==== 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 21-FEB-00 1EHK . COMPND 2 MOLECULE: BA3-TYPE CYTOCHROME-C OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.SOULIMANE,G.BUSE,G.P.BOURENKOV,H.D.BARTUNIK,R.HUBER,M.E.TH . 743 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 603 81.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.1 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 . 45 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 381 51.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.8 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 2 2 1 1 2 1 0 0 1 1 2 0 1 0 0 1 1 0 0 2 1 0 1 1 0 1 4 RESIDUES PER ALPHA HELIX . 2 0 0 1 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 PARALLEL BRIDGES PER LADDER . 2 2 1 2 0 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 . 1 0 0 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 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 14 A A 0 0 106 0, 0.0 3,-0.1 0, 0.0 86,-0.0 0.000 360.0 360.0 360.0 -53.2 109.3 2.2 25.0 2 15 A Y > + 0 0 105 1,-0.1 3,-1.7 85,-0.0 4,-0.4 -0.518 360.0 157.6-128.9 64.9 106.7 3.9 22.7 3 16 A P T 3> + 0 0 44 0, 0.0 4,-1.2 0, 0.0 3,-0.2 0.643 66.2 77.2 -62.7 -13.4 104.2 5.6 25.0 4 17 A E H 3> S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.760 82.6 66.9 -69.1 -23.5 103.3 7.9 22.1 5 18 A K H <> S+ 0 0 47 -3,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.949 98.9 47.9 -63.1 -49.4 101.2 5.1 20.5 6 19 A K H > S+ 0 0 120 -4,-0.4 4,-2.3 1,-0.2 5,-0.2 0.956 114.5 46.0 -55.0 -54.6 98.6 5.1 23.2 7 20 A A H X S+ 0 0 0 -4,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.878 112.4 50.7 -56.3 -42.8 98.1 8.8 23.2 8 21 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.934 109.5 51.4 -62.2 -44.3 98.0 8.9 19.4 9 22 A L H X S+ 0 0 33 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.875 107.8 52.5 -60.5 -40.1 95.4 6.1 19.4 10 23 A Y H X S+ 0 0 97 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.851 109.4 48.3 -67.3 -33.0 93.3 8.1 21.9 11 24 A F H X S+ 0 0 2 -4,-1.7 4,-1.8 -3,-0.2 -2,-0.2 0.956 115.4 46.5 -69.2 -47.7 93.4 11.2 19.6 12 25 A L H X S+ 0 0 4 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.910 114.4 44.1 -57.8 -51.3 92.4 9.0 16.7 13 26 A V H X S+ 0 0 41 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.933 113.4 50.6 -62.2 -47.0 89.5 7.1 18.3 14 27 A L H X S+ 0 0 18 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.846 112.4 50.0 -59.2 -34.3 88.1 10.2 20.0 15 28 A G H X S+ 0 0 1 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.917 110.6 46.5 -70.3 -46.5 88.2 11.8 16.5 16 29 A F H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.831 110.5 54.3 -65.7 -32.8 86.5 8.9 14.8 17 30 A L H X S+ 0 0 70 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.883 107.9 49.6 -68.2 -36.7 83.9 8.9 17.6 18 31 A A H X S+ 0 0 6 -4,-1.5 4,-2.4 -5,-0.2 5,-0.2 0.867 109.8 53.2 -67.7 -33.6 83.2 