==== 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 28-JUL-09 3IGR . COMPND 2 MOLECULE: RIBOSOMAL-PROTEIN-S5-ALANINE N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO FISCHERI; . AUTHOR A.J.STEIN,A.SATHER,G.SHACKELFORD,A.JOACHIMIAK,MIDWEST CENTER . 366 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19809.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 25.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 19 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 2 0 0 0 0 2 2 0 0 0 0 2 2 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 0 0 2 2 2 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 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 2 A D 0 0 179 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-160.6 13.9 -2.5 16.6 2 3 A V + 0 0 24 2,-0.0 11,-1.0 1,-0.0 2,-0.4 -0.431 360.0 175.5 -68.3 133.9 13.7 1.3 16.6 3 4 A S E -A 12 0A 57 9,-0.2 2,-0.4 -2,-0.2 9,-0.2 -0.989 17.8-171.8-150.0 130.5 17.0 3.0 16.2 4 5 A F E -A 11 0A 44 7,-3.5 7,-3.4 -2,-0.4 2,-0.4 -0.984 9.3-169.2-123.8 137.6 18.3 6.6 15.8 5 6 A E E +A 10 0A 120 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.962 13.6 159.9-126.0 140.4 21.9 7.6 14.9 6 7 A F E > -A 9 0A 17 3,-1.8 3,-2.8 -2,-0.4 254,-0.1 -0.937 65.6 -28.9-153.8 143.3 23.6 10.9 14.9 7 8 A E T 3 S- 0 0 100 -2,-0.3 252,-0.0 1,-0.3 253,-0.0 -0.259 126.5 -28.4 48.0-127.3 27.3 11.7 15.1 8 9 A H T 3 S+ 0 0 64 -3,-0.1 66,-2.6 2,-0.0 67,-0.7 0.033 120.9 96.6-101.8 27.2 29.0 8.8 17.0 9 10 A Y E < -AB 6 73A 13 -3,-2.8 -3,-1.8 64,-0.2 2,-0.4 -0.812 52.4-161.9-117.0 153.0 25.8 8.0 19.0 10 11 A Q E -AB 5 72A 41 62,-1.8 62,-3.1 -2,-0.3 2,-0.5 -0.998 3.9-160.7-133.6 130.6 22.9 5.6 18.7 11 12 A V E +AB 4 71A 0 -7,-3.4 -7,-3.5 -2,-0.4 2,-0.3 -0.963 33.9 143.0-109.1 123.3 19.5 5.9 20.5 12 13 A R E -AB 3 70A 38 58,-1.8 58,-2.6 -2,-0.5 -9,-0.2 -0.936 54.7 -75.9-152.3 167.0 17.7 2.6 20.6 13 14 A L E - B 0 69A 8 -11,-1.0 56,-0.2 -2,-0.3 2,-0.1 -0.481 55.1-107.1 -69.7 141.8 15.5 0.5 22.8 14 15 A I - 0 0 3 54,-2.5 2,-0.3 -2,-0.1 54,-0.1 -0.377 39.5-158.5 -67.2 149.0 17.3 -1.2 25.7 15 16 A K > - 0 0 104 1,-0.1 3,-2.0 -2,-0.1 40,-0.1 -0.857 33.1-103.2-128.6 163.2 17.8 -5.0 25.4 16 17 A S G > S+ 0 0 63 -2,-0.3 3,-1.5 1,-0.3 38,-0.1 0.885 118.8 61.7 -48.7 -43.7 18.4 -8.0 27.6 17 18 A S G 3 S+ 0 0 100 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.608 90.0 71.3 -62.7 -14.1 22.1 -8.0 26.5 18 19 A D G <> + 0 0 9 -3,-2.0 4,-2.9 1,-0.2 5,-0.4 0.319 63.0 110.7 -81.9 5.8 22.5 -4.5 28.0 19 20 A A H <> S+ 0 0 17 -3,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.871 82.5 37.6 -53.4 -45.8 22.3 -5.7 31.7 20 21 A V H > S+ 