==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 08-MAY-95 1DAG . COMPND 2 MOLECULE: DETHIOBIOTIN SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.HUANG,J.JIA,G.SCHNEIDER,Y.LINDQVIST . 224 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 23 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 1 0 0 0 2 1 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 1 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 PARALLEL BRIDGES PER LADDER . 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 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 1 A S 0 0 82 0, 0.0 2,-0.3 0, 0.0 110,-0.2 0.000 360.0 360.0 360.0 149.1 13.2 40.6 26.2 2 2 A K E -a 111 0A 89 108,-2.4 110,-2.5 2,-0.0 2,-0.4 -0.703 360.0-170.5 -80.2 139.8 13.8 39.8 22.6 3 3 A R E +a 112 0A 52 -2,-0.3 2,-0.3 108,-0.2 110,-0.2 -0.999 10.3 179.6-139.4 138.6 10.5 38.6 21.1 4 4 A Y E -a 113 0A 14 108,-1.8 110,-3.2 -2,-0.4 2,-0.4 -0.997 18.5-145.2-140.7 144.7 9.9 36.9 17.7 5 5 A F E -ab 114 141A 5 135,-3.0 137,-2.9 -2,-0.3 2,-0.6 -0.904 16.9-150.6-107.2 134.1 6.8 35.6 16.0 6 6 A V E +ab 115 142A 0 108,-3.0 110,-1.6 -2,-0.4 2,-0.2 -0.909 19.7 173.1-109.8 124.6 7.2 32.5 13.8 7 7 A T E - b 0 143A 2 135,-2.4 137,-2.9 -2,-0.6 2,-0.3 -0.719 17.0-140.9-120.8 169.6 4.9 32.0 10.8 8 8 A G E - b 0 144A 0 110,-0.4 112,-0.5 -2,-0.2 137,-0.2 -0.867 24.2-119.5-126.4 162.7 4.9 29.5 7.9 9 9 A T S S- 0 0 14 135,-1.4 2,-0.3 -2,-0.3 110,-0.1 0.561 99.2 -11.4 -75.8 -13.0 4.1 29.5 4.2 10 10 A D S > S- 0 0 71 108,-0.2 3,-0.5 109,-0.0 2,-0.2 -0.953 91.0 -75.7-166.0 170.9 1.3 27.0 4.8 11 11 A T T 3 S+ 0 0 75 -2,-0.3 108,-0.0 1,-0.2 106,-0.0 -0.528 115.2 25.9 -69.1 152.8 0.1 24.8 7.7 12 12 A E T 3 S+ 0 0 163 -2,-0.2 -1,-0.2 1,-0.1 -4,-0.0 0.862 77.6 122.3 55.3 45.6 2.3 21.7 8.1 13 13 A V S < S- 0 0 2 -3,-0.5 134,-0.1 131,-0.1 -1,-0.1 0.318 92.1 -91.3-108.2 0.9 5.6 23.0 6.6 14 14 A G S > S+ 0 0 21 132,-0.1 4,-2.5 3,-0.1 5,-0.3 0.708 71.2 152.2 100.0 28.2 7.6 22.3 9.9 15 15 A K H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 76.8 49.8 -58.3 -34.5 7.2 25.6 11.7 16 16 A T H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 108.2 51.7 -75.0 -35.1 7.5 23.7 15.1 17 17 A V H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.961 113.7 45.1 -63.4 -48.4 10.7 21.9 14.0 18 18 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.882 111.0 53.5 -63.1 -36.3 12.2 25.3 13.0 19 19 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.896 109.2 48.7 -64.4 -38.9 10.9 26.9 16.3 20 20 A C H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.942 111.2 50.6 -66.7 -41.6 12.7 24.1 18.4 21 21 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.962 111.6 48.2 -59.5 -46.2 15.9 24.7 16.3 22 22 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.891 112.1 48.3 -62.4 -39.3 15.6 28.4 17.1 23 23 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.913 110.1 52.1 -68.7 -40.3 15.1 27.8 20.8 24 24 A Q H X S+ 0 0 40 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.915 110.9 47.5 -64.2 -41.5 18.0 25.4 20.9 