==== 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 RIFAMYCIN BIOSYNTHESIS (RIFD GENE) 11-FEB-99 1B9H . COMPND 2 MOLECULE: PROTEIN (3-AMINO-5-HYDROXYBENZOIC ACID SYNTHASE); . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS MEDITERRANEI; . AUTHOR J.C.EADS,M.BEEBY,G.SCAPIN,T.-W.YU,H.G.FLOSS . 384 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 1 1 1 1 1 1 3 2 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 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 PARALLEL BRIDGES PER LADDER . 5 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 2 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 5 A K 0 0 248 0, 0.0 3,-0.1 0, 0.0 371,-0.0 0.000 360.0 360.0 360.0 -38.1 13.9 63.1 30.8 2 6 A A - 0 0 55 1,-0.1 310,-0.1 374,-0.0 2,-0.1 -0.192 360.0-115.7 -54.0 125.7 13.9 60.0 28.7 3 7 A P - 0 0 14 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.397 28.6-140.8 -63.3 131.4 17.3 58.3 28.9 4 8 A E - 0 0 168 -3,-0.1 365,-0.1 -2,-0.1 309,-0.0 -0.853 14.8-158.0 -98.7 144.7 19.0 58.2 25.5 5 9 A F - 0 0 23 -2,-0.4 357,-0.2 1,-0.1 356,-0.1 -0.837 29.6 -86.7-118.8 160.6 21.1 55.2 24.3 6 10 A P - 0 0 41 0, 0.0 358,-0.1 0, 0.0 -1,-0.1 -0.173 52.9-103.2 -61.8 145.5 23.8 54.8 21.7 7 11 A A - 0 0 63 2,-0.0 3,-0.1 0, 0.0 0, 0.0 -0.260 36.5-117.7 -59.8 159.7 22.7 54.2 18.1 8 12 A W S S+ 0 0 30 1,-0.2 2,-0.1 2,-0.0 175,-0.0 -0.900 89.2 32.8-156.4 134.1 22.7 50.8 16.3 9 13 A P S S- 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.587 83.9-160.9 -66.6 175.4 24.1 49.9 14.0 10 14 A Q + 0 0 58 -2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 -0.877 17.2 158.7-118.3 151.5 27.3 51.9 14.4 11 15 A Y + 0 0 147 -2,-0.3 2,-0.2 3,-0.0 229,-0.0 -0.973 9.9 172.6-157.7 172.6 30.0 52.8 11.8 12 16 A D >> - 0 0 80 -2,-0.3 4,-1.5 0, 0.0 3,-0.8 -0.607 65.1 -41.7-157.0-144.6 32.7 55.3 11.1 13 17 A D H 3> S+ 0 0 103 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.685 125.5 69.2 -69.0 -24.4 35.5 55.6 8.5 14 18 A A H 3> S+ 0 0 39 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.935 104.4 41.6 -58.9 -46.6 36.3 52.0 8.7 15 19 A E H <> S+ 0 0 10 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.874 115.4 51.8 -61.6 -50.6 32.9 51.2 7.0 16 20 A R H X S+ 0 0 129 -4,-1.5 4,-1.8 1,-0.2 3,-0.2 0.978 113.2 41.7 -53.1 -56.7 33.4 54.2 4.6 17 21 A N H X S+ 0 0 100 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.746 112.7 57.8 -58.7 -37.1 36.8 53.1 3.4 18 22 A G H X S+ 0 0 0 -4,-1.3 4,-2.5 -5,-0.3 -1,-0.2 0.918 105.5 46.9 -61.5 -46.4 35.6 49.5 3.3 19 23 A L H X S+ 0 0 69 -4,-2.2 4,-2.7 -3,-0.2 -2,-0.2 0.886 114.2 48.7 -65.9 -42.5 32.8 50.2 0.9 20 24 A V H X S+ 0 0 71 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.914 110.4 50.8 -61.2 -46.7 