==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 11-NOV-04 1XYY . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR R.ARTALI,N.MARCHINI,F.MENEGHETTI,D.CAVAZZINI,G.BOMBIERI,G.L. . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7111.0 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 . 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 . 13 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 13.6 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 1 1 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 A 0 0 63 0, 0.0 30,-3.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 127.2 120.0 -54.9 -188.1 2 3 A K E -a 31 0A 81 28,-0.2 48,-1.6 46,-0.1 49,-1.5 -0.971 360.0-167.8-119.6 128.5 117.8 -51.9 -188.3 3 4 A A E -ab 32 51A 0 28,-3.6 30,-4.2 -2,-0.5 2,-0.5 -0.935 9.1-161.2-120.2 138.8 114.7 -51.8 -190.7 4 5 A L E -ab 33 52A 0 47,-2.4 49,-2.2 -2,-0.4 2,-0.5 -0.945 7.7-170.3-115.8 132.9 112.5 -49.0 -191.7 5 6 A I E -ab 34 53A 0 28,-2.5 30,-2.9 -2,-0.5 2,-0.5 -0.991 3.0-174.3-125.7 117.1 109.1 -49.8 -193.1 6 7 A V E -ab 35 54A 0 47,-1.9 49,-2.8 -2,-0.5 2,-0.4 -0.972 7.7-170.0-115.1 128.4 107.1 -47.0 -194.7 7 8 A Y E -ab 36 55A 23 28,-1.4 30,-3.9 -2,-0.5 2,-0.5 -0.953 22.0-162.6-125.5 142.9 103.6 -47.6 -195.9 8 9 A G E + b 0 56A 0 47,-2.1 49,-1.3 -2,-0.4 2,-0.4 -0.983 33.8 158.2-114.4 113.2 101.0 -45.7 -197.9 9 10 A S + 0 0 13 -2,-0.5 -2,-0.1 47,-0.2 60,-0.0 -0.999 26.4 178.9-146.2 136.7 97.6 -47.3 -197.2 10 11 A T S S+ 0 0 83 -2,-0.4 -1,-0.1 58,-0.0 0, 0.0 0.746 89.6 27.6-109.1 -40.5 94.1 -46.0 -197.5 11 12 A T S S- 0 0 93 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.372 111.7-107.3-104.4 11.7 91.9 -48.9 -196.4 12 13 A G S > S+ 0 0 18 4,-0.0 4,-2.3 3,-0.0 5,-0.2 0.358 89.2 114.0 84.8 -3.0 94.5 -50.4 -194.1 13 14 A N H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.955 81.6 41.8 -65.2 -47.4 95.3 -53.4 -196.3 14 15 A T H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.749 114.8 52.9 -68.7 -26.8 98.9 -52.4 -197.0 15 16 A E H > S+ 0 0 62 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.852 108.2 49.4 -74.8 -40.0 99.4 -51.3 -193.4 16 17 A Y H X S+ 0 0 46 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.939 111.8 49.8 -67.0 -35.7 98.2 -54.6 -192.1 17 18 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.906 110.9 49.9 -63.9 -40.7 100.8 -56.1 -194.7 18 19 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.840 108.8 51.6 -65.3 -39.7 103.4 -53.8 -193.2 19 20 A E H X S+ 0 0 103 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.904 111.2 49.3 -62.9 -41.9 102.5 -54.9 -189.6 20 21 A T H X S+ 0 0 14 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.910 110.3 47.9 -62.5 -42.9 102.9 -58.5 -190.7 21 22 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.937 112.5 52.3 -66.5 -41.0 106.3 -58.0 -192.3 22 23 A A H X S+ 0 0 15 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.836 105.9 51.6 -66.3 -34.7 107.4 -56.1 -189.2 23 24 A R H X S+ 0 0 152 -4,-2.0 4,-3.5 2,-0.2 -1,-0.2 0.965 111.0 47.4 -68.6 -46.2 106.4 -58.9 -186.8 24 25 A E H X S+ 0 0 21 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.869 115.0 47.4 -60.9 -35.9 108.4 -61.4 -188.8 25 26 A L H <>S+ 0 0 0 -4,-2.0 5,-1.8 2,-0.2 3,-0.3 0.950 116.4 42.1 -69.9 -49.8 111.4 -59.0 -188.9 26 27 A A H ><5S+ 0 0 45 -4,-2.8 3,-3.1 1,-0.2 -2,-0.2 0.941 109.6 59.4 -62.6 -46.9 111.3 -58.2 -185.2 27 28 A D H 3<5S+ 0 0 121 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.837 106.3 51.4 -49.0 -34.4 110.6 -62.0 -184.5 28 29 A A T 3<5S- 0 0 45 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.320 128.7 -93.9 -87.2 5.8 114.0 -62.5 -186.2 29 30 A G T < 5S+ 0 0 63 -3,-3.1 -3,-0.2 1,-0.3 -2,-0.1 0.154 79.2 136.4 106.7 -20.1 116.0 -60.0 -184.2 30 31 A Y < - 0 0 38 -5,-1.8 2,-0.8 -6,-0.2 -1,-0.3 -0.236 56.4-130.3 -63.2 145.8 115.7 -57.0 -186.5 31 32 A E E -a 2 0A 123 -30,-3.1 -28,-3.6 2,-0.0 2,-0.5 -0.930 34.6-161.9 -97.8 115.9 115.0 -53.6 -184.8 32 33 A V E -a 3 0A 44 -2,-0.8 2,-0.7 -30,-0.2 -28,-0.2 -0.885 18.0-166.1-110.7 121.3 112.1 -52.5 -187.0 33 34 A D E -a 4 0A 57 -30,-4.2 -28,-2.5 -2,-0.5 2,-0.6 -0.926 13.1-166.4-105.5 109.4 111.0 -48.9 -187.2 34 35 A S E +a 5 0A 54 -2,-0.7 2,-0.4 -30,-0.2 -28,-0.2 -0.895 10.2 176.2-106.1 117.8 107.5 -48.8 -188.9 35 36 A R E -a 6 0A 86 -30,-2.9 -28,-1.4 -2,-0.6 2,-0.2 -0.976 30.1-125.7-126.3 130.6 106.2 -45.4 -190.2 36 37 A D E > -a 7 0A 47 -2,-0.4 3,-2.7 -30,-0.2 4,-0.3 -0.521 26.5-128.4 -69.3 129.8 102.9 -44.4 -192.1 37 38 A A G > S+ 0 0 4 -30,-3.9 3,-1.2 1,-0.3 -29,-0.2 0.751 104.8 71.4 -55.9 -27.2 103.9 -42.4 -195.2 38 39 A A G 3 S+ 0 0 64 -31,-0.4 -1,-0.3 1,-0.2 -30,-0.1 0.706 101.4 47.8 -65.1 -11.0 101.5 -39.7 -194.3 39 40 A S G < S+ 0 0 83 -3,-2.7 -1,-0.2 2,-0.0 2,-0.2 0.401 95.1 83.6-106.1 0.8 104.0 -38.8 -191.4 40 41 A V < - 0 0 19 -3,-1.2 2,-0.4 -4,-0.3 33,-0.1 -0.612 58.6-146.7-107.6 165.7 107.4 -38.7 -193.0 41 42 A E - 0 0 166 -2,-0.2 4,-0.1 2,-0.1 32,-0.1 -0.982 22.1-134.3-124.6 132.2 109.4 -36.1 -194.9 42 43 A A S > S+ 0 0 11 -2,-0.4 3,-2.9 2,-0.1 4,-0.3 0.840 70.7 114.5 -60.6 -31.3 111.6 -37.7 -197.7 43 44 A G T 3 S- 0 0 61 