==== 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 27-MAR-97 1AKQ . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS SUBSP. . 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) . 7042.0 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 . 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 . 12 8.2 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 2 0 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 P 0 0 79 0, 0.0 30,-3.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 167.5 49.7 26.6 41.6 2 3 A K E -a 31 0A 73 28,-0.2 48,-2.2 46,-0.1 49,-1.4 -0.937 360.0-172.4-108.6 122.4 49.3 24.6 38.4 3 4 A A E -ab 32 51A 0 28,-3.2 30,-2.7 -2,-0.5 2,-0.5 -0.891 13.0-156.1-118.8 145.6 49.6 26.4 35.1 4 5 A L E -ab 33 52A 0 47,-2.5 49,-2.6 -2,-0.4 2,-0.5 -0.967 7.6-166.0-115.3 131.4 49.0 25.3 31.6 5 6 A I E -ab 34 53A 0 28,-3.2 30,-3.3 -2,-0.5 2,-0.4 -0.991 7.3-178.4-117.1 120.4 50.7 27.1 28.7 6 7 A V E +ab 35 54A 0 47,-2.4 49,-3.1 -2,-0.5 2,-0.3 -0.987 9.6 177.2-120.1 127.4 49.4 26.4 25.1 7 8 A Y E -ab 36 55A 25 28,-2.0 30,-3.4 -2,-0.4 2,-0.5 -0.968 25.3-156.1-135.2 152.4 51.1 28.1 22.1 8 9 A G E + b 0 56A 0 47,-1.6 49,-1.0 -2,-0.3 2,-0.4 -0.993 26.5 166.6-122.4 123.2 50.8 28.1 18.3 9 10 A S - 0 0 15 -2,-0.5 -2,-0.0 47,-0.1 47,-0.0 -0.981 23.4-177.8-143.8 127.9 54.1 29.2 16.6 10 11 A T S S+ 0 0 79 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 0.859 93.2 22.7 -92.1 -44.5 55.1 28.9 12.9 11 12 A T S S- 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.406 112.6-103.1-104.2 3.0 58.6 30.3 13.1 12 13 A G S > S+ 0 0 15 4,-0.0 4,-2.0 3,-0.0 5,-0.1 0.410 90.0 112.7 95.8 -3.0 59.4 29.7 16.8 13 14 A N H > S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.929 83.9 39.2 -70.6 -45.5 58.9 33.3 18.1 14 15 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.822 115.4 55.6 -72.4 -29.7 55.8 32.6 20.2 15 16 A E H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.907 107.0 48.3 -66.4 -42.6 57.3 29.2 21.2 16 17 A Y H X S+ 0 0 40 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.913 112.3 50.9 -61.7 -42.7 60.4 31.1 22.5 17 18 A T H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.928 109.3 49.7 -60.4 -48.2 58.0 33.4 24.4 18 19 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.873 110.3 49.5 -60.1 -42.9 56.1 30.5 25.9 19 20 A E H X S+ 0 0 109 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.834 109.8 51.6 -70.6 -29.9 59.3 28.8 27.1 20 21 A T H X S+ 0 0 12 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.903 113.7 44.0 -70.2 -44.6 60.6 32.0 28.8 21 22 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.915 112.0 54.1 -67.1 -41.6 57.3 32.5 30.6 22 23 A A H X S+ 