12.6 16.9 19 32 A L H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.875 108.1 49.3 -67.4 -39.1 83.0 11.6 13.2 20 33 A I H X S+ 0 0 18 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.963 115.3 41.8 -65.3 -53.5 80.3 9.0 13.9 21 34 A V H >X S+ 0 0 62 -4,-2.1 3,-1.2 1,-0.2 4,-0.6 0.960 117.1 46.9 -60.1 -54.1 78.1 11.2 16.0 22 35 A G H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.3 4,-0.3 0.916 111.0 51.8 -55.8 -45.7 78.4 14.2 13.8 23 36 A S H >< S+ 0 0 10 -4,-2.2 3,-0.8 1,-0.2 -1,-0.3 0.600 87.9 81.0 -68.5 -13.2 77.8 12.3 10.6 24 37 A L H S+ 0 0 19 -3,-0.8 4,-2.0 -4,-0.3 3,-0.8 0.947 89.5 46.2 -54.1 -59.1 74.4 13.9 7.6 27 40 A P H 3> S+ 0 0 8 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.918 111.8 51.5 -52.3 -49.5 71.9 11.5 5.9 28 41 A F H 3X S+ 0 0 28 -4,-0.6 4,-1.6 1,-0.3 10,-0.4 0.786 110.5 51.2 -59.2 -27.8 68.9 13.4 7.3 29 42 A Q H <>S+ 0 0 33 -4,-2.6 5,-3.0 1,-0.2 3,-2.0 0.905 107.2 57.2 -65.2 -40.3 67.3 13.9 2.5 32 45 A N H ><5S+ 0 0 0 -4,-1.6 3,-1.6 1,-0.3 -1,-0.2 0.915 107.3 46.4 -56.9 -42.8 66.3 17.4 3.7 33 46 A Y T 3<5S+ 0 0 17 -4,-1.9 -1,-0.3 1,-0.3 424,-0.3 0.379 106.9 59.8 -80.2 8.2 68.0 18.8 0.5 34 47 A G T < 5S- 0 0 7 -3,-2.0 -1,-0.3 423,-0.2 -2,-0.2 0.058 123.3-111.6-114.8 14.6 66.1 16.1 -1.3 35 48 A N T < 5S+ 0 0 54 -3,-1.6 2,-0.7 1,-0.2 -3,-0.2 0.540 79.2 131.4 64.4 10.1 63.0 17.8 0.0 36 49 A V < - 0 0 62 -5,-3.0 2,-1.1 -6,-0.2 -2,-0.2 -0.834 50.7-148.8 -97.6 114.1 62.4 14.7 2.2 37 50 A D + 0 0 56 -2,-0.7 4,-0.2 404,-0.3 -8,-0.1 -0.678 33.4 155.6 -83.4 97.6 61.6 15.7 5.8 38 51 A A > + 0 0 12 -2,-1.1 4,-2.3 -10,-0.4 3,-0.4 0.332 43.8 99.4-104.8 7.4 63.0 12.8 7.9 39 52 A Y H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.756 73.4 61.8 -66.5 -24.9 63.5 14.8 11.1 40 53 A P H > S+ 0 0 84 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.922 110.4 43.8 -64.3 -37.6 60.3 13.6 12.7 41 54 A L H >> S+ 0 0 87 -3,-0.4 4,-1.6 2,-0.2 3,-1.0 0.950 110.5 53.4 -67.4 -50.8 61.9 10.1 12.5 42 55 A L H 3X S+ 0 0 3 -4,-2.3 4,-3.4 1,-0.3 3,-0.3 0.903 107.4 53.1 -51.4 -45.6 65.3 11.4 13.7 43 56 A K H 3< S+ 0 0 85 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.785 103.2 56.0 -62.7 -29.0 63.6 12.8 16.7 44 57 A R H << S+ 0 0 208 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.866 115.6 38.8 -71.4 -34.7 62.0 9.5 17.6 45 58 A L H < S+ 0 0 89 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.918 129.7 30.1 -78.4 -46.7 65.4 7.9 17.6 46 59 A L >< - 0 0 49 -4,-3.4 3,-1.7 -5,-0.2 -1,-0.3 -0.764 69.0-177.7-117.8 83.8 67.2 10.9 19.3 47 60 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.644 77.6 65.3 -54.9 -19.6 64.6 12.6 21.6 48 61 A F T 3 S+ 0 0 74 2,-0.0 2,-0.4 0, 0.0 -5,-0.1 0.796 75.5 101.2 -77.2 -25.5 67.1 15.3 22.6 49 62 A V < + 0 0 3 -3,-1.7 3,-0.1 1,-0.2 -3,-0.1 -0.452 47.0 178.2 -62.7 114.0 67.2 16.7 19.1 50 63 A Q - 0 0 105 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.673 57.1 -3.6 -92.1 -22.0 65.0 19.8 19.1 51 64 A S > - 0 0 12 1,-0.1 4,-1.9 -8,-0.0 -1,-0.2 -0.984 67.9 -97.6-162.6 173.8 65.5 21.0 15.5 52 65 A Y H > S+ 0 0 5 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.931 121.4 50.2 -61.2 -46.3 67.1 20.8 12.1 53 66 A Y H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 66,-0.2 0.802 105.1 52.4 -64.9 -35.3 69.5 23.5 13.2 54 67 A Q H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.939 111.5 50.7 -66.2 -42.0 70.6 21.9 16.5 55 68 A G H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.878 110.4 48.7 -59.3 -39.9 71.3 18.8 14.4 56 69 A L H X S+ 0 0 25 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.848 106.4 55.4 -70.6 -35.8 73.4 20.9 11.9 57 70 A T H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.949 110.6 45.8 -62.1 -45.7 75.4 22.6 14.7 58 71 A L H X S+ 0 0 5 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.871 111.3 54.6 -62.5 -38.1 76.4 19.2 16.0 59 72 A H H X S+ 0 0 26 -4,-1.7 4,-1.5 -5,-0.2 5,-0.5 0.955 114.9 36.9 -61.7 -52.1 77.1 18.1 12.4 60 73 A G H X>S+ 0 0 12 -4,-2.8 4,-1.2 3,-0.2 5,-0.8 0.882 119.5 47.1 -69.7 -40.7 79.5 21.0 11.7 61 74 A V H X>S+ 0 0 11 -4,-2.9 5,-2.6 -5,-0.3 4,-0.8 0.944 116.8 41.6 -67.9 -48.2 81.1 21.2 15.1 62 75 A L H <>S+ 0 0 20 -4,-2.2 5,-1.8 -5,-0.3 -1,-0.2 0.766 126.9 30.2 -72.2 -27.9 81.8 17.4 15.5 63 76 A N H <>S+ 0 0 21 -4,-1.5 5,-1.1 -5,-0.3 -3,-0.2 0.893 127.6 32.9 -96.6 -54.6 83.0 16.8 12.0 64 77 A A H <5S+ 0 0 13 -4,-1.2 -3,-0.2 -5,-0.5 -2,-0.1 0.715 134.1 23.3 -77.6 -23.7 84.6 20.0 10.7 65 78 A I T XX S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 3,-0.8 0.974 120.9 35.5 -70.4 -57.6 97.4 12.5 16.0 75 88 A I H 3X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.940 117.0 49.5 -62.9 -54.4 99.1 12.5 12.5 76 89 A M H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.1 0.339 120.4 36.7 -72.4 7.0 101.2 15.7 12.8 77 90 A V H <> S+ 0 0 4 -3,-0.8 4,-1.8 -4,-0.2 -2,-0.2 0.621 119.4 45.1-119.5 -49.2 102.7 14.7 16.1 78 91 A Y H X S+ 0 0 1 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.862 109.5 53.1 -67.7 -40.2 103.1 10.9 15.7 79 92 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.949 112.2 43.5 -65.2 -47.6 104.6 10.9 12.2 80 93 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.938 112.3 54.8 -63.1 -39.8 107.4 13.3 12.9 81 94 A A H X>S+ 0 0 0 -4,-1.8 5,-1.8 1,-0.2 4,-1.2 0.952 113.0 42.3 -54.3 -51.7 108.0 11.5 16.3 82 95 A R H <5S+ 0 0 44 -4,-2.4 -1,-0.2 2,-0.2 -3,-0.2 0.890 111.3 54.1 -63.6 -42.0 108.4 8.1 14.4 83 96 A E H <5S+ 0 0 55 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.923 117.7 37.8 -59.3 -41.8 110.5 9.6 11.6 84 97 A L H <5S- 0 0 16 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.601 101.2-136.5 -83.3 -13.9 112.9 11.0 14.2 85 98 A N T <5 + 0 0 103 -4,-1.2 2,-0.3 -5,-0.2 -3,-0.2 0.905 62.6 128.6 56.2 41.7 112.6 7.9 16.4 86 99 A M < - 0 0 45 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.945 