==== 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 TRANSFERASE 19-NOV-08 3FBU . COMPND 2 MOLECULE: ACETYLTRANSFERASE, GNAT FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR. STERNE; . AUTHOR R.ZHANG,X.XU,H.CUI,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWES . 332 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 25.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.4 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 0 0 0 0 2 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 2 2 0 0 4 0 4 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 . 0 0 0 0 0 0 2 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 M 0 0 34 0, 0.0 2,-0.3 0, 0.0 11,-0.2 0.000 360.0 360.0 360.0 132.3 13.3 70.9 11.6 2 2 A F + 0 0 110 9,-0.2 2,-0.4 2,-0.0 9,-0.2 -0.874 360.0 170.4-131.6 116.7 12.5 73.4 14.3 3 3 A I E -A 10 0A 15 7,-2.2 7,-2.4 -2,-0.3 2,-0.5 -0.977 22.1-156.2-131.0 130.2 12.1 71.5 17.5 4 4 A K E +A 9 0A 164 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.948 18.5 173.3-107.3 125.1 11.8 72.9 21.1 5 5 A A - 0 0 27 3,-3.1 97,-0.1 -2,-0.5 96,-0.0 -0.451 49.2 -83.5-107.9-169.1 12.7 70.6 23.9 6 6 A E S S+ 0 0 179 -2,-0.2 3,-0.0 1,-0.1 -1,-0.0 0.959 121.2 5.8 -59.0 -56.5 13.0 71.3 27.7 7 7 A R S S+ 0 0 94 91,-0.1 56,-2.1 1,-0.0 2,-0.3 0.452 129.8 37.0-110.9 -6.8 16.5 72.8 27.8 8 8 A L E - B 0 62A 0 54,-0.3 -3,-3.1 56,-0.1 2,-0.3 -0.934 57.3-146.5-145.1 163.3 17.4 72.9 24.1 9 9 A L E -AB 4 61A 33 52,-2.5 52,-3.0 -2,-0.3 2,-0.4 -0.931 11.2-144.0-128.7 157.9 16.2 73.6 20.6 10 10 A I E +AB 3 60A 0 -7,-2.4 -7,-2.2 -2,-0.3 2,-0.3 -0.981 31.1 153.9-120.6 133.4 17.1 72.1 17.2 11 11 A R - 0 0 55 48,-1.7 2,-0.2 -2,-0.4 -9,-0.2 -0.829 46.5 -78.2-143.2 178.7 17.1 74.3 14.1 12 12 A K - 0 0 87 -2,-0.3 46,-0.1 -11,-0.2 40,-0.1 -0.534 58.2 -92.4 -80.8 156.2 18.8 74.5 10.7 13 13 A F - 0 0 3 38,-0.7 2,-0.3 44,-0.4 -1,-0.1 -0.337 28.8-157.7 -66.6 144.0 22.4 75.8 10.5 14 14 A E > - 0 0 105 1,-0.1 3,-2.3 -2,-0.0 4,-0.2 -0.911 33.1-113.2-108.2 152.5 23.4 79.4 9.8 15 15 A F G > S+ 0 0 88 -2,-0.3 3,-2.1 1,-0.3 4,-0.2 0.858 113.6 63.6 -56.0 -38.0 26.8 79.9 8.4 16 16 A K G > S+ 0 0 184 1,-0.3 3,-0.6 2,-0.1 4,-0.4 0.653 85.8 76.1 -67.5 -8.8 28.1 81.7 11.5 17 17 A D G <> S+ 0 0 15 -3,-2.3 4,-1.8 1,-0.2 3,-0.5 0.671 70.9 89.4 -65.3 -17.5 27.5 78.5 13.4 18 18 A W H <> S+ 0 0 31 -3,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.847 80.7 54.4 -56.9 -38.2 30.7 77.0 11.8 19 19 A E H <> S+ 0 0 