==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-APR-09 2WGE . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.R.LUCKNER,C.KISKER . 415 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 11.6 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 25 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.7 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 3 0 1 1 1 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 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 PARALLEL BRIDGES PER LADDER . 1 3 0 0 0 1 0 2 1 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 . 2 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 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 0 156 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.3 4.5 2.6 -16.4 2 3 A Q - 0 0 164 1,-0.1 7,-0.1 0, 0.0 5,-0.1 -0.608 360.0 -93.0 -83.6 147.9 8.1 2.1 -17.6 3 4 A P + 0 0 56 0, 0.0 2,-0.3 0, 0.0 295,-0.1 -0.259 50.2 168.6 -59.8 142.7 9.1 -1.3 -19.0 4 5 A S > - 0 0 11 293,-0.1 6,-1.6 1,-0.1 5,-1.2 -0.929 47.1-113.7-144.0 166.2 10.7 -3.9 -16.6 5 6 A T T > 5S+ 0 0 24 291,-2.0 3,-1.4 260,-0.3 293,-0.2 0.939 117.7 52.4 -65.6 -43.9 11.5 -7.5 -16.7 6 7 A A T 3 5S+ 0 0 73 291,-1.4 -1,-0.2 1,-0.3 292,-0.1 0.857 111.7 45.1 -61.4 -36.4 8.9 -8.3 -14.0 7 8 A N T 3 5S- 0 0 81 -5,-0.1 -1,-0.3 1,-0.0 -2,-0.2 0.369 115.4-111.4 -91.9 5.2 6.1 -6.4 -16.0 8 9 A G T < 5S+ 0 0 61 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.475 83.4 123.7 79.0 3.2 7.0 -8.0 -19.3 9 10 A G S > S- 0 0 99 1,-0.1 4,-2.2 -8,-0.1 3,-0.7 -0.903 73.6-150.5-105.9 117.6 37.1 -25.7 -14.4 28 29 A I H 3> S+ 0 0 15 -2,-0.6 4,-2.3 1,-0.3 5,-0.2 0.849 97.7 52.7 -57.0 -38.2 34.4 -23.4 -13.1 29 30 A E H 3> S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.874 110.7 48.5 -69.5 -29.2 32.6 -26.1 -11.2 30 31 A S H <> S+ 0 0 50 -3,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.816 108.7 53.1 -75.0 -33.6 35.9 -27.0 -9.5 31 32 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.947 110.1 49.5 -57.3 -49.3 36.5 -23.4 -8.6 32 33 A W H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.918 110.6 47.5 -60.0 -48.3 33.1 -23.3 -7.0 33 34 A K H X S+ 0 0 141 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.873 112.7 51.6 -60.8 -36.9 33.7 -26.5 -5.0 34 35 A G H <>S+ 0 0 2 -4,-1.8 5,-2.6 2,-0.2 -2,-0.2 0.911 107.4 50.8 -65.1 -45.0 37.0 -25.1 -3.9 35 36 A L H ><5S+ 0 0 3 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.943 109.7 51.2 -56.6 -48.1 35.5 -21.8 -2.8 36 37 A L H 3<5S+ 0 0 37 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.822 107.2 53.9 -60.0 -31.2 32.9 -23.8 -0.7 37 38 A A T 3<5S- 0 0 70 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.367 121.3-108.6 -83.1 2.6 35.8 -25.8 0.9 38 39 A G T < 5 + 0 0 32 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.689 62.4 160.6 77.4 21.7 37.5 -22.5 1.9 39 40 A E < - 0 0 95 -5,-2.6 2,-0.4 -8,-0.1 -1,-0.2 -0.449 26.9-150.0 -77.8 147.3 40.3 -22.8 -0.5 40 41 A S - 0 0 22 -2,-0.1 302,-0.2 2,-0.1 301,-0.1 -0.917 13.0-156.4-110.7 144.6 42.4 -19.8 -1.5 41 42 A G + 0 0 0 300,-2.8 2,-0.5 -2,-0.4 21,-0.1 0.345 65.4 105.7 -93.8 7.0 44.1 -19.2 -4.9 42 43 A I + 0 0 1 299,-0.3 2,-0.2 19,-0.1 19,-0.2 -0.763 41.4 151.9 -99.1 125.7 46.6 -16.8 -3.4 43 44 A H E -K 60 0B 88 17,-2.3 17,-2.1 -2,-0.5 2,-0.1 -0.806 52.5 -65.9-135.4 175.9 50.2 -17.9 -2.8 44 45 A A E -K 59 0B 55 -2,-0.2 2,-0.4 15,-0.2 15,-0.3 -0.467 56.4-117.2 -61.4 135.5 53.8 -16.6 -2.7 45 46 A L - 0 0 17 13,-2.5 -1,-0.1 -2,-0.1 16,-0.0 -0.679 27.2-173.0 -76.4 131.0 54.8 -15.2 -6.1 46 47 A E + 0 0 171 -2,-0.4 -1,-0.1 4,-0.0 5,-0.1 0.399 40.6 127.8-103.9 1.8 57.8 -17.1 -7.5 47 48 A D >> - 0 0 44 1,-0.1 3,-1.2 2,-0.1 4,-0.7 -0.265 64.4-131.5 -61.1 140.3 58.3 -14.8 -10.5 48 49 A E H 3> S+ 0 0 154 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.769 102.2 70.8 -68.9 -20.5 61.9 -13.5 -10.8 49 50 A F H 3> S+ 0 0 34 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.760 91.4 60.2 -65.1 -24.5 60.6 -9.9 -11.2 50 51 A V H <>>S+ 0 0 6 -3,-1.2 5,-1.8 2,-0.2 4,-0.7 0.948 112.7 35.2 -66.6 -48.2 59.6 -9.9 -7.6 51 52 A T H <5S+ 0 0 90 -4,-0.7 3,-0.5 3,-0.2 -2,-0.2 0.904 112.8 60.5 -75.9 -38.7 63.2 -10.5 -6.4 52 53 A K H <5S+ 0 0 150 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.903 121.6 24.6 -50.1 -46.7 64.7 -8.4 -9.2 53 54 A W H <5S- 0 0 155 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.417 99.5-130.5 -99.5 0.8 62.8 -5.3 -7.9 54 55 A D T <5 - 0 0 120 -4,-0.7 -3,-0.2 -3,-0.5 -4,-0.1 0.930 36.5-156.0 41.0 53.9 62.4 -6.5 -4.3 55 56 A L < - 0 0 19 -5,-1.8 -1,-0.1 -6,-0.2 152,-0.0 -0.248 21.0-131.6 -59.4 143.2 58.7 -5.6 -4.7 56 57 A A S S+ 0 0 59 -3,-0.1 2,-0.5 1,-0.0 163,-0.2 0.840 97.3 65.0 -61.3 -36.5 56.8 -4.8 -1.5 57 58 A V + 0 0 2 1,-0.1 -2,-0.1 161,-0.1 160,-0.1 -0.829 54.6 165.0 -93.8 125.5 54.1 -7.2 -2.7 58 59 A K + 0 0 67 -2,-0.5 -13,-2.5 -4,-0.1 2,-0.3 0.014 51.7 78.1-131.0 25.8 55.2 -10.8 -2.9 59 60 A I E +K 44 0B 3 -15,-0.3 179,-0.4 157,-0.2 2,-0.3 -0.915 44.2 122.3-139.8 156.5 51.9 -12.6 -3.1 60 61 A G E -K 43 0B 2 -17,-2.1 -17,-2.3 -2,-0.3 2,-0.6 -0.897 51.8 -94.9 164.3 169.3 49.2 -13.2 -5.7 61 62 A G B -l 239 0C 0 177,-2.2 179,-3.6 -2,-0.3 -19,-0.1 -0.861 30.2-169.3-116.1 98.5 47.2 -15.8 -7.6 62 63 A H - 0 0 63 -2,-0.6 -40,-0.1 177,-0.2 -2,-0.0 -0.453 46.4 -80.8 -71.3 153.3 48.4 -17.0 -11.0 63 64 A L - 0 0 12 1,-0.1 -40,-0.3 -2,-0.1 -1,-0.1 -0.281 32.9-134.2 -51.8 137.5 46.0 -19.1 -13.0 64 65 A K S S+ 0 0 147 -42,-2.2 -1,-0.1 1,-0.3 -41,-0.1 0.897 102.2 32.4 -55.9 -43.6 46.1 -22.8 -11.8 65 66 A D S S- 0 0 42 -43,-0.4 -1,-0.3 -40,-0.0 5,-0.1 -0.933 95.7-131.5-120.0 102.1 46.2 -23.8 -15.5 66 67 A P > - 0 0 76 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.219 10.5-130.4 -60.6 140.0 48.1 -21.3 -17.6 67 68 A V G > S+ 0 0 1 1,-0.2 3,-2.1 2,-0.2 4,-0.0 0.903 104.9 57.9 -51.3 -44.7 46.4 -20.2 -20.9 68 69 A D G > S+ 0 0 53 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.593 85.1 76.7 -76.1 -9.6 49.5 -20.8 -23.0 69 70 A S G < S+ 0 0 77 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.640 101.9 45.2 -66.4 -14.7 49.7 -24.5 -21.9 70 71 A H G < S+ 0 0 87 -3,-2.1 2,-0.5 -4,-0.3 -1,-0.3 0.235 99.1 94.8-105.9 6.4 46.8 -24.8 -24.4 71 72 A M < - 0 0 26 -3,-1.4 2,-0.1 4,-0.0 13,-0.0 -0.904 58.3-151.2-116.6 130.5 48.4 -22.7 -27.1 72 73 A G > - 0 0 46 -2,-0.5 4,-2.2 1,-0.0 5,-0.2 -0.184 39.1 -88.4 -84.6-178.5 50.4 -23.8 -30.1 73 74 A R H > S+ 0 0 184 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.849 122.1 52.7 -63.5 -40.6 53.1 -21.9 -32.0 74 75 A L H >> S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 3,-0.7 0.959 112.9 44.1 -62.9 -50.5 50.9 -20.1 -34.5 75 76 A D H 3> S+ 0 0 36 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.888 110.7 55.9 -61.6 -37.6 48.6 -18.7 -31.8 76 77 A M H 3< S+ 0 0 68 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.783 117.2 35.4 -63.2 -28.2 51.6 -17.8 -29.6 77 78 A R H << S+ 0 0 115 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.669 123.7 39.5 -99.0 -21.2 53.1 -15.7 -32.5 78 79 A R H < S+ 0 0 113 -4,-1.8 2,-0.3 -5,-0.1 -2,-0.2 0.333 108.2 55.0-118.9 4.2 49.9 -14.3 -34.1 79 80 A M S < S- 0 0 25 -4,-1.3 64,-0.1 -5,-0.2 2,-0.1 -0.981 75.1-120.3-135.2 147.4 47.6 -13.4 -31.1 80 81 A S > - 0 0 8 -2,-0.3 4,-2.2 62,-0.2 5,-0.2 -0.387 40.1-101.4 -72.1 168.9 48.0 -11.3 -28.0 81 82 A Y H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.917 123.7 49.0 -58.3 -48.7 47.6 -12.9 -24.6 82 83 A V H > S+ 0 0 12 35,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.827 109.3 53.6 -66.8 -28.3 44.1 -11.7 -24.1 83 84 A Q H > S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.907 109.4 48.6 -67.0 -41.8 43.1 -12.9 -27.6 84 85 A R H X S+ 0 0 14 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.926 111.4 49.1 -63.7 -44.0 44.5 -16.4 -26.7 85 86 A M H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.918 112.1 50.2 -59.4 -44.2 42.5 -16.4 -23.4 86 87 A G H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.928 110.3 48.1 -58.3 -47.7 39.4 -15.3 -25.4 87 88 A K H X S+ 0 0 74 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.930 114.4 47.8 -57.8 -45.4 39.8 -18.1 -28.0 88 89 A L H X S+ 0 0 23 