==== 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 10-JAN-00 1DT1 . COMPND 2 MOLECULE: CYTOCHROME C552; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.A.FEE,Y.CHEN,M.J.HILL,E.GOMEZ-MORAN,T.LOEHR,J.AI,L.THONY-M . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 66.7 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 . 9 7.0 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 . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 36.4 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 0 0 1 0 1 1 1 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A D > 0 0 140 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 177.3 38.9 16.8 -9.0 2 4 A G H > + 0 0 12 1,-0.3 4,-2.3 2,-0.2 83,-0.1 0.872 360.0 55.5 -60.7 -39.4 35.3 17.1 -7.8 3 5 A A H > S+ 0 0 51 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.889 107.6 50.2 -62.3 -36.3 35.9 15.3 -4.6 4 6 A K H >4 S+ 0 0 118 -3,-0.3 3,-1.2 1,-0.2 4,-0.3 0.940 109.9 49.5 -66.9 -43.0 38.6 17.8 -3.8 5 7 A I H >< S+ 0 0 7 -4,-2.1 3,-2.5 1,-0.3 4,-0.2 0.893 99.3 68.1 -59.5 -37.8 36.4 20.8 -4.5 6 8 A Y H >X S+ 0 0 6 -4,-2.3 3,-2.7 1,-0.3 4,-1.6 0.769 79.6 77.6 -61.6 -18.4 33.7 19.3 -2.3 7 9 A A H S+ 0 0 27 -3,-2.7 4,-2.3 -4,-0.2 3,-1.3 0.562 95.6 81.7-112.3 -22.1 31.2 22.2 0.9 10 12 A A H 3X S+ 0 0 5 -4,-1.6 4,-1.5 1,-0.3 5,-0.2 0.746 76.1 70.6 -67.0 -29.2 31.8 19.4 3.5 11 13 A G H 3< S+ 0 0 65 -4,-0.6 -1,-0.3 3,-0.2 -2,-0.1 0.862 119.3 19.0 -56.6 -33.0 31.9 21.7 6.5 12 14 A C H <4 S+ 0 0 55 -3,-1.3 -2,-0.2 2,-0.1 12,-0.1 0.880 133.7 36.7-102.2 -59.9 28.1 22.2 6.0 13 15 A H H < S- 0 0 29 -4,-2.3 6,-2.2 6,-0.1 14,-0.3 0.579 109.2-129.3 -77.9 -7.5 26.8 19.4 3.8 14 16 A Q >< - 0 0 58 -4,-1.5 3,-1.8 -5,-0.4 -3,-0.2 0.314 21.6 -79.7 78.6 156.5 29.1 16.9 5.5 15 17 A Q T 3 S+ 0 0 151 1,-0.3 -1,-0.1 -5,-0.2 -4,-0.1 0.824 132.0 45.2 -60.9 -31.4 31.6 14.4 4.2 16 18 A N T 3 S- 0 0 68 -6,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.333 109.1-123.1 -96.6 8.6 28.8 11.9 3.5 17 19 A G S < S+ 0 0 0 -3,-1.8 10,-3.0 1,-0.1 11,-2.9 0.638 78.9 120.8 63.7 14.5 26.6 14.6 1.9 18 20 A Q - 0 0 122 8,-0.2 -4,-0.2 9,-0.2 -1,-0.1 0.577 59.3-152.4 -91.2 -4.8 23.8 13.8 4.4 19 21 A G - 0 0 9 -6,-2.2 -1,-0.2 6,-0.2 -6,-0.1 -0.127 23.6 -72.9 77.6-173.0 23.7 17.3 5.8 20 22 A I B >> -A 24 0A 68 4,-2.6 4,-2.2 -6,-0.0 3,-1.7 -0.994 