==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-OCT-06 2J8M . COMPND 2 MOLECULE: ACETYLTRANSFERASE PA4866 FROM P. AERUGINOSA; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.M.DAVIES,R.TATA,R.L.BEAVIL,B.J.SUTTON,P.R.BROWN . 341 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 23.5 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 17 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 0 0 1 1 0 0 0 0 4 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 . 1 0 0 2 2 0 4 2 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 0 0 0 0 0 0 1 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 2 A S 0 0 154 0, 0.0 59,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 136.6 28.4 3.8 23.2 2 3 A A - 0 0 13 57,-0.1 2,-0.3 58,-0.1 57,-0.2 -0.974 360.0-144.0-136.3 149.3 25.1 2.0 24.2 3 4 A S E -A 58 0A 79 55,-2.6 55,-2.6 -2,-0.3 2,-0.5 -0.818 20.2-130.8-108.0 147.7 21.6 1.7 22.8 4 5 A I E +A 57 0A 47 -2,-0.3 2,-0.3 53,-0.2 53,-0.2 -0.867 41.8 144.2-101.2 128.3 18.5 1.5 25.0 5 6 A R E -A 56 0A 91 51,-2.1 51,-2.8 -2,-0.5 2,-0.1 -0.954 52.3 -74.8-153.8 170.6 16.0 -1.3 24.4 6 7 A D E -A 55 0A 78 -2,-0.3 49,-0.2 49,-0.2 2,-0.1 -0.440 53.9-110.5 -72.0 144.2 13.6 -3.7 26.1 7 8 A A - 0 0 14 47,-2.7 2,-0.3 -2,-0.1 47,-0.1 -0.456 31.9-162.2 -75.8 148.6 15.2 -6.6 27.9 8 9 A G > - 0 0 27 -2,-0.1 3,-1.9 1,-0.0 4,-0.5 -0.747 38.5 -94.7-122.6 170.4 14.9 -10.1 26.5 9 10 A V G > S+ 0 0 80 1,-0.3 3,-1.6 -2,-0.3 -2,-0.0 0.861 123.1 61.4 -56.8 -35.8 15.4 -13.5 28.2 10 11 A A G 3 S+ 0 0 95 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.649 97.5 60.3 -66.6 -14.4 19.0 -13.6 26.9 11 12 A D G <> S+ 0 0 14 -3,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.598 81.2 87.1 -85.7 -14.2 19.7 -10.4 28.9 12 13 A L H <> S+ 0 0 1 -3,-1.6 4,-3.3 -4,-0.5 5,-0.2 0.857 82.2 54.3 -57.7 -40.3 18.9 -12.1 32.2 13 14 A P H > S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.928 113.0 45.0 -61.2 -39.9 22.4 -13.5 32.9 14 15 A G H > S+ 0 0 27 -4,-0.3 4,-1.9 -3,-0.2 -2,-0.2 0.918 114.2 47.8 -67.9 -41.9 23.8 -10.1 32.4 15 16 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.899 109.0 55.3 -64.8 -40.8 21.2 -8.4 34.5 16 17 A L H X S+ 0 0 27 -4,-3.3 4,-3.0 1,-0.2 5,-0.2 0.906 106.3 50.9 -58.6 -44.7 21.7 -11.0 37.2 17 18 A A H X S+ 0 0 48 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.937 112.2 45.4 -59.5 -49.6 25.4 -10.2 37.4 18 19 A I H X S+ 0 0 9 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.935 113.6 51.2 -59.4 -46.9 24.8 -6.5 37.8 19 20 A Y H X S+ 0 0 18 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.951 