==== 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 3QXX . 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) . 10915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 69.2 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 . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.2 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 0 195 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 166.1 22.0 -4.1 -5.9 2 -2 A Q - 0 0 118 1,-0.2 110,-0.2 111,-0.0 109,-0.1 -0.243 360.0 -54.4 -69.7 174.8 19.7 -6.9 -4.7 3 -1 A G - 0 0 17 108,-2.7 113,-0.2 111,-0.3 -1,-0.2 -0.168 61.0-110.8 -54.7 149.3 20.0 -10.1 -6.7 4 0 A H E -a 116 0A 29 111,-2.2 113,-2.4 -3,-0.1 2,-0.4 -0.332 26.5-140.9 -73.3 158.5 19.5 -10.0 -10.5 5 1 A M E -a 117 0A 13 111,-0.2 140,-2.5 215,-0.2 2,-0.5 -0.997 13.8-171.0-131.7 128.7 16.5 -11.6 -12.1 6 2 A L E -ab 118 145A 1 111,-2.6 113,-2.8 -2,-0.4 2,-0.4 -0.980 10.4-153.0-122.0 115.4 16.5 -13.5 -15.4 7 3 A F E -ab 119 146A 0 138,-3.4 140,-2.8 -2,-0.5 2,-0.6 -0.753 9.6-150.9 -83.2 138.9 13.2 -14.6 -17.0 8 4 A I E +ab 120 147A 0 111,-2.9 113,-2.8 -2,-0.4 140,-0.2 -0.961 26.9 156.9-116.4 114.7 13.4 -17.7 -19.2 9 5 A S E - b 0 148A 0 138,-2.4 140,-2.6 -2,-0.6 2,-0.3 -0.457 19.5-153.3-116.9-170.9 11.0 -17.9 -22.1 10 6 A A E - b 0 149A 0 138,-0.3 115,-0.6 113,-0.2 140,-0.2 -0.983 37.2 -96.6-158.3 167.3 11.1 -19.8 -25.4 11 7 A T S S- 0 0 15 138,-2.2 2,-0.3 -2,-0.3 113,-0.2 0.849 103.5 -41.0 -57.8 -37.4 10.0 -20.1 -28.9 12 8 A N S > S- 0 0 103 137,-0.4 3,-1.3 111,-0.2 -1,-0.2 -0.965 85.6 -49.4-170.8-178.9 7.3 -22.4 -27.6 13 9 A T T 3 S+ 0 0 95 -2,-0.3 111,-0.1 1,-0.2 109,-0.0 -0.331 119.1 26.7 -60.9 151.1 6.6 -25.1 -25.1 14 10 A N T 3 S+ 0 0 152 1,-0.1 -1,-0.2 109,-0.1 -4,-0.0 0.460 83.9 116.4 72.6 9.4 9.1 -28.1 -25.1 15 11 A A S < S- 0 0 3 -3,-1.3 164,-0.2 134,-0.1 -2,-0.1 0.789 94.4 -88.1 -77.2 -31.6 11.9 -26.0 -26.5 16 12 A G S > S+ 0 0 9 -4,-0.2 4,-2.7 133,-0.1 5,-0.3 0.580 77.2 139.1 132.1 20.8 14.1 -26.5 -23.4 17 13 A K H > S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.936 82.1 40.5 -54.9 -53.3 13.4 -23.8 -20.9 18 14 A T H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.936 116.4 49.5 -64.4 -47.2 13.5 -26.1 -17.9 19 15 A T H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 117.1 40.8 -56.5 -50.0 16.5 -28.1 -19.1 20 16 A C H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.871 111.6 55.8 -71.1 -39.1 18.5 -24.9 -19.9 21 17 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 5,-0.2 0.933 109.7 47.2 -56.5 -47.0 17.4 -23.1 -16.7 22 18 A R H X S+ 0 0 70 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.912 112.2 49.2 -64.5 -39.9 18.7 -26.0 -14.6 23 19 A L H X S+ 0 0 64 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.927 113.4 46.9 -64.4 -41.2 22.0 -26.1 -16.5 24 20 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.926 112.5 48.1 -67.9 -43.7 22.5 -22.4 -16.1 25 21 A A H X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.889 111.1 52.0 -63.6 -37.5 21.7 -22.4 -12.4 26 22 A Q H X S+ 0 0 133 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.936 112.2 45.7 -63.4 -44.0 24.0 -25.3 -11.8 27 23 A Y H X S+ 0 0 67 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.936 113.4 49.1 -64.0 -47.1 26.8 -23.5 -13.6 28 24 A C H ><>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 3,-0.6 0.937 111.4 48.9 -59.1 -49.6 26.2 -20.3 -11.7 29 25 A N H ><5S+ 0 0 55 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.891 109.0 53.5 -56.4 -41.5 26.1 -22.0 -8.4 30 26 A A H 3<5S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.773 107.4 52.7 -64.4 -26.6 29.3 -23.8 -9.2 31 27 A C T <<5S- 0 0 63 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.297 125.6-101.5 -87.7 3.7 30.8 -20.4 -9.9 32 28 A G T < 5S+ 0 0 60 -3,-1.6 2,-0.9 1,-0.2 -3,-0.2 0.604 83.3 130.3 86.2 8.2 29.8 -19.0 -6.5 33 29 A V < - 0 0 21 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.2 -0.883 58.4-137.1 -97.7 102.5 26.7 -17.1 -7.9 34 30 A K - 0 0 80 -2,-0.9 82,-1.9 -3,-0.1 81,-1.6 -0.510 32.4-177.6 -71.3 117.4 24.0 -18.3 -5.6 35 31 A T E -c 116 0A 1 -2,-0.4 2,-0.4 -10,-0.2 82,-0.2 -0.960 18.5-161.8-132.9 129.6 21.0 -18.9 -7.8 36 32 A I E -c 117 0A 0 80,-1.9 82,-2.9 -2,-0.4 2,-0.5 -0.889 13.6-140.5-107.8 148.2 17.4 -20.0 -7.3 37 33 A L E -c 118 0A 1 -2,-0.4 2,-0.4 21,-0.3 82,-0.2 -0.923 21.4-175.3-110.8 126.0 15.0 -21.5 -9.9 38 34 A L E -c 119 0A 0 80,-3.0 82,-3.0 -2,-0.5 37,-0.2 -0.914 20.4-173.8-124.1 142.8 11.3 -20.4 -9.8 39 35 A K + 0 0 7 35,-2.3 37,-0.2 -2,-0.4 82,-0.1 -0.755 12.4 176.8-130.0 80.4 8.3 -21.6 -11.8 40 36 A P + 0 0 1 0, 0.0 37,-2.1 0, 0.0 36,-2.1 0.833 69.2 30.0 -64.9 -34.5 5.6 -19.2 -10.7 41 37 A I E +f 77 0B 2 79,-0.5 2,-0.4 35,-0.2 37,-0.2 -0.992 68.7 171.8-126.5 129.0 2.9 -20.5 -13.1 42 38 A E E -f 78 0B 13 35,-2.6 37,-2.0 -2,-0.4 2,-0.2 -0.990 7.8-170.8-142.0 130.6 2.7 -24.1 -14.3 43 39 A T + 0 0 31 -2,-0.4 39,-0.2 35,-0.2 37,-0.2 -0.685 63.8 43.1-108.4 169.6 -0.0 -25.9 -16.3 44 40 A G S S+ 0 0 33 37,-1.7 2,-0.4 -2,-0.2 36,-0.3 0.778 84.3 133.6 70.2 26.8 -0.6 -29.5 -17.1 45 41 A V - 0 0 16 34,-2.6 2,-0.3 -3,-0.2 -1,-0.2 -0.864 41.5-173.3-116.9 148.5 0.3 -30.8 -13.7 46 42 A N >> - 0 0 70 -2,-0.4 4,-1.7 1,-0.1 3,-1.1 -0.827 8.2-178.5-135.0 93.2 -1.1 -33.2 -11.2 47 43 A D T 34 S+ 0 0 51 -2,-0.3 -1,-0.1 1,-0.3 6,-0.0 0.625 77.3 66.0 -70.9 -13.9 0.9 -32.9 -8.0 48 44 A A T 34 S+ 0 0 79 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.769 120.8 19.3 -71.2 -30.0 -1.0 -35.6 -6.1 49 45 A I T <4 S+ 0 0 133 -3,-1.1 2,-0.4 1,-0.2 -2,-0.2 0.556 120.4 53.4-119.2 -14.7 0.3 -38.1 -8.6 50 46 A N < + 0 0 78 -4,-1.7 -1,-0.2 1,-0.1 3,-0.2 -0.993 40.8 179.4-140.4 130.4 3.4 -36.8 -10.3 51 47 A H + 0 0 120 -2,-0.4 -4,-0.1 1,-0.1 -1,-0.1 -0.147 68.3 83.4-120.2 36.2 6.6 -35.3 -8.9 52 48 A S + 0 0 82 4,-0.1 -1,-0.1 5,-0.0 -5,-0.0 0.136 56.0 127.5-127.0 17.1 8.4 -34.5 -12.1 53 49 A S S > S- 0 0 9 -3,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.142 78.1 -99.5 -64.2 166.6 6.9 -31.1 -13.0 54 50 A D H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.925 126.7 51.3 -56.6 -45.3 9.2 -28.2 -13.8 55 51 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.860 108.2 52.1 -61.0 -38.1 8.7 -26.9 -10.3 56 52 A H H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.888 110.8 47.0 -64.6 -39.0 9.5 -30.3 -8.8 57 53 A L H X S+ 0 0 40 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.930 113.5 48.7 -68.3 -41.9 12.8 -30.4 -10.7 58 54 A F H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -21,-0.3 0.895 108.7 54.0 -59.5 -44.2 13.6 -26.9 -9.7 59 55 A L H X S+ 0 0 27 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.917 105.1 53.7 -59.9 -43.5 12.8 -27.8 -6.1 60 56 A Q H < S+ 0 0 108 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.949 114.2 41.7 -55.8 -49.0 15.2 -30.7 -6.1 61 57 A D H >< S+ 0 0 40 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.913 113.7 52.8 -65.5 -41.5 18.0 -28.4 -7.3 62 58 A N H >X S+ 0 0 3 -4,-2.9 3,-2.1 1,-0.3 4,-1.3 0.788 95.1 67.5 -67.2 -32.4 17.0 -25.6 -5.0 63 59 A R T 3< S+ 0 0 81 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.651 83.8 74.7 -68.1 -10.5 17.1 -27.7 -1.9 64 60 A L T <4 S+ 0 0 140 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.617 110.2 30.0 -67.9 -12.9 20.8 -28.0 -2.3 65 61 A L T <4 S+ 0 0 72 -3,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.592 135.6 22.0-116.7 -22.6 20.9 -24.4 -1.1 66 62 A D >< - 0 0 55 -4,-1.3 3,-1.4 1,-0.1 -1,-0.2 -0.817 54.9-168.8-153.6 99.2 17.9 -24.4 1.3 67 63 A R T 3 S+ 0 0 159 -2,-0.3 -4,-0.1 1,-0.2 -1,-0.1 0.729 85.7 66.7 -61.8 -22.4 