==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOTIN BIOSYNTHESIS 29-NOV-94 1DBS . COMPND 2 MOLECULE: DETHIOBIOTIN SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.SAWYER,D.ALEXEEV . 224 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10698.0 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 . 34 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.7 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 0.4 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 . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 29.5 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 . 1 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 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 92 0, 0.0 2,-0.2 0, 0.0 110,-0.2 0.000 360.0 360.0 360.0 146.0 13.3 41.5 4.0 2 2 A K E +a 111 0A 83 108,-2.3 110,-2.6 2,-0.0 2,-0.3 -0.563 360.0 179.2 -72.6 139.9 13.3 39.9 7.5 3 3 A R E +a 112 0A 54 -2,-0.2 2,-0.3 108,-0.2 110,-0.2 -0.993 2.3 179.8-144.9 133.8 16.8 38.7 8.7 4 4 A Y E -a 113 0A 12 108,-1.8 110,-3.4 -2,-0.3 2,-0.5 -0.989 21.4-141.4-137.9 148.4 17.7 37.1 12.0 5 5 A F E -ab 114 141A 3 135,-2.7 137,-3.1 -2,-0.3 2,-0.5 -0.924 19.0-153.2-108.5 128.7 20.9 35.8 13.7 6 6 A V E +ab 115 142A 0 108,-3.4 110,-2.1 -2,-0.5 2,-0.3 -0.918 20.9 166.1-107.1 127.5 20.5 32.6 15.7 7 7 A T E - b 0 143A 1 135,-2.2 137,-2.6 -2,-0.5 2,-0.3 -0.891 24.1-134.1-132.9 159.7 22.9 31.9 18.6 8 8 A G E - b 0 144A 5 110,-0.5 112,-0.5 -2,-0.3 137,-0.2 -0.823 13.1-132.9-114.7 160.1 22.8 29.4 21.5 9 9 A T S S- 0 0 13 135,-1.8 2,-0.3 -2,-0.3 136,-0.1 0.624 87.3 -3.7 -83.2 -15.3 23.5 29.9 25.2 10 10 A D S > S- 0 0 58 134,-0.3 3,-0.5 108,-0.1 -1,-0.1 -0.946 91.4 -71.1-164.8 170.8 25.7 26.8 25.5 11 11 A T T 3 S+ 0 0 97 -2,-0.3 135,-0.1 1,-0.2 -2,-0.1 -0.364 112.0 20.7 -73.2 153.6 27.0 23.9 23.4 12 12 A E T 3 S+ 0 0 171 1,-0.1 -1,-0.2 -4,-0.0 165,-0.0 0.875 76.5 130.4 56.3 44.2 24.4 21.2 22.5 13 13 A V S < S- 0 0 2 -3,-0.5 134,-0.1 133,-0.1 -1,-0.1 0.416 81.3-105.2-101.1 -1.4 21.3 23.3 23.0 14 14 A G > + 0 0 22 3,-0.1 4,-2.4 132,-0.1 5,-0.2 0.847 57.3 164.5 82.2 36.2 19.9 22.2 19.6 15 15 A K H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.911 77.2 46.7 -53.2 -44.3 20.6 25.5 17.8 16 16 A T H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.868 108.4 55.9 -68.5 -36.7 20.1 23.9 14.3 17 17 A V H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.955 110.9 44.3 -57.5 -50.7 16.9 22.1 15.5 18 18 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.889 111.5 54.7 -61.3 -42.5 15.4 25.5 16.5 19 19 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.885 108.1 48.1 -58.5 -42.8 16.7 27.1 13.2 20 20 A C H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.888 110.9 51.1 -67.6 -36.4 14.9 24.4 11.1 21 21 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.905 110.3 49.9 -65.0 -41.7 11.7 25.0 13.2 22 22 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.914 111.0 49.0 -61.6 -46.4 11.9 28.7 12.5 23 23 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.884 111.0 49.5 -61.8 -42.3 