0 0 82 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.926 117.6 48.8 -73.1 -47.2 26.0 -5.0 32.5 21 22 A T H > S+ 0 0 35 -4,-0.3 4,-1.9 2,-0.2 58,-0.2 0.870 111.6 47.7 -67.7 -39.1 26.3 -1.8 30.6 22 23 A I H X S+ 0 0 0 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.905 112.9 50.8 -65.3 -39.5 23.2 -0.1 31.9 23 24 A A H X S+ 0 0 0 -4,-1.3 4,-2.6 -5,-0.4 5,-0.2 0.947 109.6 49.9 -59.0 -51.2 24.3 -1.1 35.4 24 25 A N H X S+ 0 0 66 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.866 107.4 56.4 -54.7 -40.6 27.7 0.4 34.9 25 26 A Y H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.901 112.0 38.9 -61.2 -45.5 26.1 3.6 33.7 26 27 A F H < S+ 0 0 7 -4,-1.8 4,-0.5 -3,-0.2 -1,-0.2 0.868 116.7 51.0 -76.8 -31.8 24.0 4.2 36.8 27 28 A X H >< S+ 0 0 93 -4,-2.6 3,-0.5 -5,-0.2 4,-0.2 0.885 110.6 50.6 -69.8 -35.8 26.9 3.0 39.0 28 29 A R H 3< S+ 0 0 115 -4,-2.7 3,-0.3 -5,-0.2 -2,-0.2 0.881 118.9 36.3 -65.2 -41.6 29.2 5.4 37.2 29 30 A N T 3X S+ 0 0 2 -4,-1.8 4,-1.8 1,-0.2 5,-0.2 0.251 80.5 118.3-100.8 12.8 26.8 8.4 37.6 30 31 A R H <> S+ 0 0 38 -3,-0.5 4,-1.7 -4,-0.5 -1,-0.2 0.848 81.5 39.5 -40.7 -53.1 25.5 7.4 41.2 31 32 A H H 4 S+ 0 0 172 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.891 112.3 52.9 -73.5 -45.1 26.8 10.7 42.8 32 33 A H H 4 S+ 0 0 43 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.779 117.9 41.5 -57.3 -28.6 26.0 13.1 40.0 33 34 A L H >X S+ 0 0 25 -4,-1.8 4,-1.7 -7,-0.2 3,-1.7 0.760 91.1 82.5 -94.6 -29.5 22.4 11.8 40.1 34 35 A A T 3< S+ 0 0 50 -4,-1.7 131,-0.2 1,-0.3 3,-0.2 0.839 93.8 47.2 -46.9 -46.9 21.7 11.4 43.9 35 36 A P T 34 S+ 0 0 52 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.711 119.9 41.5 -68.3 -17.4 20.8 15.1 44.5 36 37 A W T <4 S+ 0 0 96 -3,-1.7 -2,-0.2 -4,-0.1 101,-0.1 0.646 112.4 44.2-106.0 -18.9 18.5 15.0 41.4 37 38 A E S < S- 0 0 40 -4,-1.7 128,-0.4 -3,-0.2 3,-0.1 -0.848 90.0 -81.8-131.5 159.5 16.6 11.7 41.5 38 39 A P - 0 0 48 0, 0.0 126,-0.2 0, 0.0 -2,-0.1 -0.247 61.5 -83.8 -59.5 149.6 14.8 9.5 44.1 39 40 A K - 0 0 201 124,-0.3 2,-0.4 1,-0.1 124,-0.0 -0.256 50.2-145.6 -44.8 134.0 16.9 7.2 46.3 40 41 A R - 0 0 84 -3,-0.1 -1,-0.1 1,-0.1 5,-0.0 -0.864 9.1-117.9-110.1 146.9 17.7 4.0 44.5 41 42 A S > - 0 0 75 -2,-0.4 3,-0.6 1,-0.1 4,-0.2 -0.222 32.7-106.1 -66.3 167.6 18.0 0.5 45.9 42 43 A H G > S+ 0 0 158 1,-0.2 3,-2.3 2,-0.2 4,-0.2 0.900 117.4 63.7 -62.1 -42.6 21.3 -1.5 45.7 43 44 A A G > S+ 0 0 48 1,-0.3 3,-1.3 2,-0.2 6,-0.3 0.738 88.3 72.0 -56.8 -26.4 19.9 -3.8 43.0 44 45 A F G < S+ 0 0 13 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.705 99.5 45.6 -58.6 -24.3 19.6 -0.7 40.7 45 46 A F G < S+ 0 0 55 