==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER (FLAVOPROTEIN) 15-OCT-84 1FX1 . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR K.D.WATENPAUGH,L.C.SIEKER,L.H.JENSEN . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 16.3 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 . 14 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 24.5 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 1 0 0 0 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 1 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 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 . 2 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 P 0 0 83 0, 0.0 30,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-138.2 23.3 -0.6 43.5 2 3 A K E +a 31 0A 97 28,-0.2 48,-2.2 30,-0.0 49,-2.0 -0.947 360.0 176.8-129.2 105.4 22.4 -2.2 40.2 3 4 A A E -ab 32 51A 0 28,-2.4 30,-1.8 -2,-0.5 2,-0.4 -0.780 12.9-151.7-110.2 151.8 22.8 -0.1 37.0 4 5 A L E -ab 33 52A 0 47,-2.1 49,-3.5 -2,-0.3 2,-0.4 -0.954 5.9-166.9-125.9 143.8 22.1 -1.0 33.3 5 6 A I E +ab 34 53A 0 28,-1.4 30,-3.4 -2,-0.4 2,-0.5 -0.982 7.9 175.6-137.7 121.7 23.7 0.3 30.1 6 7 A V E +a 35 0A 0 47,-1.4 49,-0.4 -2,-0.4 2,-0.3 -0.987 15.0 173.5-123.4 129.8 22.5 -0.2 26.7 7 8 A Y - 0 0 27 28,-1.2 2,-0.5 -2,-0.5 31,-0.2 -0.959 28.0-147.0-142.2 157.1 24.2 1.4 24.0 8 9 A G B +e 56 0B 0 47,-1.0 49,-1.5 -2,-0.3 2,-0.5 -0.987 25.2 171.7-126.5 114.7 24.4 1.6 20.2 9 10 A S + 0 0 18 -2,-0.5 -2,-0.1 1,-0.2 47,-0.0 -0.984 18.9 175.7-133.8 122.5 27.7 2.3 18.7 10 11 A T S S+ 0 0 73 -2,-0.5 -1,-0.2 1,-0.0 0, 0.0 0.917 89.8 14.1 -86.7 -60.1 28.5 2.2 15.2 11 12 A T S S- 0 0 101 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.538 111.0-101.8 -99.1 -4.4 32.3 3.4 15.1 12 13 A G S > S+ 0 0 12 -4,-0.0 4,-2.9 3,-0.0 5,-0.3 0.243 92.4 108.6 112.1 -15.8 33.0 3.0 18.9 13 14 A N H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.933 86.5 45.6 -60.6 -44.1 32.8 6.5 20.4 14 15 A T H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.795 113.3 51.9 -69.9 -27.4 29.5 5.8 22.1 15 16 A E H > S+ 0 0 74 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.922 109.2 48.5 -72.1 -47.1 31.0 2.4 23.3 16 17 A Y H X S+ 0 0 44 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.916 110.8 53.1 -54.7 -47.8 34.1 4.1 24.8 17 18 A T H X S+ 0 0 0 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.2 0.871 109.9 46.0 -54.6 -49.1 31.9 6.5 26.4 18 19 A A H X S+ 0 0 2 -4,-1.6 4,-3.3 2,-0.2 -2,-0.2 0.888 110.3 51.3 -67.3 -43.8 29.7 3.8 28.1 