==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 19-OCT-09 3KAQ . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO DESULFURICANS SUBSP. . AUTHOR A.ROMERO,J.CALDEIRA,J.LEGALL,I.MOURA,J.J.G.MOURA,M.J.ROMAO . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7038.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 72.1 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 . 8 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 27.2 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 1 0 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 S 0 0 54 0, 0.0 30,-1.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 136.7 13.6 24.5 11.5 2 3 A K E -a 31 0A 88 28,-0.2 48,-2.7 46,-0.2 49,-1.2 -0.824 360.0-164.2 -89.2 127.1 13.0 24.5 7.7 3 4 A V E -ab 32 51A 0 28,-2.9 30,-2.4 -2,-0.5 2,-0.4 -0.949 10.7-156.6-118.0 134.9 11.5 27.8 6.6 4 5 A L E -ab 33 52A 1 47,-2.0 49,-2.8 -2,-0.4 2,-0.5 -0.931 4.8-159.3-103.0 135.6 9.8 28.5 3.2 5 6 A I E -ab 34 53A 0 28,-2.9 30,-3.0 -2,-0.4 2,-0.5 -0.978 12.8-174.5-115.2 111.0 9.8 32.2 2.0 6 7 A L E +ab 35 54A 0 47,-2.3 49,-2.0 -2,-0.5 2,-0.3 -0.944 9.8 168.9-108.0 121.4 7.0 32.7 -0.5 7 8 A F E -ab 36 55A 5 28,-1.8 30,-3.1 -2,-0.5 2,-0.4 -0.948 27.2-158.4-135.7 155.5 6.7 36.1 -2.3 8 9 A G E + b 0 56A 0 47,-1.8 49,-0.7 -2,-0.3 2,-0.4 -1.000 25.6 167.3-125.5 131.8 4.9 37.6 -5.2 9 10 A S - 0 0 12 -2,-0.4 -2,-0.0 47,-0.1 47,-0.0 -0.960 25.5-170.5-149.7 127.0 6.5 40.8 -6.6 10 11 A S S S+ 0 0 54 -2,-0.4 -1,-0.1 1,-0.1 46,-0.0 0.767 93.6 20.3 -85.7 -31.9 5.9 42.8 -9.8 11 12 A T S S- 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.285 114.2 -97.6-119.3 9.3 8.9 45.2 -9.8 12 13 A G S > S+ 0 0 22 116,-0.0 4,-2.3 3,-0.0 5,-0.2 0.308 91.0 115.1 96.6 -8.6 11.3 43.4 -7.4 13 14 A N H > S+ 0 0 52 2,-0.2 4,-1.1 1,-0.2 116,-0.5 0.959 83.5 34.7 -65.0 -48.3 10.4 45.3 -4.2 14 15 A T H > S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.790 116.2 61.1 -73.6 -29.9 8.8 42.5 -2.1 15 16 A E H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.908 101.7 49.4 -60.2 -44.2 11.3 40.2 -3.8 16 17 A S H X S+ 0 0 32 -4,-2.3 4,-2.0 -3,-0.3 -1,-0.2 0.793 110.1 51.0 -66.4 -30.4 14.2 42.1 -2.3 17 18 A I H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.946 111.2 49.4 -71.6 -42.4 12.7 41.9 1.2 18 19 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.835 110.4 49.0 -63.5 -43.6 12.3 38.2 0.7 19 20 A Q H X S+ 0 0 90 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.915 111.9 49.6 -61.6 -43.5 15.9 37.7 -0.4 20 21 A K H X S+ 0 0 67 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.930 110.6 50.3 -65.6 -39.9 17.1 39.8 2.6 21 22 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.875 108.1 52.5 -61.8 -38.8 14.9 37.6 4.9 22 23 A E H X S+ 0 0 48 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.958 109.2 49.9 -61.3 -53.1 16.4 34.5 3.4 23 24 A E H X S+ 0 0 93 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.944 116.7 41.2 -50.3 -52.5 20.0 35.8 4.1 24 25 A L H X S+ 0 0 44 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.852 116.5 46.4 -70.3 -35.7 19.1 36.7 7.7 25 26 A V H <>S+ 0 0 0 -4,-2.9 5,-0.8 2,-0.2 -1,-0.2 0.922 113.4 50.5 -70.4 -42.9 17.0 33.5 8.6 26 27 A A H >X5S+ 0 0 32 -4,-2.8 3,-2.0 -5,-0.3 4,-0.8 0.920 106.4 54.2 -60.0 -44.3 19.6 31.3 7.0 27 28 A A H 3<5S+ 0 0 86 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.848 97.8 64.6 -64.2 -28.0 22.4 32.9 8.9 28 29 A G T 3<5S- 0 0 44 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.425 130.9 -91.5 -70.8 2.7 20.5 32.2 12.2 29 30 A G T <45S+ 0 0 62 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.827 82.2 130.8 95.1 35.6 21.0 28.5 11.4 30 31 A H << - 0 0 42 -5,-0.8 2,-0.6 -4,-0.8 -1,-0.3 -0.837 61.1-119.6-121.5 154.8 17.9 27.5 9.4 31 32 A E E -a 2 0A 126 -30,-1.1 -28,-2.9 -2,-0.3 2,-0.4 -0.911 43.9-170.8 -82.8 122.7 17.4 25.6 6.2 32 33 A V E -a 3 0A 25 -2,-0.6 2,-0.4 -30,-0.2 -28,-0.2 -0.964 16.6-159.6-126.8 134.5 15.6 28.2 4.1 33 34 A T E -a 4 0A 46 -30,-2.4 -28,-2.9 -2,-0.4 2,-0.5 -0.969 7.8-153.0-117.0 129.8 13.8 27.9 0.7 34 35 A L E +a 5 0A 63 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.903 20.2 178.5 -99.1 121.7 13.2 31.0 -1.5 35 36 A L E -a 6 0A 37 -30,-3.0 -28,-1.8 -2,-0.5 2,-0.4 -0.972 24.7-143.0-133.3 126.6 10.2 30.5 -3.8 36 37 A N E > -a 7 0A 34 -2,-0.4 3,-1.9 -30,-0.2 -28,-0.2 -0.707 22.6-131.3 -78.0 133.5 8.7 33.0 -6.2 37 38 A A G > S+ 0 0 3 -30,-3.1 3,-1.5 -2,-0.4 -29,-0.1 0.764 105.0 70.2 -58.8 -29.2 4.8 32.6 -6.2 38 39 A A G 3 S+ 0 0 50 -31,-0.3 -1,-0.3 1,-0.3 -30,-0.1 0.827 106.0 37.3 -56.1 -34.0 5.1 32.4 -10.0 39 40 A E G < S+ 0 0 144 -3,-1.9 -1,-0.3 2,-0.0 2,-0.3 0.238 103.1 99.2-106.4 19.5 6.7 29.0 -9.7 40 41 A A < - 0 0 17 -3,-1.5 2,-0.4 29,-0.1 33,-0.0 -0.707 53.4-155.9-111.1 158.4 4.6 27.8 -6.8 41 42 A S - 0 0 94 -2,-0.3 -3,-0.0 2,-0.1 -2,-0.0 -0.995 13.5-146.0-125.6 130.0 1.5 25.5 -6.4 42 43 A A > + 0 0 2 -2,-0.4 3,-1.9 2,-0.1 4,-0.3 0.812 66.3 103.4 -70.4 -29.4 -0.6 25.9 -3.3 43 44 A D T 3 S- 0 0 65 1,-0.3 37,-0.3 