==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 27-MAY-97 1AKT . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS SUBSP. VULGARIS . AUTHOR A.MCCARTHY,M.WALSH,T.HIGGINS . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 19.0 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 . 10 6.8 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 . 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 1 1 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 85 0, 0.0 30,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 152.6 21.8 26.2 1.6 2 3 A K E -a 31 0A 61 28,-0.2 48,-2.1 46,-0.1 49,-1.7 -0.958 360.0-165.1-113.7 134.0 19.4 24.0 3.5 3 4 A A E -ab 32 51A 0 28,-3.3 30,-2.5 -2,-0.5 2,-0.5 -0.931 9.3-156.0-122.6 140.6 16.5 25.4 5.4 4 5 A L E -ab 33 52A 0 47,-2.5 49,-2.8 -2,-0.4 2,-0.5 -0.963 9.3-169.7-110.2 128.3 14.2 23.7 8.0 5 6 A I E -ab 34 53A 0 28,-3.0 30,-3.5 -2,-0.5 2,-0.4 -0.995 5.9-179.5-119.8 123.0 10.7 25.3 8.4 6 7 A V E -ab 35 54A 0 47,-2.2 49,-2.6 -2,-0.5 2,-0.3 -0.998 7.5-179.0-123.2 126.0 8.7 23.9 11.5 7 8 A Y E -ab 36 55A 19 28,-1.8 30,-3.4 -2,-0.4 2,-0.5 -0.939 25.5-154.1-129.5 150.0 5.2 25.3 12.1 8 9 A G E + b 0 56A 0 47,-2.0 49,-0.9 -2,-0.3 2,-0.4 -0.997 31.8 167.2-115.0 118.1 2.5 24.8 14.7 9 10 A S + 0 0 15 -2,-0.5 -2,-0.1 47,-0.2 47,-0.0 -0.997 22.8 176.9-139.8 133.4 -0.9 25.6 13.0 10 11 A T S S+ 0 0 87 -2,-0.4 -1,-0.1 58,-0.0 0, 0.0 0.799 90.2 23.1-100.7 -44.3 -4.5 24.9 14.2 11 12 A T S S- 0 0 98 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.373 113.8-103.3-104.8 1.4 -6.7 26.5 11.5 12 13 A G S > S+ 0 0 15 3,-0.0 4,-2.2 4,-0.0 5,-0.2 0.443 89.6 113.2 94.6 1.9 -4.0 26.4 8.8 13 14 A N H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -4,-0.1 0.944 84.2 39.8 -71.9 -49.6 -2.9 30.1 8.7 14 15 A T H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.828 115.1 55.4 -65.5 -32.9 0.6 29.6 10.0 15 16 A E H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.941 108.1 47.1 -64.6 -44.6 0.7 26.5 7.8 16 17 A Y H X S+ 0 0 44 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.903 112.6 51.8 -60.5 -42.9 -0.2 28.6 4.7 17 18 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.945 108.6 49.3 -58.7 -50.1 2.5 31.0 5.9 18 19 A A H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.895 111.3 49.5 -56.6 -48.3 5.1 28.3 6.2 19 20 A E H X S+ 0 0 104 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.864 110.3 50.4 -62.1 -37.6 4.3 27.0 2.6 20 21 A T H X S+ 0 0 20 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.917 