62.7-112.4-127.1 147.9 112.4 10.3 19.4 87 100 A R - 0 0 121 -2,-0.3 -85,-0.0 -3,-0.1 3,-0.0 -0.653 25.2-130.3 -84.6 131.2 109.8 10.5 22.2 88 101 A P - 0 0 1 0, 0.0 2,-0.9 0, 0.0 62,-0.1 -0.369 45.1 -86.4 -71.3 159.5 107.4 13.4 22.3 89 102 A N > - 0 0 67 60,-0.2 4,-2.3 1,-0.2 3,-0.2 -0.587 47.5-160.5 -67.4 108.2 107.2 15.0 25.8 90 103 A M H > S+ 0 0 28 -2,-0.9 4,-2.1 1,-0.2 5,-0.2 0.737 82.1 61.1 -66.9 -24.0 104.5 12.6 27.1 91 104 A G H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.943 112.2 38.4 -68.4 -44.4 103.4 14.9 30.0 92 105 A L H > S+ 0 0 46 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.930 112.7 57.8 -70.0 -42.8 102.4 17.6 27.5 93 106 A M H X S+ 0 0 2 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.887 111.1 41.8 -55.3 -43.3 101.1 15.1 25.0 94 107 A W H X S+ 0 0 61 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.878 112.4 54.7 -72.3 -36.3 98.6 13.7 27.5 95 108 A L H X S+ 0 0 84 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.904 106.9 51.9 -62.2 -39.4 97.8 17.1 28.8 96 109 A S H X S+ 0 0 1 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.895 109.1 49.8 -65.6 -37.2 96.9 18.1 25.2 97 110 A W H X S+ 0 0 23 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.875 110.5 50.0 -69.6 -35.4 94.6 15.1 24.9 98 111 A W H X S+ 0 0 133 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.866 108.2 52.1 -71.0 -34.8 92.9 16.0 28.2 99 112 A M H X S+ 0 0 43 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.940 111.9 47.2 -65.0 -44.4 92.3 19.6 27.1 100 113 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.953 115.3 45.2 -59.7 -50.6 90.7 18.3 23.9 101 114 A F H X S+ 0 0 74 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.892 118.3 41.7 -61.5 -42.7 88.5 15.8 25.8 102 115 A I H X S+ 0 0 86 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.922 114.8 49.8 -72.3 -45.3 87.4 18.2 28.5 103 116 A G H X S+ 0 0 0 -4,-3.0 4,-1.9 -5,-0.3 5,-0.2 0.938 112.8 50.1 -57.9 -45.1 86.9 21.2 26.1 104 117 A L H X S+ 0 0 28 -4,-2.7 4,-3.0 -5,-0.3 3,-0.3 0.950 111.2 46.7 -57.7 -53.5 84.9 18.8 24.0 105 118 A V H X S+ 0 0 61 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.882 112.2 51.5 -57.6 -40.3 82.7 17.6 26.9 106 119 A V H < S+ 0 0 40 -4,-2.8 -1,-0.2 1,-0.2 29,-0.2 0.831 114.5 41.5 -68.2 -32.6 82.2 21.1 28.1 107 120 A A H X S+ 0 0 7 -4,-1.9 4,-1.9 -3,-0.3 -2,-0.2 0.858 109.7 60.4 -81.5 -35.9 81.0 22.3 24.7 108 121 A A H X S+ 0 0 24 -4,-3.0 4,-3.4 -5,-0.2 5,-0.4 0.929 95.6 61.3 -55.8 -50.8 78.9 19.2 24.1 109 122 A L H X S+ 0 0 114 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.909 108.8 39.5 -43.9 -61.0 76.7 19.8 27.1 110 123 A P H 4>S+ 0 0 7 0, 0.0 5,-3.0 0, 0.0 6,-0.6 0.923 117.4 52.2 -58.4 -43.3 75.2 23.1 25.9 111 124 A L H ><5S+ 0 0 7 -4,-1.9 3,-1.5 1,-0.2 5,-0.3 0.934 111.7 43.2 -58.0 -51.2 75.0 21.8 22.3 112 125 A L H 3<5S+ 0 0 74 -4,-3.4 -1,-0.2 1,-0.3 -3,-0.2 0.688 111.3 58.1 -69.5 -17.7 