2,-0.1 -2,-0.1 -0.417 108.4 -15.6 -65.9 118.6 -1.7 22.3 -2.7 44 45 A N T > S+ 0 0 100 35,-3.2 3,-1.0 -2,-0.2 -1,-0.3 0.743 89.6 147.7 55.2 37.2 0.3 21.0 0.2 45 46 A L T < + 0 0 25 -3,-1.9 36,-0.1 1,-0.2 -2,-0.1 0.909 65.2 53.3 -67.2 -43.3 2.8 23.8 -0.1 46 47 A A T > S+ 0 0 1 34,-2.4 3,-2.2 -4,-0.3 -1,-0.2 0.552 77.0 129.5 -75.2 -2.5 3.6 23.9 3.6 47 48 A D T < S+ 0 0 93 -3,-1.0 3,-0.1 33,-0.4 35,-0.0 -0.239 79.0 7.3 -63.4 124.1 4.5 20.2 3.9 48 49 A G T 3 S+ 0 0 40 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.455 105.0 108.8 87.6 1.5 7.8 19.6 5.6 49 50 A Y < - 0 0 50 -3,-2.2 -1,-0.3 1,-0.1 -46,-0.2 -0.841 52.9-161.1-105.0 147.2 8.3 23.3 6.5 50 51 A D S S+ 0 0 78 -48,-2.7 36,-1.7 -2,-0.4 2,-0.3 0.677 79.2 22.0 -96.6 -19.5 8.0 24.4 10.1 51 52 A A E -bc 3 86A 0 -49,-1.2 -47,-2.0 34,-0.2 2,-0.4 -0.969 61.8-159.6-151.1 140.9 7.5 28.1 9.2 52 53 A V E -bc 4 87A 1 34,-1.9 36,-1.5 -2,-0.3 2,-0.7 -0.995 2.6-164.6-129.3 117.3 6.2 30.0 6.1 53 54 A L E -bc 5 88A 1 -49,-2.8 -47,-2.3 -2,-0.4 2,-0.3 -0.943 20.2-175.2-102.5 114.8 7.0 33.7 5.7 54 55 A M E +bc 6 89A 0 34,-2.5 36,-1.4 -2,-0.7 2,-0.3 -0.885 7.9 163.2-113.3 148.2 4.6 34.9 3.0 55 56 A G E +bc 7 90A 0 -49,-2.0 -47,-1.8 -2,-0.3 2,-0.3 -0.975 6.2 158.8-165.2 145.4 4.5 38.3 1.4 56 57 A C E -b 8 0A 1 34,-1.0 47,-0.3 -2,-0.3 48,-0.2 -0.980 34.7-102.3-160.3 166.9 3.3 40.3 -1.6 57 58 A S - 0 0 11 -49,-0.7 10,-1.7 -2,-0.3 2,-0.3 -0.521 31.5-129.4 -85.5 158.8 2.4 43.7 -3.0 58 59 A A B -F 66 0B 29 34,-0.4 8,-0.2 8,-0.2 43,-0.1 -0.860 18.7-175.0-113.2 151.1 -1.2 45.1 -3.3 59 60 A W + 0 0 125 6,-3.7 2,-0.2 -2,-0.3 7,-0.1 0.268 50.1 88.0-136.9 15.1 -2.4 46.5 -6.6 60 61 A G - 0 0 10 5,-0.5 5,-0.1 1,-0.2 4,-0.1 -0.650 53.5-155.0-110.3 169.3 -5.9 47.9 -6.1 61 62 A M S S+ 0 0 126 -2,-0.2 -1,-0.2 36,-0.1 4,-0.1 0.685 89.2 12.1-104.9 -82.8 -6.9 51.3 -4.9 62 63 A E S S+ 0 0 72 2,-0.1 2,-0.3 36,-0.0 37,-0.1 0.827 134.5 46.0 -68.5 -24.7 -10.4 51.4 -3.3 63 64 A D S S- 0 0 124 35,-0.1 2,-0.5 -4,-0.0 35,-0.1 -0.763 93.4-110.2-113.8 155.3 -10.3 47.6 -3.1 64 65 A L + 0 0 59 -2,-0.3 2,-0.4 -5,-0.1 -3,-0.1 -0.744 38.5 175.0 -84.3 129.5 -7.6 45.3 -2.1 65 66 A E - 0 0 106 -2,-0.5 -6,-3.7 -5,-0.1 -5,-0.5 -0.969 20.5-137.7-136.4 121.1 -6.2 43.4 -4.9 66 67 A L B -F 58 0B 21 -2,-0.4 -8,-0.2 -8,-0.2 5,-0.0 -0.328 37.3 -76.3 -80.7 159.4 -3.1 41.1 -4.5 67 68 A Q >> - 0 0 1 -10,-1.7 4,-2.8 -59,-0.1 3,-0.7 -0.256 47.9-114.0 -54.3 134.5 -0.1 40.7 -6.7 68 69 A D T 34 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.805 