113.8 44.6 -66.2 -45.3 4.5 30.4 1.2 21 22 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.945 110.9 55.0 -63.2 -47.6 7.9 31.0 2.8 22 23 A A H X S+ 0 0 16 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.901 108.3 48.8 -53.5 -46.6 9.0 27.5 1.7 23 24 A R H X S+ 0 0 170 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.904 109.3 52.0 -61.6 -43.3 8.2 28.3 -1.9 24 25 A E H X S+ 0 0 27 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.919 112.5 45.6 -58.2 -46.9 10.1 31.6 -1.8 25 26 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 3,-0.5 0.887 111.5 52.3 -62.3 -44.3 13.2 29.9 -0.4 26 27 A A H ><5S+ 0 0 48 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.886 107.2 51.6 -59.6 -43.9 12.9 27.1 -3.0 27 28 A D H 3<5S+ 0 0 113 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.650 106.3 56.5 -70.5 -15.7 12.7 29.5 -5.9 28 29 A A T <<5S- 0 0 39 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.422 128.0 -98.3 -93.9 -6.3 15.8 31.2 -4.5 29 30 A G T < 5S+ 0 0 58 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.538 76.6 135.5 99.2 8.4 17.7 27.9 -4.7 30 31 A Y < - 0 0 24 -5,-2.3 2,-0.6 -8,-0.1 -1,-0.3 -0.615 56.2-126.0 -86.3 154.7 17.5 26.5 -1.1 31 32 A E E -a 2 0A 133 -30,-2.4 -28,-3.3 -2,-0.2 2,-0.4 -0.873 36.9-162.7 -98.8 124.9 16.6 23.0 -0.3 32 33 A V E -a 3 0A 42 -2,-0.6 2,-0.5 -30,-0.2 -28,-0.2 -0.954 20.8-168.1-116.7 134.2 13.7 23.3 2.1 33 34 A D E -a 4 0A 60 -30,-2.5 -28,-3.0 -2,-0.4 2,-0.5 -0.993 14.4-168.5-121.2 111.6 12.3 20.8 4.5 34 35 A S E +a 5 0A 45 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.921 11.0 178.6-107.3 124.5 8.9 22.0 5.8 35 36 A R E -a 6 0A 74 -30,-3.5 -28,-1.8 -2,-0.5 2,-0.3 -0.996 32.6-122.2-135.9 142.8 7.5 20.1 8.8 36 37 A D E > -a 7 0A 48 -2,-0.4 3,-1.8 -30,-0.2 4,-0.2 -0.549 28.3-130.1 -71.9 134.0 4.5 20.3 11.0 37 38 A A G > S+ 0 0 6 -30,-3.4 3,-1.2 -2,-0.3 -29,-0.2 0.791 104.1 69.6 -56.6 -30.3 5.6 20.6 14.7 38 39 A A G 3 S+ 0 0 64 -31,-0.4 -1,-0.3 1,-0.2 -30,-0.1 0.748 102.4 44.0 -62.3 -22.5 3.3 17.7 15.6 39 40 A S G < S+ 0 0 88 -3,-1.8 2,-0.3 2,-0.0 -1,-0.2 0.327 95.9 90.8-106.6 5.0 5.5 15.3 13.7 40 41 A V < - 0 0 27 -3,-1.2 2,-0.4 -4,-0.2 33,-0.0 -0.735 60.7-143.5-106.9 158.5 9.0 16.3 14.8 41 42 A E - 0 0 164 -2,-0.3 32,-0.0 2,-0.1 -2,-0.0 -0.947 16.1-140.3-112.1 130.6 11.2 15.1 17.6 42 43 A A > + 0 0 14 -2,-0.4 3,-2.5 2,-0.1 4,-0.3 0.849 68.5 104.6 -64.4 -44.0 13.3 17.9 19.2 43 44 A G T 3 S- 0 0 42 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.212 108.3 -17.4 -47.0 110.0 