73.2 18.7 23.2 113 126 A A T 3<5S- 0 0 54 -4,-1.4 -1,-0.3 -5,-0.4 -2,-0.2 0.219 114.8-115.6 -95.8 13.1 71.0 20.7 25.5 114 127 A N T < 5S+ 0 0 21 -3,-1.5 3,-0.3 1,-0.1 -3,-0.2 0.796 83.9 120.6 57.3 31.0 69.9 23.0 22.7 115 128 A E S - 0 0 3 -3,-0.4 3,-1.8 -66,-0.2 -62,-0.1 0.201 41.4 -69.7 75.8 160.1 76.2 26.6 13.9 120 133 A Y T 3 S+ 0 0 43 1,-0.3 -1,-0.2 -64,-0.2 -63,-0.0 0.550 134.9 52.8 -62.2 -7.8 80.0 25.9 13.8 121 134 A T T 3 S- 0 0 2 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.565 86.8-162.1-100.8 -14.6 80.7 29.5 12.7 122 135 A F < - 0 0 11 -3,-1.8 -3,-0.1 -4,-0.3 6,-0.1 0.790 10.0-163.3 30.7 60.4 78.7 30.9 15.7 123 136 A Y > - 0 0 17 -5,-0.5 3,-1.6 4,-0.1 534,-0.2 -0.531 22.7 -97.8 -73.8 119.2 78.3 34.4 14.2 124 137 A P T 3 S+ 0 0 0 0, 0.0 3,-0.1 0, 0.0 88,-0.1 -0.408 106.0 47.7 -63.2 153.8 77.3 37.1 16.8 125 138 A P T 3 S+ 0 0 1 0, 0.0 417,-2.3 0, 0.0 2,-0.1 -0.992 95.3 88.2 -70.9 -6.0 74.6 38.4 17.5 126 139 A L B < S-a 542 0A 9 -3,-1.6 2,-0.6 415,-0.2 417,-0.2 -0.456 77.9-151.1 -55.6 124.0 73.5 34.7 17.6 127 140 A K - 0 0 58 415,-2.9 -10,-0.1 -2,-0.1 -1,-0.1 -0.862 15.1-169.2-113.3 107.7 74.4 34.2 21.3 128 141 A G - 0 0 6 -2,-0.6 -12,-0.2 1,-0.1 2,-0.2 -0.218 35.6 -78.3 -84.2 174.7 75.4 30.7 22.6 129 142 A H >> - 0 0 64 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0.889 104.9 57.0 -65.0 -35.5 98.8 15.8 2.5 232 245 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.917 112.0 41.6 -60.7 -42.2 101.6 14.5 4.8 233 246 A I H X>S+ 0 0 3 -4,-1.3 5,-2.9 1,-0.2 4,-2.0 0.872 113.8 52.0 -71.7 -39.1 100.3 11.0 4.4 234 247 A I H <5S+ 0 0 2 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.800 118.1 37.9 -68.9 -28.3 99.7 11.4 0.6 235 248 A Y H <5S+ 0 0 1 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.895 128.8 27.8 -88.2 -47.2 103.2 12.6 0.1 236 249 A T H <5S+ 0 0 7 -4,-2.5 256,-2.8 -5,-0.3 -3,-0.2 0.594 132.9 19.7 -95.0 -13.2 105.2 10.4 2.5 237 250 A I T >X5S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 3,-0.9 0.714 108.8 64.5-123.6 -41.4 103.3 7.2 2.9 238 251 A L H 3>S+ 0 0 3 0, 0.0 5,-2.9 0, 0.0 4,-0.4 0.915 108.5 42.5 -58.3 -37.4 103.7 6.4 -2.6 240 253 A K H X45S+ 0 0 109 -3,-0.9 3,-1.1 250,-0.3 -2,-0.2 0.906 113.3 50.6 -72.7 -42.4 104.9 3.3 -0.8 241 254 A Q H 3<5S+ 0 0 26 -4,-2.0 -1,-0.2 1,-0.3 -3,-0.2 0.821 108.4 55.3 -63.5 -27.9 101.4 1.9 -0.3 242 255 A A T 3<5S- 0 0 0 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 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160.2 -69.0 61.5 96.8 -1.7 -5.5 328 341 A W T 3 + 0 0 72 -2,-2.7 -2,-0.1 1,-0.3 -3,-0.0 0.444 68.2 71.7 -66.7 7.1 93.1 -1.3 -5.9 329 342 A D T 3 S+ 0 0 86 1,-0.1 -1,-0.3 -3,-0.0 80,-0.1 0.663 84.1 75.0 -92.3 -23.4 93.0 -4.2 -3.5 330 343 A N X> - 0 0 51 -3,-2.3 4,-2.5 1,-0.1 3,-0.8 -0.832 63.8-158.9 -97.5 120.0 94.2 -2.2 -0.5 331 344 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.846 94.1 64.7 -62.4 -31.8 91.6 0.1 1.1 