==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 02-MAR-11 3QY0 . COMPND 2 MOLECULE: DETHIOBIOTIN SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR P.J.POREBSKI,M.M.KLIMECKA,M.CHRUSZCZ,K.MURZYN,A.JOACHIMIAK,W . 224 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 16 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 0 0 2 2 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 1 3 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 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 . 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 -3 A F 0 0 198 0, 0.0 3,-0.1 0, 0.0 223,-0.0 0.000 360.0 360.0 360.0 170.7 22.2 -3.3 -5.8 2 -2 A Q - 0 0 119 1,-0.2 110,-0.2 111,-0.0 109,-0.1 -0.156 360.0 -54.0 -72.8 179.4 19.8 -6.1 -4.8 3 -1 A G - 0 0 17 108,-2.9 113,-0.2 111,-0.3 -1,-0.2 -0.197 58.4-114.8 -58.5 148.2 20.0 -9.4 -6.8 4 0 A H E -a 116 0A 33 111,-2.2 113,-2.4 -3,-0.1 2,-0.4 -0.403 25.2-140.0 -74.6 159.6 19.5 -9.3 -10.7 5 1 A M E -a 117 0A 12 111,-0.2 140,-2.2 138,-0.2 2,-0.5 -0.999 14.1-170.5-130.1 130.3 16.5 -10.9 -12.3 6 2 A L E -ab 118 145A 1 111,-2.6 113,-2.8 -2,-0.4 2,-0.3 -0.993 10.0-153.3-124.1 119.3 16.5 -13.0 -15.5 7 3 A F E -ab 119 146A 0 138,-3.2 140,-2.7 -2,-0.5 2,-0.5 -0.723 8.8-152.2 -86.8 137.0 13.3 -14.0 -17.1 8 4 A I E +ab 120 147A 0 111,-2.8 113,-2.7 -2,-0.3 140,-0.2 -0.966 26.0 157.3-117.0 117.8 13.5 -17.2 -19.3 9 5 A S E - b 0 148A 0 138,-2.4 140,-2.7 -2,-0.5 2,-0.3 -0.522 20.2-151.3-120.1-175.6 10.9 -17.5 -22.2 10 6 A A E - b 0 149A 1 138,-0.3 115,-0.5 -2,-0.2 140,-0.2 -0.984 32.5-109.6-154.0 168.0 11.1 -19.6 -25.4 11 7 A T S S- 0 0 25 138,-2.1 2,-0.3 -2,-0.3 139,-0.1 0.790 103.9 -4.9 -64.6 -34.9 10.1 -19.9 -29.0 12 8 A N S > S- 0 0 53 137,-0.4 3,-1.3 -3,-0.1 4,-0.2 -0.971 83.1 -88.0-155.0 153.3 7.8 -22.8 -27.9 13 9 A T T 3 S+ 0 0 92 -2,-0.3 109,-0.0 110,-0.3 -4,-0.0 -0.460 118.9 31.6 -64.1 151.4 6.8 -25.0 -24.9 14 10 A N T 3 S+ 0 0 156 -2,-0.1 -1,-0.2 1,-0.1 -4,-0.0 0.462 84.7 118.8 68.2 9.7 9.3 -27.9 -24.8 15 11 A A S < S- 0 0 4 -3,-1.3 164,-0.1 134,-0.1 -2,-0.1 0.775 92.8 -90.0 -71.5 -31.6 12.1 -25.7 -26.3 16 12 A G S > S+ 0 0 10 -4,-0.2 4,-2.7 133,-0.1 5,-0.3 0.556 78.1 137.8 132.6 17.5 14.3 -26.1 -23.2 17 13 A K H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.938 80.0 42.3 -58.8 -49.5 13.6 -23.4 -20.7 18 14 A T H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.931 116.9 46.2 -66.0 -46.6 13.7 -25.6 -17.7 19 15 A T