==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-SEP-03 1R0Q . COMPND 2 MOLECULE: CYTOCHROME C-552; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.A.FEE,T.R.TODARO,E.LUNA,D.SANDERS,L.M.HUNSICKER-WANG, . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7233.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 7.7 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 1 1 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 92 0, 0.0 2,-0.9 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0 141.0 39.1 20.0 -11.9 2 3 A D > - 0 0 89 1,-0.2 4,-2.6 2,-0.0 5,-0.3 -0.801 360.0-167.6-106.3 103.5 38.6 17.4 -9.2 3 4 A G H > S+ 0 0 9 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.857 84.8 56.6 -63.3 -30.2 35.1 17.6 -7.9 4 5 A A H > S+ 0 0 47 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 111.4 42.7 -63.7 -43.3 35.8 15.4 -4.8 5 6 A K H > S+ 0 0 85 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.925 113.9 51.5 -70.8 -39.4 38.6 17.6 -3.6 6 7 A I H < S+ 0 0 13 -4,-2.6 3,-0.3 1,-0.2 4,-0.2 0.958 112.7 45.4 -61.0 -48.1 36.6 20.8 -4.4 7 8 A Y H >< S+ 0 0 12 -4,-2.6 3,-2.7 2,-0.3 -1,-0.2 0.918 106.8 59.3 -61.0 -37.8 33.6 19.5 -2.4 8 9 A A H >< S+ 0 0 41 -4,-2.2 3,-1.2 1,-0.4 -1,-0.2 0.891 104.0 52.0 -57.5 -40.0 35.9 18.4 0.4 9 10 A Q T 3< S+ 0 0 158 -4,-1.7 -1,-0.4 -3,-0.3 -2,-0.3 0.410 118.7 36.6 -73.2 -10.1 37.0 22.0 0.8 10 11 A C T < S+ 0 0 41 -3,-2.7 3,-0.5 -4,-0.2 4,-0.4 -0.390 87.4 103.9-127.2 29.8 33.4 23.1 1.0 11 12 A A <> + 0 0 4 -3,-1.2 4,-1.8 1,-0.2 7,-0.1 0.353 41.3 104.7 -94.7 7.6 31.9 20.2 2.9 12 13 A G T 4 S+ 0 0 64 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.722 91.6 31.2 -64.4 -19.3 31.5 21.8 6.4 13 14 A C T 4 S+ 0 0 55 -3,-0.5 -1,-0.2 2,-0.1 12,-0.1 0.873 127.1 32.4-103.9 -59.0 27.8 22.2 5.9 14 15 A H T 4 S- 0 0 31 -4,-0.4 6,-2.8 6,-0.1 14,-0.3 0.673 110.4-130.7 -77.4 -12.0 26.4 19.3 3.8 15 16 A Q >< - 0 0 59 -4,-1.8 3,-1.8 3,-0.2 -3,-0.1 0.301 20.9 -80.3 82.7 156.8 29.1 17.1 5.3 16 17 A Q T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 -4,-0.1 0.849 131.5 49.8 -62.3 -31.3 31.6 14.8 3.7 17 18 A N T 3 S- 0 0 70 -6,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.435 107.8-126.9 -86.4 1.0 28.9 12.0 3.4 18 19 A G S < S+ 0 0 0 -3,-1.8 10,-3.2 -7,-0.1 11,-2.4 0.568 77.8 117.2 71.0 7.1 26.5 14.5 1.8 19 20 A Q - 0 0 124 8,-0.2 -4,-0.2 1,-0.2 -1,-0.1 0.579 61.1-152.2 -92.4 -2.3 23.8 13.7 4.3 20 21 A G - 0 0 9 -6,-2.8 -1,-0.2 6,-0.2 -6,-0.1 -0.193 23.2 -70.9 75.5-166.0 