==== 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 3KAP . 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) . 7082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 73.5 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 . 1 0.7 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 . 9 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 15.0 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 55 0, 0.0 30,-1.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 128.3 13.7 25.0 11.5 2 3 A K E -a 31 0A 76 28,-0.2 48,-2.8 46,-0.1 49,-1.4 -0.931 360.0-159.7 -99.8 121.8 13.3 24.9 7.8 3 4 A V E -ab 32 51A 0 28,-2.8 30,-2.2 -2,-0.5 2,-0.4 -0.883 9.6-156.7-109.1 136.1 11.8 28.2 6.6 4 5 A L E -ab 33 52A 2 47,-2.3 49,-2.7 -2,-0.4 2,-0.5 -0.943 5.9-161.3-104.3 134.9 10.0 28.9 3.3 5 6 A I E -ab 34 53A 0 28,-2.8 30,-2.8 -2,-0.4 2,-0.5 -0.979 11.0-174.5-116.8 118.3 10.0 32.5 2.1 6 7 A L E +ab 35 54A 0 47,-2.6 49,-1.9 -2,-0.5 2,-0.3 -0.955 7.3 174.5-115.7 125.2 7.2 33.0 -0.5 7 8 A F E -ab 36 55A 7 28,-1.9 30,-3.5 -2,-0.5 2,-0.4 -0.954 25.9-159.0-136.0 151.4 6.9 36.4 -2.3 8 9 A G E + b 0 56A 0 47,-1.6 49,-0.7 -2,-0.3 2,-0.3 -0.999 27.4 166.6-120.8 127.3 4.9 38.0 -5.0 9 10 A S - 0 0 13 -2,-0.4 29,-0.1 47,-0.1 -2,-0.0 -0.966 24.6-175.6-149.5 122.8 6.6 41.1 -6.5 10 11 A S S S+ 0 0 59 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 0.819 93.7 20.0 -88.1 -36.4 5.9 43.1 -9.7 11 12 A T S S- 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.388 113.7-101.0-114.1 5.1 8.8 45.7 -9.7 12 13 A G S > S+ 0 0 21 116,-0.0 4,-2.2 3,-0.0 5,-0.2 0.395 88.3 116.1 95.3 -1.7 11.1 43.8 -7.3 13 14 A N H > S+ 0 0 56 2,-0.2 4,-1.3 1,-0.2 116,-0.5 0.970 84.4 36.4 -68.7 -50.5 10.5 45.7 -4.0 14 15 A T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.819 114.5 60.1 -68.9 -30.7 9.0 42.8 -2.0 15 16 A E H > S+ 0 0 84 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.930 102.7 50.5 -59.8 -46.4 11.4 40.5 -3.7 16 17 A S H X S+ 0 0 31 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.855 110.8 49.9 -60.6 -33.2 14.4 42.6 -2.3 17 18 A I H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.954 109.7 50.3 -68.1 -48.4 12.8 42.2 1.1 18 19 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.878 111.2 49.8 -57.1 -40.4 12.4 38.5 0.7 19 20 A Q H X S+ 0 0 90 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.927 110.2 48.1 -65.8 -45.5 16.1 38.2 -0.4 20 21 A K H X S+ 0 0 68 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.908 112.1 51.9 -64.8 -36.3 17.4 40.2 2.6 21 22 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.909 106.1 52.9 -67.5 -39.8 15.2 38.0 4.9 22 23 A E H X S+ 0 0 53 