35.1 52.2 -1.4 21 25 A R H X S+ 0 0 105 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.904 113.0 46.4 -59.2 -45.2 37.8 49.4 -1.3 22 26 A A H >< S+ 0 0 0 -4,-2.5 3,-0.6 2,-0.2 5,-0.4 0.930 114.1 47.8 -62.8 -51.3 35.1 46.9 -2.2 23 27 A L H >< S+ 0 0 84 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.950 109.1 54.1 -51.4 -47.7 33.8 49.1 -5.0 24 28 A E H 3< S+ 0 0 147 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.574 86.8 76.3 -75.7 -8.1 37.3 49.9 -6.4 25 29 A Q T << S- 0 0 60 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.1 0.737 95.3-140.7 -63.4 -26.1 38.2 46.2 -6.8 26 30 A G S < S+ 0 0 44 -3,-1.9 2,-0.4 -4,-0.4 -2,-0.1 0.586 77.8 85.5 76.6 -0.1 35.9 46.5 -9.9 27 31 A Q - 0 0 101 -5,-0.4 -2,-0.2 -4,-0.1 -1,-0.1 -0.992 55.3-175.4-137.6 122.4 34.5 43.0 -9.1 28 32 A W + 0 0 129 -2,-0.4 207,-1.9 5,-0.1 208,-0.4 0.303 56.6 74.3-114.1 7.8 31.7 42.7 -6.6 29 33 A W B >> S-A 234 0A 112 205,-0.2 3,-1.3 206,-0.1 4,-1.2 -0.796 90.9-104.8-116.2 162.0 31.1 39.0 -6.0 30 34 A R T 34 S+ 0 0 5 203,-0.5 7,-0.2 -2,-0.3 204,-0.1 0.717 113.9 63.8 -60.2 -27.0 33.4 36.7 -4.0 31 35 A M T 34 S+ 0 0 54 1,-0.2 -1,-0.3 3,-0.0 -4,-0.0 0.768 115.2 29.1 -74.6 -18.2 34.9 35.0 -7.1 32 36 A G T <4 S+ 0 0 38 -3,-1.3 -1,-0.2 0, 0.0 -2,-0.2 0.523 119.1 50.6-113.2 -14.0 36.5 38.2 -8.4 33 37 A G < - 0 0 11 -4,-1.2 -5,-0.1 -7,-0.1 4,-0.1 -0.459 66.7-136.3-110.7-171.8 37.2 40.2 -5.2 34 38 A D S > S+ 0 0 82 -2,-0.2 4,-2.3 2,-0.1 5,-0.2 0.303 77.5 90.2-125.7 3.1 38.8 39.5 -1.8 35 39 A E H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.921 92.4 43.3 -68.1 -44.4 36.6 40.9 0.8 36 40 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.922 115.3 51.0 -65.0 -43.7 34.4 37.9 1.4 37 41 A N H > S+ 0 0 47 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.898 114.7 42.5 -58.7 -48.1 37.5 35.7 1.3 38 42 A S H X S+ 0 0 24 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.892 111.8 53.7 -62.7 -45.1 39.3 37.9 3.9 39 43 A F H X S+ 0 0 1 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.924 106.2 55.6 -61.3 -37.4 36.2 38.3 6.1 40 44 A E H X S+ 0 0 11 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.919 110.2 42.7 -63.8 -47.0 35.9 34.5 6.2 41 45 A R H X S+ 0 0 204 -4,-1.5 4,-2.8 1,-0.2 5,-0.2 0.899 117.0 47.1 -63.6 -45.2 39.4 34.0 7.5 42 46 A E H X S+ 0 0 70 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.885 114.8 46.9 -59.3 -44.8 39.1 36.9 10.0 43 47 A F H X S+ 0 0 1 -4,-3.2 4,-1.2 -5,-0.2 -2,-0.2 0.894 114.6 46.0 -66.7 -43.7 35.7 35.7 11.2 44 48 A A H ><>S+ 0 0 6 -4,-2.5 5,-3.0 -5,-0.2 3,-0.6 0.938 112.5 49.2 -64.3 -48.9 36.8 32.1 11.6 45 49 A A H ><5S+ 0 0 63 -4,-2.8 3,-2.6 3,-0.2 -2,-0.2 0.939 107.5 57.2 -52.6 -49.2 40.1 33.0 13.4 46 50 A H H 3<5S+ 