H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.945 117.3 44.0 -60.3 -45.4 16.8 -27.6 -18.8 20 16 A C H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.906 112.4 52.5 -70.4 -37.7 18.7 -24.5 -19.8 21 17 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.3 5,-0.2 0.926 111.1 47.4 -61.1 -45.8 17.6 -22.6 -16.6 22 18 A R H X S+ 0 0 63 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.917 112.8 48.1 -65.5 -39.4 18.8 -25.4 -14.4 23 19 A L H X S+ 0 0 68 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.900 113.5 48.4 -65.3 -41.1 22.1 -25.6 -16.3 24 20 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.930 112.8 46.9 -65.5 -46.0 22.6 -21.8 -16.0 25 21 A A H X S+ 0 0 3 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.899 111.0 52.4 -63.9 -36.9 21.8 -21.7 -12.3 26 22 A Q H X S+ 0 0 130 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.932 112.2 45.6 -62.7 -45.6 24.1 -24.7 -11.7 27 23 A Y H X S+ 0 0 64 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.951 114.0 48.6 -61.6 -47.6 26.9 -22.8 -13.5 28 24 A C H ><>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 3,-0.5 0.940 112.4 48.0 -59.4 -48.0 26.2 -19.5 -11.7 29 25 A N H ><5S+ 0 0 54 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.884 109.2 53.3 -60.7 -43.4 26.1 -21.3 -8.3 30 26 A A H 3<5S+ 0 0 87 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.781 107.6 52.7 -62.4 -25.8 29.4 -23.1 -9.1 31 27 A C T <<5S- 0 0 64 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.318 125.8-102.3 -88.1 6.7 30.9 -19.7 -9.8 32 28 A G T < 5S+ 0 0 63 -3,-1.7 2,-0.8 1,-0.2 -3,-0.2 0.623 82.7 130.5 80.4 10.8 29.8 -18.3 -6.4 33 29 A V < - 0 0 21 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.2 -0.892 59.5-134.5 -97.7 105.2 26.8 -16.4 -7.8 34 30 A K - 0 0 80 -2,-0.8 82,-2.0 -3,-0.1 81,-1.4 -0.512 33.1-176.8 -72.6 120.0 24.0 -17.5 -5.5 35 31 A T E -c 116 0A 0 -2,-0.4 2,-0.4 80,-0.2 82,-0.2 -0.966 17.7-163.7-134.6 128.1 21.0 -18.3 -7.8 36 32 A I E -c 117 0A 0 80,-2.0 82,-3.1 -2,-0.4 2,-0.5 -0.883 13.8-141.4-109.6 147.6 17.4 -19.3 -7.3 37 33 A L E -c 118 0A 1 -2,-0.4 2,-0.4 21,-0.2 82,-0.2 -0.917 21.5-175.1-110.2 122.2 15.0 -20.9 -9.9 38 34 A L E -c 119 0A 0 80,-3.2 82,-2.9 -2,-0.5 37,-0.2 -0.917 20.5-173.1-122.3 147.2 11.4 -19.8 -9.8 39 35 A K + 0 0 7 35,-2.3 37,-0.2 -2,-0.4 82,-0.1 -0.754 12.1 176.3-131.9 75.9 8.3 -21.0 -11.8 40 36 A P + 0 0 1 0, 0.0 37,-2.3 0, 0.0 36,-2.1 0.821 69.6 29.3 -62.6 -31.3 5.6 -18.6 -10.8 41 37 A I E +f 77 