12.4 28.1 8.8 24 24 A Q H X S+ 0 0 42 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.908 111.6 49.1 -64.7 -42.4 9.4 25.8 8.6 25 25 A A H X S+ 0 0 11 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.899 110.6 50.3 -63.7 -41.5 7.2 28.3 10.5 26 26 A A H <>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 4,-0.2 0.896 110.4 50.3 -64.2 -41.5 8.3 31.2 8.1 27 27 A K H ><5S+ 0 0 116 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.896 107.5 53.1 -63.7 -40.8 7.5 29.1 5.1 28 28 A A H 3<5S+ 0 0 89 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.790 104.7 57.0 -63.6 -29.8 4.1 28.3 6.5 29 29 A A T 3<5S- 0 0 64 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.506 126.5-103.1 -78.1 -8.3 3.6 32.0 6.9 30 30 A G T < 5S+ 0 0 60 -3,-1.5 -3,-0.2 1,-0.3 2,-0.1 0.576 72.2 142.8 99.5 8.2 4.3 32.4 3.1 31 31 A Y < - 0 0 74 -5,-2.2 2,-0.9 1,-0.0 -1,-0.3 -0.489 56.1-123.3 -80.9 155.8 7.8 33.7 3.2 32 32 A R - 0 0 116 -2,-0.1 78,-2.0 31,-0.1 79,-1.6 -0.879 46.9-156.4 -96.2 101.9 10.5 32.8 0.6 33 33 A T E -c 111 0A 0 -2,-0.9 31,-1.6 76,-0.2 2,-0.3 -0.520 25.1-178.6 -93.3 156.6 13.1 31.4 3.1 34 34 A A E -c 112 0A 0 77,-1.8 79,-2.5 -2,-0.2 2,-0.4 -0.988 14.0-150.6-150.3 133.3 16.8 30.9 3.1 35 35 A G E -c 113 0A 0 -2,-0.3 2,-0.4 23,-0.2 79,-0.2 -0.825 15.8-169.8-102.9 145.4 19.1 29.4 5.8 36 36 A Y E +c 114 0A 0 77,-2.1 79,-3.0 -2,-0.4 36,-0.2 -0.973 18.5 173.8-142.8 123.1 22.7 30.7 6.0 37 37 A K - 0 0 10 34,-2.9 37,-0.3 -2,-0.4 79,-0.1 -0.808 9.8-175.3-128.0 87.2 25.5 29.2 8.1 38 38 A P S S+ 0 0 0 0, 0.0 36,-2.1 0, 0.0 2,-0.4 0.850 71.3 31.5 -52.2 -40.6 28.6 31.3 7.0 39 39 A V E +f 74 0B 0 76,-0.4 2,-0.3 34,-0.1 36,-0.2 -0.977 66.6 169.0-126.0 133.8 31.1 29.3 9.0 40 40 A A E -f 75 0B 0 34,-2.1 36,-2.3 -2,-0.4 2,-0.3 -0.994 10.6-168.2-146.3 132.7 30.9 25.6 9.9 41 41 A S E +f 76 0B 27 -2,-0.3 36,-0.2 34,-0.2 37,-0.1 -0.912 62.0 51.4-117.6 151.3 33.5 23.2 11.5 42 42 A G S S+ 0 0 26 34,-1.1 11,-0.4 -2,-0.3 2,-0.3 0.904 72.1 168.0 85.3 83.1 33.2 19.4 11.7 43 43 A S - 0 0 15 34,-1.4 9,-0.2 33,-0.2 2,-0.2 -0.962 33.4-123.2-138.0 150.3 32.5 18.2 8.2 44 44 A E E -G 51 0C 151 7,-2.4 7,-2.4 -2,-0.3 2,-0.3 -0.553 29.3-118.3 -87.7 145.5 32.3 15.0 6.1 45 45 A K E +G 50 0C 191 5,-0.2 5,-0.2 -2,-0.2 -1,-0.1 -0.645 38.2 170.3 -85.7 135.3 34.3 14.5 2.9 46 46 A T E > -G 49 0C 54 3,-0.9 3,-1.8 -2,-0.3 0, 0.0 -0.871 52.1 -94.0-133.4 171.2 32.2 13.9 -0.3 47 47 A P T 3 S+ 0 0 137 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.734 126.8 47.1 -61.1 -18.1 33.1 13.8 -3.9 48 48 A E T 3 S- 0 0 162 1,-0.4 2,-0.2 0, 0.0 -3,-0.0 0.355 124.4 -84.9-108.7 9.2 32.2 17.5 -4.1 49 49 A G E < S-G 46 0C 33 -3,-1.8 -3,-0.9 2,-0.0 -1,-0.4 -0.698 72.8 -21.6 119.5-175.4 34.1 18.7 -1.1 50 50 A L E -G 45 0C 53 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.451 56.0-165.1 -70.2 139.9 33.4 19.0 2.6 51 51 A R E -G 44 0C 57 -7,-2.4 -7,-2.4 -2,-0.1 2,-0.4 -0.997 8.3-151.0-129.5 133.7 29.8 19.0 3.8 52 52 A N > - 0 0 6 -2,-0.4 4,-2.2 -9,-0.2 -9,-0.1 -0.883 12.6-141.3-105.1 133.7 28.5 20.0 7.2 53 53 A