16.6 16.1 19.8 44 45 A G T > S+ 0 0 32 35,-3.4 3,-1.6 -2,-0.1 -1,-0.3 0.671 89.1 147.9 63.7 22.2 19.0 17.3 17.2 45 46 A L T < S+ 0 0 14 -3,-2.5 36,-0.1 1,-0.3 -2,-0.1 0.855 71.1 43.9 -54.5 -41.5 16.2 18.7 15.0 46 47 A F T > S+ 0 0 0 34,-2.7 3,-1.9 -4,-0.3 -1,-0.3 0.471 80.6 130.4 -85.6 -5.8 18.4 21.5 13.7 47 48 A E T < S+ 0 0 128 -3,-1.6 3,-0.1 33,-0.4 34,-0.0 -0.250 78.7 8.9 -53.7 131.0 21.5 19.5 13.0 48 49 A G T 3 S+ 0 0 51 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.414 96.0 125.4 80.8 1.9 22.8 20.1 9.4 49 50 A F < - 0 0 12 -3,-1.9 -1,-0.2 1,-0.1 37,-0.2 -0.795 46.9-160.5 -96.4 134.7 20.5 23.0 8.6 50 51 A D S S+ 0 0 80 -48,-2.1 36,-0.5 -2,-0.4 2,-0.3 0.813 83.5 20.0 -78.7 -34.4 21.9 26.3 7.4 51 52 A L E -bc 3 86A 0 -49,-1.7 -47,-2.5 34,-0.1 2,-0.4 -0.990 65.2-165.3-138.8 139.6 18.7 28.2 8.3 52 53 A V E -bc 4 87A 0 34,-1.8 36,-1.7 -2,-0.3 2,-0.5 -0.996 3.2-169.4-128.2 127.7 15.8 27.3 10.6 53 54 A L E -bc 5 88A 0 -49,-2.8 -47,-2.2 -2,-0.4 2,-0.5 -0.983 7.3-166.6-119.1 123.3 12.4 29.2 10.5 54 55 A L E +bc 6 89A 0 34,-2.1 36,-1.8 -2,-0.5 2,-0.4 -0.964 9.5 177.8-115.4 134.7 10.0 28.5 13.4 55 56 A G E +bc 7 90A 0 -49,-2.6 -47,-2.0 -2,-0.5 2,-0.3 -0.988 8.2 155.6-140.4 149.9 6.4 29.5 13.3 56 57 A C E -b 8 0A 0 34,-1.8 -47,-0.2 -2,-0.4 48,-0.1 -0.982 34.1-114.8-164.7 153.8 3.3 29.2 15.4 57 58 A S - 0 0 13 -49,-0.9 10,-1.0 -2,-0.3 2,-0.4 -0.415 32.7-119.3 -89.5 166.3 -0.0 30.8 16.1 58 59 A T B -F 66 0B 26 34,-1.2 2,-0.4 8,-0.2 8,-0.2 -0.896 22.8-169.7-112.1 136.1 -0.9 32.5 19.4 59 60 A W - 0 0 103 6,-3.2 2,-0.1 -2,-0.4 34,-0.0 -0.997 29.9-114.6-126.0 128.7 -3.8 31.4 21.7 60 61 A N + 0 0 132 -2,-0.4 2,-0.3 2,-0.1 4,-0.1 -0.389 56.9 140.0 -65.3 131.8 -5.0 33.5 24.7 61 62 A D - 0 0 81 -2,-0.1 4,-0.1 2,-0.1 -2,-0.0 -0.935 58.0-121.4-170.4 154.7 -4.2 31.5 27.9 62 63 A D S S+ 0 0 167 -2,-0.3 3,-0.1 2,-0.1 -2,-0.1 0.420 107.5 21.3 -84.6 -8.7 -3.0 32.1 31.5 63 64 A S S S+ 0 0 98 1,-0.2 2,-0.5 -3,-0.0 -2,-0.1 0.575 130.8 9.0-117.7 -70.2 0.0 29.8 31.2 64 65 A I - 0 0 58 2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.962 45.6-175.7-130.7 118.8 1.1 29.1 27.7 65 66 A E + 0 0 48 -2,-0.5 -6,-3.2 -4,-0.1 38,-0.2 0.301 49.3 115.9 -91.7 3.0 -0.2 30.8 24.6 66 67 A L B S-F 58 0B 9 -8,-0.2 -8,-0.2 1,-0.1 2,-0.1 -0.442 80.3 -91.8 -74.4 153.6 1.7 28.7 22.0 67 68 A Q >> - 0 0 3 -10,-1.0 3,-1.4 -59,-0.2 4,-1.0 -0.400 42.4-117.0 -61.9 135.2 -0.2 26.5 19.5 68 69 A D T 34 S+ 0 0 126 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.767 110.6 54.0 -49.6 -41.6 -0.5 23.1 21.1 69 70 A D T 34 S+ 0 0 62 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.754 108.4 52.0 -68.3 -27.2 1.5 21.1 18.5 70 71 A F T <> S+ 0 0 0 -3,-1.4 4,-2.6 1,-0.2 3,-0.4 0.711 88.2 83.0 -83.5 -19.8 4.4 23.5 19.0 71 72 A I H X S+ 0 0 29 -4,-1.0 4,-3.0 -3,-0.3 5,-0.2 0.870 87.6 50.1 -51.1 -52.2 4.6 23.2 22.8 72 73 A P H > S+ 0 0 84 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.855 113.9 47.2 -56.5 -40.2 6.7 20.0 23.0 73 74 A L H >4 S+ 0 0 5 -3,-0.4 3,-1.2 -4,-0.4 -2,-0.2 0.953 112.6 48.6 -65.5 -51.7 9.2 21.5 20.6 74 75 A F H >< S+ 0 0 31 -4,-2.6 3,-1.4 1,-0.3 4,-0.2 0.902 108.5 54.1 -55.8 -45.1 9.3 24.8 22.5 75 76 A D H 3< S+ 0 0 90 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.690 118.0 35.8 -66.2 -20.0 9.8 23.0 25.9 76 77 A S T X< S+ 0 0 35 -3,-1.2 3,-2.3 -4,-0.7 -1,-0.3 0.025 75.0 125.1-122.0 27.6 12.8 21.1 24.5 77 78 A L G X + 0 0 0 -3,-1.4 3,-1.7 1,-0.3 5,-0.5 0.768 64.8 70.4 -58.2 -28.2 14.2 23.8 22.3 78 79 A E G 3 S+ 0 0 108 1,-0.3 -1,-0.3 -4,-0.2 3,-0.2 0.587 96.8 51.0 -67.1 -9.8 17.5 23.4 24.2 79 80 A E G < S+ 0 0 106 -3,-2.3 -35,-3.4 1,-0.1 -1,-0.3 0.293 88.3 83.5-107.2 6.6 18.1 20.0 22.5 80 81 A T S < S- 0 0 0 -3,-1.7 -34,-2.7 -37,-0.2 -33,-0.4 0.678 105.0-105.1 -83.9 -22.1 17.6 21.1 18.9 81 82 A G + 0 0 22 -4,-0.3 -3,-0.1 -3,-0.2 -2,-0.1 0.787 66.5 149.7 97.7 38.8 21.0 22.4 18.2 82 83 A A > + 0 0 5 -5,-0.5 3,-2.6 2,-0.1 35,-0.3 0.724 29.7 110.8 -76.3 -26.9 20.1 26.1 18.4 83 84 A Q T 3 S- 0 0 168 1,-0.3 33,-0.2 -5,-0.1 32,-0.2 -0.274 99.5 -4.9 -55.5 124.7 23.4 27.4 19.6 84 85 A G T 3 S+ 0 0 58 31,-2.8 2,-0.3 1,-0.2 -1,-0.3 0.566 99.4 141.1 66.1 12.1 24.9 29.5 16.8 85 86 A R < - 0 0 40 -3,-2.6 32,-3.3 30,-0.0 2,-0.6 -0.675 56.4-124.2 -86.3 138.5 22.1 28.5 14.4 86 87 A K E +cd 51 117A 56 -36,-0.5 -34,-1.8 -2,-0.3 2,-0.3 -0.754 48.3 165.2 -79.5 116.1 20.8 31.2 12.0 87 88 A V E -cd 52 118A 0 30,-2.8 32,-2.6 -2,-0.6 33,-0.5 -0.916 25.7-173.8-137.1 163.1 17.0 31.4 12.8 88 89 A A E -c 53 0A 0 -36,-1.7 -34,-2.1 -2,-0.3 2,-0.3 -0.957 15.7-141.9-155.0 150.3 13.9 33.5 12.3 89 90 A C E +c 54 0A 0 31,-0.4 34,-2.0 -2,-0.3 2,-0.3 -0.825 16.8 173.9-119.4 157.3 10.4 33.3 13.5 90 91 A F E +ce 55 123A 0 -36,-1.8 -34,-1.8 -2,-0.3 2,-0.3 -0.941 5.5 163.3-151.8 164.1 6.9 33.9 12.1 91 92 A G E - e 0 124A 0 32,-1.5 34,-2.3 -2,-0.3 2,-0.3 -0.935 31.0-118.6-178.6 157.9 3.4 33.4 13.3 92 93 A C E + e 0 125A 6 -2,-0.3 -34,-1.2 32,-0.2 2,-0.3 -0.817 43.3 140.7-106.4 149.9 -0.2 34.4 12.7 93 94 A G E - e 0 126A 17 32,-2.4 34,-1.7 -2,-0.3 