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.964 117.7 39.3 -62.9 -53.6 40.3 -20.6 -25.2 89 90 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.862 112.3 56.5 -67.4 -39.1 37.3 -19.5 -23.1 90 91 A G H X S+ 0 0 0 -4,-3.1 4,-2.1 -5,-0.3 -1,-0.2 0.920 110.2 45.0 -57.9 -45.4 35.1 -18.9 -26.2 91 92 A G H X S+ 0 0 30 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.890 113.5 50.2 -65.5 -41.8 35.6 -22.5 -27.3 92 93 A Q H X S+ 0 0 55 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.924 111.6 47.8 -61.6 -47.3 35.1 -23.9 -23.8 93 94 A L H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.913 110.2 51.5 -60.6 -44.7 31.8 -22.0 -23.4 94 95 A W H <>S+ 0 0 34 -4,-2.1 5,-2.6 -5,-0.2 -1,-0.2 0.920 111.4 47.6 -64.0 -39.5 30.5 -23.0 -26.8 95 96 A E H ><5S+ 0 0 150 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.912 109.8 53.1 -65.3 -41.6 31.1 -26.7 -26.0 96 97 A S H 3<5S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.790 104.8 56.1 -63.4 -28.7 29.5 -26.3 -22.6 97 98 A A T 3<5S- 0 0 10 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.382 127.5 -99.4 -83.0 1.8 26.4 -24.9 -24.3 98 99 A G T < 5 - 0 0 59 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.718 55.2 -86.2 84.3 24.5 26.1 -28.0 -26.5 99 100 A S < - 0 0 72 -5,-2.6 -1,-0.2 -6,-0.2 -4,-0.1 0.873 65.6-164.0 44.7 51.9 27.8 -26.4 -29.5 100 101 A P - 0 0 19 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.275 20.9-129.4 -71.9 151.1 24.5 -24.9 -30.8 101 102 A E + 0 0 198 2,-0.0 2,-0.2 3,-0.0 -2,-0.0 -0.897 39.0 177.8 -96.0 108.9 24.0 -23.6 -34.3 102 103 A V - 0 0 29 -2,-0.7 5,-0.1 56,-0.0 3,-0.0 -0.697 41.3 -90.3-110.1 165.0 22.5 -20.2 -33.8 103 104 A D > - 0 0 84 -2,-0.2 3,-2.4 1,-0.2 87,-0.2 -0.667 33.7-150.5 -71.0 112.7 21.5 -17.5 -36.3 104 105 A P G > S+ 0 0 41 0, 0.0 56,-2.7 0, 0.0 3,-1.4 0.799 93.5 62.3 -57.0 -29.5 24.7 -15.4 -36.7 105 106 A D G 3 S+ 0 0 101 1,-0.3 54,-0.1 55,-0.2 -2,-0.0 0.542 107.8 41.7 -76.7 -7.6 22.6 -12.3 -37.4 106 107 A R G < S+ 0 0 73 -3,-2.4 84,-2.8 83,-0.1 85,-1.5 0.139 97.6 96.7-116.6 13.6 21.0 -12.5 -34.0 107 108 A F E < -c 191 0A 1 -3,-1.4 54,-2.5 82,-0.2 2,-0.3 -0.943 49.8-179.1-117.5 117.1 24.2 -13.3 -32.1 108 109 A A E -c 192 0A 0 83,-2.3 85,-2.1 -2,-0.5 2,-0.4 -0.773 15.6-150.8-110.4 160.0 26.4 -10.7 -30.4 109 110 A V E +cd 193 163A 0 53,-2.4 55,-2.6 -2,-0.3 2,-0.4 -0.993 13.3 177.0-128.5 132.5 29.7 -10.7 -28.4 110 111 A V E +cd 194 164A 0 83,-2.2 85,-1.8 -2,-0.4 2,-0.4 -0.920 11.1 166.4-135.4 111.7 30.5 -8.2 -25.6 111 112 A V E -c 195 0A 1 53,-2.3 39,-0.3 -2,-0.4 85,-0.3 -0.976 18.9-152.3-135.5 121.5 33.9 -8.7 -23.9 112 113 A G E -c 196 0A 0 83,-2.8 85,-2.2 -2,-0.4 2,-0.3 -0.457 5.6-162.9 -85.6 156.6 35.6 -6.3 -21.6 113 114 A T - 0 0 16 53,-0.8 55,-0.4 