S H > S+ 0 0 85 -2,-0.4 4,-1.9 -11,-0.4 -1,-0.1 0.826 100.4 52.1 -63.7 -35.8 25.3 18.3 8.4 54 54 A D H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 110.4 48.1 -69.2 -39.4 23.9 21.5 10.1 55 55 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.909 109.6 54.4 -66.0 -39.4 24.4 23.4 6.9 56 56 A L H X S+ 0 0 69 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.893 106.6 52.1 -59.6 -37.8 22.7 20.5 5.0 57 57 A A H X S+ 0 0 11 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.922 110.9 45.7 -64.0 -44.6 19.7 20.8 7.4 58 58 A L H X S+ 0 0 2 -4,-1.9 4,-0.5 2,-0.2 -23,-0.2 0.922 112.1 52.4 -66.2 -41.4 19.4 24.6 6.7 59 59 A Q H >< S+ 0 0 50 -4,-2.6 3,-1.1 1,-0.2 7,-0.2 0.937 112.5 45.2 -57.7 -50.8 19.7 24.0 3.0 60 60 A R H 3< S+ 0 0 165 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.778 112.6 50.2 -66.3 -33.0 17.0 21.3 3.1 61 61 A N H 3< S+ 0 0 14 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.2 0.395 87.2 100.9 -89.5 1.5 14.6 23.4 5.2 62 62 A S S << S- 0 0 9 -3,-1.1 -28,-0.2 -4,-0.5 4,-0.1 -0.656 70.7-140.4 -81.7 144.3 14.9 26.5 3.0 63 63 A S S S+ 0 0 40 -2,-0.3 2,-0.2 -30,-0.2 -29,-0.1 0.813 84.6 71.6 -75.3 -29.4 11.9 27.0 0.7 64 64 A L S S- 0 0 38 -31,-1.6 2,-0.7 1,-0.1 -2,-0.1 -0.547 93.9-111.0 -84.6 154.1 14.2 28.2 -2.1 65 65 A Q + 0 0 198 -2,-0.2 2,-0.4 -31,-0.0 -2,-0.1 -0.754 47.9 178.3 -83.7 116.8 16.5 25.8 -3.9 66 66 A L - 0 0 15 -2,-0.7 2,-0.2 -7,-0.2 -4,-0.1 -0.949 29.1-120.5-126.2 149.9 20.0 26.8 -2.9 67 67 A D >> - 0 0 122 -2,-0.4 4,-1.4 1,-0.1 3,-1.0 -0.536 31.4-115.6 -82.0 148.1 23.5 25.4 -3.6 68 68 A Y H 3> S+ 0 0 13 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.881 113.3 54.7 -52.5 -46.5 25.5 24.3 -0.7 69 69 A A H 34 S+ 0 0 68 1,-0.2 -1,-0.2 2,-0.2 5,-0.0 0.786 104.5 56.3 -61.6 -25.4 28.3 26.9 -1.1 70 70 A T H <4 S+ 0 0 41 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.897 112.1 41.3 -71.7 -42.0 25.6 29.6 -0.9 71 71 A V H < S+ 0 0 0 -4,-1.4 -34,-2.9 -3,-0.3 -2,-0.2 0.900 133.7 18.3 -72.2 -38.9 24.3 28.3 2.4 72 72 A N < + 0 0 2 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.750 59.7 170.9-141.3 87.2 27.8 27.7 3.9 73 73 A P S S+ 0 0 49 0, 0.0 2,-0.7 0, 0.0 -34,-0.1 0.849 73.1 55.4 -63.4 -34.4 30.8 29.4 2.2 74 74 A Y E +f 39 0B 19 -36,-2.1 -34,-2.1 -37,-0.3 2,-0.5 -0.877 65.4 170.7-108.8 108.6 33.3 28.4 4.9 75 75 A T E -f 40 0B 29 -2,-0.7 2,-0.4 -36,-0.2 -34,-0.2 -0.955 7.3-175.4-120.5 126.7 33.7 24.7 5.7 76 76 A F E -f 41 0B 0 -36,-2.3 -34,-1.1 -2,-0.5 -33,-0.2 -0.926 23.1-140.4-121.5 143.5 36.4 23.1 7.9 77 77 A A S S+ 0 0 49 -2,-0.4 -34,-1.4 -35,-0.2 -1,-0.1 0.932 81.2 68.4 -68.1 -50.1 37.0 19.4 8.5 78 78 A E S S- 0 0 93 -36,-0.2 2,-2.0 -37,-0.1 -36,-0.3 -0.551 80.0-130.7 -79.6 132.4 37.9 19.5 12.2 79 79 A P + 0 0 108 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.473 67.7 112.5 -79.1 69.1 35.1 20.3 14.8 80 80 A T S S- 0 0 41 -2,-2.0 -4,-0.1 1,-0.1 5,-0.0 -0.733 80.9 -55.4-128.2 178.2 37.1 23.0 16.7 81 81 A S >> - 0 0 35 -2,-0.2 4,-1.5 1,-0.1 3,-1.5 -0.370 53.3-125.0 -57.1 132.5 36.9 26.8 17.2 