135 -3,-0.6 4,-1.1 1,-0.2 -1,-0.2 0.913 109.9 46.4 -63.5 -42.1 33.1 78.2 14.5 20 20 A A H 4 S+ 0 0 32 -3,-0.5 4,-0.4 -4,-0.4 -1,-0.2 0.851 114.2 49.1 -67.3 -36.6 31.1 76.6 17.4 21 21 A V H >X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 3,-1.8 0.936 105.0 58.6 -66.5 -42.5 30.9 73.4 15.4 22 22 A H H 3X S+ 0 0 29 -4,-2.9 4,-1.9 1,-0.3 -2,-0.2 0.806 88.3 74.5 -58.7 -28.6 34.6 73.5 14.7 23 23 A E H 3< S+ 0 0 86 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.847 114.8 21.4 -54.1 -34.0 35.3 73.4 18.4 24 24 A Y H X4 S+ 0 0 0 -3,-1.8 3,-1.4 -4,-0.4 -2,-0.2 0.743 116.4 61.9-107.0 -30.3 34.3 69.7 18.4 25 25 A T H 3< S+ 0 0 1 -4,-2.3 14,-2.8 1,-0.3 -3,-0.2 0.724 105.3 52.0 -70.8 -17.7 34.8 68.6 14.7 26 26 A S T 3< S+ 0 0 48 -4,-1.9 2,-0.6 -5,-0.2 -1,-0.3 0.417 89.1 100.4 -86.5 -3.7 38.5 69.5 15.1 27 27 A D <> - 0 0 50 -3,-1.4 4,-2.1 1,-0.1 5,-0.1 -0.758 62.3-155.9 -93.4 122.5 38.7 67.3 18.2 28 28 A S T 4 S+ 0 0 84 -2,-0.6 4,-0.3 1,-0.2 -1,-0.1 0.805 93.8 53.2 -76.6 -25.1 40.2 63.9 17.5 29 29 A D T >4 S+ 0 0 75 2,-0.2 3,-0.8 1,-0.2 4,-0.3 0.921 110.8 48.5 -68.8 -42.1 38.6 62.2 20.5 30 30 A V T 34 S+ 0 0 24 1,-0.2 3,-0.4 -6,-0.2 -2,-0.2 0.902 116.6 41.4 -60.4 -42.7 35.2 63.5 19.3 31 31 A M T >< S+ 0 0 5 -4,-2.1 3,-1.3 1,-0.2 6,-0.4 0.295 79.1 111.9 -97.1 11.2 35.7 62.3 15.7 32 32 A K T < S+ 0 0 115 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.1 0.859 89.6 31.7 -47.4 -46.5 37.3 58.9 16.5 33 33 A Y T 3 S+ 0 0 55 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.329 96.0 102.0 -99.4 5.3 34.3 57.0 15.2 34 34 A I S X S- 0 0 45 -3,-1.3 3,-1.0 1,-0.1 -3,-0.0 -0.781 76.6-130.8 -90.8 129.6 33.3 59.4 12.5 35 35 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.917 103.9 50.6 -48.4 -50.5 34.5 58.2 9.1 36 36 A E T 3 S- 0 0 139 1,-0.1 2,-0.1 -3,-0.1 -4,-0.1 0.797 92.9-155.3 -56.7 -29.2 36.1 61.5 8.1 37 37 A G < + 0 0 22 -3,-1.0 -1,-0.1 -6,-0.4 -5,-0.1 -0.460 57.0 4.7 68.9-159.7 38.1 61.8 11.3 38 38 A V S S- 0 0 65 -2,-0.1 2,-0.3 -12,-0.1 -12,-0.2 -0.154 73.4-134.4 -65.5 140.7 39.1 65.4 12.2 39 39 A F - 0 0 12 -14,-2.8 2,-0.1 -17,-0.1 -1,-0.1 -0.720 8.0-139.4 -88.1 141.0 37.9 68.3 10.2 40 40 A T > - 0 0 78 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.435 39.5 -98.0 -77.9 169.3 40.0 71.2 9.0 41 41 A E H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.908 129.5 51.0 -57.0 -43.4 38.5 74.7 9.2 42 42 A E H > S+ 0 0 121 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.868 