83,-0.2 56,-0.2 -0.880 7.4-155.0-131.0 169.9 39.3 -6.0 -20.9 114 115 A G - 0 0 15 83,-0.4 2,-1.2 -2,-0.3 55,-0.2 0.433 56.2 -12.3-115.1-117.6 41.1 -4.2 -18.1 115 116 A L S S- 0 0 99 84,-0.1 2,-0.7 55,-0.0 3,-0.2 -0.710 105.9 -67.2-100.2 78.0 44.4 -2.6 -17.4 116 117 A G - 0 0 36 -2,-1.2 -2,-0.2 1,-0.2 0, 0.0 -0.723 27.0-165.7 95.1-107.9 46.5 -3.8 -20.3 117 118 A G + 0 0 22 -2,-0.7 -35,-0.3 83,-0.2 -1,-0.2 0.958 51.8 163.1 50.7 67.0 47.5 -7.3 -21.0 118 119 A A > + 0 0 59 -3,-0.2 3,-0.6 1,-0.2 4,-0.4 -0.053 18.8 121.3-117.6 28.1 49.5 -4.8 -23.2 119 120 A E T 3> + 0 0 72 1,-0.2 4,-1.1 2,-0.1 3,-0.4 0.777 58.6 70.2 -68.7 -30.4 52.6 -6.7 -24.5 120 121 A R H 3> S+ 0 0 18 23,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.668 87.2 61.5 -74.8 -20.1 52.2 -6.4 -28.4 121 122 A I H <> S+ 0 0 65 -3,-0.6 4,-1.8 2,-0.2 3,-0.4 0.923 104.5 48.4 -67.2 -43.9 52.8 -2.7 -29.0 122 123 A V H > S+ 0 0 86 -4,-0.4 4,-2.3 -3,-0.4 -2,-0.2 0.908 106.0 57.5 -64.5 -43.0 56.4 -2.8 -27.6 123 124 A E H X S+ 0 0 69 -4,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.814 105.5 52.1 -58.4 -31.1 57.3 -5.8 -29.7 124 125 A S H X S+ 0 0 13 -4,-0.9 4,-1.8 -3,-0.4 -1,-0.2 0.923 107.0 50.9 -73.7 -46.1 56.3 -3.9 -32.9 125 126 A Y H X S+ 0 0 135 -4,-1.8 4,-3.1 1,-0.2 3,-0.3 0.956 110.0 51.5 -49.5 -53.1 58.6 -0.9 -32.0 126 127 A D H X S+ 0 0 97 -4,-2.3 4,-2.0 1,-0.2 5,-0.3 0.905 106.4 52.4 -54.9 -49.4 61.5 -3.3 -31.5 127 128 A L H X S+ 0 0 70 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.886 115.4 43.4 -50.2 -41.7 61.0 -5.0 -34.9 128 129 A M H X S+ 0 0 75 -4,-1.8 4,-1.9 -3,-0.3 -2,-0.2 0.871 106.9 57.5 -78.1 -42.6 61.1 -1.5 -36.5 129 130 A N H < S+ 0 0 132 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.890 121.1 29.8 -54.1 -41.0 64.0 -0.1 -34.6 130 131 A A H < S+ 0 0 95 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.1 0.951 136.1 21.8 -83.1 -54.9 66.2 -3.0 -35.8 131 132 A G H < S- 0 0 42 -4,-2.5 3,-0.2 -5,-0.3 -3,-0.2 0.483 102.5-117.8-100.6 -5.3 64.8 -4.0 -39.2 132 133 A G >< - 0 0 21 -4,-1.9 3,-2.8 -5,-0.3 4,-0.3 -0.138 50.4 -50.7 86.7 172.6 62.9 -0.8 -40.4 133 134 A P G > S+ 0 0 104 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.758 131.9 62.9 -57.2 -29.9 59.2 -0.3 -41.2 134 135 A R G 3 S+ 0 0 228 -3,-0.2 -2,-0.1 1,-0.2 -6,-0.1 0.505 94.5 64.8 -73.4 -4.5 59.0 -3.4 -43.5 135 136 A K G < S+ 0 0 137 -3,-2.8 -1,-0.2 2,-0.1 2,-0.2 0.455 77.7 95.3 -95.5 -4.6 59.9 -5.5 -40.4 136 137 A V S < S- 0 0 44 -3,-1.2 -12,-0.1 -4,-0.3 -11,-0.0 -0.604 86.8-110.0 -71.4 148.1 56.6 -4.7 -38.6 137 138 A S > - 0 0 45 -2,-0.2 3,-1.8 1,-0.1 4,-0.4 -0.565 2.2-132.6 -82.2 147.9 54.2 -7.5 -39.3 138 139 A P T 3 S+ 0 0 129 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.689 