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.942 109.9 49.4 -56.7 -48.3 16.6 34.9 3.4 23 24 A E H X S+ 0 0 94 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.946 115.4 42.2 -58.2 -50.9 20.1 36.1 4.1 24 25 A L H X S+ 0 0 40 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.859 116.2 46.4 -71.1 -33.9 19.4 37.0 7.7 25 26 A V H <>S+ 0 0 0 -4,-2.9 5,-0.7 2,-0.2 -1,-0.2 0.884 114.6 48.3 -75.1 -35.8 17.3 33.9 8.6 26 27 A A H >X5S+ 0 0 34 -4,-2.5 3,-2.3 -5,-0.3 4,-0.6 0.923 107.2 56.4 -65.7 -41.6 19.9 31.7 7.0 27 28 A A H 3<5S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.838 98.5 62.0 -59.2 -33.8 22.7 33.5 8.9 28 29 A G T 3<5S- 0 0 46 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.452 130.0 -94.0 -71.9 -0.6 20.8 32.7 12.1 29 30 A G T <45S+ 0 0 64 -3,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.843 80.1 131.9 93.5 39.2 21.4 28.9 11.4 30 31 A H << - 0 0 38 -5,-0.7 2,-0.5 -4,-0.6 -1,-0.3 -0.902 62.1-116.4-121.0 151.0 18.1 27.9 9.5 31 32 A E E -a 2 0A 125 -30,-1.4 -28,-2.8 -2,-0.3 2,-0.4 -0.788 45.6-167.5 -78.9 124.8 17.7 25.9 6.3 32 33 A V E -a 3 0A 30 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.984 18.3-164.0-129.4 134.3 15.9 28.5 4.1 33 34 A T E -a 4 0A 48 -30,-2.2 -28,-2.8 -2,-0.4 2,-0.5 -0.964 8.8-153.8-115.7 129.2 14.1 28.3 0.7 34 35 A L E +a 5 0A 66 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.910 20.1 177.4 -99.2 122.1 13.4 31.3 -1.5 35 36 A L E -a 6 0A 32 -30,-2.8 -28,-1.9 -2,-0.5 2,-0.4 -0.977 24.1-142.1-131.7 122.8 10.3 30.9 -3.7 36 37 A N E > -a 7 0A 35 -2,-0.4 3,-2.0 -30,-0.2 -28,-0.2 -0.685 21.7-130.1 -76.1 137.4 8.7 33.4 -6.1 37 38 A A G > S+ 0 0 4 -30,-3.5 3,-1.6 -2,-0.4 -29,-0.2 0.779 103.4 74.2 -59.6 -27.8 4.9 33.1 -6.1 38 39 A A G 3 S+ 0 0 58 -31,-0.3 -1,-0.3 1,-0.3 -30,-0.1 0.789 106.8 32.5 -56.9 -28.5 5.1 33.0 -9.9 39 40 A E G < S+ 0 0 151 -3,-2.0 -1,-0.3 2,-0.0 2,-0.3 0.067 100.5 102.9-121.5 25.0 6.4 29.4 -9.7 40 41 A A < - 0 0 18 -3,-1.6 2,-0.4 29,-0.1 33,-0.0 -0.695 53.0-152.3-108.6 159.6 4.6 28.1 -6.6 41 42 A S - 0 0 90 -2,-0.3 4,-0.1 2,-0.1 -2,-0.0 -0.999 11.9-145.0-129.8 128.7 1.6 25.9 -6.1 42 43 A A > + 0 0 3 -2,-0.4 3,-2.3 2,-0.1 4,-0.3 0.846 66.2 108.0 -65.0 -34.8 -0.6 26.3 -3.0 43 44 A D T 3 S- 0 0 64 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.269 108.1 -25.2 -61.0 111.5 -1.5 22.6 -2.6 44 45 A N T > S+ 0 0 97 35,-3.1 3,-1.6 -2,-0.1 -1,-0.3 0.696 88.2 152.2 52.5 36.7 0.5 21.4 0.4 45 46 A L T < + 0 0 30 -3,-2.3 36,-0.1 1,-0.3 -2,-0.1 0.815 65.4 56.7 -61.0 -34.9 3.1 24.1 -0.0 46 47 A A T > S+ 0 0 2 34,-2.3 3,-2.2 -4,-0.3 -1,-0.3 0.508 76.0 126.3 -81.3 -0.9 4.0 24.2 3.7 47 48 A D T < S+ 0 0 91 -3,-1.6 3,-0.1 33,-0.4 35,-0.0 -0.361 78.4 14.2 -65.8 124.3 4.8 20.5 3.9 48 49 A G T 3 S+ 0 0 43 1,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.398 106.6 103.5 93.2 1.2 8.3 20.0 5.3 49 50 A Y < - 0 0 49 -3,-2.2 -1,-0.3 1,-0.1 -46,-0.2 -0.839 53.8-160.2-115.7 150.8 8.6 23.6 6.6 50 51 A D S S+ 0 0 82 -48,-2.8 36,-1.9 -2,-0.3 2,-0.3 0.712 80.9 21.1 -94.3 -26.6 8.3 24.7 10.1 51 52 A A E -bc 3 86A 2 -49,-1.4 -47,-2.3 34,-0.2 2,-0.4 -0.976 60.8-158.4-145.7 142.8 7.7 28.4 9.2 52 53 A V E -bc 4 87A 2 34,-2.0 36,-1.5 -2,-0.3 2,-0.6 -0.999 2.6-163.5-124.9 126.0 6.5 30.3 6.2 53 54 A L E -bc 5 88A 3 -49,-2.7 -47,-2.6 -2,-0.4 2,-0.4 -0.983 20.7-177.9-106.5 115.8 7.3 34.0 5.7 54 55 A M E +bc 6 89A 1 34,-2.2 36,-1.4 -2,-0.6 2,-0.3 -0.934 7.7 158.0-118.8 143.5 4.8 35.3 3.0 55 56 A G E +bc 7 90A 0 -49,-1.9 -47,-1.6 -2,-0.4 2,-0.3 -0.989 6.4 159.0-162.3 152.4 4.6 38.7 1.6 56 57 A C E -b 8 0A 1 34,-1.0 47,-0.3 -2,-0.3 48,-0.2 -0.982 36.1 -96.6-165.3 164.9 3.5 40.8 -1.4 57 58 A S - 0 0 13 -49,-0.7 10,-1.9 -2,-0.3 2,-0.3 -0.441 33.1-128.5 -78.3 158.9 2.5 44.2 -2.7 58 59 A A B -F 66 0B 30 34,-0.3 8,-0.2 8,-0.2 43,-0.1 -0.825 21.9-179.8-114.9 149.4 -1.1 45.5 -3.0 59 60 A W + 0 0 119 6,-3.2 7,-0.1 -2,-0.3 5,-0.1 0.295 56.0 79.4-135.6 10.0 -2.5 46.9 -6.2 60 61 A G > - 0 0 15 5,-0.5 3,-2.1 3,-0.3 2,-0.2 0.357 58.8-161.8-115.2 8.8 -6.1 48.0 -5.8 61 62 A M T 3 S+ 0 0 110 37,-0.3 -1,-0.2 1,-0.3 4,-0.1 -0.287 89.5 25.9 50.9-101.7 -6.2 51.5 -4.0 62 63 A E T 3 S+ 0 0 69 -2,-0.2 -1,-0.3 2,-0.1 2,-0.3 0.800 132.2 40.7 -61.7 -33.2 -9.9 51.5 -2.9 63 64 A D S < S- 0 0 119 -3,-2.1 2,-0.6 35,-0.1 -3,-0.3 -0.744 93.8-108.1-110.9 156.9 -10.1 47.7 -2.8 64 65 A L + 0 0 68 -2,-0.3 2,-0.4 -5,-0.1 -2,-0.1 -0.773 43.8 168.7 -81.4 125.7 -7.5 45.2 -1.6 65 66 A E - 0 0 105 -2,-0.6 -6,-3.2 -4,-0.1 -5,-0.5 -0.969 23.4-141.8-136.2 122.6 -6.1 43.5 -4.6 66 67 A L B -F 58 0B 14 -2,-0.4 -8,-0.2 -8,-0.2 5,-0.1 -0.447 37.6 -73.7 -82.8 156.4 -3.0 41.4 -4.1 67 68 A Q >> - 0 0 3 -10,-1.9 4,-2.6 -59,-0.1 3,-1.3 -0.231 50.6-114.5 -44.1 132.6 0.0 41.1 -6.4 68 69 A D T 34 S+ 0 0 123 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.779 112.7 45.1 -46.8 -42.4 -1.0 38.9 -9.5 69 70 A D T 34 S+ 0 0 62 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.813 119.2 42.2 -74.7 -28.2 1.4 36.0 -8.8 70 71 A F T X> S+ 0 0 0 -3,-1.3 4,-2.3 1,-0.1 3,-0.5 0.833 95.5 76.5 -87.9 -35.1 0.4 35.9 -5.1 71 72 A A H 3X S+ 0 0 22 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.840 93.9 48.8 -51.4 -45.9 -3.3 36.4 -5.3 72 73 A P H 3> S+ 0 0 59 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.893 113.3 49.7 -60.4 -35.1 -4.3 32.8 -6.5 73 74 A L H <4 S+ 0 0 9 -3,-0.5 -2,-0.2 -4,-0.4 7,-0.1 