==== 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 OXIDOREDUCTASE 29-DEC-08 3FOB . COMPND 2 MOLECULE: BROMOPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR.; . AUTHOR J.OSIPIUK,M.GU,J.STAM,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR S . 830 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30175.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 617 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 99 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 8 1.0 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 . 73 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 6 0 3 3 0 0 0 0 7 5 3 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 6 3 6 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 . 3 0 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 2 1 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 A 0 0 54 0, 0.0 16,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 73.2 19.6 -32.6 82.9 2 3 A K E -A 16 0A 89 14,-0.2 2,-0.4 62,-0.0 14,-0.2 -0.964 360.0-151.0-129.6 150.0 16.6 -34.5 84.2 3 4 A I E -A 15 0A 12 12,-2.5 12,-2.8 -2,-0.3 2,-0.6 -0.959 18.4-135.0-112.2 131.7 16.1 -37.3 86.8 4 5 A T E +A 14 0A 65 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.771 32.4 165.3 -84.1 122.8 13.1 -39.6 86.4 5 6 A V E - 0 0 11 8,-2.7 2,-0.3 -2,-0.6 9,-0.2 0.415 55.8 -27.3-119.7 -4.0 11.6 -40.0 89.8 6 7 A G E -A 13 0A 21 7,-1.0 7,-2.7 2,-0.0 2,-0.3 -0.994 53.0-110.0 178.1-170.6 8.2 -41.6 89.1 7 8 A T E +A 12 0A 106 -2,-0.3 2,-0.3 5,-0.3 -3,-0.0 -0.993 20.5 175.1-150.9 147.8 5.3 -42.2 86.9 8 9 A E E > S+A 11 0A 35 3,-2.2 3,-2.7 -2,-0.3 567,-0.1 -0.981 75.5 2.3-149.8 142.4 1.7 -41.2 86.8 9 10 A N T 3 S- 0 0 36 -2,-0.3 -1,-0.1 1,-0.3 567,-0.0 0.836 131.3 -59.7 39.3 41.6 -1.0 -41.9 84.1 10 11 A Q T 3 S+ 0 0 166 1,-0.2 -1,-0.3 547,-0.0 -3,-0.0 0.536 115.7 106.9 74.1 7.8 1.7 -43.9 82.2 11 12 A A E < S-A 8 0A 14 -3,-2.7 -3,-2.2 564,-0.1 -1,-0.2 -0.933 71.4-108.7-123.3 143.0 4.2 -41.0 81.8 12 13 A P E -A 7 0A 48 0, 0.0 2,-0.5 0, 0.0 -5,-0.3 -0.300 20.1-133.5 -62.8 152.8 7.5 -40.4 83.7 13 14 A I E -A 6 0A 6 -7,-2.7 -8,-2.7 52,-0.1 -7,-1.0 -0.951 28.8-166.4-101.7 124.9 7.9 -37.7 86.3 14 15 A E E -A 4 0A 58 -2,-0.5 51,-2.9 -10,-0.2 2,-0.5 -0.929 12.1-153.8-113.1 141.0 11.1 -35.8 85.5 15 16 A I E -A 3 0A 2 -12,-2.8 -12,-2.5 -2,-0.4 2,-0.3 -0.939 14.0-140.7-113.3 128.8 12.9 -33.4 87.8 16 17 A Y E +A 2 0A 31 -2,-0.5 41,-2.5 41,-0.3 2,-0.3 -0.667 31.1 166.9 -84.0 140.0 15.2 -30.7 86.2 17 18 A Y E -B 56 0B 17 -16,-2.1 2,-0.3 -2,-0.3 39,-0.2 -0.972 27.7-145.1-148.3 161.6 18.4 -30.0 88.0 18 19 A E E -B 55 0B 30 37,-2.3 37,-2.0 -2,-0.3 2,-0.4 -0.958 8.7-164.9-126.9 148.6 21.7 -28.3 87.6 19 20 A D E +B 54 0B 9 -2,-0.3 2,-0.4 35,-0.2 35,-0.2 -0.955 17.0 175.5-139.6 107.7 25.0 -29.5 89.0 20 21 A H E -B 53 0B 15 33,-2.6 33,-3.3 -2,-0.4 2,-0.0 -0.957 35.7 -3.0-124.7 140.3 27.8 -27.0 89.0 21 22 A G S S- 0 0 13 -2,-0.4 2,-0.3 31,-0.2 31,-0.2 -0.197 71.9 -84.4 83.3-173.7 31.4 -27.0 90.3 22 23 A T S S+ 0 0 114 29,-0.4 2,-0.3 25,-0.2 -2,-0.0 -0.936 74.4 52.4-135.3 148.4 33.5 -29.5 92.3 23 24 A G S S+ 0 0 49 -2,-0.3 28,-0.2 28,-0.1 27,-0.1 -0.863 93.6 1.7 127.8-161.1 33.8 -30.2 96.0 24 25 A K E S-c 51 0B 40 26,-0.7 28,-2.1 -2,-0.3 2,-0.3 -0.442 80.4-113.9 -60.9 129.8 31.4 -31.0 98.9 25 26 A P E -c 52 0B 9 0, 0.0 68,-2.3 0, 0.0 2,-0.4 -0.516 31.0-174.0 -72.3 134.1 27.8 -31.1 97.5 26 27 A V E -cd 53 93B 0 26,-2.9 28,-2.7 -2,-0.3 2,-0.6 -0.999 10.2-157.0-126.7 119.5 25.3 -28.5 98.7 27 28 A V E -cd 54 94B 0 66,-2.9 68,-3.0 -2,-0.4 2,-0.5 -0.926 5.1-155.6-105.5 121.1 21.8 -29.1 97.5 28 29 A L E -cd 55 95B 0 26,-2.7 28,-0.9 -2,-0.6 2,-0.5 -0.869 4.9-162.4-104.4 121.9 19.6 -26.0 97.4 29 30 A I E -cd 56 96B 1 66,-2.8 68,-2.9 -2,-0.5 71,-0.2 -0.943 15.3-139.6-113.9 113.5 15.8 -26.5 97.6 30 31 A H - 0 0 0 26,-0.6 2,-0.1 -2,-0.5 6,-0.1 -0.061 10.8-119.3 -74.5 165.3 13.6 -23.6 96.5 31 32 A G > - 0 0 0 4,-0.2 3,-2.2 68,-0.1 67,-0.1 -0.392 50.3 -35.1 -96.7 177.4 10.4 -22.2 98.0 32 33 A W T 3 S- 0 0 7 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.557 115.5 -7.3 -83.2 144.3 6.8 -21.8 96.6 33 34 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 29,-0.2 -0.479 114.2 80.0-103.4 54.6 6.0 -21.2 93.9 34 35 A L < - 0 0 5 -3,-2.2 28,-0.4 27,-0.1 2,-0.3 0.331 62.2-127.7 -98.5-136.1 9.4 -20.5 92.3 35 36 A S > - 0 0 3 26,-0.1 3,-2.1 -3,-0.1 -4,-0.2 -0.946 43.1 -69.8-162.8-176.8 12.2 -22.8 91.0 36 37 A G G > S+ 0 0 6 -2,-0.3 3,-1.8 1,-0.3 21,-0.1 0.704 117.9 76.4 -60.1 -21.5 16.0 -23.4 91.3 37 38 A R G > S+ 0 0 36 1,-0.3 3,-1.3 2,-0.1 -1,-0.3 0.673 75.3 78.1 -66.0 -15.5 16.5 -20.1 89.5 38 39 A S G < S+ 0 0 17 -3,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.693 81.8 68.0 -66.6 -13.6 15.7 -18.4 92.8 39 40 A W G X> + 0 0 1 -3,-1.8 3,-2.2 1,-0.2 4,-2.0 0.257 60.7 123.5 -89.6 19.6 19.3 -19.3 93.9 40 41 A E T <4 S+ 0 0 23 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.782 74.7 46.6 -51.0 -38.1 21.0 -16.9 91.5 41 42 A Y T 34 S+ 0 0 39 -3,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.557 114.4 46.6 -85.8 -11.9 22.8 -15.1 94.2 42 43 A Q T <> S+ 0 0 0 -3,-2.2 4,-2.2 2,-0.1 5,-0.2 0.758 96.0 68.3 -94.3 -38.2 24.1 -18.1 96.1 43 44 A V H X S+ 0 0 17 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.933 100.0 46.2 -57.5 -48.4 25.4 -20.4 93.4 44 45 A P H > S+ 0 0 46 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.896 112.7 50.1 -66.1 -35.5 28.4 -18.4 92.3 45 46 A A H > S+ 0 0 26 -4,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.897 113.5 46.9 -67.6 -37.2 29.6 -17.7 95.9 46 47 A L H <>S+ 0 0 2 -4,-2.2 5,-2.1 2,-0.2 4,-0.3 0.924 112.9 47.6 -70.3 -46.2 29.3 -21.4 96.8 47 48 A V H ><5S+ 0 0 21 -4,-3.0 3,-1.9 -5,-0.2 -25,-0.2 0.952 112.3 50.4 -60.6 -45.0 31.1 -22.6 93.7 48 49 A E H 3<5S+ 0 0 165 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.861 104.6 57.5 -62.6 -33.2 33.9 -20.1 94.3 49 50 A A T 3<5S- 0 0 50 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.433 128.3 -96.0 -76.6 0.6 34.2 -21.2 97.9 50 51 A G T < 5S+ 0 0 39 -3,-1.9 -26,-0.7 1,-0.3 2,-0.3 0.768 81.5 128.9 90.8 31.1 34.9 -24.8 96.6 51 52 A Y E < - c 0 24B 24 -5,-2.1 2,-0.5 -28,-0.2 -29,-0.4 -0.788 57.4-127.4-114.1 153.8 31.5 -26.4 96.9 52 53 A R E - c 0 25B 53 -28,-2.1 -26,-2.9 -2,-0.3 2,-0.6 -0.925 30.1-151.1 -94.8 126.7 29.6 -28.4 94.3 53 54 A V E -Bc 20 26B 0 -33,-3.3 -33,-2.6 -2,-0.5 2,-0.5 -0.917 14.3-173.1-116.4 116.4 26.1 -26.8 94.0 54 55 A I E +Bc 19 27B 0 -28,-2.7 -26,-2.7 -2,-0.6 2,-0.4 -0.960 6.1 178.5-107.2 123.7 23.0 -28.8 93.0 55 56 A T E -Bc 18 28B 8 -37,-2.0 -37,-2.3 -2,-0.5 2,-0.3 -0.898 5.2-179.2-114.7 149.3 19.7 -27.0 92.4 56 57 A Y E -Bc 17 29B 5 -28,-0.9 2,-0.6 -2,-0.4 -26,-0.6 -0.985 28.0-118.7-143.2 160.6 16.5 -28.7 91.3 57 58 A D - 0 0 4 -41,-2.5 -41,-0.3 -2,-0.3 3,-0.1 -0.881 34.0-120.9 -97.9 122.4 13.0 -27.7 90.5 58 59 A R > - 0 0 2 -2,-0.6 3,-2.5 1,-0.1 6,-0.3 -0.184 46.7 -80.9 -54.7 142.3 10.3 -29.3 92.7 59 60 A R T 3 S+ 0 0 12 1,-0.3 7,-0.2 11,-0.1 -1,-0.1 -0.279 122.9 24.8 -48.2 135.9 7.8 -31.4 90.8 60 61 A G T 3 S+ 0 0 0 5,-2.9 133,-3.2 1,-0.2 2,-0.3 0.322 112.2 88.6 90.3 -13.5 5.2 -29.0 89.3 61 62 A F S X S- 0 0 0 -3,-2.5 3,-2.2 131,-0.2 -1,-0.2 -0.820 85.6 -17.1-122.4 158.2 7.7 -26.1 89.2 62 63 A G T 3 S- 0 0 26 -28,-0.4 -27,-0.1 126,-0.4 -3,-0.0 -0.264 124.9 -19.9 53.2-122.4 10.3 -24.6 86.9 63 64 A K T 3 S+ 0 0 86 -47,-0.1 -1,-0.3 129,-0.0 -46,-0.1 0.315 110.0 107.1-104.4 7.2 11.4 -27.0 84.2 64 65 A S S < S- 0 0 8 -3,-2.2 -49,-0.2 -6,-0.3 -6,-0.1 -0.278 81.6 -77.4 -81.0 166.3 10.2 -30.2 86.0 65 66 A S - 0 0 21 -51,-2.9 -5,-2.9 1,-0.1 -4,-0.2 -0.187 34.7-139.0 -57.3 154.9 7.2 -32.3 85.0 66 67 A Q + 0 0 9 -7,-0.2 -1,-0.1 -6,-0.1 129,-0.1 -0.649 33.8 169.3-118.2 74.7 3.7 -31.1 86.0 67 68 A P - 0 0 8 0, 0.0 129,-0.2 0, 0.0 128,-0.1 -0.108 40.7-120.4 -73.0 179.9 1.8 -34.2 87.2 68 69 A W S S+ 0 0 28 507,-0.3 3,-0.2 127,-0.1 2,-0.2 0.806 88.1 33.5 -90.1 -37.1 -1.6 -34.3 89.0 69 70 A E S S+ 0 0 110 1,-0.1 3,-0.0 508,-0.0 127,-0.0 -0.567 79.0 70.1-117.3 177.8 -0.5 -36.0 92.2 70 71 A G + 0 0 6 -2,-0.2 2,-1.8 1,-0.1 6,-0.1 0.510 51.9 137.2 96.3 6.2 2.4 -36.2 94.5 71 72 A Y + 0 0 7 -3,-0.2 2,-0.3 4,-0.1 132,-0.2 -0.386 47.6 86.6 -87.5 61.7 2.2 -32.7 95.9 72 73 A E S > S- 0 0 75 -2,-1.8 4,-2.6 131,-0.1 3,-0.4 -0.947 89.4 -99.4-153.1 165.7 2.9 -33.7 99.6 73 74 A Y H > S+ 0 0 3 -2,-0.3 4,-1.9 1,-0.3 5,-0.2 0.712 114.0 60.9 -75.0 -22.8 6.0 -34.2 101.6 74 75 A D H > S+ 0 0 105 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.955 115.4 36.6 -62.8 -46.6 6.3 -37.9 101.4 75 76 A T H > S+ 0 0 33 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.892 115.0 53.9 -72.0 -44.2 6.5 -37.7 97.6 76 77 A F H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.891 111.8 46.5 -58.7 -36.4 8.6 -34.5 97.6 77 78 A T H X S+ 0 0 2 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.884 109.5 53.1 -77.2 -31.5 11.1 -36.1 99.9 78 79 A S H X S+ 0 0 43 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.890 107.5 51.9 -63.5 -43.4 11.1 -39.3 97.8 79 80 A D H X S+ 0 0 5 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.947 110.0 49.5 -57.7 -46.5 11.9 -37.1 94.8 80 81 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.941 108.7 53.6 -58.4 -41.9 14.8 -35.5 96.7 81 82 A H H X S+ 0 0 39 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.916 107.7 49.9 -63.2 -43.0 16.0 -39.0 97.7 82 83 A Q H X S+ 0 0 61 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.879 108.2 52.9 -64.2 -34.7 16.1 -40.1 94.1 83 84 A L H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.956 112.4 44.7 -62.8 -47.0 18.1 -37.0 93.1 84 85 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.4 0.930 117.0 46.3 -63.1 -44.0 20.7 -37.9 95.9 85 86 A E H ><5S+ 0 0 87 -4,-3.0 3,-0.7 3,-0.2 -1,-0.2 0.913 113.5 47.3 -63.8 -47.5 20.7 -41.5 94.8 86 87 A Q H 3<5S+ 0 0 78 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.863 117.1 41.5 -67.0 -33.8 21.0 -40.9 91.1 87 88 A L T 3<5S- 0 0 7 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.450 105.5-132.0 -93.7 1.3 23.8 -38.3 91.5 88 89 A E T < 5 - 0 0 133 -3,-0.7 2,-0.3 -4,-0.4 -3,-0.2 0.853 36.7-174.5 52.1 44.7 