114.5 60.7 -65.8 -10.9 51.1 -7.2 -41.5 139 140 A L T 3> S+ 0 0 53 1,-0.2 4,-1.2 2,-0.1 5,-0.2 0.502 77.7 92.3 -86.9 -3.7 49.6 -8.9 -38.5 140 141 A A H <> S+ 0 0 7 -3,-1.8 4,-1.3 1,-0.2 3,-0.4 0.879 79.8 55.6 -58.1 -42.0 50.5 -6.1 -36.0 141 142 A V H >> S+ 0 0 110 -4,-0.4 4,-2.3 -3,-0.3 3,-0.6 0.934 107.0 47.4 -63.9 -45.8 47.2 -4.3 -36.3 142 143 A Q H 34 S+ 0 0 94 -4,-0.3 -1,-0.2 1,-0.2 -62,-0.2 0.759 114.7 48.2 -66.8 -23.7 45.0 -7.2 -35.4 143 144 A M H 3< S+ 0 0 13 -4,-1.2 -1,-0.2 -3,-0.4 -23,-0.2 0.659 117.8 39.7 -85.9 -20.7 47.2 -8.0 -32.4 144 145 A I H << S+ 0 0 59 -4,-1.3 -2,-0.2 -3,-0.6 -3,-0.2 0.727 83.4 104.6-101.8 -29.4 47.4 -4.5 -31.0 145 146 A M S >< S- 0 0 62 -4,-2.3 3,-2.0 -5,-0.2 4,-0.1 -0.310 70.7-134.8 -62.4 134.4 43.9 -3.1 -31.5 146 147 A P T 3 S+ 0 0 106 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.649 104.0 62.5 -72.5 -10.9 42.2 -3.0 -28.1 147 148 A N T 3> S+ 0 0 76 1,-0.2 4,-2.3 2,-0.1 5,-0.2 0.367 77.4 108.1 -81.1 4.4 39.0 -4.6 -29.5 148 149 A G H <> S+ 0 0 3 -3,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.805 70.4 48.5 -60.3 -41.1 41.1 -7.6 -30.4 149 150 A A H > S+ 0 0 3 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.943 115.0 43.8 -67.4 -50.1 39.9 -10.2 -27.8 150 151 A A H > S+ 0 0 1 -39,-0.3 4,-2.8 -4,-0.2 -2,-0.2 0.908 113.3 54.5 -58.3 -38.9 36.2 -9.6 -28.5 151 152 A A H X S+ 0 0 28 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.928 107.1 49.8 -61.6 -45.3 37.0 -9.6 -32.3 152 153 A V H X S+ 0 0 25 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.931 113.4 45.8 -58.3 -46.4 38.7 -13.0 -32.0 153 154 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.910 112.1 51.0 -67.2 -43.3 35.7 -14.5 -30.2 154 155 A G H X>S+ 0 0 4 -4,-2.8 5,-2.1 -5,-0.2 4,-1.4 0.901 114.0 43.9 -57.8 -39.8 33.2 -13.0 -32.6 155 156 A L H <5S+ 0 0 156 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.905 113.8 51.9 -73.3 -40.5 35.1 -14.4 -35.6 156 157 A Q H <5S+ 0 0 74 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.897 121.6 29.7 -62.1 -44.1 35.5 -17.8 -33.9 157 158 A L H <5S- 0 0 30 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.587 109.6-115.0 -98.8 -12.2 31.9 -18.2 -33.0 158 159 A G T <5 + 0 0 19 -4,-1.4 2,-0.7 -5,-0.3 -3,-0.2 0.900 44.2 175.5 82.0 46.4 30.3 -16.3 -35.9 159 160 A A < + 0 0 11 -5,-2.1 3,-0.2 -6,-0.2 -1,-0.2 -0.765 10.5 165.4 -90.0 115.7 28.6 -13.4 -34.2 160 161 A R + 0 0 175 -56,-2.7 -52,-0.2 -2,-0.7 -55,-0.2 0.296 59.6 77.4-113.7 8.3 27.1 -10.9 -36.7 161 162 A A S S- 0 0 15 -54,-2.5 -53,-0.2 -57,-0.4 -1,-0.1 -0.035 114.4 -50.2-106.7 26.0 24.8 -8.8 -34.4 162 163 A G - 0 0 27 -55,-0.2 -53,-2.4 -3,-0.2 2,-0.4 0.109 40.4-143.2 117.0 138.0 27.7 -6.7 -33.0 163 164 A V E +d 109 0A 58 -55,-0.2 