112.7 44.2 -55.3 -54.4 22.0 -7.2 40.4 20 21 A N H X S+ 0 0 39 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.795 109.7 55.7 -64.7 -29.1 24.2 -9.5 42.5 21 22 A D H X S+ 0 0 68 -4,-2.2 4,-3.0 -5,-0.2 5,-0.3 0.928 109.6 47.1 -68.5 -41.0 27.2 -7.1 42.3 22 23 A A H X S+ 0 0 10 -4,-2.3 4,-1.8 1,-0.2 7,-0.5 0.885 110.4 53.6 -64.5 -39.2 25.0 -4.3 43.7 23 24 A V H < S+ 0 0 3 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.908 118.5 33.9 -63.2 -41.0 23.8 -6.7 46.4 24 25 A G H < S+ 0 0 42 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.827 130.1 28.2 -86.5 -30.5 27.3 -7.6 47.5 25 26 A N H < S+ 0 0 128 -4,-3.0 2,-0.2 -5,-0.2 -3,-0.2 0.487 112.3 44.4-112.1 -4.2 29.2 -4.3 46.9 26 27 A T < - 0 0 53 -4,-1.8 3,-0.3 -5,-0.3 0, 0.0 -0.775 66.9-123.2-135.6 178.7 26.7 -1.4 47.3 27 28 A T S S+ 0 0 16 -2,-0.2 96,-0.2 1,-0.2 3,-0.1 0.111 85.3 101.3-104.7 17.9 23.9 0.2 49.3 28 29 A A S S+ 0 0 53 -6,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.775 86.6 36.3 -73.5 -28.1 21.8 0.2 46.1 29 30 A I S S- 0 0 7 -7,-0.5 2,-1.4 -3,-0.3 -1,-0.2 -0.998 78.1-142.5-126.4 126.8 19.8 -2.8 47.2 30 31 A W S S+ 0 0 15 -2,-0.4 219,-2.6 -3,-0.1 2,-0.3 -0.348 73.7 90.2 -91.1 57.5 19.0 -3.3 50.9 31 32 A N - 0 0 21 -2,-1.4 -2,-0.2 217,-0.2 -3,-0.0 -0.950 56.5-161.5-142.0 149.3 19.5 -7.0 50.8 32 33 A E + 0 0 88 -2,-0.3 -2,-0.0 2,-0.1 118,-0.0 0.132 67.5 96.6-119.2 15.6 22.7 -9.0 51.4 33 34 A T - 0 0 60 0, 0.0 215,-0.1 0, 0.0 -9,-0.0 -0.914 67.1-142.0-112.8 114.8 21.4 -12.1 49.7 34 35 A P - 0 0 82 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.317 18.5-141.6 -69.2 155.6 22.3 -12.8 46.1 35 36 A V - 0 0 30 -19,-0.2 2,-0.2 1,-0.0 -15,-0.1 -0.633 7.9-122.1-112.7 173.4 19.6 -14.3 43.8 36 37 A D >> - 0 0 99 -2,-0.2 4,-1.6 1,-0.1 3,-0.5 -0.597 33.4 -96.2-111.4 175.5 19.7 -16.9 41.0 37 38 A L H 3> S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.875 121.7 58.5 -58.2 -39.4 18.7 -16.8 37.4 38 39 A A H 3> S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.871 103.2 54.9 -59.1 -36.3 15.3 -18.3 38.1 39 40 A N H <> S+ 0 0 61 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.941 110.4 43.8 -62.7 -47.7 14.6 -15.4 40.5 40 41 A R H X S+ 0 0 23 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.815 110.7 55.6 -68.9 -28.9 15.3 -12.9 37.7 41 42 A Q H X S+ 0 0 61 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.905 109.0 47.3 -67.6 -42.1 13.2 -14.9 35.2 42 43 A A H X S+ 0 0 57 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.907 113.3 48.4 -63.7 -43.2 10.3 -14.8 37.5 43 44 A W H X S+ 0 0 33 