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.315 100.3 82.1-109.5 8.2 23.4 -0.6 40.4 46 47 A T S <> S- 0 0 24 -3,-1.3 4,-1.4 -4,-0.2 3,-0.2 -0.869 76.1-129.4-112.6 147.8 24.0 -4.3 39.7 47 48 A P H > S+ 0 0 37 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.861 109.9 56.5 -59.0 -38.1 23.8 -6.4 36.4 48 49 A E H > S+ 0 0 139 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.878 104.1 52.9 -62.8 -37.5 21.6 -9.0 38.2 49 50 A G H > S+ 0 0 20 -6,-0.3 4,-1.9 -3,-0.2 -1,-0.2 0.873 111.2 47.0 -64.0 -37.9 19.1 -6.3 39.3 50 51 A W H X S+ 0 0 1 -4,-1.4 4,-4.0 2,-0.2 5,-0.3 0.862 99.2 66.4 -74.7 -35.1 18.8 -5.2 35.6 51 52 A K H X S+ 0 0 38 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.937 110.6 38.8 -45.0 -52.9 18.4 -8.7 34.2 52 53 A Q H X S+ 0 0 126 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.939 115.4 51.2 -64.1 -52.0 15.1 -8.9 36.1 53 54 A R H X S+ 0 0 123 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.876 110.2 51.5 -52.7 -42.0 14.2 -5.3 35.3 54 55 A L H X S+ 0 0 0 -4,-4.0 4,-3.4 2,-0.2 5,-0.3 0.860 102.7 57.8 -68.9 -35.6 14.9 -5.9 31.6 55 56 A L H X S+ 0 0 93 -4,-1.7 4,-1.0 -5,-0.3 -1,-0.2 0.888 111.1 44.3 -60.6 -37.6 12.7 -9.0 31.6 56 57 A Q H X S+ 0 0 137 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.915 115.7 46.6 -70.1 -44.8 9.8 -6.7 32.7 57 58 A L H X S+ 0 0 24 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.919 107.4 55.1 -64.1 -47.9 10.8 -3.9 30.2 58 59 A V H X S+ 0 0 60 -4,-3.4 4,-1.5 1,-0.2 -1,-0.2 0.871 110.4 49.9 -50.7 -36.9 11.1 -6.3 27.3 59 60 A E H X S+ 0 0 133 -4,-1.0 4,-1.3 -5,-0.3 -2,-0.2 0.899 108.7 49.3 -72.0 -42.2 7.6 -7.4 28.1 60 61 A L H <>S+ 0 0 64 -4,-1.9 5,-3.0 1,-0.2 6,-0.7 0.887 108.3 55.1 -64.7 -38.3 6.3 -3.8 28.3 61 62 A H H ><5S+ 0 0 26 -4,-2.9 3,-1.6 3,-0.2 -1,-0.2 0.896 102.9 57.4 -57.7 -41.5 7.9 -3.1 24.9 62 63 A K H 3<5S+ 0 0 71 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.862 113.1 37.4 -61.6 -40.5 6.0 -6.1 23.4 63 64 A H T 3<5S- 0 0 62 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.088 113.7-114.3 -98.8 20.9 2.6 -4.7 24.3 64 65 A N T < 5S+ 0 0 71 -3,-1.6 -3,-0.2 2,-0.1 -2,-0.1 0.798 79.9 127.2 50.1 37.4 3.6 -1.1 23.6 65 66 A L S > -BC 9 78A 3 5,-2.8 4,-1.4 -2,-0.5 5,-1.2 -0.840 17.2-165.0 -81.8 108.1 28.5 6.0 22.5 74 75 A K T 45S+ 0 0 69 -66,-2.6 -1,-0.2 -2,-0.9 -65,-0.1 0.814 84.1 58.2 -67.1 -31.0 29.5 3.8 19.6 75 76 A N T 45S+ 0 0 117 -67,-0.7 -1,-0.2 1,-0.2 -66,-0.1 0.848 120.7 25.9 -66.1 -36.1 33.1 4.8 19.8 76 77 A E T 45S- 0 0 134 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.461 99.0-130.2-108.7 -2.3 33.4 3.7 23.4 77 78 A H T <5 + 0 0 163 -4,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.886 65.1 126.8 53.7 44.5 30.7 1.0 23.4 78 79 A K E < -C 73 0A 22 -5,-1.2 -5,-2.8 -54,-0.0 2,-0.4 -0.967 66.2-116.5-131.6 144.8 29.2 2.5 26.6 79 80 A I E +C 72 0A 1 -2,-0.4 -7,-0.2 -7,-0.2 3,-0.1 -0.696 34.2 171.4 -75.1 131.8 25.7 3.6 27.5 80 81 A I E + 0 0 0 -9,-3.0 23,-2.9 -2,-0.4 2,-0.3 0.216 58.0 8.8-128.1 10.3 25.9 7.4 28.3 81 82 A G E -CD 71 102A 0 -10,-0.8 -10,-2.6 21,-0.3 2,-0.3 -0.970 55.3-144.9-179.2 166.0 22.2 8.3 28.6 82 83 A T E -CD 70 101A 6 19,-2.1 19,-1.8 -2,-0.3 2,-0.4 -0.978 3.5-167.4-143.1 150.3 18.6 7.1 28.9 83 84 A V E -CD 69 100A 0 -14,-2.3 -14,-3.1 -2,-0.3 2,-0.5 -0.927 19.4-168.9-139.0 115.3 15.2 8.4 27.7 84 85 A S E -CD 68 99A 27 15,-3.6 15,-2.0 -2,-0.4 2,-0.6 -0.935 13.6-164.4-117.2 122.1 12.4 6.6 29.4 85 86 A Y E +CD 67 98A 1 -18,-3.0 -18,-2.2 -2,-0.5 2,-0.3 -0.927 32.0 152.1-103.0 116.7 8.7 6.8 28.4 86 87 A S E + D 0 97A 40 11,-2.5 11,-3.2 -2,-0.6 -20,-0.1 -0.808 39.8 50.2-136.5 172.7 6.6 5.4 31.2 87 88 A N E S- 0 0 123 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.930 73.2-178.7 61.7 41.7 3.1 5.7 32.7 88 89 A I E - 0 0 18 -23,-0.7 2,-0.4 8,-0.2 8,-0.2 -0.657 9.6-177.1 -82.2 129.5 1.6 5.3 29.2 89 90 A T E - D 0 95A 57 6,-2.9 6,-1.5 -2,-0.4 2,-0.0 -0.982 8.1-166.0-123.6 139.1 -2.2 5.5 28.9 90 91 A R >> + 0 0 88 1,-0.4 3,-2.5 -2,-0.4 4,-2.4 0.234 56.8 36.6 -93.6-140.2 -4.1 5.0 25.7 91 92 A F T 34 S+ 0 0 172 1,-0.3 -1,-0.4 2,-0.2 4,-0.0 -0.254 121.9 14.4 -47.8 135.7 -7.8 6.0 25.5 92 93 A P T 34 S+ 0 0 87 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.913 139.9 28.0-104.4 18.4 -8.9 8.4 26.9 93 94 A F T <4 - 0 0 135 -3,-2.5 -2,-0.2 2,-0.1 -3,-0.2 0.787 65.2-165.1-106.2 -43.5 -5.5 10.1 27.7 94 95 A H < + 0 0 37 -4,-2.4 36,-3.0 1,-0.2 37,-1.8 0.938 51.0 126.9 48.8 53.5 -3.1 8.9 24.9 95 96 A A E +De 89 131A 5 -6,-1.5 -6,-2.9 -5,-0.3 2,-0.3 -0.880 37.4 178.9-139.3 159.7 -0.3 10.2 27.2 96 97 A G E - e 0 132A 0 35,-1.3 37,-2.9 -2,-0.3 2,-0.4 -0.978 27.1-110.3-157.2 168.3 3.0 9.3 28.8 97 98 A H E -De 86 133A 59 -11,-3.2 -11,-2.5 -2,-0.3 2,-0.5 -0.848 22.1-154.1-104.5 136.5 5.8 10.5 31.0 98 99 A V E +D 85 0A 3 35,-2.4 37,-0.4 -2,-0.4 2,-0.3 -0.937 15.6 173.3-108.9 133.2 9.3 11.1 29.7 99 100 A G E +D 84 0A 28 -15,-2.0 -15,-3.6 -2,-0.5 2,-0.3 -0.988 9.8 177.4-132.3 144.5 12.3 11.0 32.1 100 101 A Y E -D 83 0A 39 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.964 13.1-172.7-146.4 160.4 16.0 11.2 30.9 101 102 A S E -D 82 0A 9 -19,-1.8 -19,-2.1 -2,-0.3 2,-0.3 -0.976 7.0-156.6-150.7 159.3 19.5 11.3 32.1 102 103 A L E -D 81 0A 19 -2,-0.3 -21,-0.3 -21,-0.2 5,-0.1 -0.995 32.7-100.1-139.2 141.0 23.0 11.9 30.7 103 104 A