0 0 16 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.898 108.2 49.1 -58.9 -45.0 57.3 28.7 31.5 23 24 A R H X S+ 0 0 150 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.893 109.4 51.8 -65.0 -42.2 60.8 29.0 33.1 24 25 A E H X S+ 0 0 36 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.902 112.8 44.9 -62.7 -42.6 59.8 32.1 35.1 25 26 A L H <>S+ 0 0 1 -4,-2.1 5,-2.3 2,-0.2 3,-0.4 0.890 113.8 48.5 -67.3 -43.1 56.7 30.4 36.6 26 27 A A H ><5S+ 0 0 47 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.862 107.0 56.8 -65.8 -37.2 58.6 27.1 37.4 27 28 A D H 3<5S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.797 105.0 52.9 -64.0 -28.2 61.4 29.0 39.0 28 29 A A T 3<5S- 0 0 51 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.434 129.2 -98.5 -85.1 -4.6 58.8 30.5 41.4 29 30 A G T < 5S+ 0 0 57 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.417 74.8 141.5 101.7 -1.6 57.6 27.0 42.3 30 31 A Y < - 0 0 25 -5,-2.3 2,-0.7 1,-0.1 -1,-0.3 -0.389 56.2-121.5 -70.9 156.3 54.5 26.7 40.0 31 32 A E E -a 2 0A 120 -30,-3.0 -28,-3.2 2,-0.0 2,-0.5 -0.873 39.4-161.0 -94.2 120.6 53.9 23.3 38.4 32 33 A V E -a 3 0A 44 -2,-0.7 2,-0.5 -30,-0.2 -28,-0.2 -0.915 21.0-170.2-114.4 132.7 54.0 24.2 34.7 33 34 A D E -a 4 0A 49 -30,-2.7 -28,-3.2 -2,-0.5 2,-0.5 -0.963 12.4-172.3-119.6 108.6 52.6 22.2 31.7 34 35 A S E +a 5 0A 52 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.911 9.0 174.9-107.6 118.7 53.7 23.7 28.4 35 36 A R E -a 6 0A 81 -30,-3.3 -28,-2.0 -2,-0.5 2,-0.3 -0.973 33.3-124.5-130.5 140.6 52.2 22.3 25.2 36 37 A D E > -a 7 0A 50 -2,-0.4 3,-1.7 -30,-0.2 4,-0.3 -0.602 30.3-126.6 -73.3 137.3 52.3 23.1 21.4 37 38 A A G > S+ 0 0 8 -30,-3.4 3,-0.9 -2,-0.3 -29,-0.1 0.734 105.2 71.4 -59.2 -20.9 48.7 23.7 20.2 38 39 A A G 3 S+ 0 0 66 -31,-0.3 -1,-0.3 1,-0.2 -30,-0.1 0.804 100.8 43.4 -65.8 -28.7 49.4 21.1 17.5 39 40 A S G < S+ 0 0 91 -3,-1.7 2,-0.3 2,-0.0 -1,-0.2 0.290 97.3 97.2-102.1 10.2 49.3 18.3 20.0 40 41 A V < - 0 0 21 -3,-0.9 2,-0.4 -4,-0.3 33,-0.0 -0.683 57.4-147.9-104.0 152.5 46.3 19.3 22.1 41 42 A E - 0 0 163 -2,-0.3 4,-0.1 2,-0.1 32,-0.0 -0.984 15.6-142.4-114.2 129.5 42.7 18.3 22.2 42 43 A A > + 0 0 13 -2,-0.4 3,-1.6 2,-0.1 2,-0.4 0.742 67.0 106.6 -64.8 -31.4 40.2 21.1 23.2 43 44 A G T 3 S- 0 0 53 1,-0.3 37,-0.3 2,-0.1 -2,-0.1 -0.336 106.7 -21.4 -59.2 109.7 37.8 19.0 25.2 44 45 A G T > S+ 0 0 23 35,-3.2 3,-1.7 -2,-0.4 -1,-0.3 0.607 91.9 145.7 65.9 12.7 38.2 19.6 28.9 45 46 A L T < + 0 0 14 -3,-1.6 36,-0.1 1,-0.3 -2,-0.1 0.813 68.8 44.7 -50.6 -40.1 41.7 20.9 28.2 46 47 A F T > S+ 0 0 0 34,-2.9 3,-1.7 -4,-0.3 -1,-0.3 0.533 83.1 120.0 -86.2 -7.1 41.7 23.6 31.0 47 48 A E T < S+ 0 0 128 -3,-1.7 3,-0.1 