0 0 51 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.839 113.9 38.0 -58.0 -25.4 38.0 35.2 15.7 47 51 A H T <<5S- 0 0 1 -4,-1.2 123,-1.3 -3,-0.6 -1,-0.3 0.028 112.7-117.6-106.3 14.7 35.9 32.2 16.7 48 52 A G T < 5 + 0 0 19 -3,-2.6 -3,-0.2 1,-0.1 2,-0.2 0.757 64.7 148.9 52.1 30.3 38.8 29.8 16.7 49 53 A A < - 0 0 14 -5,-3.0 -1,-0.1 -6,-0.2 3,-0.1 -0.591 55.3-132.9 -91.0 158.2 37.1 27.8 13.8 50 54 A A S S+ 0 0 40 146,-1.6 2,-0.3 120,-0.3 -1,-0.1 0.771 89.9 8.5 -68.2 -40.5 39.0 25.9 11.1 51 55 A H E -B 196 0B 46 145,-1.8 145,-3.4 -7,-0.1 2,-0.4 -0.982 59.7-158.2-143.2 147.9 36.8 27.4 8.4 52 56 A A E -B 195 0B 7 -2,-0.3 2,-0.6 143,-0.2 143,-0.2 -0.940 4.3-162.6-124.8 133.4 34.1 30.1 8.0 53 57 A L E -B 194 0B 0 141,-3.2 141,-2.1 -2,-0.4 2,-0.3 -0.900 13.2-151.4-113.7 101.5 31.6 30.2 5.1 54 58 A A E +B 193 0B 0 -2,-0.6 179,-0.6 139,-0.2 139,-0.3 -0.586 25.6 174.4 -74.3 133.7 30.0 33.7 4.7 55 59 A V E -BC 192 232B 0 137,-2.0 137,-2.0 -2,-0.3 177,-0.2 -0.756 45.0 -85.3-132.6 176.6 26.4 33.5 3.3 56 60 A T S S- 0 0 40 175,-1.4 2,-0.3 -2,-0.2 176,-0.1 0.861 97.8 -23.4 -54.7 -41.6 23.4 35.6 2.5 57 61 A N > - 0 0 36 134,-0.2 4,-1.9 133,-0.2 135,-0.4 -0.962 64.9 -95.5-166.2 166.2 21.7 35.5 6.0 58 62 A G H > S+ 0 0 7 133,-0.7 4,-2.5 -2,-0.3 5,-0.2 0.821 119.1 59.6 -66.7 -23.0 21.5 33.5 9.2 59 63 A T H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.969 109.4 42.0 -69.8 -43.1 18.4 31.7 8.0 60 64 A H H > S+ 0 0 55 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.845 108.1 60.9 -74.9 -29.8 20.3 30.3 5.0 61 65 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.973 109.0 44.2 -58.2 -41.4 23.3 29.6 7.2 62 66 A L H X S+ 0 0 4 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.882 113.1 50.3 -66.7 -40.0 21.1 27.3 9.2 63 67 A E H X S+ 0 0 26 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.906 114.1 44.3 -62.3 -45.7 19.5 25.7 6.1 64 68 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.896 114.4 48.7 -66.3 -47.7 22.9 25.0 4.5 65 69 A A H X S+ 0 0 0 -4,-2.7 4,-1.1 -5,-0.3 -2,-0.2 0.985 112.2 48.2 -57.3 -54.4 24.4 23.7 7.8 66 70 A L H ><>S+ 0 0 0 -4,-3.2 5,-3.3 1,-0.2 3,-0.7 0.894 111.9 52.5 -54.4 -38.1 21.3 21.3 8.4 67 71 A Q H ><5S+ 0 0 55 -4,-2.0 3,-1.4 -5,-0.3 -1,-0.2 0.953 109.4 45.0 -67.5 -43.1 21.6 20.1 4.8 68 72 A V H 3<5S+ 0 0 16 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.650 110.3 58.1 -74.6 -11.7 25.3 19.2 4.9 69 73 A M T <<5S- 0 0 19 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.108 127.5 -98.5 -99.2 15.3 24.6 17.5 8.3 70 74 A G T < 5 + 0 0 38 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.550 65.6 158.5 87.4 9.7 22.0 15.2 6.6 71 75 A V < + 0 0 10 -5,-3.3 -1,-0.2 -6,-0.2 6,-0.0 -0.387 26.4 105.1 -68.7 139.9 