D > - 0 0 4 -23,-2.9 3,-1.5 -2,-0.3 -23,-0.1 -0.325 34.5-125.8 -53.5 137.8 26.5 10.8 31.8 104 105 A S G > S+ 0 0 52 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.744 108.5 56.9 -68.0 -23.1 28.2 13.8 33.5 105 106 A E G 3 S+ 0 0 148 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.594 103.1 57.4 -79.7 -8.4 31.3 13.7 31.2 106 107 A Y G X S+ 0 0 29 -3,-1.5 3,-0.7 -26,-0.1 5,-0.4 0.217 79.9 127.5-107.3 13.5 28.9 14.1 28.2 107 108 A Q T < + 0 0 72 -3,-0.8 -3,-0.0 1,-0.2 -4,-0.0 -0.289 58.3 29.9 -70.2 151.9 27.3 17.4 29.2 108 109 A G T 3 S+ 0 0 84 1,-0.1 -1,-0.2 -2,-0.0 -3,-0.0 0.554 88.7 97.7 84.6 10.0 27.1 20.5 27.1 109 110 A K S < S- 0 0 130 -3,-0.7 -2,-0.1 0, 0.0 -1,-0.1 0.265 93.7-114.2-112.3 6.5 27.0 18.8 23.7 110 111 A G S > S+ 0 0 21 1,-0.1 4,-2.1 3,-0.1 5,-0.2 0.653 75.1 133.5 68.6 17.0 23.3 18.8 23.1 111 112 A I H > S+ 0 0 3 -5,-0.4 4,-2.5 1,-0.2 5,-0.2 0.910 70.0 48.9 -67.0 -39.3 23.2 15.0 23.3 112 113 A X H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.924 109.6 51.2 -67.1 -46.9 20.2 15.0 25.6 113 114 A R H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.934 113.9 44.1 -54.0 -50.4 18.2 17.4 23.5 114 115 A R H X S+ 0 0 32 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.902 113.6 50.5 -62.7 -44.4 18.7 15.3 20.3 115 116 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.913 116.1 41.1 -60.3 -44.8 18.0 12.0 22.1 116 117 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.892 114.1 53.3 -72.4 -41.8 14.7 13.3 23.6 117 118 A N H X S+ 0 0 39 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.892 110.2 45.9 -58.1 -44.3 13.7 15.1 20.3 118 119 A V H X S+ 0 0 42 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.883 116.6 44.5 -74.7 -35.5 14.1 12.1 18.1 119 120 A T H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.862 110.9 52.6 -76.4 -36.7 12.3 9.8 20.5 120 121 A I H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.930 108.6 53.2 -58.6 -44.8 9.4 12.2 21.2 121 122 A D H X S+ 0 0 57 -4,-2.0 4,-2.7 -5,-0.3 5,-0.3 0.888 110.5 46.1 -57.4 -41.9 9.0 12.5 17.5 122 123 A W H X>S+ 0 0 46 -4,-1.4 4,-2.0 2,-0.2 5,-1.7 0.878 109.1 54.3 -68.1 -39.2 8.7 8.7 17.3 123 124 A X H <5S+ 0 0 0 -4,-2.5 6,-2.2 3,-0.2 -2,-0.2 0.864 116.1 40.3 -62.6 -33.5 6.3 8.5 20.2 124 125 A F H <5S+ 0 0 19 -4,-2.2 4,-0.5 4,-0.2 -2,-0.2 0.938 126.2 31.8 -78.0 -51.6 4.0 11.0 18.4 125 126 A K H <5S+ 0 0 154 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.927 132.5 25.8 -79.9 -50.1 4.4 9.6 14.9 126 127 A A T <5S+ 0 0 60 -4,-2.0 -3,-0.2 -5,-0.3 -1,-0.1 0.793 132.7 35.5 -88.9 -31.0 4.9 5.9 15.3 127 128 A Q S - 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