==== 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 1DAI . COMPND 2 MOLECULE: DETHIOBIOTIN SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.HUANG,J.JIA,G.SCHNEIDER,Y.LINDQVIST . 219 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.7 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 18 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 29.7 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 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 79 0, 0.0 2,-0.3 0, 0.0 110,-0.2 0.000 360.0 360.0 360.0 146.0 13.2 40.5 26.1 2 2 A K E -a 111 0A 95 108,-2.4 110,-2.2 2,-0.0 2,-0.4 -0.602 360.0-168.6 -74.5 145.5 13.9 39.8 22.4 3 3 A R E -a 112 0A 55 -2,-0.3 2,-0.3 108,-0.2 110,-0.2 -0.993 10.1-179.1-140.5 140.9 10.5 38.5 21.0 4 4 A Y E -a 113 0A 12 108,-2.0 110,-3.1 -2,-0.4 2,-0.4 -0.989 18.9-143.9-138.0 148.7 9.9 36.9 17.7 5 5 A F E -ab 114 141A 5 135,-2.9 137,-3.0 -2,-0.3 2,-0.5 -0.938 16.4-152.8-109.8 133.9 6.8 35.5 15.9 6 6 A V E +ab 115 142A 0 108,-2.7 110,-1.4 -2,-0.4 2,-0.3 -0.925 19.6 169.6-107.3 126.8 7.2 32.4 13.8 7 7 A T E - b 0 143A 3 135,-2.2 137,-2.7 -2,-0.5 2,-0.3 -0.839 19.7-140.7-128.0 165.0 4.8 31.8 10.8 8 8 A G E - b 0 144A 2 110,-0.5 112,-0.4 -2,-0.3 137,-0.2 -0.824 19.4-123.0-125.4 161.6 5.0 29.2 7.9 9 9 A T S S- 0 0 16 135,-1.7 2,-0.3 -2,-0.3 136,-0.1 0.759 92.4 -6.5 -73.3 -30.2 4.3 29.4 4.2 10 10 A D S S- 0 0 63 134,-0.3 3,-0.5 108,-0.1 -1,-0.1 -0.927 88.6 -78.9-151.3 171.7 1.8 26.5 4.3 11 11 A T S S+ 0 0 97 -2,-0.3 -2,-0.0 1,-0.2 108,-0.0 -0.448 115.3 28.6 -68.5 155.4 0.5 23.9 6.8 12 12 A E S S+ 0 0 184 1,-0.1 -1,-0.2 -2,-0.1 165,-0.0 0.930 76.5 125.4 50.6 48.4 2.9 21.0 7.2 13 13 A V S S- 0 0 2 -3,-0.5 -1,-0.1 133,-0.0 134,-0.1 0.307 85.7-107.3-105.3 4.7 6.0 23.0 6.4 14 14 A G >> + 0 0 26 3,-0.1 4,-1.8 132,-0.1 3,-0.6 0.826 59.8 161.6 73.6 36.3 7.6 21.8 9.7 15 15 A K H 3> S+ 0 0 26 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.909 73.7 51.1 -56.5 -45.3 7.2 25.2 11.6 16 16 A T H 3> S+ 0 0 16 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.852 104.5 58.0 -67.3 -26.8 7.6 23.7 15.0 17 17 A V H <> S+ 0 0 64 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.954 110.9 42.7 -59.6 -50.0 10.8 21.9 13.9 18 18 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.874 112.0 54.7 -65.6 -39.5 12.3 25.3 13.0 19 19 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.913 110.0 46.2 -58.8 -44.5 10.9 26.8 16.3 20 20 A C H X S+ 0 0 14 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.903 111.5 51.5 -66.4 -36.8 12.7 24.1 18.4 21 21 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.924 112.0 47.9 -65.1 -39.6 15.9 24.7 16.4 22 22 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.919 112.1 48.6 -66.1 -42.9 15.6 28.4 17.1 23 23 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.872 110.9 50.8 -63.2 -40.4 15.0 27.8 20.8 24 24 A Q H X S+ 0 0 42 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.918 110.8 48.3 -65.4 -42.7 18.0 25.4 21.0 25 25 A A H X S+ 0 0 11 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.918 