0B 1 79,-0.4 2,-0.4 35,-0.2 37,-0.2 -0.994 69.1 171.6-129.5 129.3 2.9 -19.9 -13.1 42 38 A E E -f 78 0B 12 35,-2.4 37,-2.1 -2,-0.4 3,-0.2 -0.987 9.1-168.4-142.3 131.6 2.7 -23.5 -14.3 43 39 A T + 0 0 35 -2,-0.4 39,-0.2 35,-0.2 37,-0.2 -0.623 65.5 43.8-104.4 171.1 0.0 -25.4 -16.3 44 40 A G S S+ 0 0 38 37,-1.7 2,-0.3 -2,-0.2 36,-0.2 0.787 84.3 134.4 69.2 28.9 -0.4 -29.0 -17.0 45 41 A V - 0 0 13 34,-2.6 2,-0.2 -3,-0.2 -1,-0.2 -0.778 40.1-175.6-117.5 155.4 0.3 -30.1 -13.4 46 42 A N >> + 0 0 68 -2,-0.3 4,-2.3 4,-0.1 3,-1.5 -0.691 7.1 179.9-145.7 85.9 -1.1 -32.4 -10.8 47 43 A D T 34 S+ 0 0 53 1,-0.3 -1,-0.1 -2,-0.2 6,-0.0 0.625 77.2 66.5 -68.1 -17.8 0.8 -32.1 -7.6 48 44 A A T 34 S+ 0 0 78 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.825 121.3 17.2 -69.1 -27.8 -1.3 -34.6 -5.8 49 45 A I T <4 S+ 0 0 128 -3,-1.5 2,-0.4 1,-0.2 -2,-0.2 0.615 121.4 51.7-120.2 -20.6 0.1 -37.3 -8.1 50 46 A N < - 0 0 71 -4,-2.3 3,-0.2 1,-0.1 -1,-0.2 -0.982 41.3-179.1-136.3 130.7 3.3 -36.1 -9.9 51 47 A H + 0 0 120 -2,-0.4 -4,-0.1 1,-0.1 -1,-0.1 -0.184 67.0 85.2-122.8 40.2 6.4 -34.5 -8.5 52 48 A S + 0 0 79 4,-0.1 -1,-0.1 5,-0.0 -5,-0.0 0.155 55.5 125.4-125.3 17.3 8.3 -33.9 -11.7 53 49 A S S > S- 0 0 8 -3,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.204 79.4 -97.8 -65.1 171.2 6.9 -30.5 -12.8 54 50 A D H > S+ 0 0 38 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.914 126.7 52.5 -59.1 -46.0 9.2 -27.6 -13.5 55 51 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 108.4 51.5 -61.7 -34.8 8.6 -26.2 -10.0 56 52 A H H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 111.2 46.2 -63.8 -46.3 9.5 -29.6 -8.5 57 53 A L H X S+ 0 0 48 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.924 114.4 48.7 -64.3 -44.2 12.8 -29.8 -10.4 58 54 A F H X S+ 0 0 0 -4,-2.9 4,-3.1 -5,-0.2 -21,-0.2 0.909 108.5 54.2 -56.6 -45.6 13.6 -26.2 -9.4 59 55 A L H X S+ 0 0 27 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.908 106.2 52.4 -56.9 -45.7 12.7 -27.0 -5.8 60 56 A Q H < S+ 0 0 129 -4,-2.2 4,-0.4 1,-0.2 3,-0.2 0.951 115.0 40.8 -58.7 -49.5 15.2 -29.9 -5.8 61 57 A D H >< S+ 0 0 38 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.906 113.9 53.6 -63.5 -42.7 18.0 -27.7 -7.1 62 58 A N H >X S+ 0 0 3 -4,-3.1 3,-2.3 1,-0.3 4,-1.3 0.802 95.0 67.9 -64.8 -29.7 17.1 -24.8 -4.9 63 59 A R T 3< S+ 0 0 80 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.634 82.8 73.9 -73.4 -8.3 17.1 -26.8 -1.7 64 60 A L T <4 S+ 0 0 141 