25.4 -40.6 94.1 89 90 A L < - 0 0 0 -5,-2.2 2,-0.3 -6,-0.2 3,-0.2 -0.516 7.0-178.1 -81.3 129.2 25.8 -37.6 96.5 90 91 A Q + 0 0 115 -2,-0.3 25,-0.1 1,-0.2 26,-0.1 -0.888 61.8 19.0-118.7 155.2 27.8 -38.2 99.7 91 92 A N S S+ 0 0 73 -2,-0.3 25,-0.2 23,-0.3 2,-0.2 0.891 89.1 179.1 57.0 42.1 28.6 -35.8 102.6 92 93 A V E - e 0 116B 0 23,-2.9 25,-3.6 -3,-0.2 26,-0.8 -0.452 30.7-149.2 -82.6 145.1 25.8 -33.5 101.5 93 94 A T E -de 26 118B 0 -68,-2.3 -66,-2.9 24,-0.2 2,-0.5 -0.951 16.1-153.2-103.9 131.6 24.5 -30.2 102.9 94 95 A L E -de 27 119B 0 24,-1.7 26,-2.6 -2,-0.5 2,-0.6 -0.940 8.2-169.1-102.0 129.7 20.8 -29.6 102.4 95 96 A V E -de 28 120B 0 -68,-3.0 -66,-2.8 -2,-0.5 2,-0.6 -0.956 5.6-170.2-118.7 112.1 19.6 -26.0 102.3 96 97 A G E -de 29 121B 0 24,-2.6 26,-3.0 -2,-0.6 2,-0.5 -0.903 5.4-160.4-107.8 121.8 15.8 -25.7 102.3 97 98 A F E > - e 0 122B 3 -68,-2.9 3,-2.8 -2,-0.6 26,-0.2 -0.848 61.1 -43.3 -99.3 133.3 14.3 -22.2 101.7 98 99 A S T > S+ 0 0 10 24,-2.2 3,-2.0 -2,-0.5 27,-1.5 -0.254 141.2 9.1 49.2-120.7 10.7 -21.7 102.9 99 100 A X T >> S+ 0 0 0 1,-0.3 3,-1.5 25,-0.2 4,-0.6 0.774 121.0 73.9 -59.1 -20.5 8.7 -24.9 102.0 100 101 A G H <> S+ 0 0 0 -3,-2.8 4,-1.5 1,-0.3 -1,-0.3 0.732 81.6 70.6 -64.0 -21.0 12.1 -26.5 101.0 101 102 A G H <> S+ 0 0 0 -3,-2.0 4,-2.7 1,-0.2 -1,-0.3 0.803 90.4 62.9 -60.6 -28.2 12.8 -26.8 104.8 102 103 A G H <> S+ 0 0 0 -3,-1.5 4,-2.6 -4,-0.4 5,-0.2 0.925 100.5 47.6 -63.8 -45.3 10.1 -29.4 104.7 103 104 A E H X S+ 0 0 1 -4,-0.6 4,-2.2 2,-0.2 5,-0.2 0.883 112.1 52.8 -61.3 -37.1 12.0 -31.7 102.4 104 105 A V H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 5,-0.2 0.982 112.8 43.0 -60.5 -54.8 15.1 -31.1 104.8 105 106 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.938 118.5 43.6 -55.5 -52.7 13.1 -32.1 107.9 106 107 A R H X S+ 0 0 37 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.801 109.0 57.1 -69.2 -33.8 11.4 -35.1 106.3 107 108 A Y H X>S+ 0 0 5 -4,-2.2 4,-2.9 -5,-0.2 5,-0.7 0.932 109.6 44.7 -60.4 -49.0 14.5 -36.4 104.5 108 109 A I H X5S+ 0 0 5 -4,-2.0 4,-1.2 -5,-0.2 -2,-0.2 0.935 116.7 47.0 -64.8 -41.4 16.5 -36.6 107.8 109 110 A S H <5S+ 0 0 36 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.900 123.4 31.5 -62.9 -46.0 13.5 -38.2 109.5 110 111 A T H <5S+ 0 0 79 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.895 132.6 25.7 -85.3 -40.6 12.7 -40.8 106.8 111 112 A Y H <5S- 0 0 85 -4,-2.9 3,-0.3 -5,-0.3 -3,-0.2 0.530 100.1-134.3-106.8 -12.2 16.1 -41.6 105.2 112 113 A G << - 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