107.7 53.9 -60.8 -38.1 37.6 74.4 5.5 43 43 A D H > S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.932 110.0 46.4 -61.3 -48.2 36.0 71.0 6.2 44 44 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.928 112.4 49.3 -62.2 -46.7 33.8 72.5 8.9 45 45 A R H X S+ 0 0 79 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.915 112.7 48.5 -56.3 -43.5 32.8 75.5 6.7 46 46 A N H X S+ 0 0 82 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.924 111.0 51.0 -61.6 -45.6 32.0 73.1 3.9 47 47 A F H X S+ 0 0 33 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.944 112.7 44.7 -58.2 -50.5 29.9 70.9 6.2 48 48 A V H < S+ 0 0 0 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.940 114.6 48.9 -62.7 -46.0 27.9 73.8 7.6 49 49 A N H >< S+ 0 0 102 -4,-2.6 3,-1.4 1,-0.2 4,-0.4 0.914 109.2 52.4 -58.7 -45.8 27.3 75.3 4.1 50 50 A K H >< S+ 0 0 161 -4,-2.7 3,-0.5 1,-0.3 -1,-0.2 0.811 109.2 51.1 -62.1 -30.5 26.2 71.9 2.7 51 51 A N T 3< S+ 0 0 6 -4,-1.5 -38,-0.7 -3,-0.3 -1,-0.3 0.146 86.0 84.2 -98.0 20.1 23.6 71.5 5.5 52 52 A M T < 0 0 69 -3,-1.4 -1,-0.2 -40,-0.1 -2,-0.1 0.714 360.0 360.0 -89.5 -22.4 21.9 74.8 5.1 53 53 A G < 0 0 71 -3,-0.5 -40,-0.1 -4,-0.4 -3,-0.0 0.079 360.0 360.0 -31.7 360.0 19.6 73.7 2.3 54 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 55 56 A A 0 0 42 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 124.7 20.0 69.8 5.3 56 57 A K + 0 0 115 1,-0.2 18,-2.5 19,-0.1 2,-0.3 0.279 360.0 55.5-124.4 0.8 20.9 66.4 6.9 57 58 A N E - C 0 73A 20 16,-0.2 -44,-0.4 -6,-0.2 16,-0.2 -0.990 65.1-167.0-139.1 140.2 22.5 67.8 10.1 58 59 A F E - C 0 72A 14 14,-2.7 14,-2.8 -2,-0.3 -46,-0.2 -0.986 20.2-121.8-140.6 121.6 21.0 70.2 12.6 59 60 A P E - C 0 71A 0 0, 0.0 -48,-1.7 0, 0.0 2,-0.5 -0.313 17.2-139.3 -66.1 150.0 22.6 72.2 15.4 60 61 A V E -BC 10 70A 0 10,-2.8 9,-2.2 -50,-0.2 10,-0.9 -0.945 21.0-164.3-111.9 120.6 21.4 71.8 19.0 61 62 A I E -BC 9 68A 5 -52,-3.0 -52,-2.5 -2,-0.5 2,-0.4 -0.935 19.7-126.7-116.7 125.7 21.2 75.1 20.8 62 63 A L E >> -BC 8 67A 10 5,-3.1 4,-1.5 -2,-0.5 5,-0.6 -0.602 33.4-122.8 -67.7 121.3 21.0 75.5 24.6 63 64 A I T 45S+ 0 0 84 -56,-2.1 2,-1.3 -2,-0.4 -1,-0.1 -0.477 88.6 6.1 -68.4 132.9 18.0 77.7 25.3 64 65 A G T 45S+ 0 0 75 -2,-0.2 -1,-0.2 1,-0.2 -56,-0.1 -0.443 128.0 57.9 93.6 -63.2 18.8 80.8 27.3 65 66 A E T 45S- 0 0 118 -2,-1.3 -2,-0.2 2,-0.1 -1,-0.2 0.748 94.4-149.6 -64.0 -24.1 22.6 80.4 27.3 66 67 A N T <5 + 0 0 126 -4,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.915 