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.888 109.0 54.8 -62.6 -41.1 10.8 -11.1 38.0 44 45 A F H X S+ 0 0 37 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.931 112.8 41.3 -58.3 -49.4 11.1 -10.7 34.2 45 46 A D H X S+ 0 0 66 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.880 111.6 55.5 -69.5 -37.7 7.7 -12.3 33.7 46 47 A A H X S+ 0 0 30 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.885 107.3 50.6 -62.1 -39.5 6.0 -10.6 36.6 47 48 A R H X>S+ 0 0 52 -4,-2.2 5,-2.7 1,-0.2 4,-0.7 0.935 109.2 50.6 -63.8 -45.9 7.0 -7.2 35.2 48 49 A A H ><5S+ 0 0 66 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.918 105.2 57.1 -59.3 -44.6 5.6 -8.0 31.8 49 50 A R H 3<5S+ 0 0 195 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.834 110.6 43.9 -58.1 -32.7 2.3 -9.1 33.3 50 51 A Q H 3<5S- 0 0 79 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.525 115.4-114.9 -89.2 -5.6 1.9 -5.7 34.9 51 52 A G T <<5 + 0 0 45 -3,-1.4 -3,-0.2 -4,-0.7 -2,-0.1 0.697 68.2 144.3 80.1 18.3 3.0 -3.9 31.8 52 53 A Y < - 0 0 21 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.784 44.6-128.2 -93.3 132.3 6.1 -2.6 33.5 53 54 A P - 0 0 13 0, 0.0 17,-0.8 0, 0.0 2,-0.4 -0.382 12.6-157.4 -81.3 157.1 9.2 -2.3 31.3 54 55 A I E - B 0 69A 12 15,-0.2 -47,-2.7 -47,-0.1 2,-0.3 -0.977 21.7-167.2-129.8 112.3 12.7 -3.6 31.9 55 56 A L E -AB 6 68A 0 13,-3.1 13,-2.4 -2,-0.4 2,-0.3 -0.818 5.9-164.5-107.8 146.4 15.2 -1.6 29.9 56 57 A V E -AB 5 67A 0 -51,-2.8 -51,-2.1 -2,-0.3 2,-0.7 -0.944 18.5-139.8-127.9 149.0 18.8 -2.4 29.1 57 58 A A E -AB 4 66A 0 9,-2.3 8,-3.2 -2,-0.3 9,-0.7 -0.948 35.5-176.2-104.2 112.6 21.7 -0.4 27.8 58 59 A S E -AB 3 64A 10 -55,-2.6 -55,-2.6 -2,-0.7 6,-0.2 -0.871 13.9-148.5-117.2 148.9 23.6 -2.7 25.4 59 60 A D > - 0 0 42 4,-1.3 3,-2.3 -2,-0.3 -57,-0.1 -0.362 44.7 -77.9-102.0-175.3 26.8 -2.3 23.4 60 61 A A T 3 S+ 0 0 115 -59,-0.4 -58,-0.1 1,-0.3 -2,-0.0 0.845 131.1 53.1 -51.4 -40.1 27.9 -3.7 20.1 61 62 A A T 3 S- 0 0 77 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.586 117.1-114.8 -72.9 -10.7 28.7 -7.0 21.6 62 63 A G < + 0 0 39 -3,-2.3 -2,-0.1 1,-0.3 2,-0.1 0.585 63.0 155.0 85.5 11.0 25.2 -7.1 23.0 63 64 A E - 0 0 95 1,-0.1 -4,-1.3 2,-0.0 2,-0.8 -0.463 50.5-116.2 -73.1 144.0 26.5 -7.0 26.6 64 65 A V E +B 58 0A 8 -6,-0.2 -6,-0.2 1,-0.2 3,-0.1 -0.738 35.5 174.5 -82.5 109.2 24.2 -5.6 29.3 65 66 A L E - 0 0 4 -8,-3.2 25,-3.2 -2,-0.8 2,-0.3 0.538 67.2 -23.8 -92.0 -10.1 26.0 -2.4 30.5 66 67 A G E -BC 57 89A 0 -9,-0.7 -9,-2.3 23,-0.3 -1,-0.3 -0.924 59.5-151.1 174.5 164.2 23.1 -1.4 32.7 67 68 A Y E -BC 56 88A 3 21,-2.6 21,-3.2 -2,-0.3 