18.7 17.0 7.4 72 76 A G > - 0 0 10 23,-0.1 3,-2.4 25,-0.1 25,-0.2 -0.988 68.0 -15.2 176.9-173.8 16.0 16.1 5.0 73 77 A P T 3 S+ 0 0 117 0, 0.0 23,-0.2 0, 0.0 3,-0.1 -0.260 124.9 24.5 -49.6 127.1 12.9 14.1 4.4 74 78 A G T 3 S+ 0 0 42 21,-0.8 2,-0.2 1,-0.3 22,-0.1 0.373 101.4 106.3 97.2 -0.5 12.5 11.5 7.0 75 79 A T < - 0 0 16 -3,-2.4 22,-2.7 20,-0.1 2,-0.4 -0.610 55.3-141.6-113.1 169.0 14.5 13.3 9.7 76 80 A E E -gh 97 123C 37 46,-1.4 48,-3.0 20,-0.2 49,-1.0 -0.966 7.8-159.1-124.3 137.3 13.7 15.1 12.9 77 81 A V E -gh 98 125C 0 20,-2.6 22,-3.0 -2,-0.4 2,-0.4 -0.986 12.0-144.3-119.5 127.1 15.6 18.1 14.2 78 82 A I E +gh 99 126C 0 47,-2.3 49,-2.5 -2,-0.5 20,-0.0 -0.764 30.3 165.1 -87.5 124.5 15.3 19.0 17.9 79 83 A V E -g 100 0C 0 20,-1.5 22,-2.3 -2,-0.4 2,-0.1 -0.984 44.6 -91.5-137.5 155.8 15.2 22.8 18.5 80 84 A P E -g 101 0C 2 0, 0.0 22,-0.2 0, 0.0 23,-0.1 -0.448 28.3-137.9 -65.6 140.5 14.3 24.9 21.5 81 85 A A S S+ 0 0 0 20,-2.7 241,-2.3 1,-0.2 2,-0.7 0.652 95.8 64.3 -74.5 -20.5 10.7 25.8 21.5 82 86 A F S S+ 0 0 1 19,-0.3 2,-0.3 239,-0.2 -1,-0.2 -0.885 82.9 90.1-105.5 99.4 11.6 29.3 22.6 83 87 A T S S- 0 0 3 -2,-0.7 2,-0.2 237,-0.5 237,-0.2 -0.943 84.7 -63.1-165.1-179.8 13.7 30.9 19.7 84 88 A F > - 0 0 99 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.597 54.4-112.5 -75.2 142.5 13.3 32.9 16.5 85 89 A I T >> S+ 0 0 39 1,-0.3 4,-3.3 -2,-0.2 3,-1.0 0.772 108.4 75.8 -54.1 -26.4 11.2 31.0 13.8 86 90 A S H 3> S+ 0 0 8 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.856 84.3 66.5 -55.5 -32.6 14.2 30.6 11.5 87 91 A S H <4 S+ 0 0 1 -3,-1.7 4,-0.4 1,-0.2 -1,-0.3 0.901 116.6 24.3 -58.2 -42.9 15.6 27.8 13.8 88 92 A S H X> S+ 0 0 0 -3,-1.0 4,-2.8 -4,-0.3 3,-1.1 0.852 116.7 64.2 -86.3 -41.2 12.6 25.5 13.0 89 93 A Q H 3X S+ 0 0 79 -4,-3.3 4,-3.1 1,-0.3 5,-0.2 0.864 98.3 55.9 -48.8 -42.9 11.8 27.0 9.6 90 94 A A H 3X S+ 0 0 0 -4,-2.6 4,-0.5 -5,-0.3 -1,-0.3 0.830 110.3 43.7 -58.1 -39.9 15.2 26.0 8.2 91 95 A A H X4>S+ 0 0 0 -3,-1.1 5,-1.8 -4,-0.4 3,-1.5 0.956 113.7 51.4 -71.6 -45.7 14.6 22.3 9.1 92 96 A Q H ><5S+ 0 0 13 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.899 104.2 57.5 -61.8 -28.9 11.0 22.5 7.8 93 97 A R H 3<5S+ 0 0 193 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.720 103.8 54.7 -72.5 -19.9 12.2 24.0 4.5 94 98 A L T <<5S- 0 0 34 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.504 122.6-103.9 -89.7 -7.7 14.4 20.9 4.1 95 99 A G T < 5S+ 0 0 40 -3,-1.8 -21,-0.8 -4,-0.4 -3,-0.2 0.542 80.9 127.2 96.2 12.8 11.5 18.4 4.5 96 100 A A < - 0 0 0 -5,-1.8 2,-0.4 -23,-0.2 -1,-0.3 -0.401 62.7-110.8 -98.4 173.6 12.4 17.4 8.0 97 101 A V E -g 76 0C 43 -22,-2.7 -20,-2.6 -25,-0.2 2,-0.6 -0.923 24.4-138.7-105.8 137.0 10.1 17.5 11.0 98 102 A T E -g 