41.1 149.2 51.3 51.0 22.2 80.4 23.5 67 68 A I E < -C 62 0A 53 -5,-0.6 -5,-3.1 -47,-0.0 2,-0.7 -0.947 49.6-131.0-117.1 131.8 25.2 78.1 23.1 68 69 A L E +C 61 0A 15 -2,-0.4 -7,-0.2 -7,-0.2 3,-0.1 -0.772 31.5 171.2 -81.3 116.1 25.6 75.5 20.2 69 70 A V E - 0 0 0 -9,-2.2 21,-2.9 -2,-0.7 2,-0.3 0.492 55.3 -44.9-108.7 -8.4 26.6 72.3 22.0 70 71 A G E -CD 60 89A 0 -10,-0.9 -10,-2.8 19,-0.3 2,-0.3 -0.988 56.4 -95.9 170.4-170.9 26.4 69.8 19.1 71 72 A H E -CD 59 88A 7 17,-2.8 17,-2.3 -2,-0.3 2,-0.5 -0.991 16.7-134.3-139.3 152.4 24.4 68.6 16.1 72 73 A I E -CD 58 87A 0 -14,-2.8 -14,-2.7 -2,-0.3 2,-0.5 -0.893 16.0-143.5 -99.4 133.4 21.9 65.9 15.3 73 74 A V E +CD 57 86A 29 13,-2.2 13,-1.9 -2,-0.5 2,-0.3 -0.856 32.0 160.8 -91.9 125.7 22.3 63.9 12.2 74 75 A F E + D 0 85A 6 -18,-2.5 2,-0.3 -2,-0.5 11,-0.2 -0.828 10.7 130.7-154.1 111.9 18.8 63.1 10.6 75 76 A H E - D 0 84A 47 9,-1.9 9,-2.7 -2,-0.3 -19,-0.1 -0.987 57.6 -67.4-156.5 161.2 18.2 62.0 7.0 76 77 A K E + D 0 83A 100 -2,-0.3 7,-0.3 7,-0.2 4,-0.1 -0.235 43.1 167.1 -53.6 138.4 16.5 59.6 4.6 77 78 A Y E S+ 0 0 106 5,-2.7 2,-0.4 2,-0.3 6,-0.2 0.669 71.2 14.9-122.0 -52.5 17.9 56.0 4.9 78 79 A F E >> S- D 0 82A 133 4,-2.1 4,-1.4 1,-0.2 3,-0.7 -0.943 123.5 -50.9-135.3 108.6 15.4 53.7 3.0 79 80 A G T 34 S- 0 0 47 -2,-0.4 -2,-0.3 1,-0.2 -1,-0.2 -0.246 93.8 -58.2 57.2-148.7 12.9 55.6 0.8 80 81 A E T 34 S+ 0 0 145 -4,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.386 131.2 67.4 -99.9 -1.6 11.1 58.4 2.5 81 82 A H T <4 S+ 0 0 81 -3,-0.7 36,-2.3 1,-0.2 37,-1.7 0.645 96.0 51.3 -97.9 -16.7 9.6 56.2 5.2 82 83 A T E < -De 78 118A 3 -4,-1.4 -5,-2.7 35,-0.2 -4,-2.1 -0.993 66.0-175.3-130.3 124.7 12.8 55.2 7.1 83 84 A Y E -De 76 119A 23 35,-1.7 37,-2.6 -2,-0.4 2,-0.4 -0.735 19.1-131.8-115.0 162.5 15.4 57.7 8.4 84 85 A E E -De 75 120A 46 -9,-2.7 -9,-1.9 -2,-0.3 2,-0.3 -0.931 21.1-161.9-114.8 140.6 18.8 57.4 10.1 85 86 A I E +D 74 0A 3 35,-2.5 37,-0.4 -2,-0.4 2,-0.3 -0.913 17.6 152.0-123.0 151.2 19.7 59.4 13.3 86 87 A G E -D 73 0A 15 -13,-1.9 -13,-2.2 -2,-0.3 2,-0.3 -0.904 21.9-144.2-162.9-174.2 23.0 60.3 14.9 87 88 A W E -D 72 0A 31 -15,-0.3 2,-0.3 -2,-0.3 -15,-0.2 -0.982 10.1-170.4-166.1 140.5 24.7 62.9 17.0 88 89 A V E -D 71 0A 18 -17,-2.3 -17,-2.8 -2,-0.3 2,-0.3 -0.962 23.0-178.1-142.0 123.8 28.0 64.7 17.5 89 90 A F E -D 70 0A 12 -2,-0.3 -19,-0.3 -19,-0.3 5,-0.1 -0.791 33.6-100.0-127.5 159.0 28.5 66.9 20.6 90 91 A N > - 0 0 4 -21,-2.9 3,-2.7 -2,-0.3 4,-0.2 -0.714 29.9-134.6 -77.6 123.5 31.0 69.2 22.2 91 92 A P G > S+ 0 0 46 0, 0.0 3,-1.2 0, 0.0 141,-0.2 0.718 101.3 72.0 -55.7 -25.3 32.8 67.3 25.1 92 93 A K G 3 S+ 0 0 137 1,-0.2 -23,-0.0 139,-0.1 -2,-0.0 0.753 106.0 39.5 -57.1 -23.7 32.4 70.4 27.3 93 94 A Y G X S+ 0 0 49 -3,-2.7 3,-0.6 -24,-0.2 5,-0.4 0.252 87.7 129.8-116.1 14.0 28.7 69.4 27.4 94 95 A F T < + 0 0 93 -3,-1.2 -4,-0.0 1,-0.2 0, 0.0 -0.209 63.3 23.6 -65.0 155.5 28.9 65.6 27.7 95 96 A N T 3 S+ 0 0 75 1,-0.1 -1,-0.2 34,-0.0 77,-0.0 0.748 89.2 102.2 62.6 29.8 27.0 63.5 30.2 96 97 A K S < S- 0 0 107 -3,-0.6 -2,-0.1 0, 0.0 -1,-0.1 0.305 97.9-105.1-114.4 2.9 24.3 66.1 30.9 97 98 A G S > S+ 0 0 31 -4,-0.1 4,-2.4 3,-0.0 5,-0.2 0.575 81.8 127.8 87.7 8.9 21.6 64.4 28.8 98 99 A Y H > S+ 0 0 26 -5,-0.4 4,-2.8 2,-0.2 5,-0.2 0.915 71.5 47.8 -67.3 -46.7 21.7 66.8 25.9 99 100 A A H > S+ 0 0 21 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.940 115.5 45.8 -60.8 -46.1 22.2 64.2 23.2 100 101 A S H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.912 113.3 49.3 -65.9 -39.3 19.4 62.0 24.5 101 102 A E H X S+ 0 0 21 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.934 115.5 43.6 -62.7 -45.7 17.1 65.0 25.0 102 103 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.901 115.8 47.4 -66.6 -41.8 17.8 66.2 21.4 103 104 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.892 110.2 52.4 -71.3 -38.3 17.5 62.8 19.9 104 105 A Q H X S+ 0 0 91 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.934 110.7 48.6 -58.3 -47.6 14.3 62.0 21.8 105 106 A A H X S+ 0 0 12 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.853 109.8 52.1 -60.9 -38.5 12.8 65.2 20.4 106 107 A T H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.927 107.9 50.6 -65.8 -45.3 13.9 64.4 16.9 107 108 A L H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.926 110.4 50.9 -55.7 -46.7 12.3 60.9 17.0 108 109 A K H X>S+ 0 0 102 -4,-2.2 4,-2.9 1,-0.2 5,-0.6 0.922 111.8 46.3 -58.8 -46.7 9.1 62.6 18.2 109 110 A Y H X>S+ 0 0 69 -4,-2.1 5,-2.0 3,-0.2 4,-1.4 0.929 112.3 51.8 -59.1 -47.4 9.2 65.1 15.3 110 111 A G H <5S+ 0 0 0 -4,-3.0 6,-2.3 3,-0.2 -2,-0.2 0.911 120.0 32.7 -57.1 -45.3 10.0 62.3 12.8 111 112 A F H <5S+ 0 0 37 -4,-2.6 -2,-0.2 4,-0.2 -1,-0.2 0.904 127.5 35.1 -82.8 -43.8 7.1 60.1 13.9 112 113 A K H <5S+ 0 0 134 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.928 132.9 22.2 -79.8 -46.3 4.4 62.7 14.9 113 114 A E T < - 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