25 25 A A H X S+ 0 0 12 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.893 111.4 50.1 -65.1 -39.8 20.3 28.0 19.3 26 26 A A H <>S+ 0 0 0 -4,-2.0 5,-2.2 -5,-0.2 4,-0.4 0.901 110.6 49.9 -69.9 -34.2 19.2 30.8 21.7 27 27 A K H ><5S+ 0 0 124 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.943 108.6 52.3 -66.8 -44.7 19.8 28.5 24.7 28 28 A A H 3<5S+ 0 0 93 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.838 105.2 57.1 -61.1 -31.8 23.3 27.7 23.3 29 29 A A T 3<5S- 0 0 62 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.590 124.9-104.9 -75.8 -9.5 23.8 31.5 23.1 30 30 A G T < 5S+ 0 0 64 -3,-1.8 -3,-0.2 -4,-0.4 -2,-0.1 0.569 71.0 143.5 99.0 5.2 23.1 31.8 26.9 31 31 A Y < - 0 0 72 -5,-2.2 2,-0.8 1,-0.0 -1,-0.3 -0.491 56.3-121.9 -75.2 148.6 19.5 33.3 26.7 32 32 A R - 0 0 130 -2,-0.1 79,-1.8 31,-0.1 78,-1.7 -0.902 47.4-157.7 -85.5 105.8 16.8 32.3 29.2 33 33 A T E +c 111 0A 0 -2,-0.8 31,-1.6 76,-0.2 30,-0.4 -0.692 26.7 177.4-104.7 151.1 14.2 31.0 26.7 34 34 A A E -c 112 0A 0 77,-1.7 79,-2.3 -2,-0.3 2,-0.3 -0.988 16.1-150.1-146.3 130.9 10.5 30.4 26.6 35 35 A G E -c 113 0A 0 -2,-0.3 2,-0.4 23,-0.3 79,-0.2 -0.790 15.7-165.5 -95.1 149.8 8.3 29.1 23.7 36 36 A Y E +c 114 0A 0 77,-1.9 79,-2.9 -2,-0.3 36,-0.2 -0.984 19.0 176.3-142.6 120.4 4.7 30.4 23.5 37 37 A K - 0 0 10 34,-2.5 37,-0.2 -2,-0.4 79,-0.1 -0.858 10.0-176.0-120.7 90.4 1.9 28.9 21.4 38 38 A P S S+ 0 0 0 0, 0.0 36,-2.2 0, 0.0 2,-0.4 0.915 70.7 30.9 -60.0 -41.2 -1.2 31.1 22.5 39 39 A V E +f 74 0B 0 76,-0.3 2,-0.3 34,-0.1 36,-0.2 -0.949 67.1 170.8-124.5 133.8 -3.7 29.2 20.4 40 40 A A E -f 75 0B 1 34,-1.8 36,-2.3 -2,-0.4 2,-0.4 -0.999 9.6-173.6-142.0 135.1 -3.6 25.5 19.4 41 41 A S E +f 76 0B 30 -2,-0.3 36,-0.2 34,-0.2 37,-0.1 -0.975 62.9 55.6-126.1 142.7 -6.2 23.2 17.8 42 42 A G S S+ 0 0 23 34,-1.3 11,-0.4 -2,-0.4 2,-0.3 0.847 70.9 161.3 93.8 84.2 -5.7 19.4 17.4 43 43 A S - 0 0 6 34,-1.4 9,-0.3 9,-0.2 2,-0.3 -0.931 33.4-123.8-137.4 154.8 -5.0 18.1 20.9 44 44 A E B -G 51 0C 143 7,-2.9 7,-2.4 -2,-0.3 2,-0.2 -0.691 27.8-111.0-101.7 158.3 -5.1 14.7 22.8 45 45 A K + 0 0 152 -2,-0.3 5,-0.2 5,-0.2 -1,-0.0 -0.542 44.0 161.1 -82.1 137.5 -7.0 13.8 26.0 46 46 A T > - 0 0 54 3,-0.3 3,-1.4 -2,-0.2 0, 0.0 -0.936 55.0 -93.8-143.7 173.5 -4.8 13.3 29.1 47 47 A P T 3 S+ 0 0 134 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.703 125.7 49.5 -56.5 -21.6 -5.6 13.3 33.0 48 48 A E T 3 S- 0 0 153 1,-0.5 2,-0.3 0, 0.0 -3,-0.0 0.513 124.5 -91.2 -97.4 -8.8 -4.7 16.9 33.1 49 49 A G S < S- 0 0 33 -3,-1.4 -1,-0.5 2,-0.0 -3,-0.3 -0.778 72.7 -19.6 123.6-174.7 -6.8 18.1 30.2 50 50 A L - 0 0 50 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.517 57.1-167.0 -70.3 138.2 -6.1 18.4 26.5 51 51 A R B -G 44 0C 59 -7,-2.4 -7,-2.9 -2,-0.2 2,-0.4 -0.991 10.3-147.8-130.8 130.5 -2.5 18.7 25.4 52 52 A N > - 0 0 6 -2,-0.4 4,-1.8 -9,-0.3 -9,-0.2 -0.834 13.5-138.7 -99.7 137.1 -1.3 19.7 21.9 53 53 A S H > S+ 0 0 77 -11,-0.4 4,-2.0 -2,-0.4 5,-0.1 0.884 100.5 52.9 -67.3 -38.8 2.0 18.1 20.7 54 54 A D