23.6 17.2 5.7 21 22 A I B >> -A 25 0A 69 4,-2.4 4,-2.2 -6,-0.0 3,-1.4 -0.991 50.3-106.9-133.9 124.2 22.6 18.2 9.3 22 23 A P T 34 S+ 0 0 115 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.142 100.6 0.9 -55.3 137.3 19.0 18.0 10.4 23 24 A G T 34 S+ 0 0 55 1,-0.2 42,-0.5 40,-0.1 0, 0.0 0.044 135.2 53.2 76.6 -28.4 17.3 21.4 10.6 24 25 A A T <4 S+ 0 0 43 -3,-1.4 -1,-0.2 1,-0.3 41,-0.1 0.883 110.0 18.9-106.9 -55.0 20.4 23.2 9.5 25 26 A F B < S-A 21 0A 80 -4,-2.2 -4,-2.4 -12,-0.1 -1,-0.3 -0.977 78.8-125.3-128.1 116.0 22.0 22.0 6.2 26 27 A P - 0 0 27 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.240 30.5-102.2 -69.0 155.1 19.9 20.0 3.8 27 28 A P - 0 0 17 0, 0.0 -8,-0.2 0, 0.0 -12,-0.1 -0.451 27.1-173.0 -68.9 148.2 21.1 16.6 2.6 28 29 A L >> + 0 0 26 -10,-3.2 4,-2.4 -14,-0.3 3,-2.4 0.706 65.0 87.4-102.1 -48.3 22.6 16.3 -0.9 29 30 A A T 34 S+ 0 0 22 -11,-2.4 62,-0.1 1,-0.3 58,-0.1 -0.290 109.8 3.0 -53.0 126.0 22.8 12.5 -0.9 30 31 A G T 34 S+ 0 0 18 60,-0.1 -1,-0.3 1,-0.1 4,-0.2 0.297 125.7 71.8 78.2 -11.8 19.6 11.1 -2.1 31 32 A H T <> S+ 0 0 10 -3,-2.4 4,-1.7 2,-0.1 3,-0.3 0.694 78.2 68.5-110.0 -26.9 18.2 14.6 -2.7 32 33 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.936 98.2 56.8 -55.8 -40.9 20.2 15.7 -5.8 33 34 A A H > S+ 0 0 8 -5,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.872 102.3 55.3 -58.3 -34.8 18.2 13.0 -7.7 34 35 A E H 4 S+ 0 0 75 -3,-0.3 4,-0.3 -4,-0.2 -1,-0.2 0.896 111.5 43.0 -65.4 -39.5 15.0 14.7 -6.7 35 36 A I H >< S+ 0 0 9 -4,-1.7 3,-1.8 -3,-0.2 -2,-0.2 0.917 111.5 54.1 -71.3 -43.4 16.0 18.0 -8.1 36 37 A L H 3< S+ 0 0 22 -4,-2.9 6,-0.3 1,-0.3 5,-0.2 0.805 98.5 64.2 -62.3 -26.7 17.5 16.4 -11.2 37 38 A A T 3< S+ 0 0 77 -4,-1.6 2,-0.3 -5,-0.2 -1,-0.3 0.657 89.7 86.1 -73.9 -11.6 14.1 14.7 -11.9 38 39 A K S X S- 0 0 81 -3,-1.8 3,-2.2 -4,-0.3 4,-0.4 -0.656 92.4-109.8 -85.6 142.5 12.6 18.1 -12.3 39 40 A E T 3 S+ 0 0 190 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.1 -0.591 112.9 22.3 -65.6 127.6 12.7 19.9 -15.7 40 41 A G T 3> S+ 0 0 28 -2,-0.3 4,-2.1 -4,-0.1 -1,-0.3 0.291 90.8 119.6 90.3 -5.8 15.1 22.8 -15.1 41 42 A G H <> + 0 0 0 -3,-2.2 4,-2.3 -5,-0.2 -5,-0.2 0.902 69.4 52.9 -59.3 -44.1 16.7 20.9 -12.2 42 43 A R H > S+ 0 0 52 -4,-0.4 4,-1.6 -6,-0.3 -1,-0.2 0.922 111.8 46.3 -54.7 -46.5 20.2 20.8 -13.7 43 44 A E H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.922 108.7 56.1 -65.3 -39.3 20.2 24.5 -14.2 44 45 A Y H X S+ 0 0 9 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.915 