52.0-105.2-128.9 128.7 22.7 18.4 9.2 21 23 A P T 34 S- 0 0 99 0, 0.0 -2,-0.1 0, 0.0 42,-0.0 -0.151 100.6 -1.6 -56.9 130.3 19.0 18.3 10.1 22 24 A G T 34 S+ 0 0 45 1,-0.2 42,-0.5 2,-0.0 -3,-0.0 0.159 134.6 55.8 82.6 -25.0 17.5 21.7 10.2 23 25 A A T <4 S+ 0 0 47 -3,-1.7 -1,-0.2 1,-0.3 41,-0.1 0.864 112.0 17.4-106.6 -55.5 20.7 23.4 9.4 24 26 A F B < S-A 20 0A 79 -4,-2.2 -4,-2.6 -12,-0.1 -1,-0.3 -0.977 80.2-124.3-127.6 115.8 22.3 22.2 6.2 25 27 A P - 0 0 27 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.178 30.4-105.7 -62.5 149.4 20.1 20.2 3.7 26 28 A P - 0 0 13 0, 0.0 -8,-0.2 0, 0.0 -12,-0.1 -0.465 26.6-172.9 -66.9 147.7 21.2 16.8 2.6 27 29 A L >> + 0 0 26 -10,-3.0 4,-2.5 -14,-0.3 3,-2.0 0.702 65.7 87.0-101.6 -46.6 22.7 16.3 -0.9 28 30 A A T 34 S+ 0 0 15 -11,-2.9 62,-0.1 1,-0.3 58,-0.1 -0.379 109.7 2.6 -57.5 127.9 22.9 12.5 -0.7 29 31 A G T 34 S+ 0 0 21 1,-0.1 4,-0.3 60,-0.1 -1,-0.3 0.234 125.9 71.5 79.2 -11.1 19.5 11.2 -1.9 30 32 A H T <> S+ 0 0 11 -3,-2.0 4,-1.6 2,-0.1 -2,-0.2 0.712 78.4 68.2-108.5 -27.1 18.2 14.7 -2.6 31 33 A V H X S+ 0 0 1 -4,-2.5 4,-3.2 1,-0.2 3,-0.2 0.934 98.7 55.4 -57.4 -39.6 20.2 15.7 -5.7 32 34 A A H > S+ 0 0 6 -5,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.919 103.1 56.1 -56.1 -40.9 18.3 13.1 -7.6 33 35 A E H 4 S+ 0 0 78 -4,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.879 111.9 42.4 -58.7 -39.1 15.1 14.7 -6.5 34 36 A I H >< S+ 0 0 9 -4,-1.6 3,-1.7 -3,-0.2 -2,-0.2 0.921 112.0 52.2 -75.8 -45.0 16.2 18.0 -8.0 35 37 A L H 3< S+ 0 0 27 -4,-3.2 6,-0.3 1,-0.3 5,-0.2 0.795 98.9 67.8 -60.3 -28.3 17.6 16.4 -11.2 36 38 A A T 3< S+ 0 0 78 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.3 0.674 89.1 82.3 -66.1 -21.0 14.2 14.8 -11.6 37 39 A K S X S- 0 0 83 -3,-1.7 3,-2.4 -4,-0.3 2,-0.4 -0.636 93.6-105.9 -87.8 144.8 12.7 18.1 -12.3 38 40 A E T 3 S+ 0 0 192 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.1 -0.569 114.6 19.4 -62.2 118.0 12.7 20.0 -15.6 39 41 A G T 3> S+ 0 0 29 -2,-0.4 4,-2.4 -4,-0.1 -1,-0.3 0.301 91.6 121.5 95.5 -2.8 15.2 22.8 -15.0 40 42 A G H <> S+ 0 0 1 -3,-2.4 4,-2.1 -5,-0.2 -5,-0.2 0.909 70.8 48.5 -64.2 -40.0 16.8 20.9 -12.0 41 43 A R H > S+ 0 0 53 -4,-0.4 4,-1.5 -6,-0.3 -1,-0.2 0.928 112.0 49.5 -71.1 -37.0 20.3 20.7 -13.4 42 44 A E H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 108.4 55.3 -58.5 -42.6 20.3 24.4 -14.2 43 45 A Y H X S+ 0 0 9 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.922 103.0 54.4 -59.9 -44.0 19.0 25.1 -10.7 44 46 A L H X S+ 0 0 12 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.890 109.1 48.6 -57.9 -39.6 21.9 23.3 -9.1 45 47 A I H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 5,-0.2 0.934 108.8 53.3 -66.0 -42.3 24.4 25.4 -11.1 46 48 A L H X S+ 0 0 13 -4,-2.3 4,-2.9 1,-0.2 5,-0.4 0.880 103.9 56.1 -60.8 -37.0 22.6 28.6 -10.1 47 49 A V H X S+ 0 0 14 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.935 112.3 43.0 -60.8 -43.6 22.9 27.7 -6.4 48 50 A L H < S+ 0 0 22 -4,-1.6 22,-3.0 1,-0.2 -2,-0.2 0.889 119.2 42.0 -71.9 -37.4 26.6 27.4 -6.8 49 51 A L H < S+ 0 0 1 -4,-2.8 22,-0.4 20,-0.2 -1,-0.2 0.844 133.5 16.7 -71.9 -35.9 27.0 30.6 -8.9 50 52 A Y H < S- 0 0 21 -4,-2.9 19,-0.3 1,-0.2 -3,-0.2 0.474 96.5-126.5-126.9 -4.4 24.6 32.8 -7.0 51 53 A G < - 0 0 0 -4,-2.6 2,-0.3 -5,-0.4 -1,-0.2 -0.253 22.8-106.8 85.5-177.4 23.9 31.3 -3.5 52 54 A L E +B 67 0B 21 15,-2.1 15,-3.4 67,-0.1 2,-0.3 -0.990 29.7 171.4-155.6 145.9 20.5 30.6 -1.9 53 55 A Q E +B 66 0B 66 63,-0.8 13,-0.2 -2,-0.3 2,-0.1 -0.953 33.4 60.9-145.5 168.4 18.2 31.9 0.8 54 56 A G S S- 0 0 22 11,-0.8 11,-0.5 -2,-0.3 2,-0.4 -0.155 83.2 -46.7 103.9 164.3 14.7 31.4 2.1 55 57 A Q + 0 0 99 9,-0.2 2,-0.3 7,-0.1 9,-0.2 -0.567 62.0 164.0 -75.0 128.4 12.5 28.7 3.6 56 58 A I E -C 63 0C 12 7,-2.3 7,-2.8 -2,-0.4 2,-0.4 -0.899 29.1-132.7-136.1 165.6 12.7 25.4 1.7 57 59 A E E -C 62 0C 71 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.965 18.0-178.0-123.4 136.7 11.7 21.8 2.5 58 60 A V E > S-C 61 0C 2 3,-2.6 3,-1.5 -2,-0.4 -28,-0.0 -0.951 75.8 -14.4-138.1 119.6 13.9 18.7 2.0 59 61 A K T 3 S- 0 0 105 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.901 129.8 -53.7 53.3 46.7 12.7 15.2 2.8 60 62 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.464 116.5 111.8 72.9 1.7 9.8 16.8 4.7 61 63 A M E < -C 58 0C 82 -3,-1.5 -3,-2.6 0, 0.0 2,-0.4 -0.827 64.5-121.5-108.3 148.6 12.0 18.9 6.9 62 64 A K E -C 57 0C 94 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.698 22.4-173.1 -94.3 139.8 12.3 22.7 6.9 63 65 A Y E +C 56 0C 14 -7,-2.8 -7,-2.3 -2,-0.4 -40,-0.1 -0.925 8.8 175.4-118.4 147.4 15.5 24.7 6.3 64 66 A N + 0 0 105 -42,-0.5 -9,-0.2 -2,-0.3 2,-0.1 -0.277 40.9 108.1-149.4 