77 0C 0 234,-1.8 -20,-0.2 -2,-0.4 -10,-0.1 -0.808 12.6-163.3 -97.7 126.3 10.9 20.0 13.7 99 103 A V E -g 78 0C 11 -22,-3.0 -20,-1.5 -2,-0.6 2,-0.2 -0.867 12.5-148.6-109.8 99.8 10.6 18.7 17.3 100 104 A P E -g 79 0C 0 0, 0.0 2,-0.3 0, 0.0 -22,-0.1 -0.455 16.3-168.3 -69.4 136.4 10.3 21.6 19.7 101 105 A V E -g 80 0C 0 -22,-2.3 -20,-2.7 -2,-0.2 -19,-0.3 -0.856 24.3 -97.1-129.4 150.8 11.8 20.9 23.2 102 106 A D - 0 0 9 242,-0.5 9,-2.1 -2,-0.3 2,-0.3 -0.155 33.1-143.3 -65.4 166.3 11.6 22.9 26.4 103 107 A V B -J 110 0D 0 7,-0.3 7,-0.3 -23,-0.1 244,-0.1 -0.888 31.7 -77.9-122.7 163.4 14.2 25.3 27.7 104 108 A D > - 0 0 56 5,-3.3 4,-1.0 -2,-0.3 -1,-0.1 -0.192 33.6-132.1 -59.8 148.1 15.6 26.2 31.1 105 109 A A T 4 S+ 0 0 46 1,-0.2 -1,-0.1 2,-0.1 171,-0.0 0.787 103.1 35.0 -72.3 -26.1 13.4 28.5 33.3 106 110 A A T 4 S+ 0 0 48 3,-0.1 170,-3.1 169,-0.1 -1,-0.2 0.830 129.0 25.7 -98.1 -43.8 16.2 30.7 34.1 107 111 A T T 4 S- 0 0 18 168,-0.2 27,-0.1 2,-0.2 -2,-0.1 0.685 90.2-133.3 -96.5 -22.0 18.6 31.0 31.0 108 112 A Y < + 0 0 3 -4,-1.0 2,-0.3 1,-0.3 -26,-0.1 0.651 60.0 140.7 71.7 23.8 15.8 30.2 28.4 109 113 A N - 0 0 8 1,-0.1 -5,-3.3 26,-0.1 -1,-0.3 -0.735 67.5 -74.6 -99.1 152.6 18.3 27.8 26.9 110 114 A L B -J 103 0D 2 19,-0.4 27,-0.4 -2,-0.3 -7,-0.3 -0.040 53.4-122.5 -53.2 120.0 17.6 24.3 25.5 111 115 A D > - 0 0 31 -9,-2.1 4,-1.9 1,-0.2 5,-0.2 -0.458 13.5-148.0 -71.0 118.2 17.0 22.0 28.5 112 116 A P H > S+ 0 0 25 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.900 95.4 47.1 -57.3 -40.9 19.4 19.1 28.3 113 117 A E H > S+ 0 0 160 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.960 108.3 55.2 -69.7 -41.5 17.0 16.6 30.0 114 118 A A H > S+ 0 0 25 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.874 109.0 49.5 -56.9 -34.5 14.1 17.6 27.7 115 119 A V H >X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 3,-1.6 0.957 101.8 60.4 -74.5 -38.7 16.3 16.9 24.7 116 120 A A H 3< S+ 0 0 54 -4,-2.3 3,-0.2 1,-0.3 -1,-0.2 0.913 109.6 45.2 -52.7 -36.8 17.4 13.4 26.0 117 121 A A H 3< S+ 0 0 88 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.757 109.4 51.3 -77.7 -18.4 13.7 12.4 25.9 118 122 A A H << S+ 0 0 14 -3,-1.6 -1,-0.2 -4,-0.8 -2,-0.2 0.596 83.8 114.8 -92.4 -14.2 12.7 13.8 22.5 119 123 A V < + 0 0 35 -4,-1.8 7,-0.0 -3,-0.2 -3,-0.0 -0.294 44.8 168.4 -56.2 139.8 15.7 12.0 21.1 120 124 A T > - 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0 0 29 -4,-0.3 -1,-0.2 -236,-0.2 -234,-0.1 -0.488 44.3-102.2 -80.9 159.4 5.1 19.6 11.9 334 338 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -235,-0.0 -0.311 27.9-114.8 -75.0 162.5 5.2 16.8 14.4 335 339 A D S S+ 0 0 170 2,-0.0 -2,-0.0 -2,-0.0 0, 0.0 0.573 88.3 98.8 -80.8 -0.9 2.2 14.5 14.8 336 340 A E S S- 0 0 71 