332 345 A A H 34 S+ 0 0 2 57,-0.2 54,-0.1 1,-0.2 -91,-0.1 0.842 111.0 37.2 -59.5 -32.9 94.6 2.1 2.6 333 346 A F H <> S+ 0 0 1 -3,-0.8 4,-1.4 -6,-0.3 -1,-0.2 0.881 116.4 51.0 -85.8 -43.6 95.5 2.9 -0.9 334 347 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 -7,-0.3 5,-0.4 0.936 99.9 61.5 -60.7 -52.2 92.0 3.4 -2.4 335 348 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 48,-0.2 0.909 109.6 38.9 -42.1 -63.5 90.6 5.8 0.2 336 349 A P H > S+ 0 0 3 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.847 115.4 53.2 -60.5 -35.6 93.1 8.7 -0.4 337 350 A V H X S+ 0 0 11 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.909 109.2 46.7 -68.2 -43.1 93.2 8.2 -4.1 338 351 A L H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 3,-0.3 0.940 110.9 55.8 -63.2 -40.5 89.4 8.4 -4.6 339 352 A G H X S+ 0 0 0 -4,-2.2 4,-1.2 -5,-0.4 40,-0.3 0.852 105.3 50.8 -57.5 -38.1 89.6 11.4 -2.3 340 353 A L H X S+ 0 0 31 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.830 105.9 56.4 -69.9 -32.2 92.1 13.1 -4.7 341 354 A L H >< S+ 0 0 86 -4,-1.6 3,-1.8 -3,-0.3 -2,-0.2 0.977 111.1 41.6 -63.3 -52.9 89.8 12.4 -7.7 342 355 A G H 3X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.3 -1,-0.2 0.765 102.5 70.9 -65.1 -24.4 86.9 14.2 -6.1 343 356 A F H 3X S+ 0 0 30 -4,-1.2 4,-2.9 -5,-0.3 -1,-0.3 0.718 87.9 68.0 -64.4 -19.5 89.3 16.9 -4.9 344 357 A I H S+ 0 0 29 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.879 117.7 60.2 -64.7 -33.0 86.1 19.3 -9.0 346 359 A G H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.938 105.8 45.3 -57.7 -47.9 86.4 20.3 -5.3 347 360 A G H X S+ 0 0 21 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.879 109.3 53.3 -65.3 -41.8 89.4 22.5 -6.2 348 361 A A H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.931 107.0 53.7 -59.6 -43.8 87.8 24.1 -9.2 349 362 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.912 109.3 50.7 -55.9 -40.1 84.8 25.1 -7.1 350 363 A G H X S+ 0 0 21 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.895 106.6 50.5 -65.2 -44.0 87.3 26.7 -4.7 351 364 A I H < S+ 0 0 13 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.845 110.6 52.8 -64.8 -31.5 89.1 28.7 -7.4 352 365 A V H >< S+ 0 0 0 -4,-2.2 3,-2.0 -5,-0.2 -2,-0.2 0.978 108.2 48.4 -66.6 -55.1 85.6 29.9 -8.5 353 366 A N H 3< S+ 0 0 22 -4,-2.4 3,-0.3 1,-0.3 6,-0.2 0.829 106.9 58.1 -53.6 -34.7 84.6 31.1 -5.0 354 367 A A T 3< S+ 0 0 5 -4,-1.9 2,-0.9 1,-0.2 -1,-0.3 0.634 80.6 92.6 -72.6 -12.6 88.0 32.9 -4.6 355 368 A S S X S- 0 0 0 -3,-2.0 3,-1.6 -4,-0.5 2,-0.3 -0.033 83.2-137.9 -75.2 33.8 87.3 35.0 -7.7 356 369 A F G > S+ 0 0 2 -2,-0.9 3,-2.4 -3,-0.3 4,-0.5 -0.266 91.5 34.8 52.0-106.6 85.7 37.9 -5.8 357 370 A T G > S+ 0 0 0 -2,-0.3 3,-1.4 1,-0.3 4,-0.3 0.792 111.2 63.0 -45.9 -39.4 82.6 38.9 -8.0 358 371 A L G X> S+ 0 0 0 -3,-1.6 3,-1.7 1,-0.3 4,-0.8 0.798 90.2 70.4 -61.2 -24.8 82.0 35.3 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