2,-0.3 -3,-0.1 -53,-0.2 -0.949 32.9 178.8-130.5 108.2 31.1 -7.3 -31.3 164 165 A M E -d 110 0A 66 -55,-2.6 -53,-2.3 -2,-0.4 16,-0.0 -0.805 23.1-165.8-121.9 151.5 31.7 -4.8 -28.5 165 166 A T - 0 0 39 -2,-0.3 2,-0.3 -55,-0.2 -53,-0.2 -0.904 10.7-166.8-135.4 102.5 34.4 -4.0 -26.0 166 167 A P - 0 0 15 0, 0.0 -53,-0.8 0, 0.0 2,-0.5 -0.691 6.7-155.9 -85.2 141.3 33.6 -1.7 -23.1 167 168 A V + 0 0 99 -2,-0.3 -53,-0.1 -55,-0.2 3,-0.1 -0.973 37.0 137.2-121.6 120.9 36.5 -0.4 -21.0 168 169 A S > - 0 0 4 -2,-0.5 3,-2.0 1,-0.5 238,-0.2 -0.159 59.4-119.6-147.9 42.1 35.9 0.8 -17.4 169 170 A A G > S+ 0 0 16 1,-0.3 3,-2.0 -55,-0.2 -1,-0.5 -0.311 92.9 7.1 54.9-128.0 38.9 -0.6 -15.5 170 171 A C G 3 S+ 0 0 1 1,-0.3 180,-0.6 2,-0.1 -1,-0.3 0.629 133.5 52.4 -64.4 -18.4 37.8 -3.0 -12.8 171 172 A S G <> S+ 0 0 0 -3,-2.0 4,-3.0 232,-0.2 3,-0.3 0.445 77.1 102.0 -94.2 3.7 34.1 -3.0 -13.9 172 173 A S H <> S+ 0 0 0 -3,-2.0 4,-2.1 1,-0.2 -60,-0.2 0.819 79.3 51.4 -60.3 -39.0 34.7 -3.8 -17.6 173 174 A G H > S+ 0 0 0 174,-0.5 4,-1.2 173,-0.4 -1,-0.2 0.892 115.5 41.1 -69.5 -37.6 33.7 -7.5 -17.3 174 175 A S H > S+ 0 0 0 -3,-0.3 4,-2.5 -4,-0.2 -2,-0.2 0.891 111.8 55.7 -70.7 -42.5 30.4 -6.7 -15.6 175 176 A E H X S+ 0 0 32 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.894 103.5 56.8 -60.1 -36.8 29.8 -3.7 -17.9 176 177 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.918 107.3 46.8 -55.9 -46.3 30.1 -6.2 -20.8 177 178 A I H X S+ 0 0 0 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.909 110.4 54.7 -62.3 -39.9 27.3 -8.3 -19.4 178 179 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.915 110.2 44.2 -57.0 -49.2 25.3 -5.2 -18.9 179 180 A H H X S+ 0 0 50 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.836 110.9 54.9 -67.9 -35.4 25.6 -4.1 -22.6 180 181 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.904 107.8 49.9 -60.9 -45.4 24.9 -7.6 -23.8 181 182 A W H X S+ 0 0 5 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.938 111.6 48.8 -59.2 -48.0 21.7 -7.6 -21.8 182 183 A R H X S+ 0 0 98 -4,-2.1 4,-2.3 1,-0.2 6,-0.2 0.890 106.7 55.4 -55.3 -44.1 20.8 -4.2 -23.4 183 184 A Q H <>S+ 0 0 34 -4,-2.4 5,-2.0 2,-0.2 6,-1.2 0.854 113.9 42.0 -60.4 -38.4 21.5 -5.5 -26.9 184 185 A I H ><5S+ 0 0 3 -4,-1.8 3,-1.8 4,-0.2 -2,-0.2 0.959 114.6 47.3 -73.7 -51.1 19.0 -8.4 -26.3 185 186 A V H 3<5S+ 0 0 22 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.777 110.8 53.5 -68.1 -25.3 16.2 -6.4 -24.5 186 187 A M T 3<5S- 0 0 150 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.522 119.7-112.0 -80.7 -7.8 16.4 -3.7 -27.2 187 188 A G T < 5S+ 0 0 41 -3,-1.8 -3,-0.2 2,-0.3 -2,-0.1 0.568 85.8 115.8 92.1 11.6 16.0 -6.4 -29.9 188 189 A D S - 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