H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.933 110.2 47.8 -62.2 -45.9 3.5 21.3 19.1 55 55 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.876 109.7 54.4 -60.9 -38.9 3.0 23.2 22.4 56 56 A L H X S+ 0 0 45 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.896 107.1 51.5 -61.9 -36.7 4.6 20.2 24.3 57 57 A A H X S+ 0 0 1 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.926 111.6 46.1 -66.0 -40.3 7.6 20.5 21.9 58 58 A L H X S+ 0 0 0 -4,-1.8 4,-0.6 2,-0.2 -23,-0.3 0.898 110.8 53.7 -69.6 -40.1 8.0 24.2 22.7 59 59 A Q H >< S+ 0 0 49 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.946 112.6 42.5 -62.4 -50.2 7.6 23.5 26.4 60 60 A R H 3< S+ 0 0 141 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.659 112.1 53.8 -79.2 -13.3 10.4 20.9 26.5 61 61 A N H 3< S+ 0 0 25 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.528 88.0 98.8 -91.3 -4.5 12.8 22.9 24.2 62 62 A S S << S- 0 0 11 -3,-1.0 -28,-0.2 -4,-0.6 4,-0.1 -0.511 73.0-138.8 -73.9 147.7 12.5 26.1 26.5 63 63 A S S S+ 0 0 46 -30,-0.4 2,-0.2 -2,-0.2 -29,-0.1 0.840 86.2 70.2 -83.8 -27.7 15.4 26.5 29.0 64 64 A L S S- 0 0 24 -31,-1.6 2,-0.6 1,-0.1 -2,-0.1 -0.572 93.7-114.3 -80.3 148.1 13.0 27.5 31.8 65 65 A Q - 0 0 198 -2,-0.2 2,-0.4 -31,-0.0 -2,-0.1 -0.723 47.4-178.3 -78.7 119.1 10.7 24.9 33.4 66 66 A L - 0 0 16 -2,-0.6 2,-0.2 -7,-0.2 -4,-0.1 -0.964 28.5-116.1-121.3 148.0 7.3 26.2 32.4 67 67 A D >> - 0 0 122 -2,-0.4 4,-1.3 1,-0.1 3,-0.9 -0.538 31.1-117.4 -76.7 148.8 3.7 24.9 33.2 68 68 A Y H >> S+ 0 0 13 1,-0.2 4,-3.0 2,-0.2 3,-0.5 0.896 112.3 55.1 -56.4 -45.7 1.8 23.8 30.1 69 69 A A H 34 S+ 0 0 68 1,-0.2 -1,-0.2 2,-0.2 5,-0.0 0.780 104.2 56.0 -63.4 -23.2 -1.0 26.5 30.5 70 70 A T H <4 S+ 0 0 38 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.900 113.0 40.9 -73.4 -38.2 1.7 29.2 30.5 71 71 A V H << S+ 0 0 0 -4,-1.3 -34,-2.5 -3,-0.5 -2,-0.2 0.889 133.4 20.5 -73.8 -41.8 3.0 27.9 27.1 72 72 A N < + 0 0 1 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 -0.729 59.7 171.1-139.9 86.4 -0.5 27.3 25.7 73 73 A P S S+ 0 0 47 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.876 74.8 51.4 -57.4 -44.3 -3.5 29.1 27.2 74 74 A Y E +f 39 0B 19 -36,-2.2 -34,-1.8 -37,-0.2 2,-0.5 -0.870 65.7 172.8-109.0 112.9 -6.0 28.0 24.5 75 75 A T E -f 40 0B 28 -2,-0.6 2,-0.4 -36,-0.2 -34,-0.2 -0.960 5.8-175.9-123.1 121.8 -6.2 24.4 23.7 76 76 A F E -f 41 0B 0 -36,-2.3 -34,-1.3 -2,-0.5 -33,-0.1 -0.915 21.4-145.1-119.4 142.3 -8.9 22.9 21.3 77 77 A A S S+ 0 0 31 -2,-0.4 -34,-1.4 -35,-0.2 -1,-0.1 0.926 76.0 78.9 -69.8 -44.9 -9.3 19.2 20.6 78 78 A E S S- 0 0 92 -36,-0.2 2,-2.1 -37,-0.1 -36,-0.2 -0.501 77.7-131.4 -79.4 128.1 -10.4 19.4 16.9 79 79 A P S S+ 0 0 112 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.382 70.3 100.2 -71.8 64.1 -7.8 20.0 14.2 80 80 A T S S- 0 0 40 -2,-2.1 -39,-0.0 1,-0.1 0, 0.0 -0.680 85.6 -50.3-132.1-175.4 -9.5 22.8 12.3 81 81 A S >> - 0 0 34 -2,-0.2 4,-1.5 1,-0.1 3,-1.0 -0.415 52.5-126.5 -59.6 131.6 -9.4 26.6 12.1 82 82 A P H 3> S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.839 106.2 