53.3 15.6 28.4 6.6 65 67 A G - 0 0 38 -11,-0.5 -11,-0.8 -42,-0.1 2,-0.4 -0.293 60.5-104.2-118.5-159.3 19.2 29.4 6.1 66 68 A V E -B 53 0B 122 -13,-0.2 2,-0.5 -2,-0.1 -13,-0.2 -0.998 16.9-162.1-137.1 132.8 21.6 31.1 3.7 67 69 A M E -B 52 0B 47 -15,-3.4 -15,-2.1 -2,-0.4 2,-0.0 -0.969 21.8-132.2-114.2 132.4 24.1 29.7 1.3 68 70 A S - 0 0 81 -2,-0.5 -17,-0.3 -17,-0.2 2,-0.2 -0.271 28.6 -95.7 -72.8 165.0 26.8 31.9 -0.1 69 71 A S - 0 0 42 -19,-0.3 -20,-0.2 -18,-0.1 3,-0.2 -0.475 22.1-161.4 -71.9 149.0 27.8 32.1 -3.8 70 72 A F > + 0 0 38 -22,-3.0 3,-2.3 -23,-0.2 -21,-0.1 -0.038 45.9 132.1-118.5 34.2 30.7 30.1 -5.0 71 73 A A T 3 + 0 0 35 -22,-0.4 -1,-0.1 1,-0.3 -22,-0.1 0.608 58.2 75.1 -63.4 -14.5 31.3 32.1 -8.2 72 74 A Q T 3 S+ 0 0 125 -3,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.703 78.5 92.3 -74.2 -14.9 35.0 32.3 -7.5 73 75 A L S < S- 0 0 8 -3,-2.3 -3,-0.0 -25,-0.2 2,-0.0 -0.562 86.8-113.8 -71.8 145.7 35.1 28.7 -8.6 74 76 A K > - 0 0 110 -2,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.279 28.1-103.3 -71.8 163.4 35.9 28.3 -12.3 75 77 A D H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.906 124.1 48.9 -53.3 -41.4 33.3 26.8 -14.7 76 78 A E H > S+ 0 0 131 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.888 109.3 52.3 -70.2 -31.8 35.2 23.5 -14.7 77 79 A E H > S+ 0 0 57 -3,-0.2 4,-2.8 2,-0.2 5,-0.3 0.903 110.7 46.9 -67.9 -43.7 35.4 23.4 -10.9 78 80 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.938 113.0 50.1 -63.8 -44.3 31.6 24.0 -10.5 79 81 A A H X S+ 0 0 5 -4,-2.4 4,-2.2 -5,-0.3 22,-0.3 0.945 112.5 48.5 -56.6 -46.0 31.0 21.3 -13.1 80 82 A A H X S+ 0 0 30 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.916 111.4 46.0 -66.4 -42.4 33.3 18.9 -11.2 81 83 A V H X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.888 111.3 53.1 -72.1 -30.1 31.8 19.4 -7.8 82 84 A L H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.920 107.9 51.0 -68.4 -37.7 28.3 19.1 -9.1 83 85 A N H X S+ 0 0 36 -4,-2.2 4,-1.6 -5,-0.2 5,-0.3 0.891 109.5 53.1 -62.1 -36.6 29.3 15.8 -10.8 84 86 A H H >X S+ 0 0 40 -4,-2.0 4,-3.3 1,-0.2 3,-0.6 0.973 111.2 42.5 -61.0 -54.2 30.7 14.8 -7.4 85 87 A I H 3< S+ 0 0 12 -4,-2.7 4,-0.3 1,-0.2 6,-0.3 0.810 114.9 53.4 -68.7 -21.0 27.5 15.5 -5.5 86 88 A A H 3< S+ 0 0 0 -4,-2.0 6,-2.3 -5,-0.2 -1,-0.2 0.786 125.1 20.9 -78.7 -24.6 25.5 13.8 -8.3 87 89 A T H X< S+ 0 0 78 -4,-1.6 3,-1.4 -3,-0.6 -2,-0.2 0.715 101.3 79.2-113.8 -27.6 27.5 10.6 -8.2 88 90 A A T 3< S+ 0 0 46 -4,-3.3 -3,-0.1 1,-0.3 -2,-0.1 0.744 109.1 29.7 -62.3 -27.7 29.2 10.2 -4.9 89 91 A W T 3 S- 0 0 67 -4,-0.3 -1,-0.3 -5,-0.3 -2,-0.1 0.119 118.2-101.2-118.5 15.2 26.1 8.9 -3.1 90 92 A G S X> S+ 0 0 24 -3,-1.4 3,-1.2 -62,-0.1 4,-1.0 0.511 77.8 133.4 84.3 8.3 24.3 7.3 -6.0 91 93 A D G >4 S+ 0 0 1 -6,-0.3 3,-0.7 1,-0.3 4,-0.4 0.911 71.1 56.2 -59.2 -40.2 21.8 10.0 -6.9 92 94 A A G >4 S+ 0 0 15 -6,-2.3 3,-0.7 1,-0.2 6,-0.4 0.728 95.7 66.9 -67.0 -19.0 22.6 9.8 -10.7 93 95 A K G <4 S+ 0 0 190 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.934 97.2 54.0 -61.8 -43.5 21.7 6.1 -10.6 94 96 A K G << S+ 0 0 137 -4,-1.0 2,-0.5 -3,-0.7 -1,-0.2 0.636 99.7 79.6 -63.8 -15.0 18.2 7.1 -9.8 95 97 A V S X S- 0 0 25 -3,-0.7 3,-1.0 -4,-0.4 2,-0.6 -0.877 81.8-127.5-111.1 123.6 18.2 9.3 -12.9 96 98 A K T 3 S- 0 0 208 -2,-0.5 -3,-0.1 1,-0.3 -2,-0.1 -0.516 87.2 -7.1 -72.1 107.9 17.8 8.0 -16.5 97 99 A G T 3 S- 0 0 66 -2,-0.6 2,-0.4 1,-0.2 -1,-0.3 0.878 80.0-167.8 75.9 40.0 20.5 9.0 -18.9 98 100 A F < - 0 0 46 -3,-1.0 -1,-0.2 -6,-0.4 -6,-0.0 -0.425 6.1-154.0 -62.4 118.3 22.3 11.5 -16.6 99 101 A K - 0 0 157 -2,-0.4 3,-0.1 1,-0.1 -1,-0.0 -0.828 26.0-108.2 -94.6 132.1 24.8 13.4 -18.6 100 102 A P - 0 0 77 0, 0.0 2,-0.1 0, 0.0 -20,-0.1 -0.185 37.4 -97.5 -55.8 147.6 27.7 14.7 -16.6 101 103 A F - 0 0 6 -22,-0.3 2,-0.3 -23,-0.1 -18,-0.1 -0.412 45.2-162.1 -62.7 137.7 27.8 18.4 -15.8 102 104 A T >> - 0 0 77 -2,-0.1 3,-1.2 -3,-0.1 4,-1.0 -0.921 29.4-111.7-129.2 157.4 30.1 20.3 -18.2 103 105 A A H 3> S+ 0 0 26 -2,-0.3 4,-2.7 1,-0.3 3,-0.4 0.796 111.5 59.1 -53.0 -39.9 31.9 23.7 -18.1 104 106 A E H 3> S+ 0 0 124 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.827 99.3 58.4 -67.9 -27.5 29.8 25.3 -20.9 105 107 A E H <> S+ 0 0 31 -3,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.880 110.7 42.9 -64.2 -36.2 26.6 24.7 -18.9 106 108 A V H X S+ 0 0 0 -4,-1.0 4,-1.9 -3,-0.4 3,-0.3 0.937 111.0 54.8 -74.1 -44.6 28.1 26.8 -16.1 107 109 A K H X S+ 0 0 103 -4,-2.7 4,-0.9 1,-0.2 3,-0.2 0.921 106.1 52.8 -50.7 -48.6 29.4 29.4 -18.5 108 110 A K H >< S+ 0 0 126 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.895 111.1 45.7 -58.0 -37.5 26.0 29.9 -20.0 109 111 A L