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.642 110.0 32.1 -69.0 -16.2 20.9 -27.1 -2.1 65 61 A L T <4 S+ 0 0 71 -3,-2.3 2,-0.3 1,-0.2 -2,-0.2 0.583 136.7 18.6-108.6 -26.4 20.9 -23.4 -1.0 66 62 A D >< - 0 0 55 -4,-1.3 3,-1.4 1,-0.1 -1,-0.2 -0.788 55.9-169.1-150.3 103.5 17.8 -23.4 1.4 67 63 A R T 3 S+ 0 0 156 -2,-0.3 -4,-0.1 1,-0.3 -1,-0.1 0.748 85.7 67.1 -63.6 -24.5 16.4 -26.6 2.8 68 64 A S T 3 S+ 0 0 84 2,-0.0 -1,-0.3 -5,-0.0 -5,-0.1 0.589 73.4 112.6 -74.9 -14.6 13.4 -24.8 4.1 69 65 A L < - 0 0 10 -3,-1.4 2,-0.3 -7,-0.1 -3,-0.0 -0.367 44.4-173.7 -61.7 143.9 12.0 -24.0 0.6 70 66 A T >> - 0 0 49 -2,-0.0 3,-1.8 1,-0.0 4,-0.6 -0.803 41.5 -96.2-128.3 171.7 8.7 -25.8 -0.4 71 67 A L H >> S+ 0 0 30 1,-0.3 3,-1.6 -2,-0.3 4,-1.1 0.871 121.4 58.5 -59.7 -42.3 6.9 -25.8 -3.7 72 68 A K H 34 S+ 0 0 144 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.612 98.2 62.8 -65.7 -12.9 4.5 -23.0 -2.6 73 69 A D H <4 S+ 0 0 55 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.700 115.3 28.1 -80.9 -17.3 7.6 -20.7 -2.1 74 70 A I H << S+ 0 0 0 -3,-1.6 -35,-2.3 -4,-0.6 2,-0.3 0.421 121.1 44.1-127.2 0.8 8.6 -20.9 -5.7 75 71 A S < + 0 0 5 -4,-1.1 -1,-0.3 -37,-0.2 -34,-0.2 -0.963 53.2 172.8-152.4 128.0 5.4 -21.4 -7.7 76 72 A F + 0 0 42 -36,-2.1 2,-0.5 -2,-0.3 -35,-0.2 0.754 65.3 44.2-117.8 -31.2 2.2 -19.5 -7.1 77 73 A Y E +f 41 0B 40 -37,-2.3 -35,-2.4 2,-0.0 2,-0.4 -0.974 66.7 173.4-124.0 112.2 -0.4 -20.2 -9.7 78 74 A R E -f 42 0B 49 -2,-0.5 2,-0.3 -37,-0.2 -35,-0.2 -0.984 4.5-177.6-130.0 130.4 -0.7 -23.9 -10.7 79 75 A Y - 0 0 6 -37,-2.1 -34,-2.6 -2,-0.4 -35,-0.1 -0.952 30.9-143.2-131.4 148.5 -3.3 -25.5 -13.0 80 76 A H S S+ 0 0 114 -2,-0.3 -1,-0.1 -36,-0.2 -37,-0.1 0.840 74.7 96.3 -72.3 -38.7 -4.2 -28.9 -14.2 81 77 A K S S- 0 0 72 -37,-0.1 -37,-1.7 7,-0.1 2,-1.0 -0.276 72.1-136.4 -61.7 137.0 -5.1 -27.7 -17.8 82 78 A V S S+ 0 0 131 -39,-0.2 2,-0.3 -38,-0.1 -1,-0.1 -0.863 72.4 90.4 -87.6 100.1 -2.7 -27.9 -20.6 83 79 A S S S- 0 0 32 -2,-1.0 -40,-0.1 0, 0.0 40,-0.0 -0.946 88.3 -54.1-172.3 175.5 -3.4 -24.5 -22.0 84 80 A A > - 0 0 29 -2,-0.3 4,-2.3 1,-0.1 3,-0.4 -0.428 57.1-112.1 -61.3 150.7 -2.4 -20.8 -21.7 85 81 A P H > S+ 0 0 1 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.883 115.2 57.2 -55.8 -40.3 -2.5 -19.6 -18.1 86 82 A L H > S+ 0 0 18 42,-2.2 4,-2.6 1,-0.2 5,-0.2 0.910 110.2 43.5 -57.6 -45.5 -5.4 -17.2 -18.8 87 83 A I H > S+ 0 0 67 -3,-0.4 4,-2.1 41,-0.3 -1,-0.2 0.921 113.9 49.6 -68.6 -42.0 -7.6 -20.0 -20.0 