19 20 A E H X S+ 0 0 110 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.746 109.2 54.4 -69.2 -18.6 32.6 1.7 29.3 20 21 A T H X S+ 0 0 12 -4,-1.2 4,-1.0 -5,-0.3 -1,-0.3 0.834 110.8 43.6 -79.7 -34.6 34.0 4.8 30.8 21 22 A I H X S+ 0 0 0 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.885 114.1 51.5 -70.8 -46.7 30.8 5.4 32.6 22 23 A A H >X S+ 0 0 12 -4,-3.3 4,-2.3 2,-0.2 3,-1.4 0.993 108.6 48.4 -61.2 -50.8 30.6 1.8 33.6 23 24 A R H 3X S+ 0 0 193 -4,-2.1 4,-1.5 1,-0.3 -1,-0.2 0.852 113.1 50.9 -58.6 -31.8 34.2 1.5 35.1 24 25 A Q H 3< S+ 0 0 52 -4,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.798 112.2 46.3 -77.1 -28.3 33.5 4.7 37.0 25 26 A L H X<>S+ 0 0 2 -3,-1.4 3,-1.9 -4,-1.3 5,-1.2 0.962 113.8 45.4 -74.4 -57.1 30.2 3.3 38.4 26 27 A A H ><5S+ 0 0 44 -4,-2.3 3,-2.5 1,-0.3 -2,-0.2 0.849 108.0 58.3 -54.2 -41.3 31.6 0.0 39.4 27 28 A N T 3<5S+ 0 0 120 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.680 95.4 65.5 -64.2 -18.1 34.5 1.8 40.9 28 29 A A T < 5S- 0 0 47 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.312 131.9 -96.3 -90.6 3.1 31.9 3.6 43.0 29 30 A G T < 5S+ 0 0 71 -3,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.571 81.2 142.8 100.3 15.1 31.1 0.1 44.5 30 31 A Y < - 0 0 31 -5,-1.2 2,-0.6 -4,-0.1 -1,-0.2 -0.236 55.2-120.0 -71.7-176.3 28.2 -0.6 42.1 31 32 A E E -a 2 0A 116 -30,-2.1 -28,-2.4 -2,-0.1 2,-0.5 -0.950 39.2-176.2-126.7 110.6 26.8 -3.6 40.3 32 33 A V E -a 3 0A 46 -2,-0.6 2,-0.6 -30,-0.2 -28,-0.2 -0.962 24.5-173.1-130.8 131.1 26.9 -3.0 36.7 33 34 A D E -a 4 0A 62 -30,-1.8 -28,-1.4 -2,-0.5 2,-0.4 -0.964 16.0-167.2-113.6 105.7 25.8 -5.0 33.8 34 35 A S E -a 5 0A 71 -2,-0.6 2,-0.3 -30,-0.2 -28,-0.2 -0.844 9.3-175.7-100.1 128.3 26.9 -3.3 30.5 35 36 A R E -a 6 0A 79 -30,-3.4 -28,-1.2 -2,-0.4 5,-0.0 -0.941 28.2-137.1-129.5 149.5 25.3 -4.5 27.1 36 37 A D - 0 0 51 -2,-0.3 -29,-0.4 -30,-0.2 -1,-0.1 0.923 34.5-132.1 -86.9 -57.0 25.7 -3.8 23.4 37 38 A A S > S+ 0 0 4 -31,-0.1 3,-1.0 -29,-0.1 -29,-0.1 0.318 93.1 84.0 139.9 -35.1 22.3 -3.6 22.3 38 39 A A T 3 S+ 0 0 62 1,-0.3 -1,-0.1 -31,-0.2 -30,-0.1 0.702 97.1 47.5 -72.2 -20.8 22.4 -5.6 19.5 39 40 A S T 3 S+ 0 0 103 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.109 93.4 96.9-108.4 17.1 22.0 -8.4 21.9 40 41 A V < - 0 0 20 -3,-1.0 2,-0.6 -4,-0.0 3,-0.1 -0.849 56.2-155.4-109.3 143.5 19.2 -7.0 23.9 41 42 A E - 0 0 172 -2,-0.4 4,-0.3 1,-0.2 32,-0.1 -0.971 19.3-132.8-123.6 117.4 15.7 -7.8 23.5 42 43 A A > + 0 0 14 -2,-0.6 3,-4.0 2,-0.1 -1,-0.2 0.769 66.6 119.0 -20.8 -81.5 13.2 -5.2 24.6 43 44 A G T 3 S- 0 0 51 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 0.479 108.3 -37.7 -3.5 94.3 10.8 -7.6 26.5 44 45 A G T > S+ 0 0 23 35,-3.8 3,-1.4 1,-0.1 -1,-0.3 0.558 89.4 155.4 48.0 14.9 11.0 -6.3 30.2 45 46 A L T < + 0 0 18 -3,-4.0 35,-0.1 34,-0.3 -2,-0.1 0.782 69.1 40.7 -36.5 -50.9 14.7 -5.7 29.4 46 47 A F T > S+ 0 0 0 34,-0.5 3,-1.8 -4,-0.1 -1,-0.2 0.690 82.8 120.8 -72.5 -27.8 15.0 -2.5 32.6 47 48 A E T < S+ 0 0 146 -3,-1.4 34,-0.1 33,-1.1 35,-0.0 -0.161 77.0 16.4 -50.6 125.6 12.8 -4.6 34.9 48 49 A G T 3 S+ 0 0 44 1,-0.3 2,-0.5 2,-0.0 -1,-0.2 0.446 95.8 117.2 90.6 3.7 15.4 -5.2 38.4 49 50 A F < - 0 0 23 -3,-1.8 37,-0.3 1,-0.1 -1,-0.3 -0.868 54.5-156.7-100.4 135.2 17.9 -2.4 37.6 50 51 A D S S+ 0 0 90 -48,-2.2 2,-0.4 -2,-0.5 36,-0.3 0.849 85.8 22.9 -69.5 -42.2 18.2 0.5 40.2 51 52 A L E S-b 3 0A 1 -49,-2.0 -47,-2.1 34,-0.1 2,-0.4 -0.994 72.3-160.1-134.5 138.6 19.6 2.8 37.5 52 53 A V E -bc 4 87A 0 34,-2.3 36,-1.7 -2,-0.4 2,-0.5 -0.975 1.2-161.6-125.3 131.9 19.2 2.6 33.8 53 54 A L E -bc 5 88A 1 -49,-3.5 -47,-1.4 -2,-0.4 36,-0.2 -0.802 8.3-178.6-125.2 116.3 21.4 4.2 31.4 54 55 A L E + c 0 89A 0 34,-1.8 36,-1.5 -2,-0.5 2,-0.2 -0.380 8.6 171.7-106.3 155.9 20.3 4.7 27.7 55 56 A G - 0 0 1 -49,-0.4 -47,-1.0 34,-0.2 2,-0.5 -0.735 11.2-166.1-170.7 137.4 22.4 6.3 25.3 56 57 A C B -e 8 0B 0 -2,-0.2 -47,-0.1 -49,-0.1 48,-0.1 -0.856 14.6-144.9-143.4 107.3 22.3 6.8 21.7 57 58 A S - 0 0 9 -49,-1.5 10,-1.3 -2,-0.5 2,-0.4 -0.289 33.1-130.9 -63.8 167.9 24.9 7.8 18.7 58 59 A T E +F 66 0C 29 34,-1.2 8,-0.2 8,-0.2 2,-0.2 -0.961 33.9 155.6-125.4 135.7 23.1 10.0 15.8 59 60 A W E +F 65 0C 118 6,-2.9 6,-2.3 -2,-0.4 2,-0.4 -0.592 39.8 81.3-133.6-170.2 23.2 9.6 12.0 60 61 A G - 0 0 30 4,-0.2 2,-2.2 -2,-0.2 4,-0.2 -0.306 61.3-154.5 99.3 -48.0 20.9 10.6 8.9 61 62 A D S S+ 0 0 88 -2,-0.4 37,-0.6 2,-0.3 38,-0.5 -0.269 89.2 48.0 72.3 -49.1 22.3 14.3 8.7 62 63 A D S S+ 0 0 123 -2,-2.2 2,-0.3 1,-0.1 -1,-0.2 0.639 129.4 12.9 -92.0 -16.3 19.1 15.6 7.1 63 64 A S S S- 0 0 59 -4,-0.1 2,-0.7 36,-0.1 -2,-0.3 -0.911 94.5 -89.3-149.0 167.0 16.9 13.9 9.6 64 65 A I + 0 0 72 -2,-0.3 2,-0.5 -4,-0.2 -4,-0.2 -0.756 43.5 177.1 -91.5 120.0 17.5 12.2 12.8 65 66 A E E -F 59 0C 117 -6,-2.3 -6,-2.9 -2,-0.7 38,-0.2 -0.992 24.4-128.9-130.6 129.8 18.2 8.6 12.6 66 67 A L E -F 58 0C 18 -2,-0.5 -8,-0.2 -8,-0.2 5,-0.1 -0.303 42.8 -82.6 -68.3 147.5 19.0 6.5 15.5 67 68 A Q >> - 0 0 2 -10,-1.3 3,-3.1 1,-0.1 4,-1.6 -0.339 47.5-114.4 -56.7 131.0 22.1 4.3 15.5 68 69 