58.1 -56.3 -34.5 -9.4 28.1 15.7 83 83 A H H 3> S+ 0 0 48 40,-1.4 4,-1.8 2,-0.2 5,-0.2 0.881 105.1 51.0 -67.1 -31.4 -12.4 30.5 14.9 84 84 A I H <> S+ 0 0 80 -3,-1.0 4,-2.2 39,-0.2 5,-0.2 0.987 116.5 37.5 -68.6 -58.6 -14.7 27.5 14.0 85 85 A I H X S+ 0 0 8 -4,-1.5 4,-2.1 1,-0.2 6,-0.3 0.837 112.8 58.4 -68.5 -28.4 -14.0 25.4 17.1 86 86 A S H X>S+ 0 0 9 -4,-2.3 5,-1.9 -5,-0.3 4,-1.2 0.967 111.5 41.7 -58.7 -50.1 -13.9 28.6 19.4 87 87 A A H <5S+ 0 0 78 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.917 113.9 53.8 -62.7 -43.1 -17.5 29.5 18.3 88 88 A Q H <5S+ 0 0 152 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.878 114.6 40.0 -61.7 -41.7 -18.6 25.9 18.5 89 89 A E H <5S- 0 0 89 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.599 106.0-121.0 -87.3 -11.0 -17.4 25.5 22.1 90 90 A G T <5S+ 0 0 62 -4,-1.2 -3,-0.2 -3,-0.5 -4,-0.1 0.720 73.7 125.6 72.7 28.6 -18.5 28.9 23.4 91 91 A R < - 0 0 144 -5,-1.9 -1,-0.2 -6,-0.3 -2,-0.1 -0.799 49.9-152.1-120.0 89.4 -14.8 29.8 24.4 92 92 A P - 0 0 93 0, 0.0 2,-0.9 0, 0.0 33,-0.1 -0.296 15.7-126.8 -59.8 140.5 -13.9 33.2 22.8 93 93 A I - 0 0 13 31,-0.4 2,-0.5 -10,-0.0 3,-0.1 -0.821 31.2-153.4 -89.9 108.1 -10.2 33.7 22.0 94 94 A E >> - 0 0 90 -2,-0.9 4,-2.1 1,-0.1 3,-0.9 -0.775 17.8-149.3 -91.0 124.5 -9.5 37.0 23.7 95 95 A S H 3> S+ 0 0 16 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.877 101.1 56.2 -55.3 -38.9 -6.6 39.3 22.5 96 96 A L H 3> S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.832 107.4 47.9 -67.2 -30.2 -6.1 40.5 26.1 97 97 A V H <> S+ 0 0 64 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.905 111.7 50.0 -75.6 -42.2 -5.6 36.9 27.4 98 98 A M H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.917 115.1 44.5 -58.1 -44.5 -3.1 36.2 24.5 99 99 A S H X S+ 0 0 16 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.908 110.3 52.9 -70.5 -40.0 -1.2 39.5 25.4 100 100 A A H X S+ 0 0 58 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.915 107.1 54.6 -62.2 -36.8 -1.2 38.9 29.2 101 101 A G H X S+ 0 0 14 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.920 106.5 50.1 -63.7 -43.0 0.3 35.4 28.5 102 102 A L H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 3,-0.2 0.943 111.3 49.1 -59.7 -49.5 3.2 37.0 26.5 103 103 A R H < S+ 0 0 86 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.848 106.5 56.2 -57.7 -38.8 3.9 39.5 29.4 104 104 A A H >< S+ 0 0 30 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.879 108.3 48.1 -63.9 -38.1 3.8 36.7 32.0 105 105 A L H >X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 3,-2.0 0.926 104.0 61.0 -69.5 -41.4 6.6 34.9 30.0 106 106 A E T 3< S+ 0 0 49 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.534 91.3 69.0 -60.4 -11.3 8.6 38.2 29.8 107 107 A Q T <4 S+ 0 0 167 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.695 118.8 18.0 -77.9 -23.0 8.8 38.3 33.6 108 108 A Q T <4 S+ 0 0 68 -3,-2.0 2,-0.4 -4,-0.3 -2,-0.2 0.631 118.1 61.1-124.8 -23.5 11.1 35.3 33.5 109 109 A A < - 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