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.166 104.6 -23.9 -47.9 102.9 114.7 -35.6 -196.7 44 45 A G T > S+ 0 0 33 35,-2.9 3,-1.9 -2,-0.2 -1,-0.3 0.608 91.6 151.0 66.7 16.4 117.3 -38.1 -195.4 45 46 A L T < + 0 0 12 -3,-2.9 36,-0.1 1,-0.3 -2,-0.1 0.776 67.2 45.0 -52.0 -35.2 114.5 -40.5 -194.5 46 47 A F T > S+ 0 0 0 34,-2.1 3,-1.9 -4,-0.3 -1,-0.3 0.449 78.8 133.3 -93.3 2.2 116.5 -43.7 -194.9 47 48 A E T < S+ 0 0 131 -3,-1.9 3,-0.1 1,-0.3 34,-0.0 -0.276 74.8 12.9 -52.6 127.2 119.7 -42.6 -193.1 48 49 A G T 3 S+ 0 0 38 1,-0.3 2,-0.5 2,-0.0 -1,-0.3 0.520 95.8 124.9 88.9 2.0 120.9 -45.2 -190.6 49 50 A F < - 0 0 19 -3,-1.9 -1,-0.3 1,-0.1 37,-0.2 -0.846 47.2-162.9-106.0 133.1 118.8 -48.0 -191.9 50 51 A D S S+ 0 0 88 -48,-1.6 36,-0.4 -2,-0.5 2,-0.4 0.758 84.8 21.0 -76.6 -28.4 120.3 -51.3 -193.0 51 52 A L E -b 3 0A 0 -49,-1.5 -47,-2.4 34,-0.1 2,-0.4 -0.989 63.8-166.8-145.0 134.9 117.1 -52.2 -194.9 52 53 A V E -bc 4 87A 0 34,-2.5 36,-1.0 -2,-0.4 2,-0.4 -0.981 5.2-174.7-121.2 134.0 114.2 -50.1 -196.2 53 54 A L E -bc 5 88A 0 -49,-2.2 -47,-1.9 -2,-0.4 2,-0.4 -0.999 7.7-163.5-126.0 128.2 110.9 -51.7 -197.3 54 55 A L E -bc 6 89A 0 34,-1.6 36,-2.1 -2,-0.4 2,-0.4 -0.969 3.4-168.7-120.0 131.9 108.3 -49.5 -198.9 55 56 A G E +bc 7 90A 0 -49,-2.8 -47,-2.1 -2,-0.4 2,-0.3 -0.946 11.9 163.4-119.5 140.8 104.7 -50.4 -199.3 56 57 A C E -b 8 0A 0 34,-1.5 48,-0.2 -2,-0.4 -47,-0.2 -0.945 25.6-139.8-160.6 129.5 102.0 -48.7 -201.4 57 58 A S - 0 0 10 -49,-1.3 10,-1.3 -2,-0.3 2,-0.4 -0.448 26.7-124.6 -83.7 164.6 98.6 -49.6 -202.7 58 59 A T E +F 66 0B 30 34,-0.9 2,-0.2 8,-0.2 8,-0.2 -0.860 33.1 156.0-121.7 148.4 97.5 -48.5 -206.1 59 60 A W E +F 65 0B 112 6,-2.6 6,-3.4 -2,-0.4 2,-0.1 -0.776 6.9 136.1-147.7-172.1 94.5 -46.6 -207.5 60 61 A G - 0 0 26 -2,-0.2 3,-0.1 4,-0.2 4,-0.1 -0.325 52.4-113.2 130.4 149.7 93.6 -44.5 -210.5 61 62 A D S S- 0 0 138 -2,-0.1 -1,-0.1 3,-0.0 2,-0.0 0.985 104.9 -31.2 -70.9 -69.0 90.7 -44.0 -213.0 62 63 A D S S+ 0 0 120 36,-0.0 3,-0.2 -3,-0.0 36,-0.2 0.516 130.9 73.4-107.1 -87.1 92.6 -45.3 -216.0 63 64 A C S S- 0 0 61 1,-0.2 2,-0.9 -3,-0.1 36,-0.1 0.582 91.7 -97.3 -22.8 165.3 96.1 -44.3 -215.0 64 65 A I - 0 0 61 38,-0.1 2,-0.5 -4,-0.1 -4,-0.2 -0.844 45.0-174.4 -98.8 106.4 98.3 -45.7 -212.3 65 66 A E E -F 59 0B 92 -6,-3.4 -6,-2.6 -2,-0.9 38,-0.2 -0.883 18.0-135.9-108.0 127.6 98.0 -43.6 -209.2 66 67 A L E -F 58 0B 18 -2,-0.5 -8,-0.2 -8,-0.2 5,-0.1 -0.394 44.6 -81.7 -71.7 155.5 100.1 -44.1 -206.1 67 68 A Q >> - 0 0 2 -10,-1.3 3,-1.8 -59,-0.2 4,-1.5 -0.334 48.6-121.0 -56.1 127.4 98.4 -44.0 -202.6 68 69 A D T 34 