104.5 53.0 -59.7 -45.3 18.8 25.1 -10.7 45 46 A L H X S+ 0 0 12 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.881 109.5 48.6 -61.4 -38.4 21.8 23.3 -9.2 46 47 A I H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.929 109.1 53.5 -66.1 -42.7 24.2 25.4 -11.2 47 48 A L H X S+ 0 0 11 -4,-2.5 4,-3.1 1,-0.2 5,-0.4 0.881 104.7 54.5 -58.6 -42.1 22.4 28.6 -10.0 48 49 A V H X S+ 0 0 14 -4,-2.4 4,-2.4 1,-0.2 23,-0.3 0.936 111.8 44.3 -57.9 -46.6 22.7 27.6 -6.4 49 50 A L H < S+ 0 0 24 -4,-1.6 22,-2.9 -5,-0.2 -2,-0.2 0.922 119.8 40.6 -64.9 -39.6 26.4 27.2 -6.7 50 51 A L H < S+ 0 0 0 -4,-2.6 22,-0.6 20,-0.2 -2,-0.2 0.886 133.6 16.9 -74.1 -35.3 26.9 30.4 -8.7 51 52 A Y H < S- 0 0 16 -4,-3.1 19,-0.3 1,-0.3 -3,-0.2 0.496 95.4-127.5-123.0 -7.3 24.5 32.6 -6.8 52 53 A G < - 0 0 0 -4,-2.4 2,-0.3 -5,-0.4 -1,-0.3 -0.299 21.4-109.6 84.5-177.3 23.6 31.2 -3.4 53 54 A L E +B 68 0B 22 15,-1.9 15,-3.0 67,-0.1 2,-0.3 -0.988 28.0 173.7-156.2 150.0 20.2 30.5 -1.9 54 55 A Q E +B 67 0B 66 63,-0.7 13,-0.2 -2,-0.3 2,-0.1 -0.954 33.8 60.9-152.1 165.9 17.9 31.7 0.9 55 56 A G E S-B 66 0B 19 11,-0.9 11,-0.5 -2,-0.3 2,-0.3 -0.140 83.6 -44.5 105.8 167.5 14.4 31.2 2.1 56 57 A Q E +B 65 0B 120 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.595 61.8 166.9 -73.0 130.4 12.2 28.5 3.6 57 58 A I E -B 64 0B 13 7,-2.1 7,-2.8 -2,-0.3 2,-0.4 -0.926 29.0-131.9-139.0 157.7 12.4 25.2 1.7 58 59 A E E +B 63 0B 95 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.946 20.8 178.2-112.5 132.7 11.4 21.6 2.4 59 60 A V E > S-B 62 0B 2 3,-2.6 3,-2.0 -2,-0.4 -28,-0.0 -0.957 76.2 -14.2-135.9 119.0 13.7 18.6 1.9 60 61 A K T 3 S- 0 0 115 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.879 128.5 -57.5 60.2 36.6 12.6 15.1 2.7 61 62 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.351 114.9 117.7 74.9 -5.6 9.6 16.6 4.5 62 63 A M E < -B 59 0B 109 -3,-2.0 -3,-2.6 1,-0.0 2,-0.4 -0.694 63.1-121.1 -93.9 148.6 11.9 18.6 6.8 63 64 A K E -B 58 0B 100 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.697 26.0-177.2 -93.4 137.2 12.0 22.5 6.9 64 65 A Y E +B 57 0B 14 -7,-2.8 -7,-2.1 -2,-0.4 -40,-0.1 -0.971 10.9 175.2-126.3 142.9 15.1 24.5 6.3 65 66 A N E +B 56 0B 105 -42,-0.5 -9,-0.2 -2,-0.4 2,-0.1 -0.418 40.8 117.3-146.9 64.9 15.3 28.2 6.6 66 67 A G E -B 55 0B 40 -11,-0.5 -11,-0.9 -9,-0.0 2,-0.4 -0.390 56.2-112.5-117.0-165.6 18.9 29.1 6.0 67 68 A V E -B 54 0B 116 -13,-0.2 2,-0.4 -2,-0.1 -13,-0.2 -0.996 16.3-163.4-132.6 138.1 21.2 30.9 3.7 68 69 A M E -B 