A D T 34 S+ 0 0 122 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.745 115.6 48.6 -36.8 -47.1 21.2 1.2 13.6 69 70 A D T 34 S+ 0 0 51 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.755 110.8 54.6 -71.7 -23.2 21.5 -1.1 16.6 70 71 A F T <> S+ 0 0 0 -3,-3.1 4,-1.4 1,-0.1 5,-0.3 0.887 82.5 79.4 -83.4 -38.4 19.3 1.3 18.6 71 72 A I H >X S+ 0 0 48 -4,-1.6 3,-3.4 1,-0.2 4,-1.9 0.872 89.3 59.4 -33.3 -78.6 16.2 1.6 16.5 72 73 A P H 34 S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 -30,-0.1 -0.416 109.4 40.6 -60.5 95.4 14.8 -1.9 17.8 73 74 A L H 34 S+ 0 0 4 -2,-1.3 -2,-0.2 -32,-0.1 6,-0.1 -0.292 112.8 55.0 160.3 -39.9 14.7 -1.0 21.4 74 75 A F H X< S+ 0 0 48 -3,-3.4 3,-0.9 -4,-1.4 -3,-0.2 0.822 104.7 51.2 -76.3 -41.1 13.5 2.2 20.8 75 76 A D T 3< S+ 0 0 113 -4,-1.9 -1,-0.2 -5,-0.3 3,-0.1 0.654 122.2 34.7 -71.9 -18.0 10.7 0.9 18.9 76 77 A S T > S+ 0 0 40 -5,-0.4 3,-2.0 1,-0.1 -1,-0.2 0.118 71.6 125.5-122.9 17.8 9.9 -1.3 21.9 77 78 A L T < S+ 0 0 2 -3,-0.9 3,-0.5 1,-0.3 4,-0.4 0.603 70.8 68.3 -54.8 -7.2 11.0 0.9 24.7 78 79 A E T 3 S+ 0 0 154 1,-0.2 3,-0.5 2,-0.1 4,-0.3 0.819 92.7 54.2 -82.3 -32.6 7.4 0.2 25.9 79 80 A E S < S+ 0 0 123 -3,-2.0 -35,-3.8 1,-0.2 -34,-0.3 0.250 92.0 79.3 -83.4 10.5 8.0 -3.3 26.7 80 81 A T S S- 0 0 0 -3,-0.5 -33,-1.1 -36,-0.2 -34,-0.5 0.855 102.1-110.2 -90.3 -35.4 10.9 -2.4 28.9 81 82 A G + 0 0 31 -3,-0.5 -2,-0.1 -4,-0.4 -3,-0.1 0.839 55.0 160.7 96.8 62.8 9.3 -1.4 32.1 82 83 A A > + 0 0 3 -4,-0.3 3,-1.7 -5,-0.2 2,-0.3 0.549 29.2 114.4 -90.2 -17.1 10.1 2.2 31.9 83 84 A Q T 3 S- 0 0 142 1,-0.3 33,-0.2 -5,-0.2 32,-0.1 -0.454 92.9 -6.9 -69.6 127.3 7.6 3.4 34.2 84 85 A G T 3 S+ 0 0 56 31,-1.4 -1,-0.3 -2,-0.3 2,-0.2 0.515 98.0 145.3 68.8 10.3 8.9 4.9 37.3 85 86 A R < - 0 0 48 -3,-1.7 32,-3.2 1,-0.1 2,-0.7 -0.486 54.6-119.6 -79.4 149.7 12.4 3.8 36.3 86 87 A K E + d 0 117A 65 -36,-0.3 -34,-2.3 -37,-0.3 2,-0.4 -0.819 46.9 169.5 -90.4 114.7 15.4 5.8 37.1 87 88 A V E -cd 52 118A 2 30,-2.1 32,-3.5 -2,-0.7 33,-0.5 -0.971 24.9-178.6-139.8 150.5 17.0 6.7 33.9 88 89 A A E -c 53 0A 0 -36,-1.7 -34,-1.8 -2,-0.4 2,-0.4 -0.927 19.8-141.4-137.1 153.5 19.7 9.0 32.4 89 90 A C E +c 54 0A 4 31,-0.6 34,-0.8 -2,-0.3 2,-0.3 -0.961 18.8 171.8-130.6 143.8 20.7 9.3 28.8 90 91 A F E +g 123 0D 0 -36,-1.5 2,-0.3 -2,-0.4 34,-0.2 -0.991 7.3 154.5-148.6 145.1 24.0 9.8 27.0 91 92 A G E -g 124 0D 0 32,-2.0 34,-2.0 -2,-0.3 2,-0.3 -0.970 32.6-110.8-162.8 167.5 25.2 9.8 23.2 92 93 A C E +g 125 0D 8 -2,-0.3 -34,-1.2 32,-0.2 2,-0.2 -0.819 42.0 137.4-110.7 