2,-0.3 -0.985 4.8-167.8-151.6 160.5 19.4 -1.9 33.2 68 69 A A E +BC 55 87A 0 -13,-2.4 -13,-3.1 -2,-0.3 2,-0.3 -0.985 13.7 153.5-148.5 155.9 16.3 -0.1 34.7 69 70 A S E -BC 54 86A 5 17,-2.1 17,-2.8 -2,-0.3 2,-0.3 -0.968 21.2-145.0-168.4 172.7 12.8 -0.9 35.6 70 71 A Y E + C 0 85A 1 -17,-0.8 15,-0.3 -2,-0.3 2,-0.2 -0.979 17.5 165.2-149.5 158.7 9.9 0.1 37.8 71 72 A G E - C 0 84A 2 13,-2.1 13,-2.7 -2,-0.3 -24,-0.0 -0.832 50.6 -30.9-155.1-169.7 7.1 -1.6 39.6 72 73 A D E - C 0 83A 85 -2,-0.2 11,-0.2 11,-0.2 -1,-0.1 -0.180 41.2-163.3 -55.2 144.0 4.5 -1.0 42.4 73 74 A W S S+ 0 0 21 9,-0.8 -1,-0.1 1,-0.4 10,-0.1 0.880 77.7 11.3 -92.8 -56.8 5.5 1.4 45.1 74 75 A R S S- 0 0 24 8,-0.3 2,-2.3 2,-0.2 -1,-0.4 -0.988 80.4-118.2-127.4 135.6 2.9 0.6 47.7 75 76 A P S S+ 0 0 106 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.294 78.4 95.4 -68.9 56.5 0.6 -2.5 47.6 76 77 A F S > S- 0 0 76 -2,-2.3 3,-1.9 1,-0.1 -2,-0.2 -0.993 78.5-121.7-146.0 146.9 -2.8 -0.7 47.5 77 78 A E G > S+ 0 0 66 -2,-0.3 3,-1.8 1,-0.3 125,-0.2 0.783 107.3 71.6 -60.7 -26.1 -5.1 0.4 44.6 78 79 A G G 3 S+ 0 0 1 123,-2.7 242,-0.8 1,-0.3 3,-0.3 0.728 97.4 50.8 -62.0 -21.1 -4.8 4.0 45.7 79 80 A F G X S+ 0 0 8 -3,-1.9 3,-2.5 122,-0.3 -6,-0.3 0.224 70.6 114.8-101.6 15.0 -1.2 4.0 44.5 80 81 A R T < S+ 0 0 126 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.690 75.4 56.2 -60.6 -15.1 -1.9 2.6 41.0 81 82 A G T 3 S+ 0 0 9 -3,-0.3 36,-2.4 237,-0.2 35,-2.4 0.457 101.1 73.7 -93.1 -0.5 -0.7 6.0 39.5 82 83 A T E < - d 0 117A 2 -3,-2.5 -9,-0.8 34,-0.2 2,-0.3 -0.933 57.4-179.7-119.4 135.0 2.6 5.7 41.3 83 84 A V E -Cd 72 118A 0 34,-2.3 36,-2.9 -2,-0.4 2,-0.5 -0.956 21.9-137.0-129.6 150.7 5.6 3.5 40.6 84 85 A E E -Cd 71 119A 30 -13,-2.7 -13,-2.1 -2,-0.3 2,-0.2 -0.929 28.5-164.0-105.9 125.4 9.0 3.0 42.2 85 86 A H E -C 70 0A 6 34,-1.7 36,-0.5 -2,-0.5 2,-0.3 -0.668 10.4-160.7-110.8 166.3 11.9 2.7 39.8 86 87 A S E -C 69 0A 40 -17,-2.8 -17,-2.1 -2,-0.2 2,-0.4 -0.991 1.1-163.7-144.6 144.4 15.5 1.5 39.9 87 88 A V E -C 68 0A 37 -2,-0.3 2,-0.4 -19,-0.2 -19,-0.2 -0.999 6.4-174.3-132.6 129.6 18.5 2.1 37.7 88 89 A Y E -C 67 0A 37 -21,-3.2 -21,-2.6 -2,-0.4 2,-0.4 -0.978 3.8-168.2-130.4 120.9 21.7 -0.1 37.7 89 90 A V E -C 66 0A 43 -2,-0.4 -23,-0.3 -23,-0.2 5,-0.1 -0.855 36.2-102.0-104.5 140.5 24.8 0.7 35.7 90 91 A R > - 0 0 48 -25,-3.2 3,-2.5 -2,-0.4 4,-0.1 -0.335 32.9-114.8 -61.9 143.6 27.6 -1.9 35.5 91 92 A D T 3 S+ 0 0 87 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.713 115.2 47.1 -50.8 -28.3 30.5 -1.2 37.8 92 93 A D T 3 S+ 0 0 80 1,-0.2 -1,-0.3 -27,-0.0 -2,-0.1 0.434 102.3 