113.0 42.4 -42.1 -48.3 -0.9 38.7 -9.9 69 70 A D T 34 S+ 0 0 61 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.846 120.1 41.9 -75.8 -33.1 1.4 35.7 -9.1 70 71 A F T X> S+ 0 0 0 -3,-0.7 4,-2.2 1,-0.1 3,-0.9 0.876 95.1 79.4 -83.6 -30.5 0.4 35.5 -5.3 71 72 A A H 3X S+ 0 0 23 -4,-2.8 4,-2.2 1,-0.2 -2,-0.1 0.828 93.3 47.0 -48.8 -48.8 -3.4 36.1 -5.6 72 73 A P H 3> S+ 0 0 58 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.842 113.3 49.6 -57.6 -36.4 -4.4 32.4 -6.7 73 74 A L H <4 S+ 0 0 8 -3,-0.9 -2,-0.2 -4,-0.4 6,-0.2 0.891 109.1 52.7 -69.5 -38.6 -2.2 30.9 -3.9 74 75 A F H >< S+ 0 0 23 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.927 108.8 50.4 -57.3 -50.8 -3.9 33.3 -1.5 75 76 A D H 3< S+ 0 0 111 -4,-2.2 3,-0.5 1,-0.3 -2,-0.2 0.927 114.1 43.7 -55.5 -43.3 -7.3 32.0 -2.7 76 77 A E T >< S+ 0 0 87 -4,-2.1 3,-1.8 1,-0.2 4,-0.4 0.030 73.8 123.5 -94.5 32.3 -6.2 28.4 -2.3 77 78 A M G X + 0 0 1 -3,-1.5 3,-1.0 1,-0.3 4,-0.4 0.800 66.1 65.8 -67.8 -24.4 -4.6 29.0 1.2 78 79 A E G 3 S+ 0 0 152 -3,-0.5 3,-0.4 1,-0.2 -1,-0.3 0.795 99.0 54.9 -63.1 -25.0 -6.9 26.3 2.7 79 80 A N G < S+ 0 0 72 -3,-1.8 -35,-3.2 1,-0.2 -1,-0.2 0.566 88.4 79.9 -84.6 -15.2 -5.0 23.7 0.4 80 81 A M S < S- 0 0 1 -3,-1.0 -34,-2.4 -4,-0.4 -33,-0.4 0.716 95.6-122.4 -72.0 -25.4 -1.5 24.6 1.7 81 82 A G + 0 0 32 -3,-0.4 -3,-0.1 -4,-0.4 -2,-0.1 0.924 54.6 151.9 83.2 48.1 -1.5 22.7 4.9 82 83 A L > + 0 0 6 -5,-0.4 3,-3.0 -4,-0.1 35,-0.3 0.588 21.0 129.8 -86.5 -14.2 -0.8 25.6 7.3 83 84 A K T 3 S- 0 0 169 1,-0.3 33,-0.3 33,-0.1 32,-0.2 -0.196 86.0 -0.2 -54.9 127.9 -2.5 24.2 10.4 84 85 A G T 3 S+ 0 0 59 31,-3.0 -1,-0.3 1,-0.2 32,-0.2 0.496 103.4 127.4 68.2 11.4 -0.2 24.4 13.4 85 86 A K < - 0 0 45 -3,-3.0 32,-3.5 30,-0.0 2,-0.4 -0.584 63.3-116.1 -93.3 155.6 2.6 26.0 11.2 86 87 A K E -cd 51 117A 48 -36,-1.7 -34,-1.9 30,-0.2 2,-0.3 -0.779 40.8-178.6 -88.7 141.2 4.3 29.2 12.3 87 88 A L E -cd 52 118A 2 30,-2.3 32,-2.0 -2,-0.4 33,-0.5 -0.993 19.0-179.2-144.0 147.2 3.7 32.1 9.9 88 89 A A E -c 53 0A 0 -36,-1.5 -34,-2.5 -2,-0.3 2,-0.3 -0.975 16.6-143.7-141.7 153.1 4.7 35.7 9.3 89 90 A A E +c 54 0A 0 31,-0.3 34,-2.2 -2,-0.3 2,-0.3 -0.844 16.3 177.2-116.4 153.1 3.7 38.1 6.6 90 91 A F E +ce 55 123A 0 -36,-1.4 -34,-1.0 -2,-0.3 2,-0.3 -0.944 4.3 174.9-145.6 163.1 5.7 41.0 4.9 91 92 A A E - e 0 124A 0 32,-0.7 34,-1.8 -2,-0.3 2,-0.4 -0.967 27.3-134.3-167.9 150.8 5.1 43.4 2.0 92 93 A S E + e 0 125A 6 -2,-0.3 -34,-0.4 32,-0.2 2,-0.2 -0.935 41.8 150.0-103.6 146.0 6.3 46.4 0.1 93 94 A G E - e 0 126A 21 32,-2.5 34,-1.4 -2,-0.4 2,-0.3 -0.761 42.2-112.9-152.3-167.1 3.8 49.2 -0.6 94 95 A D > - 0 0 68 -2,-0.2 3,-1.6 32,-0.2 7,-0.1 -0.968 14.0-143.8-146.4 126.5 3.5 52.8 -1.1 95 96 A M T 3 S+ 0 0 120 -2,-0.3 5,-0.1 1,-0.3 4,-0.1 0.622 94.7 74.7 -72.4 -15.5 1.7 55.1 1.4 96 97 A E T 3 S+ 0 0 171 2,-0.0 -1,-0.3 -3,-0.0 2,-0.3 0.690 91.5 71.3 -61.0 -22.0 0.3 57.2 -1.3 97 98 A Y S < S- 0 0 122 -3,-1.6 3,-0.4 1,-0.1 -36,-0.1 -0.683 88.2-112.7-104.6 148.4 -2.2 54.4 -2.0 98 99 A E S S+ 0 0 126 -2,-0.3 4,-0.2 1,-0.2 3,-0.1 -0.287 102.3 39.5 -65.3 163.2 -5.1 53.2 -0.1 99 100 A H S > S- 0 0 81 1,-0.2 3,-2.3 2,-0.1 -1,-0.2 0.902 83.6-158.0 52.7 44.3 -4.7 49.7 1.4 100 101 A Y T 3 S- 0 0 68 -3,-0.4 -1,-0.2 1,-0.3 -5,-0.1 -0.360 78.4 -11.9 -52.9 115.9 -1.0 50.4 2.3 101 102 A C T > S+ 0 0 3 -2,-0.2 3,-0.9 -3,-0.1 -1,-0.3 0.861 87.3 167.7 47.7 44.7 0.6 46.9 2.5 102 103 A G T <> + 0 0 9 -3,-2.3 4,-1.3 1,-0.2 5,-0.2 0.716 62.1 70.6 -57.3 -26.4 -3.0 45.4 2.5 103 104 A A H 3> S+ 0 0 0 -47,-0.3 4,-2.7 -4,-0.2 5,-0.3 0.925 88.2 65.0 -63.0 -38.9 -1.7 41.9 1.9 104 105 A V H <> S+ 0 0 2 -3,-0.9 4,-2.8 1,-0.2 5,-0.2 0.930 106.9 35.8 -54.1 -62.1 -0.2 41.6 5.5 105 106 A P H > S+ 0 0 61 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.879 118.6 53.9 -63.2 -29.9 -3.5 41.8 7.6 106 107 A A H X S+ 0 0 6 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.922 112.1 42.1 -67.5 -42.8 -5.3 39.8 4.9 107 108 A I H X S+ 0 0 0 -4,-2.7 4,-3.1 -3,-0.2 5,-0.3 0.970 117.3 48.8 -70.5 -51.8 -2.7 37.0 5.0 108 109 A E H X S+ 0 0 27 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.881 112.5 47.2 -51.7 -45.5 -2.6 37.1 8.9 109 110 A E H X S+ 0 0 125 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.951 117.4 43.0 -64.1 -49.2 -6.4 37.0 9.2 110 111 A K H X S+ 0 0 56 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.870 115.0 47.7 -69.0 -35.2 -6.7 34.1 6.7 111 112 A A H <>S+ 0 0 0 -4,-3.1 5,-2.4 2,-0.2 3,-0.3 0.909 110.9 52.2 -75.9 -32.8 -3.7 32.1 8.2 112 113 A R H ><5S+ 0 0 142 -4,-2.3 3,-2.0 -5,-0.3 -2,-0.2 0.965 108.4 51.6 -61.2 -49.3 -5.0 32.6 11.7 113 114 A G H 3<5S+ 0 0 68 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.748 105.6 56.1 -60.6 -28.4 -8.4 31.3 10.5 114 115 A L T 3<5S- 0 0 48 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.384 124.2 -97.6 -89.2 7.7 -6.7 28.2 9.0 115 116 A G T < 5S+ 0 0 32 -3,-2.0 -31,-3.0 1,-0.3 -3,-0.2 0.544 77.6 140.1 90.2 6.1 -5.0 27.1 12.2 116 117 A A < - 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