88 84 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.4 0.909 113.0 49.1 -62.2 -43.1 -6.6 -22.5 -17.2 89 85 A Q H X S+ 0 0 8 -4,-3.0 4,-2.7 -5,-0.2 7,-0.2 0.951 109.5 50.0 -60.7 -49.5 -7.3 -19.7 -14.7 90 86 A Q H < S+ 0 0 93 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.868 119.7 38.5 -57.6 -38.0 -10.8 -18.8 -16.2 91 87 A E H < S+ 0 0 118 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.919 128.3 27.0 -80.7 -43.7 -11.7 -22.5 -16.1 92 88 A E H < S+ 0 0 74 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.738 136.9 19.5 -97.4 -21.8 -10.2 -23.8 -12.9 93 89 A D >< + 0 0 69 -4,-2.7 3,-2.3 -5,-0.4 -1,-0.2 -0.491 65.9 165.5-147.2 58.9 -10.1 -20.6 -10.7 94 90 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.765 75.9 54.2 -59.2 -24.1 -12.6 -18.1 -12.2 95 91 A N T 3 S+ 0 0 158 1,-0.2 -5,-0.1 -6,-0.1 -6,-0.0 0.497 102.0 62.2 -87.6 -2.8 -12.6 -15.9 -9.1 96 92 A A < - 0 0 33 -3,-2.3 -1,-0.2 -7,-0.2 3,-0.1 -0.604 65.6-170.2-131.9 74.8 -8.8 -15.5 -8.9 97 93 A P - 0 0 79 0, 0.0 33,-0.1 0, 0.0 2,-0.1 -0.254 47.0 -89.0 -53.3 144.0 -7.3 -13.7 -12.0 98 94 A I - 0 0 5 31,-0.4 2,-0.9 1,-0.1 3,-0.1 -0.425 39.3-141.6 -65.0 128.2 -3.5 -14.0 -11.8 99 95 A D > + 0 0 73 1,-0.2 4,-2.3 -2,-0.1 5,-0.1 -0.819 22.1 178.9-100.1 99.2 -2.2 -11.0 -9.9 100 96 A T H > S+ 0 0 5 -2,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.743 80.8 59.8 -73.9 -22.7 1.0 -9.9 -11.6 101 97 A D H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.961 108.8 44.3 -65.5 -46.2 1.5 -7.1 -9.1 102 98 A N H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.915 113.1 50.8 -62.5 -44.6 1.6 -9.6 -6.3 103 99 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.890 106.3 55.4 -60.8 -38.0 3.9 -11.8 -8.3 104 100 A T H X S+ 0 0 23 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.920 110.2 46.5 -61.4 -43.1 6.3 -8.9 -9.0 105 101 A Q H X S+ 0 0 75 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.931 113.1 48.0 -63.5 -45.6 6.5 -8.3 -5.2 106 102 A R H X S+ 0 0 106 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.932 114.7 45.5 -63.7 -43.2 7.1 -12.0 -4.4 107 103 A L H >< S+ 0 0 0 -4,-2.8 3,-1.0 1,-0.2 4,-0.5 0.911 111.2 52.1 -67.6 -45.1 9.8 -12.4 -7.1 108 104 A H H >< S+ 0 0 65 -4,-2.4 3,-1.6 -5,-0.3 4,-0.3 0.870 97.6 66.9 -64.0 -27.7 11.5 -9.2 -6.1 109 105 A N H >< S+ 0 0 87 -4,-2.0 3,-1.7 1,-0.3 4,-0.5 0.866 92.6 61.2 -57.6 -30.0 11.7 -10.3 -2.5 110 106 A F T - 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