H >< S+ 0 0 29 -4,-1.2 3,-1.0 -3,-0.3 -1,-0.2 0.754 102.7 63.3 -86.0 -18.1 24.4 30.5 -16.6 110 112 A R H 3< S+ 0 0 79 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.738 88.5 73.9 -67.6 -21.3 27.1 32.9 -15.5 111 113 A A T << S+ 0 0 93 -4,-0.9 2,-0.4 -3,-0.6 -1,-0.2 0.631 97.4 48.7 -71.7 -12.5 26.0 35.2 -18.3 112 114 A K S < S- 0 0 151 -3,-1.0 -1,-0.2 -4,-0.1 2,-0.1 -0.823 84.3-147.9-133.8 95.5 22.9 36.2 -16.4 113 115 A K - 0 0 180 -2,-0.4 2,-0.3 -3,-0.2 -3,-0.1 -0.414 17.5-172.3 -67.0 133.4 23.6 37.1 -12.8 114 116 A L - 0 0 17 -2,-0.1 -2,-0.0 -68,-0.1 -1,-0.0 -0.863 20.6-123.4-118.4 155.2 20.8 36.3 -10.3 115 117 A T > - 0 0 70 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.518 33.6-107.4 -85.5 160.8 20.4 37.2 -6.6 116 118 A P H > S+ 0 0 43 0, 0.0 4,-2.1 0, 0.0 -63,-0.8 0.871 122.7 57.1 -63.4 -27.6 19.9 34.4 -4.0 117 119 A Q H > S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.920 106.1 48.7 -65.9 -39.2 16.3 35.5 -3.8 118 120 A Q H > S+ 0 0 85 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.833 106.7 57.3 -67.3 -29.1 15.9 34.9 -7.5 119 121 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.930 104.7 51.0 -67.5 -41.1 17.6 31.5 -7.0 120 122 A L H X S+ 0 0 10 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.913 107.2 53.9 -58.1 -40.2 14.9 30.6 -4.5 121 123 A A H X S+ 0 0 44 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.880 106.8 51.9 -60.8 -36.0 12.3 31.6 -7.1 122 124 A E H X S+ 0 0 56 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.894 106.5 53.5 -67.9 -37.3 13.9 29.3 -9.6 123 125 A R H ><>S+ 0 0 4 -4,-2.1 5,-1.3 1,-0.2 3,-1.3 0.929 108.0 49.9 -61.3 -45.0 13.7 26.5 -7.1 124 126 A K H ><5S+ 0 0 110 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.879 101.8 61.9 -62.3 -36.0 10.0 27.1 -6.6 125 127 A K H 3<5S+ 0 0 151 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.659 95.4 64.0 -62.7 -18.9 9.5 27.0 -10.4 126 128 A L T <<5S- 0 0 20 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.579 122.0-105.5 -78.3 -14.6 10.8 23.4 -10.3 127 129 A G T < 5S+ 0 0 39 -3,-1.7 2,-0.4 -4,-0.4 -3,-0.2 0.604 75.7 141.1 99.3 8.2 7.8 22.4 -8.2 128 130 A L < 0 0 25 -5,-1.3 -1,-0.3 1,-0.1 -2,-0.1 -0.713 360.0 360.0 -93.8 136.7 9.8 22.2 -5.0 129 131 A K 0 0 156 -2,-0.4 -1,-0.1 -72,-0.1 -71,-0.1 0.602 360.0 360.0 -97.8 360.0 8.3 23.4 -1.8