2,-0.4 -0.835 45.0 -98.7-163.6-162.1 -2.3 36.2 15.3 94 95 A D > - 0 0 66 -2,-0.3 3,-1.8 32,-0.2 7,-0.2 -0.972 10.5-145.8-147.4 122.5 -5.0 38.9 15.7 95 96 A S T 3 S+ 0 0 71 -2,-0.4 5,-0.1 1,-0.3 -1,-0.1 0.511 94.6 77.9 -65.3 -9.2 -4.4 42.4 16.8 96 97 A S T 3 S+ 0 0 92 3,-0.1 -1,-0.3 -3,-0.0 2,-0.3 0.665 86.3 81.1 -72.1 -16.7 -7.8 42.4 18.6 97 98 A Y S < S- 0 0 115 -3,-1.8 3,-0.3 1,-0.1 -3,-0.0 -0.697 86.5-124.8 -94.3 150.4 -5.9 40.4 21.4 98 99 A E S S+ 0 0 162 -2,-0.3 2,-1.1 1,-0.3 -1,-0.1 0.883 107.6 45.0 -55.6 -51.4 -3.7 41.9 24.1 99 100 A Y S > S- 0 0 136 -5,-0.0 3,-1.3 -3,-0.0 2,-0.5 -0.791 83.7-161.2 -98.4 85.5 -0.6 39.8 23.1 100 101 A F T 3 S- 0 0 64 -2,-1.1 -5,-0.1 1,-0.3 -7,-0.1 -0.548 77.9 -16.0 -70.4 118.2 -0.6 40.1 19.4 101 102 A C T >> S+ 0 0 1 -2,-0.5 3,-1.4 -7,-0.2 4,-1.1 0.843 85.2 161.9 51.3 40.4 1.5 37.2 18.0 102 103 A G H <> + 0 0 15 -3,-1.3 4,-2.3 1,-0.3 5,-0.2 0.804 65.3 67.6 -57.9 -32.9 2.9 36.7 21.5 103 104 A A H 3> S+ 0 0 0 -38,-0.2 4,-2.1 -4,-0.2 -1,-0.3 0.894 96.5 54.8 -58.4 -38.2 4.0 33.2 20.5 104 105 A V H <> S+ 0 0 0 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.920 108.6 47.9 -60.5 -46.5 6.6 34.9 18.1 105 106 A D H X S+ 0 0 79 -4,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.897 111.1 51.0 -58.3 -45.6 8.0 36.9 21.0 106 107 A A H X S+ 0 0 29 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.911 112.4 44.9 -60.2 -46.8 8.3 33.8 23.2 107 108 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.935 113.9 49.5 -67.3 -46.3 10.1 31.7 20.6 108 109 A E H X S+ 0 0 11 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.919 111.9 48.9 -59.2 -44.8 12.5 34.5 19.7 109 110 A E H X S+ 0 0 115 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.930 112.9 45.7 -61.7 -49.2 13.3 35.2 23.3 110 111 A K H X S+ 0 0 47 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.907 113.1 50.2 -64.2 -41.6 13.9 31.5 24.1 111 112 A L H <>S+ 0 0 0 -4,-2.8 5,-2.9 1,-0.2 -1,-0.2 0.883 109.9 51.4 -60.3 -42.2 16.1 31.1 21.0 112 113 A K H ><5S+ 0 0 116 -4,-2.4 3,-1.4 -5,-0.2 -2,-0.2 0.928 108.3 51.9 -61.0 -46.5 18.1 34.2 22.0 113 114 A N H 3<5S+ 0 0 125 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.711 108.4 52.1 -60.9 -28.7 18.6 32.6 25.5 114 115 A L T 3<5S- 0 0 52 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.329 123.7-101.8 -90.5 1.6 19.9 29.4 23.9 115 116 A G T < 5 + 0 0 43 -3,-1.4 -31,-2.8 1,-0.2 -3,-0.2 0.646 67.9 151.3 87.1 18.9 22.5 31.2 21.7 116 117 A A < - 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