33,-0.4 34,-0.0 -0.356 76.9 20.8 -61.6 129.7 40.2 21.4 33.7 48 49 A G T 3 S+ 0 0 60 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.353 96.3 113.9 95.9 -4.5 42.5 21.1 36.7 49 50 A F < - 0 0 16 -3,-1.7 -1,-0.3 1,-0.1 37,-0.2 -0.816 51.2-159.4-105.1 141.5 44.6 24.2 36.1 50 51 A D S S+ 0 0 88 -48,-2.2 36,-0.4 -2,-0.4 2,-0.3 0.724 86.4 22.2 -82.4 -26.6 44.7 27.3 38.3 51 52 A L E -b 3 0A 0 -49,-1.4 -47,-2.5 34,-0.1 2,-0.4 -0.993 64.4-164.3-144.8 136.6 46.0 29.4 35.5 52 53 A V E -bc 4 87A 0 34,-2.0 36,-1.7 -2,-0.3 2,-0.5 -0.988 4.6-168.2-125.5 126.4 45.9 29.1 31.7 53 54 A L E -bc 5 88A 0 -49,-2.6 -47,-2.4 -2,-0.4 2,-0.5 -0.977 7.1-164.5-115.7 122.5 48.3 31.1 29.4 54 55 A L E -bc 6 89A 1 34,-2.1 36,-2.3 -2,-0.5 2,-0.4 -0.971 4.7-170.8-115.3 125.5 47.5 31.1 25.6 55 56 A G E +bc 7 90A 0 -49,-3.1 -47,-1.6 -2,-0.5 2,-0.3 -0.934 11.7 160.2-120.8 140.1 50.0 32.2 23.1 56 57 A C E -b 8 0A 0 34,-1.8 48,-0.2 -2,-0.4 -47,-0.1 -0.941 28.9-134.4-159.4 134.9 49.5 32.8 19.3 57 58 A S - 0 0 12 -49,-1.0 10,-1.1 -2,-0.3 2,-0.4 -0.435 27.7-120.7 -83.3 161.6 51.1 34.7 16.5 58 59 A T E +F 66 0B 26 34,-1.4 2,-0.2 8,-0.2 8,-0.2 -0.879 36.9 162.8-111.1 132.3 49.1 36.7 14.0 59 60 A W E +F 65 0B 111 6,-2.2 6,-2.0 -2,-0.4 43,-0.1 -0.664 37.7 77.5-126.6-174.4 49.2 36.0 10.2 60 61 A G > - 0 0 31 4,-0.2 2,-1.7 -2,-0.2 3,-0.7 -0.014 60.5-151.0 100.3 -35.8 47.0 37.0 7.2 61 62 A D T 3 S+ 0 0 100 1,-0.3 38,-0.4 4,-0.1 37,-0.3 -0.425 88.8 34.2 67.3 -83.2 48.1 40.5 6.5 62 63 A D T 3 S+ 0 0 126 -2,-1.7 2,-0.3 1,-0.1 -1,-0.3 0.758 135.2 21.2 -75.6 -25.8 44.9 42.0 5.0 63 64 A S S < S- 0 0 69 -3,-0.7 2,-0.2 36,-0.0 -1,-0.1 -0.972 97.7-100.7-134.6 147.4 42.6 39.9 7.2 64 65 A I - 0 0 63 -2,-0.3 2,-0.4 -4,-0.1 -4,-0.2 -0.514 36.7-177.5 -74.4 139.7 43.6 38.3 10.5 65 66 A E E -F 59 0B 104 -6,-2.0 -6,-2.2 -2,-0.2 38,-0.1 -0.996 24.1-129.7-129.8 129.3 44.4 34.6 10.3 66 67 A L E -F 58 0B 19 -2,-0.4 -8,-0.2 -8,-0.2 5,-0.2 -0.430 46.2 -76.4 -76.6 157.8 45.4 32.8 13.6 67 68 A Q >> - 0 0 1 -10,-1.1 4,-1.1 -59,-0.1 3,-1.1 -0.253 51.9-113.9 -53.6 136.0 48.6 30.8 13.6 68 69 A D T 34 S+ 0 0 112 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.798 111.4 47.0 -44.4 -50.4 47.8 27.5 11.8 69 70 A D T 34 S+ 0 0 52 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.795 110.0 55.9 -67.4 -27.1 48.1 25.0 14.7 70 71 A F T <> S+ 0 0 0 -3,-1.1 4,-2.4 1,-0.2 3,-0.3 0.714 85.0 83.5 -80.6 -19.5 46.0 27.3 17.0 71 72 A I H X S+ 0 0 48 -4,-1.1 4,-2.4 -3,-0.4 5,-0.2 0.908 87.9 49.9 -50.6 -54.1 42.9 27.5 14.7 72 73 A P H > S+ 0 0 81 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.884 113.5 47.2 -54.0 -42.3 41.3 24.1 15.8 73 74 A L H >4 S+ 0 0 7 -4,-0.4 3,-0.6 -3,-0.3 -2,-0.2 0.936 110.7 50.9 -66.5 -45.5 41.6 25.1 19.5 74 75 A F H >< S+ 0 0 43 -4,-2.4 3,-1.5 1,-0.3 4,-0.2 0.944 109.0 52.6 -57.7 -45.7 40.2 28.6 19.0 75 76 A D H 3< S+ 0 0 99 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.757 117.2 37.5 -63.6 -27.3 37.3 27.1 17.1 76 77 A S T X< S+ 0 0 34 -4,-1.0 3,-2.3 -3,-0.6 4,-0.3 0.057 75.1 122.8-112.4 23.2 36.5 24.7 20.0 77 78 A L G X + 0 0 0 -3,-1.5 3,-1.2 1,-0.3 5,-0.5 0.763 65.4 70.8 -55.9 -25.6 37.3 27.1 22.9 78 79 A E G 3 S+ 0 0 109 1,-0.2 -1,-0.3 -4,-0.2 3,-0.2 0.706 98.4 49.7 -60.5 -26.1 33.8 26.5 24.2 79 80 A E G < S+ 0 0 115 -3,-2.3 -35,-3.2 1,-0.1 -1,-0.2 0.414 88.4 80.7 -95.5 -4.6 34.8 22.9 25.1 80 81 A T S < S- 0 0 0 -3,-1.2 -34,-2.9 -4,-0.3 -33,-0.4 0.620 103.7-106.9 -79.0 -17.7 38.0 23.6 27.1 81 82 A G + 0 0 24 -4,-0.3 -3,-0.1 -3,-0.2 -2,-0.1 0.800 64.5 150.6 92.5 37.9 36.4 24.6 30.4 82 83 A A > + 0 0 4 -5,-0.5 3,-1.9 2,-0.1 35,-0.2 0.645 29.1 115.0 -77.0 -17.8 37.2 28.3 30.3 83 84 A Q T 3 S- 0 0 158 1,-0.3 33,-0.3 -5,-0.1 32,-0.2 -0.395 96.6 -4.8 -61.0 123.9 34.2 29.5 32.3 84 85 A G T 3 S+ 0 0 54 31,-2.6 -1,-0.3 1,-0.2 2,-0.2 0.511 101.5 139.0 69.3 7.2 35.5 31.0 35.5 85 86 A R < - 0 0 52 -3,-1.9 32,-3.8 1,-0.0 2,-0.6 -0.581 58.0-121.7 -83.0 139.3 39.1 30.1 34.6 86 87 A K E + d 0 117A 69 -36,-0.4 -34,-2.0 -2,-0.2 2,-0.3 -0.754 47.3 166.1 -84.5 120.8 41.9 32.6 35.2 87 88 A V E -cd 52 118A 0 30,-2.8 32,-2.7 -2,-0.6 33,-0.5 -0.943 23.6-175.0-137.0 161.8 43.6 33.2 31.9 88 89 A A E -c 53 0A 0 -36,-1.7 -34,-2.1 -2,-0.3 2,-0.3 -0.976 16.6-141.7-153.4 149.1 46.0 35.5 30.2 89 90 A C E +c 54 0A 1 31,-0.4 34,-2.0 -2,-0.3 2,-0.3 -0.885 17.1 174.5-121.2 153.5 47.1 35.8 26.5 90 91 A F E +ce 55 123A 1 -36,-2.3 -34,-1.8 -2,-0.3 2,-0.3 -0.939 7.5 158.3-146.1 164.5 50.3 36.5 24.7 91 92 A G E - e 0 124A 0 32,-1.6 34,-2.6 -2,-0.3 2,-0.3 -0.943 32.3-113.7 178.2 160.1 51.6 36.5 21.1 92 93 A C E + e 0 125A 6 -2,-0.3 -34,-1.4 32,-0.2 2,-0.2 -0.797 43.4 135.2-106.2 147.9 54.1 37.8 18.5 93 94 A G E - e 0 126A 20 32,-2.1 34,-1.8 -2,-0.3 2,-0.4 -0.826 46.7-102.0-162.9-159.6 53.3 40.0 15.6 94 95 A A > - 0 0 29 -2,-0.2 3,-1.9 32,-0.2 7,-0.2 -0.953 13.2-140.9-150.4 126.0 54.7 43.1 13.8 95 96 A S T 3 S+ 0 0 72 -2,-0.4 5,-0.2 1,-0.3 -1,-0.0 0.509 95.1 77.0 -67.7 -3.2 53.4 46.6 14.1 96 97 A S T 3 S+ 0 0 104 3,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.659 83.8 83.0 -79.1 -16.2 53.9 47.2 10.4 97 98 A Y S < S- 0 0 115 -3,-1.9 3,-0.4 1,-0.1 -35,-0.1 -0.553 87.9-122.4 -89.1 156.0 50.7 45.2 9.8 98 99 A E S S+ 0 0 148 -37,-0.3 2,-0.9 1,-0.3 -1,-0.1 0.894 108.4 42.9 -62.8 -42.5 47.3 46.7 10.1 99 100 A Y S > S- 0 0 105 -38,-0.4 3,-1.6 -5,-0.1 2,-0.4 -0.729 