3 2,-0.3 -0.969 17.4-143.6-156.0 144.3 -1.1 24.2 16.7 89 90 A C E +c 54 0A 2 31,-0.5 34,-2.1 -2,-0.3 2,-0.3 -0.870 18.5 168.8-120.2 158.2 0.1 23.8 13.1 90 91 A F E +ce 55 123A 1 -36,-1.8 -34,-1.7 -2,-0.3 2,-0.3 -0.953 1.9 161.2-158.7 166.4 -1.3 24.5 9.6 91 92 A G E - e 0 124A 0 32,-1.1 34,-2.0 -2,-0.3 2,-0.3 -0.928 31.8-112.0 178.0 160.9 -0.3 24.7 6.0 92 93 A C E + e 0 125A 6 -2,-0.3 -34,-0.8 32,-0.2 2,-0.2 -0.772 44.4 140.3-107.6 149.3 -1.3 24.7 2.3 93 94 A G E - e 0 126A 22 32,-2.0 34,-1.2 -2,-0.3 2,-0.3 -0.843 46.4 -98.9-162.9-167.1 -0.4 21.9 -0.1 94 95 A D > - 0 0 71 -2,-0.2 3,-2.4 32,-0.2 7,-0.1 -0.952 14.6-147.6-144.9 112.6 -1.7 19.8 -3.1 95 96 A S T 3 S+ 0 0 67 -2,-0.3 5,-0.1 1,-0.3 31,-0.0 0.459 90.9 81.9 -62.2 -3.2 -3.1 16.3 -2.6 96 97 A S T 3 S+ 0 0 98 3,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.734 83.4 81.4 -75.9 -15.0 -1.7 15.3 -6.0 97 98 A H S < S- 0 0 120 -3,-2.4 3,-0.3 1,-0.1 -4,-0.0 -0.569 87.6-126.0 -88.8 151.5 1.5 14.8 -4.0 98 99 A E S S+ 0 0 165 1,-0.3 2,-1.0 -2,-0.2 -1,-0.1 0.886 104.9 47.9 -60.4 -49.1 2.3 11.8 -2.0 99 100 A Y S > S- 0 0 139 -5,-0.1 3,-1.7 -3,-0.0 2,-0.5 -0.789 85.2-155.4-100.8 86.8 3.0 13.6 1.2 100 101 A F T 3 S- 0 0 60 -2,-1.0 -5,-0.1 -3,-0.3 -7,-0.1 -0.511 79.5 -11.4 -65.7 110.1 0.0 15.9 1.5 101 102 A C T >> S+ 0 0 1 -2,-0.5 3,-1.3 -7,-0.1 4,-0.7 0.844 81.8 171.9 58.4 44.5 1.1 18.9 3.6 102 103 A G H <> + 0 0 4 -3,-1.7 4,-1.6 1,-0.3 5,-0.1 0.710 68.5 67.7 -51.0 -28.3 4.3 17.0 4.6 103 104 A A H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.925 93.7 58.1 -61.8 -43.2 5.6 20.1 6.3 104 105 A V H <> S+ 0 0 1 -3,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.862 106.3 47.3 -52.7 -48.7 2.9 19.9 8.9 105 106 A D H X S+ 0 0 83 -4,-0.7 4,-3.1 2,-0.2 -1,-0.2 0.840 110.8 52.5 -59.9 -43.4 3.9 16.4 10.1 106 107 A A H X S+ 0 0 32 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.927 113.2 42.6 -62.5 -46.7 7.6 17.5 10.2 107 108 A I H X S+ 0 0 2 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.962 115.7 49.2 -63.9 -52.6 6.9 20.5 12.4 108 109 A E H X S+ 0 0 18 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.904 111.1 49.4 -56.1 -47.4 4.4 18.5 14.6 109 110 A E H X S+ 0 0 127 -4,-3.1 4,-1.3 2,-0.2 -1,-0.2 0.956 112.7 49.3 -57.7 -46.0 6.9 15.7 15.0 110 111 A K H >X S+ 0 0 56 -4,-2.7 4,-1.0 1,-0.2 3,-0.6 0.926 109.6 50.3 -59.5 -49.4 9.6 18.3 16.0 111 112 A L H ><>S+ 0 0 0 -4,-3.0 5,-2.6 1,-0.2 3,-0.6 0.844 106.6 53.2 -56.7 -45.3 7.4 20.1 18.6 112 113 A K H ><5S+ 0 0 114 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.818 106.4 53.9 -60.9 -37.5 6.4 16.9 20.5 113 114 A N H <<5S+ 0 0 126 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.722 106.7 53.0 -62.8 -31.8 10.1 16.0 20.9 114 115 A L T <<5S- 0 0 49 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.495 121.9-109.7 -81.5 -9.6 10.6 19.4 22.4 115 116 A G T < 5 + 0 0 41 -3,-0.7 -31,-3.4 -4,-0.5 -3,-0.2 0.726 63.6 156.9 83.2 26.8 7.8 18.8 24.9 116 117 A A < - 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