16.4 -27.6 2.8 68 64 A S T 3 S+ 0 0 83 2,-0.0 -1,-0.2 -5,-0.0 -5,-0.1 0.591 74.1 113.1 -79.0 -14.1 13.3 -25.7 4.0 69 65 A L < - 0 0 9 -3,-1.4 2,-0.3 -7,-0.1 -3,-0.0 -0.365 43.5-175.8 -61.5 141.0 12.0 -24.9 0.5 70 66 A T >> - 0 0 53 -2,-0.1 3,-1.6 1,-0.0 4,-0.5 -0.812 42.3 -96.4-127.3 167.7 8.8 -26.6 -0.5 71 67 A L H >> S+ 0 0 30 1,-0.3 3,-1.7 -2,-0.3 4,-1.3 0.890 121.1 58.0 -53.6 -44.7 6.9 -26.6 -3.8 72 68 A K H 34 S+ 0 0 143 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.659 98.4 61.6 -65.3 -16.3 4.6 -23.7 -2.7 73 69 A D H <4 S+ 0 0 56 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.662 116.5 28.4 -77.9 -19.0 7.6 -21.5 -2.1 74 70 A I H << S+ 0 0 0 -3,-1.7 -35,-2.3 -4,-0.5 2,-0.3 0.445 122.2 43.8-125.0 -5.6 8.7 -21.6 -5.7 75 71 A S < + 0 0 4 -4,-1.3 -1,-0.3 -37,-0.2 -34,-0.1 -0.974 53.4 170.7-147.6 130.1 5.4 -22.1 -7.7 76 72 A F + 0 0 41 -36,-2.1 2,-0.5 -2,-0.3 -35,-0.2 0.697 65.1 44.6-122.7 -29.2 2.2 -20.3 -7.0 77 73 A Y E +f 41 0B 39 -37,-2.1 -35,-2.6 2,-0.0 2,-0.4 -0.974 66.5 170.8-126.2 112.3 -0.4 -20.9 -9.7 78 74 A R E -f 42 0B 51 -2,-0.5 2,-0.3 -37,-0.2 -35,-0.2 -0.985 5.6-178.7-133.7 130.2 -0.7 -24.5 -10.7 79 75 A Y - 0 0 7 -37,-2.0 -34,-2.6 -2,-0.4 -35,-0.1 -0.940 30.6-141.1-134.0 148.6 -3.3 -26.1 -13.0 80 76 A H S S+ 0 0 112 -2,-0.3 -1,-0.1 -36,-0.3 -37,-0.1 0.851 74.9 96.0 -74.1 -37.5 -4.3 -29.5 -14.3 81 77 A K S S- 0 0 75 -37,-0.1 -37,-1.7 1,-0.1 2,-1.6 -0.312 75.1-133.8 -63.6 134.3 -5.3 -28.4 -17.8 82 78 A V S S+ 0 0 131 -39,-0.2 2,-0.3 -38,-0.2 -1,-0.1 -0.624 73.4 90.3 -87.8 79.5 -2.5 -28.7 -20.5 83 79 A S S S- 0 0 29 -2,-1.6 -4,-0.1 -4,-0.1 -40,-0.1 -0.890 87.7 -51.0-156.0 178.2 -3.2 -25.2 -21.8 84 80 A A > - 0 0 32 -2,-0.3 4,-2.3 1,-0.1 3,-0.4 -0.338 57.6-115.2 -60.2 146.4 -2.3 -21.5 -21.6 85 81 A P H > S+ 0 0 1 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.893 112.2 58.3 -56.3 -38.3 -2.6 -20.3 -18.0 86 82 A L H > S+ 0 0 17 42,-2.2 4,-2.3 1,-0.2 5,-0.2 0.894 110.1 43.6 -59.5 -46.9 -5.4 -17.9 -18.7 87 83 A I H > S+ 0 0 69 -3,-0.4 4,-1.9 41,-0.3 -1,-0.2 0.918 113.5 50.3 -65.4 -47.2 -7.6 -20.8 -20.0 88 84 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.4 0.928 112.2 48.1 -54.8 -43.2 -6.7 -23.1 -17.2 89 85 A Q H X S+ 0 0 7 -4,-2.9 4,-2.8 1,-0.2 7,-0.2 0.936 109.8 51.0 -67.2 -45.3 -7.4 -20.5 -14.6 90 86 A Q H < S+ 0 0 95 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.850 118.1 39.6 -63.0 -33.5 -10.8 -19.6 -16.1 91 87 A E H < S+ 0 0 119 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.893 128.9 26.6 -81.2 -43.8 -11.8 -23.2 -16.1 92 88 A E H < S+ 0 0 75 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.700 137.0 19.3 -95.0 -23.0 -10.4 -24.5 -12.8 93 89 A D >< + 0 0 69 -4,-2.8 3,-2.2 -5,-0.4 -1,-0.2 -0.433 64.5 164.7-148.5 60.4 -10.3 -21.3 -10.6 94 90 A P T 3 S+ 0 0 79 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.768 75.9 55.3 -62.2 -24.7 -12.7 -18.8 -12.2 95 91 A N T 3 S+ 0 0 156 1,-0.2 -5,-0.1 -6,-0.1 -6,-0.0 0.456 102.5 59.7 -88.2 0.4 -12.8 -16.6 -9.0 96 92 A A < - 0 0 32 -3,-2.2 -1,-0.2 -7,-0.2 3,-0.1 -0.617 67.1-168.5-132.8 74.1 -9.0 -16.1 -8.8 97 93 A P - 0 0 82 0, 0.0 33,-0.1 0, 0.0 2,-0.1 -0.306 46.4 -88.8 -51.4 141.6 -7.4 -14.4 -11.9 98 94 A I - 0 0 5 31,-0.4 2,-0.8 1,-0.1 31,-0.0 -0.393 40.9-143.0 -59.4 129.9 -3.6 -14.7 -11.8 99 95 A D > - 0 0 74 1,-0.2 4,-2.2 -3,-0.1 5,-0.1 -0.860 19.8-178.5-104.0 98.7 -2.3 -11.7 -9.8 100 96 A T H > S+ 0 0 6 -2,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.731 81.7 60.8 -74.5 -21.1 1.0 -10.6 -11.4 101 97 A D H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.939 108.1 45.4 -65.1 -47.1 1.4 -7.8 -8.8 102 98 A N H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.943 112.7 49.8 -58.5 -48.3 1.5 -10.5 -6.2 103 99 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.867 106.9 55.6 -58.4 -40.1 3.9 -12.7 -8.2 104 100 A T H X S+ 0 0 24 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.924 109.8 46.7 -58.8 -46.5 6.2 -9.7 -8.8 105 101 A Q H X S+ 0 0 85 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.939 112.9 48.4 -61.2 -45.1 6.5 -9.2 -5.0 106 102 A R H X S+ 0 0 113 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.896 114.2 45.7 -64.4 -40.8 7.1 -12.9 -4.3 107 103 A L H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 4,-0.3 0.929 112.2 50.4 -70.1 -44.3 9.7 -13.2 -7.0 108 104 A H H >< S+ 0 0 67 -4,-2.6 3,-1.6 1,-0.2 4,-0.3 0.789 96.7 69.8 -64.6 -25.7 11.5 -10.0 -5.9 109 105 A N H >< S+ 0 0 87 -4,-1.7 3,-1.5 1,-0.3 4,-0.4 0.861 92.0 60.2 -61.2 -32.3 11.6 -11.2 -2.4 110 106 A F G XX S+ 0 0 32 -3,-1.0 4,-1.3 -4,-0.7 3,-0.7 0.670 85.6 75.7 -68.9 -16.1 14.1 -13.8 -3.4 111 107 A T G <4 S+ 0 0 6 -3,-1.6 -108,-2.7 -4,-0.3 -1,-0.3 0.623 86.5 64.8 -70.7 -14.1 16.5 -11.1 -4.6 112 108 A K G <4 S+ 0 0 142 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.879 115.2 26.3 -66.2 -42.0 17.3 -10.5 -0.8 113 109 A T T <4 S+ 0 0 81 -3,-0.7 2,-0.3 -4,-0.4 -2,-0.2 0.454 116.7 59.2-111.2 -2.2 18.8 -14.0 -0.4 114 110 A Y < - 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0 0 34 -4,-0.7 4,-0.0 -3,-0.4 0, 0.0 -0.890 64.2-144.6-122.5 147.6 23.1 -7.8 -35.9 203 199 A N S S+ 0 0 176 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.664 99.2 48.0 -79.8 -16.8 24.1 -6.0 -32.7 204 200 A N S S- 0 0 39 -29,-0.0 -1,-0.2 2,-0.0 2,-0.1 -0.901 86.9-151.9-129.3 95.7 22.5 -8.7 -30.5 205 201 A P - 0 0 45 0, 0.0 2,-0.5 0, 0.0 -29,-0.4 -0.380 14.5-121.4 -78.4 153.9 23.6 -12.2 -31.7 206 202 A I - 0 0 4 -11,-0.3 2,-0.2 -31,-0.1 -29,-0.2 -0.762 38.9-166.3 -86.2 126.6 21.7 -15.5 -31.5 207 203 A V E -e 177 0A 26 -31,-2.4 -29,-2.7 -2,-0.5 2,-0.5 -0.666 25.3-110.2-112.2 168.9 23.9 -17.9 -29.5 208 204 A I E > -e 178 0A 8 -31,-0.3 3,-1.1 -2,-0.2 4,-0.4 -0.888 25.8-141.0 -97.5 122.9 24.0 -21.7 -28.9 209 205 A F G > S+ 0 0 1 -31,-2.8 3,-2.2 -2,-0.5 -30,-0.2 0.912 98.7 54.3 -50.2 -47.0 23.0 -22.3 -25.2 210 206 A Q G 3 S+ 0 0 76 -32,-0.5 3,-0.3 1,-0.3 -1,-0.3 0.735 111.3 45.7 -68.0 -21.7 25.6 -25.1 -24.8 211 207 A Q G < S+ 0 0 146 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.426 110.9 58.7 -85.9 -7.7 28.4 -22.9 -25.9 212 208 A S <> + 0 0 8 -3,-2.2 4,-2.8 -4,-0.4 5,-0.3 0.076 53.7 117.3-124.3 15.9 27.3 -20.0 -23.8 213 209 A L H > S+ 0 0 45 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.944 88.6 42.4 -55.6 -45.3 27.1 -20.8 -20.1 214 210 A K H > S+ 0 0 102 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.945 116.1 47.6 -66.2 -47.9 29.8 -18.2 -19.2 215 211 A V H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.868 112.8 49.2 -59.6 -41.6 28.4 -15.5 -21.5 216 212 A L H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.891 109.6 50.8 -74.6 -33.7 24.8 -16.0 -20.3 217 213 A M H X S+ 0 0 30 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.950 112.0 48.3 -61.4 -46.7 25.9 -15.8 -16.6 218 214 A S H X S+ 0 0 76 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.920 112.6 49.5 -57.0 -47.4 27.7 -12.5 -17.5 219 215 A F H >< S+ 0 0 14 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.922 109.7 50.2 -56.5 -49.3 24.6 -11.3 -19.3 220 216 A A H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.876 117.9 38.9 -61.8 -34.9 22.3 -12.2 -16.4 221 217 A L H 3< S+ 0 0 50 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.504 87.3 119.8 -95.6 -4.5 24.5 -10.4 -13.8 222 218 A K S << S- 0 0 100 -4,-1.0 -3,-0.0 -3,-0.7 -4,-0.0 -0.315 72.3 -24.9 -73.5 142.5 25.6 -7.3 -15.8 223 219 A G 0 0 57 1,-0.2 0, 0.0 -2,-0.0 0, 0.0 -0.187 360.0 360.0 70.0-155.7 24.8 -3.8 -14.7 224 220 A S 0 0 118 -220,-0.0 -1,-0.2 -223,-0.0 -2,-0.1 0.510 360.0 360.0 -77.6 360.0 21.9 -2.8 -12.4