110.6 51.0 -65.6 -38.7 20.3 27.9 19.4 26 26 A A H <>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 4,-0.3 0.903 109.7 50.2 -67.4 -37.1 19.1 30.7 21.7 27 27 A K H ><5S+ 0 0 124 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.939 108.6 52.5 -66.7 -44.5 19.7 28.5 24.7 28 28 A A H 3<5S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.863 104.7 56.1 -60.2 -31.5 23.2 27.8 23.4 29 29 A A T 3<5S- 0 0 67 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.547 126.8-102.0 -79.6 -3.2 23.8 31.5 23.1 30 30 A G T < 5S+ 0 0 64 -3,-1.9 -3,-0.2 -4,-0.3 2,-0.2 0.569 71.6 143.4 101.6 6.1 23.0 31.9 26.9 31 31 A Y < - 0 0 65 -5,-2.2 2,-0.8 78,-0.0 -1,-0.3 -0.529 55.2-125.0 -74.7 148.2 19.4 33.2 26.8 32 32 A R - 0 0 131 -2,-0.2 78,-2.3 31,-0.1 79,-1.4 -0.894 48.8-158.4 -88.7 111.3 16.7 32.2 29.4 33 33 A T E -c 111 0A 0 -2,-0.8 31,-1.6 76,-0.2 2,-0.3 -0.656 26.8-179.1-109.0 154.6 14.2 31.0 26.8 34 34 A A E -c 112 0A 0 77,-1.7 79,-2.4 -2,-0.2 2,-0.3 -0.992 14.8-149.4-148.2 134.3 10.4 30.4 26.5 35 35 A G E -c 113 0A 0 -2,-0.3 2,-0.4 23,-0.2 79,-0.2 -0.821 16.0-166.6 -97.7 149.4 8.2 29.2 23.7 36 36 A Y E +c 114 0A 0 77,-2.3 79,-2.9 -2,-0.3 36,-0.2 -0.987 17.9 175.4-138.3 127.0 4.7 30.5 23.6 37 37 A K - 0 0 8 34,-2.6 37,-0.3 -2,-0.4 79,-0.1 -0.847 9.1-174.9-129.2 89.0 1.8 29.1 21.4 38 38 A P S S+ 0 0 0 0, 0.0 36,-2.0 0, 0.0 2,-0.4 0.876 70.8 29.4 -56.6 -37.9 -1.2 31.1 22.5 39 39 A V E +g 74 0B 0 76,-0.4 2,-0.3 34,-0.1 36,-0.2 -0.982 65.8 169.4-129.1 133.5 -3.7 29.1 20.4 40 40 A A E -g 75 0B 0 34,-2.0 36,-2.4 -2,-0.4 2,-0.4 -0.999 10.0-172.4-140.2 139.3 -3.6 25.5 19.4 41 41 A S E +g 76 0B 28 -2,-0.3 36,-0.2 34,-0.2 37,-0.1 -0.978 63.7 57.8-127.2 142.5 -6.2 23.1 17.7 42 42 A G S S+ 0 0 19 34,-1.4 11,-0.4 -2,-0.4 2,-0.3 0.834 72.8 164.2 100.3 73.4 -5.6 19.4 17.3 43 43 A S - 0 0 14 34,-1.2 9,-0.3 33,-0.3 2,-0.3 -0.897 32.9-127.2-127.0 151.4 -5.0 18.2 20.8 44 44 A E E -H 51 0C 120 7,-3.2 7,-2.4 -2,-0.3 2,-0.3 -0.662 23.9-119.7 -92.5 150.2 -4.9 14.9 22.8 45 45 A K E +H 50 0C 187 -2,-0.3 5,-0.2 5,-0.2 -1,-0.0 -0.645 38.8 164.5 -84.1 140.7 -6.8 14.1 26.0 46 46 A T E > -H 49 0C 57 3,-0.7 3,-1.4 -2,-0.3 0, 0.0 -0.887 56.0 -87.7-139.1 175.3 -4.6 13.3 29.1 47 47 A P T 3 S+ 0 0 140 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.719 127.9 47.8 -61.9 -15.3 -5.5 13.1 32.9 48 48 A E T 3 S- 0 0 157 1,-0.4 2,-0.3 0, 0.0 -3,-0.0 0.548 123.1 -86.5-106.2 -0.5 -4.7 16.8 33.2 49 49 A G E < S-H 46 0C 32 -3,-1.4 -3,-0.7 2,-0.0 -1,-0.4 -0.828 72.6 -20.5 125.5-171.5 -6.6 18.1 30.2 50 50 A L E -H 45 0C 57 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.554 55.1-169.0 -76.9 140.0 -6.0 18.6 26.4 51 51 A R E -H 44 0C 50 -7,-2.4 -7,-3.2 -2,-0.2 2,-0.5 -0.996 10.7-150.8-133.7 130.1 -2.4 18.7 25.3 52 52 A N > - 0 0 5 -2,-0.4 4,-2.1 -9,-0.3 -9,-0.2 -0.889 15.3-137.3-101.7 133.1 -1.3 19.8 21.9 53 53 A S H > S+ 0 0 64 -2,-0.5 4,-1.8 -11,-0.4 -1,-0.1 0.830 101.2 52.0 -63.5 -38.1 2.0 18.1 20.6 54 54 A D H > S+ 0 0 60 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.954 