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.779 109.0 53.4 -49.1 -32.7 98.1 -40.2 -202.0 69 70 A D T 34 S+ 0 0 62 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.766 110.9 50.1 -76.5 -19.2 100.1 -40.2 -198.7 70 71 A F T <> S+ 0 0 0 -3,-1.8 4,-2.3 1,-0.1 3,-0.4 0.786 90.3 79.0 -84.8 -30.3 102.9 -42.0 -200.5 71 72 A I H X S+ 0 0 43 -4,-1.5 4,-3.1 1,-0.2 5,-0.2 0.881 91.2 51.9 -45.7 -51.1 103.0 -39.6 -203.6 72 73 A P H > S+ 0 0 81 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.917 113.1 44.6 -52.4 -47.4 105.1 -36.8 -201.7 73 74 A L H 4 S+ 0 0 5 -3,-0.4 6,-0.2 -4,-0.4 -2,-0.2 0.895 113.7 49.5 -65.3 -44.1 107.7 -39.4 -200.6 74 75 A F H >< S+ 0 0 35 -4,-2.3 3,-1.4 1,-0.2 4,-0.2 0.887 107.6 55.5 -60.3 -40.3 107.9 -40.9 -204.1 75 76 A D H 3< S+ 0 0 99 -4,-3.1 3,-0.2 1,-0.3 -1,-0.2 0.804 117.9 35.6 -67.0 -24.7 108.2 -37.4 -205.7 76 77 A S T >< S+ 0 0 39 -4,-1.2 3,-3.0 -5,-0.2 -1,-0.3 0.126 76.5 122.2-114.6 26.3 111.3 -36.8 -203.5 77 78 A L G X + 0 0 0 -3,-1.4 3,-1.9 1,-0.3 5,-0.5 0.790 66.4 69.3 -60.5 -27.1 112.8 -40.3 -203.4 78 79 A E G 3 S+ 0 0 105 1,-0.3 -1,-0.3 -3,-0.2 3,-0.2 0.609 99.4 52.7 -66.7 -7.4 116.0 -38.9 -204.8 79 80 A E G < S+ 0 0 108 -3,-3.0 -35,-2.9 -6,-0.2 -1,-0.3 0.305 88.3 80.8-104.6 7.9 116.4 -37.2 -201.4 80 81 A T S < S- 0 0 0 -3,-1.9 -34,-2.1 -37,-0.2 -2,-0.1 0.548 104.0-107.2 -93.4 -8.1 116.0 -40.2 -199.2 81 82 A G + 0 0 23 -4,-0.3 -3,-0.1 -3,-0.2 -2,-0.1 0.827 65.3 148.8 84.4 38.5 119.4 -41.7 -199.3 82 83 A A > + 0 0 4 -5,-0.5 3,-2.6 2,-0.1 35,-0.2 0.680 26.7 120.5 -77.0 -21.1 118.5 -44.7 -201.5 83 84 A Q T 3 S- 0 0 155 1,-0.3 33,-0.3 33,-0.1 32,-0.2 -0.265 95.9 -7.7 -48.5 116.5 122.0 -44.8 -203.3 84 85 A G T 3 S+ 0 0 49 31,-3.3 2,-0.3 1,-0.2 -1,-0.3 0.575 100.4 149.9 68.0 14.0 123.3 -48.3 -202.4 85 86 A R < - 0 0 46 -3,-2.6 32,-2.4 26,-0.1 2,-0.5 -0.547 52.7-121.9 -86.5 132.2 120.5 -49.0 -200.1 86 87 A K E + d 0 117A 79 -36,-0.4 -34,-2.5 -2,-0.3 2,-0.3 -0.612 53.1 154.2 -71.0 121.2 119.2 -52.5 -199.4 87 88 A V E +cd 52 118A 0 30,-2.6 32,-3.7 -2,-0.5 33,-0.4 -0.956 27.4 176.9-144.0 168.2 115.5 -52.2 -200.4 88 89 A A E -c 53 0A 0 -36,-1.0 -34,-1.6 -2,-0.3 2,-0.3 -0.921 20.7-140.0-165.6 155.4 112.4 -54.2 -201.6 89 90 A C E +c 54 0A 0 31,-0.4 34,-1.8 -2,-0.3 2,-0.3 -0.903 17.9 174.4-129.6 153.3 108.8 -53.1 -202.1 90 91 A F E +ce 55 123A 1 -36,-2.1 -34,-1.5 -2,-0.3 2,-0.3 -0.936 5.9 162.2-146.9 173.3 105.3 -54.5 -201.5 91 92 A G E - e 0 124A 0 32,-1.8 34,-2.3 -2,-0.3 2,-0.2 -0.901 33.2-109.0 171.8 152.2 101.7 -53.3 -201.8 92 93 A C E + e 0 125A 7 -2,-0.3 -34,-0.9 32,-0.2 2,-0.3 -0.665 42.8 