0.901 109.6 50.8 -69.7 -38.4 -2.0 31.4 -3.7 74 75 A F H >< S+ 0 0 29 -4,-2.3 3,-1.7 1,-0.2 4,-0.2 0.942 109.0 51.8 -61.6 -48.4 -3.7 33.7 -1.2 75 76 A D H 3< S+ 0 0 114 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.815 114.1 43.4 -59.3 -29.7 -7.1 32.4 -2.4 76 77 A E T >< S+ 0 0 87 -4,-1.4 3,-1.9 1,-0.2 4,-0.4 0.073 73.4 122.9-104.7 27.0 -6.0 28.8 -1.9 77 78 A M G X + 0 0 1 -3,-1.7 3,-1.6 1,-0.3 4,-0.4 0.835 65.3 68.3 -59.0 -30.0 -4.3 29.3 1.4 78 79 A E G 3 S+ 0 0 154 -3,-0.3 3,-0.5 1,-0.3 -1,-0.3 0.823 97.8 52.9 -58.3 -27.6 -6.6 26.6 2.9 79 80 A N G < S+ 0 0 79 -3,-1.9 -35,-3.1 1,-0.2 -1,-0.3 0.541 87.0 83.3 -85.9 -10.6 -4.8 24.0 0.8 80 81 A M S < S- 0 0 1 -3,-1.6 -34,-2.3 -4,-0.4 -33,-0.4 0.732 95.0-120.5 -70.8 -27.1 -1.2 24.9 1.9 81 82 A G + 0 0 29 -3,-0.5 4,-0.1 -4,-0.4 -2,-0.1 0.882 57.5 150.2 85.9 46.5 -1.1 22.9 5.1 82 83 A L > + 0 0 6 -5,-0.4 3,-1.9 -4,-0.1 35,-0.3 0.592 22.5 123.1 -89.1 -12.6 -0.4 25.8 7.5 83 84 A K T 3 S+ 0 0 173 1,-0.3 33,-0.3 33,-0.1 32,-0.2 -0.315 88.3 5.4 -61.6 128.5 -2.2 24.5 10.6 84 85 A G T 3 S+ 0 0 56 31,-3.1 -1,-0.3 1,-0.3 32,-0.1 0.022 105.0 120.4 84.6 -20.3 0.3 24.4 13.4 85 86 A K < - 0 0 43 -3,-1.9 32,-3.3 -4,-0.1 2,-0.3 -0.260 65.9-116.0 -74.5 155.9 3.0 26.2 11.3 86 87 A K E -cd 51 117A 54 -36,-1.9 -34,-2.0 30,-0.2 2,-0.3 -0.708 37.6-175.4 -87.2 146.9 4.6 29.5 12.3 87 88 A L E -cd 52 118A 2 30,-2.5 32,-2.6 -2,-0.3 33,-0.5 -0.997 18.0-179.6-146.2 148.5 4.0 32.4 10.0 88 89 A A E -c 53 0A 0 -36,-1.5 -34,-2.2 -2,-0.3 2,-0.3 -0.975 17.3-144.6-143.3 148.9 5.0 36.0 9.5 89 90 A A E +c 54 0A 0 31,-0.4 34,-2.1 -2,-0.3 2,-0.3 -0.828 16.3 177.1-111.4 151.4 3.9 38.5 6.8 90 91 A F E +ce 55 123A 0 -36,-1.4 -34,-1.0 -2,-0.3 2,-0.3 -0.961 3.6 177.5-146.4 161.2 5.9 41.3 5.1 91 92 A A E - e 0 124A 0 32,-1.0 34,-1.9 -2,-0.3 2,-0.4 -0.973 26.1-139.0-164.8 149.2 5.1 43.8 2.3 92 93 A S E + e 0 125A 5 -2,-0.3 -34,-0.3 32,-0.2 2,-0.3 -0.891 42.1 148.8-103.6 144.9 6.5 46.7 0.3 93 94 A G E - e 0 126A 20 32,-2.0 34,-1.1 -2,-0.4 2,-0.4 -0.900 43.4-111.0-156.6-169.2 3.9 49.4 -0.4 94 95 A D > - 0 0 69 -2,-0.3 3,-1.9 32,-0.2 7,-0.1 -0.982 13.3-145.0-141.8 123.9 3.5 53.1 -0.9 95 96 A M T 3 S+ 0 0 121 -2,-0.4 5,-0.1 1,-0.3 -1,-0.1 0.555 93.8 75.0 -68.3 -15.4 1.8 55.3 1.7 96 97 A E T 3 S+ 0 0 170 2,-0.1 -1,-0.3 -3,-0.0 2,-0.3 0.664 92.5 72.2 -64.0 -19.1 0.4 57.6 -1.0 97 98 A Y S < S- 0 0 131 -3,-1.9 3,-0.3 1,-0.1 2,-0.1 -0.701 88.3-109.4-103.4 156.3 -2.1 54.8 -1.7 98 99 A E S S+ 0 0 126 -2,-0.3 -37,-0.3 1,-0.2 4,-0.2 -0.284 102.5 36.7 -67.5 160.3 -5.1 53.4 0.2 99 100 A H S > S- 0 0 86 1,-0.2 3,-2.5 -37,-0.1 4,-0.2 0.926 85.0-154.5 52.3 49.5 -4.6 50.0 1.7 100 101 A Y T 3 S- 0 0 66 -3,-0.3 -1,-0.2 1,-0.3 -5,-0.1 -0.383 77.6 -16.3 -55.3 116.5 -0.9 50.7 2.6 101 102 A C T > S+ 0 0 3 -2,-0.2 3,-1.8 -3,-0.2 -1,-0.3 0.804 88.9 165.9 50.8 35.5 0.7 47.3 2.8 102 103 A G T <> + 0 0 7 -3,-2.5 4,-1.5 1,-0.3 5,-0.2 0.716 60.7 71.8 -54.6 -23.8 -2.8 45.8 3.0 103 104 A A H 3> S+ 0 0 0 -47,-0.3 4,-2.7 -4,-0.2 5,-0.3 0.895 89.2 64.9 -63.7 -30.2 -1.6 42.3 2.2 104 105 A V H <> S+ 0 0 2 -3,-1.8 4,-2.4 1,-0.2 3,-0.2 0.958 106.5 35.9 -62.9 -60.9 -0.0 42.1 5.7 105 106 A P H > S+ 0 0 64 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.862 118.2 55.3 -56.5 -33.0 -3.3 42.2 7.9 106 107 A A H X S+ 0 0 8 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.909 110.8 42.1 -70.0 -40.4 -5.1 40.2 5.2 107 108 A I H X S+ 0 0 0 -4,-2.7 4,-3.1 -3,-0.2 5,-0.3 0.923 115.0 51.5 -69.5 -46.1 -2.5 37.3 5.3 108 109 A E H X S+ 0 0 24 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.936 112.6 45.1 -58.7 -46.6 -2.3 37.4 9.1 109 110 A E H X S+ 0 0 123 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.950 116.4 45.4 -60.5 -52.1 -6.1 37.2 9.5 110 111 A K H X S+ 0 0 59 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.949 113.8 49.8 -61.2 -41.5 -6.5 34.5 7.0 111 112 A A H ><>S+ 0 0 0 -4,-3.1 5,-2.3 2,-0.2 3,-0.5 0.891 109.0 50.7 -65.7 -42.8 -3.5 32.5 8.5 112 113 A R H ><5S+ 0 0 143 -4,-2.4 3,-2.1 -5,-0.3 -1,-0.2 0.958 107.0 56.0 -56.9 -45.7 -4.9 32.7 12.0 113 114 A G H 3<5S+ 0 0 68 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.750 106.4 50.6 -58.0 -29.5 -8.2 31.4 10.7 114 115 A L T <<5S- 0 0 49 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.291 124.5 -96.7 -96.2 9.7 -6.5 28.3 9.3 115 116 A G T < 5S+ 0 0 34 -3,-2.1 -31,-3.1 1,-0.3 -3,-0.2 0.621 76.2 140.3 91.1 8.9 -4.6 27.4 12.5 116 117 A A < - 0 0 9 -5,-2.3 2,-0.7 -33,-0.3 -1,-0.3 -0.523 52.4-128.2 -80.4 155.7 -1.2 29.0 11.7 117 118 A E E -d 86 0A 102 -32,-3.3 -30,-2.5 -35,-0.3 2,-0.7 -0.911 17.9-145.5-102.2 109.3 0.6 30.7 14.5 118 119 A V E -d 87 0A 26 -2,-0.7 -30,-0.2 -32,-0.2 3,-0.1 -0.729 9.2-157.5 -89.7 118.2 1.6 34.2 13.4 119 120 A I - 0 0 9 -32,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.763 59.3 -19.1 -67.7 -34.9 4.8 34.8 15.1 120 121 A C S S- 0 0 28 -33,-0.5 -31,-0.4 -31,-0.0 2,-0.2 -0.947 85.5 -62.1-162.2-179.9 4.9 38.6 15.1 121 122 A E - 0 0 80 -2,-0.3 -17,-0.0 1,-0.1 -2,-0.0 -0.513 65.2-102.7 -73.0 138.7 3.4 41.7 13.5 122 123 A G - 0 0 14 -2,-0.2 2,-0.3 1,-0.1 -32,-0.3 -0.119 31.8-106.0 -67.5 153.3 4.2 41.9 9.7 123 124 A L E -e 90 0A 11 -34,-2.1 -32,-1.0 -3,-0.1 2,-0.5 -0.635 31.5-168.7 -80.6 136.1 6.8 44.1 8.2 124 125 A K E +e 91 0A 102 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.991 15.5 165.7-127.9 117.3 