110.4 49.8 -61.7 -43.5 3.6 21.3 19.1 55 55 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.929 108.8 52.5 -60.6 -45.2 3.0 23.2 22.4 56 56 A L H X S+ 0 0 42 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.853 106.8 53.7 -58.3 -36.0 4.6 20.2 24.3 57 57 A A H X S+ 0 0 17 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.885 109.7 47.0 -65.7 -36.7 7.6 20.6 22.0 58 58 A L H X S+ 0 0 0 -4,-1.8 4,-0.9 2,-0.2 3,-0.4 0.931 110.9 52.5 -71.6 -42.5 7.9 24.3 22.8 59 59 A Q H >< S+ 0 0 51 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.957 113.1 43.4 -58.1 -52.2 7.6 23.6 26.5 60 60 A R H 3< S+ 0 0 172 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.657 112.8 52.4 -75.7 -9.9 10.4 20.9 26.5 61 61 A N H 3< S+ 0 0 36 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.554 87.7 97.0 -97.5 -3.0 12.6 23.1 24.3 62 62 A S S << S- 0 0 12 -3,-1.1 -28,-0.2 -4,-0.9 4,-0.1 -0.548 72.1-139.1 -74.1 146.8 12.4 26.2 26.6 63 63 A S S S+ 0 0 45 -30,-0.3 2,-0.3 -2,-0.2 -29,-0.1 0.744 86.8 73.2 -84.0 -21.1 15.3 26.6 29.1 64 64 A L S S- 0 0 37 -31,-1.6 2,-0.5 -5,-0.0 -2,-0.1 -0.661 93.9-117.5 -80.3 145.2 13.0 27.7 31.9 65 65 A Q - 0 0 197 -2,-0.3 2,-0.3 -31,-0.0 -2,-0.1 -0.789 47.8-178.5 -74.3 126.8 10.8 24.9 33.4 66 66 A L - 0 0 16 -2,-0.5 2,-0.1 -7,-0.2 -4,-0.1 -0.976 28.4-113.8-131.2 147.7 7.3 26.2 32.5 67 67 A D >> - 0 0 121 -2,-0.3 4,-1.3 1,-0.1 3,-0.7 -0.454 31.5-117.0 -74.2 153.1 3.7 24.9 33.2 68 68 A Y H >> S+ 0 0 15 1,-0.3 4,-2.9 2,-0.2 3,-0.7 0.907 111.7 53.3 -59.9 -49.1 1.8 23.8 30.2 69 69 A A H 34 S+ 0 0 67 1,-0.3 -1,-0.3 2,-0.2 5,-0.0 0.768 104.3 58.0 -62.3 -23.6 -1.0 26.5 30.4 70 70 A T H <4 S+ 0 0 41 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.885 112.4 40.8 -68.4 -38.1 1.6 29.2 30.5 71 71 A V H << S+ 0 0 0 -4,-1.3 -34,-2.6 -3,-0.7 -2,-0.2 0.867 132.9 21.1 -75.6 -40.5 2.9 27.9 27.1 72 72 A N < + 0 0 1 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.713 59.6 172.0-142.9 90.2 -0.5 27.4 25.7 73 73 A P S S+ 0 0 46 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.886 75.3 48.9 -58.0 -43.2 -3.5 29.2 27.2 74 74 A Y E +g 39 0B 21 -36,-2.0 -34,-2.0 -37,-0.3 2,-0.5 -0.864 66.4 173.6-113.1 111.1 -6.1 28.1 24.5 75 75 A T E -g 40 0B 30 -2,-0.6 2,-0.4 -36,-0.2 -34,-0.2 -0.959 5.6-175.1-121.3 121.9 -6.1 24.3 23.6 76 76 A F E -g 41 0B 0 -36,-2.4 -34,-1.4 -2,-0.5 -33,-0.3 -0.914 20.2-146.2-118.6 144.4 -8.8 22.9 21.3 77 77 A A S S+ 0 0 47 -2,-0.4 -34,-1.2 -35,-0.2 -1,-0.1 0.931 76.8 76.3 -73.6 -45.1 -9.2 19.2 20.5 78 78 A E S S- 0 0 86 -36,-0.2 2,-2.0 -37,-0.1 -36,-0.2 -0.522 78.9-132.2 -75.2 128.2 -10.4 19.4 16.9 79 79 A P + 0 0 110 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.406 69.3 103.5 -75.4 67.4 -7.7 20.1 14.2 80 80 A T S S- 0 0 40 -2,-2.0 -4,-0.1 1,-0.1 -39,-0.0 -0.701 84.9 -51.8-131.1-175.6 -9.6 22.9 12.3 81 81 A S >> - 0 0 35 -2,-0.2 4,-1.5 1,-0.1 3,-1.2 -0.428 52.4-125.5 -61.0 133.4 -9.4 26.7 12.2 82 82 A P H 3> S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.828 106.5 59.3 -51.8 -38.5 -9.5 28.2 15.7 83 83 A H H 3> S+ 0 0 48 40,-1.3 4,-1.8 2,-0.2 5,-0.2 0.861 105.5 49.8 -65.7 -28.9 -12.5 30.5 15.0 84 84 A I H <> S+ 0 0 80 -3,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.980 117.0 37.8 -71.3 -57.4 -14.7 27.5 14.1 85 85 A I H X S+ 0 0 8 -4,-1.5 4,-2.7 2,-0.2 6,-0.2 0.865 113.3 57.0 -69.3 -30.9 -14.0 25.4 17.2 86 86 A S H X>S+ 0 0 11 -4,-2.7 5,-1.9 -5,-0.3 4,-1.4 0.972 112.1 42.8 -57.8 -48.4 -13.9 28.5 19.5 87 87 A A H ><5S+ 0 0 79 -4,-1.8 3,-0.7 -5,-0.3 -2,-0.2 0.951 114.0 52.8 -63.8 -45.0 -17.5 29.3 18.3 88 88 A Q H 3<5S+ 0 0 144 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.896 114.9 39.1 -59.5 -45.9 -18.5 25.6 18.6 89 89 A E H 3<5S- 0 0 86 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.568 106.5-121.4 -83.3 -12.3 -17.3 25.3 22.1 90 90 A G T <<5S+ 0 0 64 -4,-1.4 -3,-0.2 -3,-0.7 -4,-0.1 0.837 71.7 126.4 75.4 32.6 -18.4 28.7 23.4 91 91 A R < - 0 0 150 -5,-1.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.826 50.8-147.6-127.7 92.8 -14.9 29.8 24.4 92 92 A P - 0 0 100 0, 0.0 2,-0.9 0, 0.0 33,-0.1 -0.272 14.0-127.4 -52.6 138.0 -13.9 33.2 22.8 93 93 A I - 0 0 11 31,-0.4 2,-0.5 -10,-0.0 31,-0.1 -0.813 31.3-155.5 -94.7 109.4 -10.3 33.7 22.0 94 94 A E > - 0 0 91 -2,-0.9 4,-2.2 1,-0.1 3,-0.4 -0.745 19.2-149.3 -93.5 126.3 -9.5 37.0 23.7 95 95 A S H > S+ 0 0 15 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.882 99.5 57.0 -54.7 -44.6 -6.6 39.3 22.6 96 96 A L H > S+ 0 0 129 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.891 107.7 47.1 -60.1 -37.7 -6.1 40.5 26.1 97 97 A V H > S+ 0 0 65 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.928 111.7 50.9 -69.2 -43.5 -5.5 36.9 27.4 98 98 A M H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.955 115.7 42.2 -57.9 -46.7 -3.1 36.2 24.5 99 99 A S H X S+ 0 0 14 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.910 111.2 54.9 -67.5 -38.2 -1.2 39.5 25.4 100 100 A A H X S+ 0 0 58 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.925 106.4 53.0 -61.1 -39.7 -1.3 38.9 29.1 101 101 A G H X S+ 0 0 15 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.868 106.9 50.6 -63.8 -38.0 0.3 35.5 28.6 102 102 A L H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.961 110.4 50.2 -66.0 -47.2 3.2 37.0 26.6 103 103 A R H X S+ 0 0 90 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.855 106.4 56.1 -55.9 -36.5 3.8 39.5 29.4 104 104 A A H >< S+ 0 0 32 -4,-1.9 3,-0.8 -5,-0.2 4,-0.4 0.929 108.5 46.8 -66.3 -42.6 3.9 36.8 32.0 105 105 A L H >X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 3,-2.1 0.906 104.4 61.2 -64.6 -42.2 6.6 35.0 30.0 106 106 A E H 3< S+ 0 0 49 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.678 92.9 67.8 -59.9 -16.4 8.6 38.2 29.7 107 107 A Q T << S+ 0 0 159 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.773 119.0 18.3 -67.3 -29.1 8.8 38.3 33.5 108 108 A Q T <4 S+ 0 0 77 -3,-2.1 2,-0.4 -4,-0.4 -2,-0.2 0.594 118.4 59.1-122.6 -16.6 11.0 35.3 33.4 109 109 A A < - 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