83.7-162.2-104.8 79.8 46.1 44.2 12.8 100 101 A F T 3 S- 0 0 63 -2,-0.9 -5,-0.1 -3,-0.4 -7,-0.1 -0.487 77.8 -14.9 -66.3 118.0 49.2 44.1 15.1 101 102 A C T >> S+ 0 0 0 -2,-0.4 3,-1.2 -7,-0.2 4,-1.2 0.818 86.3 160.5 55.3 35.2 48.8 41.0 17.3 102 103 A G H <> + 0 0 2 -3,-1.6 4,-2.1 1,-0.3 5,-0.2 0.729 65.1 64.7 -59.0 -27.5 45.2 40.8 16.2 103 104 A A H 3> S+ 0 0 0 -4,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.887 98.2 54.4 -63.4 -39.0 45.1 37.1 17.2 104 105 A V H <> S+ 0 0 0 -3,-1.2 4,-2.6 1,-0.2 5,-0.2 0.933 110.2 46.7 -59.6 -48.6 45.7 38.1 20.9 105 106 A D H X S+ 0 0 77 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.901 111.9 49.7 -61.0 -43.5 42.7 40.5 20.7 106 107 A A H X S+ 0 0 33 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.880 113.1 46.7 -63.7 -40.2 40.4 37.8 19.0 107 108 A I H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.916 112.3 49.9 -69.4 -42.5 41.3 35.2 21.7 108 109 A E H X S+ 0 0 23 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.906 110.3 51.1 -62.2 -43.1 40.8 37.6 24.6 109 110 A E H X S+ 0 0 97 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.930 112.2 45.6 -60.1 -45.6 37.4 38.6 23.2 110 111 A K H X S+ 0 0 35 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.928 112.0 52.0 -65.8 -44.4 36.2 35.0 22.9 111 112 A L H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.4 0.925 110.4 47.6 -59.2 -46.3 37.5 34.1 26.3 112 113 A K H ><5S+ 0 0 108 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.901 110.3 52.5 -64.4 -38.4 35.6 37.0 27.9 113 114 A N H 3<5S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.783 108.5 52.2 -66.5 -25.9 32.5 36.0 26.0 114 115 A L T 3<5S- 0 0 45 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.375 122.0-107.2 -87.1 0.1 32.9 32.5 27.5 115 116 A G T < 5 + 0 0 33 -3,-1.5 -31,-2.6 -4,-0.2 -3,-0.2 0.670 66.3 149.2 83.7 17.5 33.2 33.8 31.0 116 117 A A < - 0 0 13 -5,-2.3 2,-0.7 -33,-0.3 -1,-0.2 -0.381 50.0-120.2 -74.4 163.5 36.9 33.3 31.6 117 118 A E E -d 86 0A 96 -32,-3.8 -30,-2.8 -35,-0.2 2,-0.7 -0.922 19.3-149.6-109.8 108.6 38.6 35.8 34.0 118 119 A I E -d 87 0A 55 -2,-0.7 -30,-0.2 -32,-0.2 -32,-0.1 -0.702 12.1-170.3 -77.0 115.0 41.4 37.6 32.1 119 120 A V + 0 0 25 -32,-2.7 2,-0.3 -2,-0.7 -31,-0.2 0.754 64.3 11.6 -83.7 -21.8 43.9 38.3 34.9 120 121 A Q S S- 0 0 58 -33,-0.5 -31,-0.4 3,-0.0 -1,-0.2 -0.976 88.0 -91.5-150.2 152.8 46.3 40.7 33.0 121 122 A D - 0 0 134 -2,-0.3 -2,-0.0 1,-0.1 -33,-0.0 -0.405 62.1 -91.7 -64.1 142.7 46.2 42.6 29.6 122 123 A G - 0 0 10 1,-0.1 2,-0.6 -32,-0.1 -32,-0.3 -0.172 32.7-115.7 -61.9 152.5 47.8 40.4 26.9 123 124 A L E -e 90 0A 18 -34,-2.0 -32,-1.6 -3,-0.1 2,-0.6 -0.825 30.6-168.4 -90.6 119.3 51.5 