1,-0.1 2,-0.2 2,-0.1 -3,-0.0 -0.202 77.1-115.3 -65.0 175.1 1.6 15.7 18.3 337 341 A S > - 0 0 64 1,-0.1 4,-2.2 0, 0.0 5,-0.3 -0.725 28.3 -97.4-103.9 168.3 -1.1 18.4 18.9 338 342 A V H > S+ 0 0 53 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.857 124.8 41.8 -51.6 -48.4 -0.6 22.0 20.2 339 343 A D H > S+ 0 0 95 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.879 110.6 57.8 -75.5 -26.3 -1.5 21.2 23.8 340 344 A A H > S+ 0 0 22 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.879 111.9 42.0 -62.6 -41.5 0.5 18.0 23.7 341 345 A I H >< S+ 0 0 0 -4,-2.2 3,-0.6 2,-0.2 4,-0.3 0.947 115.1 49.0 -68.2 -51.6 3.6 20.1 22.8 342 346 A A H >< S+ 0 0 9 -4,-2.5 3,-1.8 -5,-0.3 7,-0.2 0.919 103.0 63.3 -58.8 -37.5 2.7 22.8 25.3 343 347 A R H 3< S+ 0 0 182 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.903 110.8 37.7 -51.2 -45.1 2.2 20.1 28.0 344 348 A R T << S+ 0 0 81 -4,-1.0 -242,-0.5 -3,-0.6 -1,-0.3 0.243 114.2 55.3-101.3 25.8 5.9 19.1 27.7 345 349 A C <> + 0 0 0 -3,-1.8 4,-2.7 -4,-0.3 -1,-0.2 -0.227 61.7 149.3-146.3 57.9 7.3 22.6 27.1 346 350 A P H > S+ 0 0 73 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.744 70.8 51.9 -64.6 -34.0 6.0 24.4 30.2 347 351 A N H > S+ 0 0 54 2,-0.2 4,-2.7 3,-0.1 3,-0.4 0.966 111.8 46.9 -71.8 -43.9 8.8 26.8 30.6 348 352 A T H > S+ 0 0 0 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.960 107.2 58.7 -57.8 -45.1 8.5 27.9 27.0 349 353 A D H X S+ 0 0 48 -4,-2.7 4,-0.5 1,-0.3 -1,-0.2 0.808 115.0 35.1 -54.1 -38.5 4.7 28.2 27.4 350 354 A A H X S+ 0 0 38 -4,-1.4 4,-1.8 -3,-0.4 -1,-0.3 0.805 116.0 51.8 -82.5 -41.6 5.2 30.8 30.2 351 355 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 3,-0.3 0.946 102.5 63.9 -61.0 -40.4 8.3 32.6 28.8 352 356 A S H < S+ 0 0 0 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.834 118.0 26.5 -51.5 -34.0 6.4 33.0 25.5 353 357 A S H < S+ 0 0 26 -4,-0.5 -52,-0.3 -5,-0.3 -1,-0.3 0.687 126.1 47.3-100.8 -22.9 3.9 35.1 27.4 354 358 A D H < S+ 0 0 4 -4,-1.8 -61,-1.2 -3,-0.3 2,-0.3 0.401 83.8 96.8 -88.8 -34.5 6.2 36.5 30.3 355 359 A C E < -O 292 0G 0 -4,-2.0 -37,-1.9 -63,-0.2 2,-0.3 -0.673 40.8-176.8 -85.9 132.9 9.4 37.7 28.8 356 360 A V E -OP 291 317G 0 -65,-3.2 -65,-2.9 -2,-0.3 2,-0.3 -0.893 8.4-166.9-116.8 148.4 10.5 41.3 27.9 357 361 A W E -OP 290 316G 36 -41,-2.1 -41,-1.9 -2,-0.3 2,-0.4 -0.992 11.3-146.1-143.5 148.9 13.8 42.3 26.2 358 362 A L E -OP 289 315G 0 -69,-2.0 -69,-2.2 -2,-0.3 -43,-0.2 -0.908 38.1 -94.2-111.2 147.5 15.7 45.5 25.6 359 363 A H E > -O 288 0G 28 -45,-1.6 3,-2.4 -2,-0.4 4,-0.3 -0.374 33.9-120.5 -55.4 134.9 17.8 46.2 22.6 360 364 A H G > S+ 0 0 1 -73,-0.9 3,-1.1 1,-0.3 4,-0.2 0.636 107.8 77.0 -55.2 -19.9 21.5 45.4 23.3 361 365 A R G > S+ 0 0 63 