66.0 -96.4 0.5 32.9 -0.7 34.9 93 94 A Q X + 0 0 25 -3,-2.5 3,-0.9 -28,-0.2 5,-0.5 0.080 69.3 130.2-109.2 22.7 30.5 1.6 32.9 94 95 A R T 3 + 0 0 189 -3,-0.4 -3,-0.0 1,-0.2 -4,-0.0 -0.528 64.2 30.1 -81.6 144.0 30.4 4.6 35.3 95 96 A G T 3 S+ 0 0 87 -2,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.532 92.6 100.8 88.5 8.1 31.0 8.1 34.0 96 97 A K S < S- 0 0 121 -3,-0.9 -2,-0.1 -95,-0.0 -3,-0.0 0.154 94.3-114.3-109.9 15.7 29.6 7.1 30.6 97 98 A G S > S+ 0 0 41 1,-0.1 4,-2.0 3,-0.1 5,-0.1 0.660 73.9 133.3 61.4 21.4 26.1 8.7 31.1 98 99 A L H > + 0 0 7 -5,-0.5 4,-2.6 1,-0.2 5,-0.2 0.823 67.5 57.9 -71.3 -31.2 24.3 5.4 31.0 99 100 A G H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.911 108.5 45.8 -63.6 -43.1 22.3 6.2 34.1 100 101 A V H > S+ 0 0 47 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.935 111.9 51.7 -64.1 -49.1 20.9 9.3 32.4 101 102 A Q H X S+ 0 0 67 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.943 114.2 43.5 -53.5 -51.8 20.2 7.4 29.2 102 103 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.912 114.8 47.0 -62.7 -47.0 18.3 4.7 31.1 103 104 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.933 111.5 51.2 -64.8 -42.7 16.3 7.0 33.4 104 105 A Q H X S+ 0 0 94 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.910 113.1 46.2 -60.0 -40.5 15.3 9.3 30.6 105 106 A A H X S+ 0 0 16 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.888 112.3 50.6 -67.9 -39.4 14.0 6.3 28.6 106 107 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.887 107.4 54.0 -65.9 -40.1 12.3 4.9 31.7 107 108 A I H X S+ 0 0 13 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.907 107.3 50.6 -61.1 -42.3 10.5 8.3 32.2 108 109 A E H X S+ 0 0 130 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.914 111.2 48.7 -62.8 -41.4 9.2 8.3 28.7 109 110 A R H X S+ 0 0 92 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.941 111.4 49.2 -62.7 -47.5 7.8 4.8 29.2 110 111 A A H <>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 4,-0.3 0.898 113.0 46.7 -59.8 -44.0 6.2 5.6 32.5 111 112 A R H ><5S+ 0 0 118 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.922 111.3 51.1 -65.6 -44.5 4.5 8.7 31.0 112 113 A A H 3<5S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.810 104.0 59.4 -62.2 -29.9 3.4 6.9 27.9 113 114 A Q T 3<5S- 0 0 75 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.564 118.9-113.1 -75.9 -7.8 1.8 4.2 30.2 114 115 A G T < 5 + 0 0 65 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.750 62.4 154.5 83.0 24.3 -0.3 6.9 31.8 115 116 A L < - 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