40.6 26.1 124 125 A R E -e 91 0A 79 -2,-0.6 2,-0.4 -34,-0.2 -32,-0.2 -0.940 5.4-160.7-115.2 106.1 51.9 41.8 22.5 125 126 A I E -e 92 0A 6 -34,-2.6 -32,-2.1 -2,-0.6 2,-0.5 -0.785 5.4-154.9 -95.4 131.3 55.5 41.4 21.1 126 127 A D E -e 93 0A 82 -2,-0.4 -32,-0.2 -34,-0.2 2,-0.1 -0.897 61.0 -26.7-102.9 120.4 56.7 43.4 18.2 127 128 A G S S+ 0 0 36 -34,-1.8 -34,-0.2 -2,-0.5 5,-0.1 -0.384 119.5 8.8 79.5-153.2 59.6 41.7 16.2 128 129 A D > - 0 0 84 1,-0.2 3,-1.1 -2,-0.1 -2,-0.1 -0.523 61.4-152.5 -66.8 116.5 62.2 39.3 17.7 129 130 A P G > S+ 0 0 0 0, 0.0 3,-2.2 0, 0.0 7,-0.2 0.777 89.9 72.3 -62.7 -26.0 61.0 38.4 21.2 130 131 A R G > S+ 0 0 118 1,-0.3 3,-0.7 2,-0.2 4,-0.1 0.811 96.4 52.4 -61.3 -25.8 64.7 37.7 22.3 131 132 A A G < S+ 0 0 94 -3,-1.1 -1,-0.3 1,-0.2 3,-0.1 0.468 110.7 46.2 -88.0 -3.9 65.1 41.4 22.2 132 133 A A G X> S+ 0 0 19 -3,-2.2 4,-1.4 -4,-0.1 3,-0.7 -0.068 73.6 126.4-124.2 26.5 62.1 42.0 24.4 133 134 A R H <> + 0 0 106 -3,-0.7 4,-2.3 1,-0.3 5,-0.2 0.847 69.4 56.3 -57.1 -39.1 63.1 39.3 27.0 134 135 A D H 3> S+ 0 0 127 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.838 106.8 50.5 -63.6 -34.2 62.9 41.7 29.9 135 136 A D H <> S+ 0 0 106 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.828 110.2 49.6 -69.3 -35.6 59.3 42.6 29.0 136 137 A I H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.892 112.7 46.7 -69.2 -43.7 58.4 38.9 28.8 137 138 A V H X S+ 0 0 33 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.912 113.2 49.9 -61.9 -45.9 60.0 38.2 32.2 138 139 A G H X S+ 0 0 32 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.877 110.0 49.6 -61.5 -44.0 58.2 41.3 33.7 139 140 A W H X S+ 0 0 17 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.894 109.7 51.1 -67.5 -38.8 54.8 40.2 32.3 140 141 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.898 109.7 51.4 -63.6 -38.5 55.2 36.7 33.8 141 142 A H H X S+ 0 0 107 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.945 109.9 49.3 -61.5 -50.0 56.0 38.3 37.1 142 143 A D H < S+ 0 0 83 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.841 106.1 55.7 -59.8 -39.0 52.9 40.4 36.9 143 144 A V H >X S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 4,-0.6 0.906 105.1 53.1 -63.5 -41.1 50.6 37.4 36.1 144 145 A R H >< S+ 0 0 67 -4,-1.6 3,-0.7 1,-0.3 -1,-0.2 0.886 108.7 48.6 -61.2 -37.8 51.8 35.5 39.2 145 146 A G T 3< S+ 0 0 72 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.553 107.6 60.3 -78.9 -7.9 50.9 38.5 41.4 146 147 A A T <4 0 0 31 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.511 360.0 360.0 -96.6 -13.8 47.5 38.6 39.6 147 148 A I << 0 0 75 -3,-0.7 -1,-0.2 -4,-0.6 -4,-0.0 -0.492 360.0 360.0-104.6 360.0 46.3 35.1 40.6