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.641 83.2 65.0 -59.7 -30.5 22.3 49.1 22.5 362 366 A V G X S+ 0 0 0 -3,-2.4 3,-1.4 1,-0.2 -1,-0.3 0.815 93.6 61.2 -59.1 -35.5 20.9 49.9 25.9 363 367 A L G < S+ 0 0 0 -3,-1.1 -105,-0.3 -4,-0.3 -1,-0.2 0.508 98.1 57.0 -75.2 0.3 23.9 47.9 27.4 364 368 A L G < S+ 0 0 28 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.2 0.385 89.8 98.4 -98.4 -9.2 26.4 50.3 25.7 365 369 A A S < S- 0 0 4 -3,-1.4 2,-0.1 1,-0.1 -360,-0.1 -0.316 85.1 -90.1 -76.2 167.5 24.9 53.3 27.5 366 370 A G >> - 0 0 27 1,-0.1 3,-1.5 -2,-0.0 4,-1.3 -0.450 38.9-103.1 -70.3 161.0 26.3 54.8 30.7 367 371 A E H 3> S+ 0 0 73 1,-0.3 4,-2.9 2,-0.2 3,-0.4 0.920 117.5 61.3 -48.1 -45.7 25.3 53.6 34.2 368 372 A P H 3> S+ 0 0 88 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.899 104.1 48.2 -57.4 -35.9 23.0 56.6 34.8 369 373 A E H <> S+ 0 0 60 -3,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.856 108.7 54.9 -74.6 -29.8 20.8 55.7 31.9 370 374 A L H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.4 -1,-0.2 0.924 109.6 47.6 -64.0 -35.8 20.8 52.1 33.3 371 375 A H H X S+ 0 0 86 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.915 113.7 45.9 -69.3 -47.3 19.5 53.6 36.5 372 376 A A H X S+ 0 0 28 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.812 111.6 54.2 -62.9 -34.5 16.9 55.7 34.7 373 377 A T H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.910 107.7 48.5 -66.8 -47.4 15.9 52.7 32.7 374 378 A A H X S+ 0 0 9 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.855 109.9 51.6 -68.1 -29.1 15.3 50.5 35.8 375 379 A E H X S+ 0 0 123 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.904 108.9 51.1 -67.9 -44.0 13.2 53.2 37.4 376 380 A I H X S+ 0 0 38 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.936 114.7 44.6 -56.5 -41.3 11.0 53.5 34.3 377 381 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.807 108.8 55.2 -70.9 -38.6 10.6 49.8 34.4 378 382 A A H X S+ 0 0 38 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.902 111.5 45.2 -64.5 -44.7 9.9 49.6 38.2 379 383 A D H X S+ 0 0 86 -4,-2.2 4,-1.5 1,-0.2 3,-0.2 0.985 114.5 46.9 -61.0 -52.8 7.1 52.1 37.8 380 384 A A H X S+ 0 0 11 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.870 109.3 53.9 -60.4 -40.2 5.6 50.4 34.7 381 385 A V H >< S+ 0 0 15 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.904 102.8 57.1 -69.5 -24.7 5.8 46.9 36.3 382 386 A A H 3< S+ 0 0 87 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.902 112.7 42.8 -71.4 -34.6 3.9 48.0 39.4 383 387 A R H 3< 0 0 185 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.485 360.0 360.0 -88.0 -2.5 1.1 49.0 37.1 384 388 A A << 0 0 36 -3,-1.1 -84,-0.1 -4,-0.5 -83,-0.1 -0.345 360.0 360.0 -67.1 360.0 1.1 46.0 34.7