5.5 47.1 6.4 125 126 A I E -e 92 0A 1 -34,-1.9 -32,-2.0 -2,-0.5 2,-0.5 -0.939 32.7-132.7-131.5 146.0 8.1 49.0 4.3 126 127 A E E S-e 93 0A 85 -2,-0.3 -32,-0.2 -34,-0.2 2,-0.2 -0.918 77.9 -13.3 -91.5 130.7 7.9 51.7 1.6 127 128 A G S S- 0 0 27 -34,-1.1 2,-0.1 -2,-0.5 -2,-0.1 -0.516 109.8 -26.1 79.7-148.1 10.1 50.9 -1.4 128 129 A D >> - 0 0 55 -2,-0.2 3,-2.1 -36,-0.1 4,-0.6 -0.462 68.6 -89.9-106.6 177.0 12.7 48.3 -1.3 129 130 A A G >4 S+ 0 0 12 -116,-0.5 3,-0.9 1,-0.3 7,-0.2 0.809 122.3 56.3 -55.9 -35.2 14.8 46.7 1.4 130 131 A S G 34 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.568 95.5 66.2 -76.9 -5.3 17.7 49.3 1.1 131 132 A S G <4 S+ 0 0 66 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.774 122.0 15.3 -82.1 -23.6 15.2 52.1 1.7 132 133 A D S XX S+ 0 0 62 -3,-0.9 4,-1.6 -4,-0.6 3,-0.9 -0.333 71.2 161.1-146.5 69.8 14.7 50.9 5.3 133 134 A P H 3> S+ 0 0 64 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.779 73.6 56.0 -64.7 -29.5 17.4 48.4 6.3 134 135 A D H 3> S+ 0 0 126 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.815 105.0 50.3 -76.3 -31.8 16.9 48.7 10.0 135 136 A A H <> S+ 0 0 30 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.897 112.5 48.6 -73.2 -38.0 13.2 47.8 10.0 136 137 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 -7,-0.2 -2,-0.2 0.961 113.1 48.0 -62.2 -49.5 14.1 44.7 7.9 137 138 A S H X S+ 0 0 36 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.903 111.8 48.5 -60.3 -42.7 16.9 43.8 10.3 138 139 A A H X S+ 0 0 42 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.872 111.0 50.4 -67.5 -37.4 14.6 44.2 13.4 139 140 A F H X S+ 0 0 6 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.916 110.3 49.5 -65.2 -43.7 11.8 42.1 11.9 140 141 A A H X S+ 0 0 2 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.930 110.0 52.0 -60.8 -41.8 14.3 39.3 11.0 141 142 A E H X S+ 0 0 121 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.908 109.0 50.7 -58.8 -45.1 15.6 39.5 14.6 142 143 A D H X S+ 0 0 77 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.878 112.2 45.8 -61.9 -39.1 11.9 39.2 15.8 143 144 A V H >X S+ 0 0 1 -4,-2.2 4,-1.1 1,-0.2 3,-1.0 0.929 108.7 56.0 -73.3 -41.1 11.4 36.1 13.6 144 145 A L H 3< S+ 0 0 51 -4,-3.0 3,-0.5 1,-0.3 -2,-0.2 0.872 106.1 50.7 -59.6 -36.3 14.7 34.5 14.7 145 146 A K H 3< S+ 0 0 182 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.758 113.9 46.6 -70.5 -25.4 13.7 34.7 18.4 146 147 A K H << 0 0 112 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.551 360.0 360.0 -94.0 -11.6 10.4 33.1 17.6 147 148 A L < 0 0 61 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.1 0.772 360.0 360.0 -78.8 360.0 11.7 30.2 15.4