147.3 27.9 11.1 20.6 93 94 A G E -g 126 0D 21 32,-2.9 34,-2.3 -2,-0.3 2,-0.3 -0.821 46.2 -97.9-160.5-162.5 27.6 13.6 17.9 94 95 A D - 0 0 70 -2,-0.2 7,-0.1 32,-0.2 32,-0.1 -0.944 17.2-140.0-146.8 116.7 29.0 16.5 16.0 95 96 A S S S+ 0 0 74 -2,-0.3 5,-0.1 5,-0.1 31,-0.1 0.686 97.5 77.1 -46.8 -23.0 28.0 20.2 16.7 96 97 A S S S+ 0 0 68 3,-0.1 -2,-0.2 -3,-0.0 0, 0.0 0.115 77.4 57.5 -68.2-163.5 28.3 20.3 13.0 97 98 A Y S S- 0 0 135 1,-0.1 3,-0.1 3,-0.1 -35,-0.1 0.442 92.7-108.7 45.5 144.9 25.1 18.6 11.3 98 99 A E S S+ 0 0 153 -37,-0.6 2,-1.8 1,-0.2 -36,-0.1 0.975 110.6 56.8 -71.0 -57.7 21.7 20.4 12.3 99 100 A Y S > S- 0 0 96 -38,-0.5 2,-1.3 1,-0.1 3,-0.7 -0.629 80.1-166.7 -79.7 87.1 20.2 17.8 14.5 100 101 A F T 3 S- 0 0 64 -2,-1.8 -5,-0.1 1,-0.3 -7,-0.1 -0.682 75.0 -20.7 -84.6 92.2 23.2 17.6 17.0 101 102 A C T 3> S+ 0 0 1 -2,-1.3 4,-1.1 -7,-0.1 3,-0.4 0.927 80.6 158.0 73.6 53.2 22.4 14.5 18.9 102 103 A G H <> + 0 0 0 -3,-0.7 4,-2.4 1,-0.2 3,-0.3 0.895 68.4 68.9 -68.3 -43.6 18.8 14.3 18.2 103 104 A A H > S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.810 103.6 47.7 -42.9 -34.0 18.8 10.6 18.9 104 105 A V H > S+ 0 0 2 -3,-0.4 4,-1.9 2,-0.2 -1,-0.3 0.907 108.7 50.7 -74.4 -48.5 19.4 11.8 22.4 105 106 A D H X S+ 0 0 70 -4,-1.1 4,-1.0 -3,-0.3 -2,-0.2 0.645 113.9 46.7 -54.2 -28.9 16.7 14.3 22.3 106 107 A A H X S+ 0 0 27 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.928 105.9 53.4 -85.9 -58.8 14.3 11.7 21.1 107 108 A I H X S+ 0 0 1 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.863 112.2 48.4 -46.8 -42.9 15.1 8.9 23.4 108 109 A E H X S+ 0 0 25 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.945 108.5 54.5 -62.9 -49.7 14.5 11.4 26.4 109 110 A E H X S+ 0 0 116 -4,-1.0 4,-0.9 1,-0.3 -1,-0.2 0.883 110.6 46.9 -52.3 -44.6 11.3 12.7 25.0 110 111 A K H < S+ 0 0 77 -4,-2.5 4,-0.3 1,-0.2 -1,-0.3 0.822 109.9 44.8 -82.7 -26.6 10.0 9.3 24.8 111 112 A L H X>S+ 0 0 1 -4,-1.9 5,-3.2 -5,-0.3 4,-0.6 0.882 108.9 60.1 -86.6 -14.8 10.8 7.7 28.2 112 113 A K H <5S+ 0 0 117 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.770 112.7 36.3 -74.0 -24.1 9.6 10.8 30.1 113 114 A N T <5S+ 0 0 90 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.461 107.2 65.7-104.2 4.6 6.3 10.5 28.7 114 115 A L T 45S- 0 0 40 -3,-0.5 -2,-0.2 -4,-0.3 -1,-0.2 0.531 127.8-103.7 -88.0 -12.7 6.6 6.7 28.9 115 116 A G T <5S+ 0 0 30 -4,-0.6 -31,-1.4 1,-0.3 -3,-0.2 0.291 75.0 145.6 105.8 -1.2 6.6 7.6 32.6 116 117 A A < - 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