82 82 A P H 3> S+ 0 0 6 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.833 107.5 57.7 -49.9 -40.6 37.0 28.4 13.7 83 83 A H H 3> S+ 0 0 49 40,-1.4 4,-1.5 1,-0.2 41,-0.1 0.812 106.6 50.9 -64.7 -27.0 39.9 30.7 14.5 84 84 A I H <> S+ 0 0 84 -3,-1.5 4,-2.1 39,-0.2 -1,-0.2 0.951 115.9 36.6 -74.9 -54.5 42.1 27.6 15.3 85 85 A I H X S+ 0 0 2 -4,-1.5 4,-2.8 2,-0.2 6,-0.2 0.864 113.9 59.4 -67.0 -34.4 41.4 25.5 12.2 86 86 A S H X>S+ 0 0 10 -4,-2.6 5,-2.0 -5,-0.3 4,-1.1 0.954 110.0 41.9 -55.4 -50.9 41.4 28.7 10.0 87 87 A A H <5S+ 0 0 78 -4,-1.5 3,-0.3 -5,-0.2 -1,-0.2 0.896 114.2 51.7 -63.7 -44.2 45.0 29.5 11.2 88 88 A Q H <5S+ 0 0 137 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.897 115.1 41.4 -59.8 -44.3 46.1 25.9 10.8 89 89 A E H <5S- 0 0 85 -4,-2.8 -1,-0.2 2,-0.1 -2,-0.2 0.585 106.3-123.1 -80.1 -15.8 44.8 25.6 7.3 90 90 A G T <5S+ 0 0 63 -4,-1.1 -3,-0.2 -3,-0.3 -4,-0.1 0.856 71.1 127.9 73.2 32.8 45.9 29.0 6.1 91 91 A R < - 0 0 143 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.877 48.8-150.4-124.8 93.2 42.4 30.0 5.1 92 92 A P - 0 0 79 0, 0.0 2,-0.7 0, 0.0 33,-0.1 -0.334 15.6-124.4 -60.7 145.9 41.4 33.4 6.7 93 93 A I - 0 0 13 31,-0.4 2,-0.5 -10,-0.0 3,-0.1 -0.863 29.8-149.9 -97.4 113.0 37.7 34.0 7.5 94 94 A E > - 0 0 97 -2,-0.7 4,-2.3 1,-0.1 3,-0.5 -0.802 17.3-154.4 -94.6 123.7 36.8 37.2 5.7 95 95 A S H > S+ 0 0 23 -2,-0.5 4,-2.2 1,-0.3 5,-0.2 0.857 100.3 55.6 -56.9 -37.9 34.1 39.5 7.0 96 96 A L H > S+ 0 0 133 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.857 106.9 48.7 -67.1 -33.9 33.5 40.7 3.5 97 97 A V H > S+ 0 0 61 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.916 111.5 48.4 -72.1 -42.1 32.9 37.2 2.2 98 98 A M H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.901 114.7 46.8 -63.0 -41.8 30.4 36.4 5.0 99 99 A S H X S+ 0 0 14 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.867 109.6 53.6 -67.6 -39.9 28.6 39.7 4.3 100 100 A A H X S+ 0 0 56 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.933 106.8 51.5 -61.9 -46.1 28.6 39.1 0.5 101 101 A G H X S+ 0 0 14 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.837 107.6 53.8 -59.9 -34.6 27.0 35.7 1.0 102 102 A L H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.935 110.0 46.1 -63.9 -47.9 24.3 37.4 3.1 103 103 A R H X S+ 0 0 96 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.860 108.0 58.5 -61.6 -41.0 23.5 39.9 0.3 104 104 A A H >< S+ 0 0 53 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.951 109.4 43.2 -55.1 -47.5 23.5 37.1 -2.2 105 105 A L H >X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 3,-2.3 0.906 105.5 62.2 -66.0 -39.8 20.7 35.3 -0.2 106 106 A E H 3< S+ 0 0 45 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.670 92.6 67.5 -62.1 -17.1 18.8 38.5 0.3 107 107 A Q T << S+ 0 0 172 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.594 116.2 23.0 -80.6 -7.8 18.4 38.8 -3.5 108 108 A Q T <4 S+ 0 0 98 -3,-2.3 2,-0.3 -4,-0.2 -2,-0.2 0.654 114.3 67.4-124.6 -31.6 16.1 35.8 -3.5 109 109 A A < - 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