147.8 -92.7 156.8 98.1 -54.5 -202.0 93 94 A G E - e 0 126A 18 32,-3.0 34,-1.8 -2,-0.2 2,-0.3 -0.794 37.8-110.4-164.3-160.9 96.0 -54.2 -205.2 94 95 A D > - 0 0 64 -2,-0.3 3,-1.9 32,-0.2 5,-0.2 -0.914 6.1-145.9-159.4 120.4 93.3 -56.0 -207.0 95 96 A S T 3 S+ 0 0 68 -2,-0.3 5,-0.1 1,-0.3 -1,-0.1 0.566 91.0 80.9 -66.9 -10.3 93.3 -57.9 -210.2 96 97 A S T 3 S+ 0 0 104 2,-0.0 -1,-0.3 0, 0.0 4,-0.0 0.804 91.6 66.7 -63.0 -29.4 89.7 -56.7 -211.1 97 98 A Y S < S- 0 0 164 -3,-1.9 3,-0.2 1,-0.1 -4,-0.0 -0.060 92.3-113.7 -83.6-170.9 91.5 -53.6 -212.3 98 99 A E S S+ 0 0 161 1,-0.2 2,-0.4 -36,-0.2 -3,-0.1 0.695 100.5 50.1 -97.4 -25.1 93.9 -53.0 -215.1 99 100 A Y S > S- 0 0 102 -5,-0.2 3,-2.5 -37,-0.1 4,-0.3 -0.612 80.7-147.8-119.1 73.6 97.2 -52.2 -213.5 100 101 A F T 3 S- 0 0 81 -2,-0.4 -5,-0.1 1,-0.3 -7,-0.1 -0.119 77.7 -28.2 -51.3 111.9 97.8 -54.9 -210.9 101 102 A C T >> S+ 0 0 1 1,-0.1 3,-1.1 24,-0.1 4,-0.7 0.875 84.3 167.4 46.4 44.3 99.7 -53.3 -208.0 102 103 A G H <> + 0 0 13 -3,-2.5 4,-1.5 1,-0.2 3,-0.3 0.806 64.9 69.3 -59.4 -31.1 101.2 -50.8 -210.5 103 104 A A H 3> S+ 0 0 0 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.906 93.0 59.8 -56.5 -33.9 102.5 -48.6 -207.7 104 105 A V H <> S+ 0 0 1 -3,-1.1 4,-2.7 1,-0.2 -1,-0.2 0.898 104.6 45.6 -60.2 -44.9 105.1 -51.3 -206.8 105 106 A D H X S+ 0 0 85 -4,-0.7 4,-3.3 -3,-0.3 -1,-0.2 0.846 111.4 54.4 -64.5 -40.6 106.8 -51.3 -210.3 106 107 A A H X S+ 0 0 29 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.888 111.6 42.3 -60.5 -43.2 106.9 -47.5 -210.2 107 108 A I H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.980 115.5 50.2 -72.0 -50.4 108.7 -47.4 -206.9 108 109 A E H X S+ 0 0 26 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.938 110.4 50.1 -47.6 -58.4 111.0 -50.3 -207.8 109 110 A E H X S+ 0 0 111 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.896 114.1 44.4 -48.1 -47.5 112.0 -48.6 -211.1 110 111 A K H X S+ 0 0 53 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.950 111.2 52.2 -70.2 -41.5 112.7 -45.3 -209.4 111 112 A L H <>S+ 0 0 0 -4,-3.0 5,-2.6 1,-0.2 3,-0.3 0.938 111.3 49.9 -55.4 -44.1 114.7 -46.9 -206.5 112 113 A K H ><5S+ 0 0 102 -4,-2.8 3,-2.0 1,-0.2 -1,-0.2 0.932 109.3 48.4 -59.7 -49.8 116.8 -48.7 -209.2 113 114 A N H 3<5S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.726 109.3 58.3 -67.0 -17.8 117.5 -45.5 -211.2 114 115 A L T 3<5S- 0 0 43 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.282 121.8-106.7 -94.0 8.6 118.4 -44.0 -207.8 115 116 A G T < 5 + 0 0 27 -3,-2.0 -31,-3.3 1,-0.3 -3,-0.2 0.553 69.1 146.2 83.4 6.5 121.1 -46.6 -207.1 116 117 A A < - 0 0 10 -5,-2.6 2,-0.6 -33,-0.3 -1,-0.3 -0.474 50.3-126.3 -73.6 153.7 119.3 -48.6 -204.5 117 118 A E E -d 86 0A 93 -32,-2.4 -30,-2.6 -35,-0.2 2,-0.6 -0.928 19.8-149.2-102.6 109.9 119.9 -52.3 -204.4 118 119 A I E -d 87 0A 36 -2,-0.6 -30,-0.2 -32,-0.2 -32,-0.1 -0.712 9.8-166.3 -79.7 120.7 116.5 -54.1 -204.7 119 120 A V + 0 0 12 -32,-3.7 2,-0.3 -2,-0.6 -31,-0.2 0.501 62.9 8.4 -94.6 2.0 117.0 -57.3 -202.8 120 121 A Q S S- 0 0 61 -33,-0.4 -31,-0.4 3,-0.0 -1,-0.1 -0.958 88.4 -84.1-168.7 151.9 113.9 -59.2 -203.9 121 122 A D - 0 0 137 -2,-0.3 -2,-0.0 -33,-0.1 -33,-0.0 -0.428 64.1 -94.7 -59.9 143.8 111.0 -58.9 -206.4 122 123 A G - 0 0 9 1,-0.1 2,-0.6 -34,-0.1 -32,-0.3 -0.169 36.0-116.3 -60.6 158.4 108.3 -56.7 -204.9 123 124 A L E -e 90 0A 17 -34,-1.8 -32,-1.8 -3,-0.1 2,-0.6 -0.894 30.1-168.6 -98.1 121.8 105.4 -58.5 -203.1 124 125 A R E -e 91 0A 75 -2,-0.6 2,-0.5 -34,-0.2 -32,-0.2 -0.933 3.2-160.5-116.9 117.1 102.1 -57.9 -204.8 125 126 A I E -e 92 0A 7 -34,-2.3 -32,-3.0 -2,-0.6 2,-0.5 -0.804 4.5-155.3-104.3 129.6 98.9 -58.9 -202.9 126 127 A D E -e 93 0A 77 -2,-0.5 -32,-0.2 -34,-0.2 -34,-0.0 -0.834 61.9 -23.3 -99.9 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0.980 117.8 45.9 -67.5 -54.4 103.8 -61.9 -196.7 137 138 A V H X S+ 0 0 43 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.930 116.2 47.6 -53.4 -50.0 105.6 -63.8 -193.9 138 139 A G H X S+ 0 0 26 -4,-3.1 4,-2.4 -5,-0.3 -1,-0.2 0.877 109.3 52.8 -61.9 -39.4 107.4 -65.9 -196.6 139 140 A W H X S+ 0 0 19 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.907 111.0 46.7 -64.9 -39.8 108.3 -62.8 -198.6 140 141 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.886 110.3 52.7 -70.1 -36.1 109.8 -61.1 -195.5 141 142 A H H X S+ 0 0 97 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.947 111.6 46.5 -64.4 -44.8 111.8 -64.3 -194.6 142 143 A D H X S+ 0 0 72 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.764 111.3 51.8 -66.3 -30.8 113.2 -64.4 -198.1 143 144 A V H >< S+ 0 0 0 -4,-1.5 3,-0.9 2,-0.2 4,-0.4 0.912 110.9 45.8 -73.4 -42.9 114.1 -60.7 -198.1 144 145 A R H >< S+ 0 0 66 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.930 112.9 55.5 -59.5 -36.2 115.9 -61.2 -194.7 145 146 A G H 3< S+ 0 0 57 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.709 100.2 57.1 -66.3 -19.5 117.3 -64.2 -196.6 146 147 A A T << 0 0 40 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.407 360.0 360.0 -92.0 -3.1 118.6 -62.0 -199.5 147 148 A I < 0 0 80 -3,-1.3 -3,-0.1 -4,-0.4 -96,-0.0 0.011 360.0 360.0-103.5 360.0 120.7 -59.8 -197.2