53 0B 45 -15,-3.0 -15,-1.9 -2,-0.4 2,-0.1 -0.986 22.6-126.5-121.9 137.4 23.9 29.5 1.4 69 70 A S - 0 0 78 -2,-0.4 -17,-0.3 -17,-0.2 2,-0.2 -0.350 28.7 -97.0 -72.2 157.0 26.6 31.8 -0.0 70 71 A S - 0 0 41 -19,-0.3 -20,-0.2 -18,-0.1 -19,-0.2 -0.466 25.7-164.6 -62.4 142.0 27.5 32.2 -3.7 71 72 A F > + 0 0 63 -22,-2.9 3,-2.1 -23,-0.3 -21,-0.1 -0.084 44.8 130.5-118.2 35.9 30.4 30.1 -4.8 72 73 A A T 3 + 0 0 32 -22,-0.6 -1,-0.1 1,-0.3 -22,-0.1 0.626 56.1 79.5 -66.1 -12.0 31.0 32.0 -8.1 73 74 A Q T 3 S+ 0 0 137 -3,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.734 77.5 91.2 -68.4 -15.4 34.7 32.3 -7.2 74 75 A L S < S- 0 0 29 -3,-2.1 -3,-0.1 -25,-0.2 5,-0.0 -0.603 87.6-115.7 -72.5 139.1 34.8 28.7 -8.5 75 76 A K > - 0 0 148 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.282 27.4-104.0 -70.3 163.2 35.6 28.4 -12.2 76 77 A D H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.894 124.5 49.6 -52.0 -44.7 33.0 27.1 -14.6 77 78 A E H > S+ 0 0 115 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.864 110.7 49.7 -63.3 -34.7 35.0 23.8 -14.8 78 79 A E H > S+ 0 0 51 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.868 109.4 49.9 -76.8 -35.3 35.2 23.6 -11.0 79 80 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.933 111.3 50.4 -67.1 -40.5 31.5 24.2 -10.5 80 81 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.3 22,-0.3 0.945 111.2 49.5 -54.4 -47.9 30.8 21.5 -13.1 81 82 A A H X S+ 0 0 13 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.895 110.7 47.5 -64.6 -41.7 33.2 19.1 -11.3 82 83 A V H X S+ 0 0 10 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.910 111.4 51.1 -71.1 -34.7 31.6 19.6 -7.8 83 84 A L H X S+ 0 0 1 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.895 108.6 51.7 -67.9 -35.8 28.1 19.2 -9.2 84 85 A N H X S+ 0 0 36 -4,-2.3 4,-1.3 -5,-0.2 5,-0.2 0.896 109.3 52.2 -63.7 -36.8 29.2 15.9 -10.8 85 86 A H H >X S+ 0 0 38 -4,-2.0 4,-3.6 2,-0.2 3,-0.6 0.961 112.0 42.6 -62.4 -51.0 30.6 14.8 -7.4 86 87 A I H 3< S+ 0 0 10 -4,-2.6 4,-0.4 1,-0.2 6,-0.3 0.810 114.7 53.5 -70.5 -21.7 27.3 15.5 -5.6 87 88 A A H 3< S+ 0 0 0 -4,-1.8 6,-2.9 -5,-0.2 -1,-0.2 0.727 125.9 20.1 -78.5 -22.1 25.4 13.9 -8.4 88 89 A T H X< S+ 0 0 79 -4,-1.3 3,-1.5 -3,-0.6 -2,-0.2 0.701 101.7 80.1-119.3 -26.8 27.5 10.7 -8.3 89 90 A A T 3< S+ 0 0 44 -4,-3.6 -3,-0.1 1,-0.3 -2,-0.1 0.775 108.5 29.4 -62.7 -29.0 29.2 10.3 -5.0 90 91 A W T 3 S- 0 0 65 -4,-0.4 -1,-0.3 -5,-0.3 -60,-0.1 0.053 120.2 -96.8-118.4 25.0 26.1 9.0 -3.2 91 92 A G S X S+ 0 0 22 -3,-1.5 3,-1.1 -62,-0.1 4,-0.3 0.588 79.7 134.1 84.3 9.0 24.3 7.3 -6.2 92 93 A D G >> + 0 0 0 1,-0.3 3,-1.9 -6,-0.3 4,-0.7 0.928 69.2 53.0 -65.4 -40.8 22.0 10.1 -7.1 93 94 A A G 34 S+ 0 0 14 -6,-2.9 -1,-0.3 1,-0.3 -5,-0.1 0.736 94.1 74.3 -67.2 -15.3 22.6 10.0 -10.8 94 95 A K G <4 S+ 0 0 191 -3,-1.1 -1,-0.3 -7,-0.2 -2,-0.2 0.576 96.6 50.1 -73.0 -6.1 21.8 6.3 -10.8 95 96 A K T <4 S+ 0 0 113 -3,-1.9 -2,-0.2 -4,-0.3 3,-0.1 0.914 92.9 73.4 -89.6 -71.4 18.1 7.1 -10.4 96 97 A V S < S- 0 0 31 -4,-0.7 2,-0.4 1,-0.1 3,-0.1 -0.054 99.7 -95.8 -40.6 137.5 17.3 9.7 -13.1 97 98 A K S S- 0 0 212 1,-0.1 -1,-0.1 -60,-0.0 -2,-0.1 -0.509 90.3 -19.3 -74.1 121.0 17.2 8.1 -16.5 98 99 A G S S- 0 0 66 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.1 0.881 78.8-144.5 50.3 109.4 20.5 8.4 -18.4 99 100 A F - 0 0 45 -3,-0.1 -1,-0.1 -6,-0.1 -6,-0.0 -0.841 8.6-153.9-107.7 138.0 22.6 11.1 -16.8 100 101 A K - 0 0 149 -2,-0.4 3,-0.1 3,-0.0 0, 0.0 -0.951 29.4-115.0-106.7 126.6 24.9 13.5 -18.6 101 102 A P - 0 0 79 0, 0.0 2,-0.1 0, 0.0 -20,-0.1 -0.172 37.3 -96.7 -52.7 147.4 27.8 14.9 -16.5 102 103 A F - 0 0 7 -22,-0.3 2,-0.3 -23,-0.1 -18,-0.1 -0.391 45.2-157.3 -60.3 145.6 27.7 18.7 -15.9 103 104 A T >> - 0 0 67 -3,-0.1 4,-1.1 -2,-0.1 3,-1.0 -0.907 28.1-111.8-131.1 154.7 30.0 20.7 -18.3 104 105 A A H 3> S+ 0 0 25 -2,-0.3 4,-3.0 1,-0.2 3,-0.5 0.837 112.9 59.3 -51.0 -42.0 31.7 24.0 -18.3 105 106 A E H 3> S+ 0 0 125 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.829 100.4 56.2 -67.6 -27.8 29.4 25.5 -21.0 106 107 A E H <> S+ 0 0 30 -3,-1.0 4,-1.0 2,-0.2 -1,-0.3 0.869 112.8 42.0 -64.3 -37.6 26.3 24.9 -18.9 107 108 A V H X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.5 3,-0.4 0.928 110.7 55.9 -76.5 -44.0 27.9 26.9 -16.1 108 109 A K H X S+ 0 0 100 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.914 105.6 51.7 -51.9 -45.3 29.2 29.6 -18.4 109 110 A K H < S+ 0 0 124 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.853 112.6 44.8 -68.5 -28.6 25.8 30.3 -19.9 110 111 A L H >< S+ 0 0 29 -4,-1.0 3,-1.6 -3,-0.4 -1,-0.2 0.817 105.4 60.6 -83.3 -27.6 24.2 30.7 -16.4 111 112 A R H 3< S+ 0 0 81 -4,-2.4 3,-0.2 1,-0.3 -1,-0.2 0.788 92.1 71.1 -64.2 -25.8 27.1 32.9 -15.1 112 113 A A T 3< S+ 0 0 88 -4,-1.2 2,-0.4 -5,-0.2 -1,-0.3 0.574 98.5 49.7 -71.4 -6.5 26.2 35.3 -18.0 113 114 A K S < S- 0 0 141 -3,-1.6 -1,-0.2 -4,-0.1 2,-0.1 -0.758 84.7-148.1-133.3 91.3 23.0 36.2 -16.1 114 115 A K - 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