==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-MAY-11 3S33 . COMPND 2 MOLECULE: CYTOCHROME C OXIDASE SUBUNIT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR V.M.LUNA,J.A.FEE,A.A.DENIZ,C.D.STOUT . 756 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 601 79.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 4.5 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 . 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 . 44 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 382 50.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.6 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 2 2 1 2 2 0 0 0 1 2 1 0 1 0 1 1 1 1 0 2 1 0 1 2 0 0 3 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 . 1 2 2 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 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 6 A S 0 0 179 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 58.9 -1.1 -12.9 -35.4 2 7 A E + 0 0 64 1,-0.1 3,-0.1 3,-0.0 6,-0.1 -0.679 360.0 174.8-103.0 108.0 -2.5 -12.0 -31.9 3 8 A I S S+ 0 0 160 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.400 78.9 50.6 -80.4 -10.5 -5.7 -13.8 -30.1 4 9 A S S > S- 0 0 16 1,-0.1 3,-2.2 490,-0.0 4,-0.3 -0.806 72.4-150.4-139.9 90.0 -5.5 -12.1 -26.9 5 10 A R T >> S+ 0 0 215 -2,-0.3 3,-1.5 1,-0.3 4,-1.1 0.690 95.0 73.9 -21.1 -37.8 -5.1 -8.1 -26.9 6 11 A V H >> S+ 0 0 9 1,-0.3 4,-2.6 2,-0.2 3,-0.7 0.913 93.0 49.2 -45.6 -56.9 -3.1 -8.8 -23.5 7 12 A Y H <4 S+ 0 0 20 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.399 105.3 60.6 -76.0 2.8 -0.1 -10.1 -25.4 8 13 A E H <4 S+ 0 0 95 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.725 118.1 23.4-104.0 -28.1 -0.1 -7.1 -27.7 9 14 A A H << S+ 0 0 59 -4,-1.1 -2,-0.2 -3,-0.7 -3,-0.1 0.589 139.2 33.4-106.5 -19.1 0.4 -4.3 -25.3 10 15 A Y S >< S+ 0 0 70 -4,-2.6 3,-0.8 -5,-0.3 4,-0.5 -0.594 71.9 150.6-121.5 71.3 2.0 -6.6 -22.7 11 16 A P T 3> + 0 0 18 0, 0.0 4,-1.8 0, 0.0 3,-0.5 0.693 66.1 72.5 -72.1 -20.5 3.8 -9.0 -25.1 12 17 A E H 3> S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.845 87.0 66.7 -57.2 -34.8 6.4 -9.5 -22.4 13 18 A K H <> S+ 0 0 4 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.904 101.8 45.3 -51.4 -46.8 3.6 -11.5 -20.7 14 19 A K H > S+ 0 0 63 -3,-0.5 4,-2.0 -4,-0.5 -2,-0.2 0.963 112.8 48.5 -63.7 -52.6 3.8 -14.1 -23.4 15 20 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.820 111.1 52.9 -58.2 -33.2 7.6 -14.3 -23.4 16 21 A T H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.898 106.0 52.7 -68.0 -42.1 7.5 -14.7 -19.6 17 22 A L H X S+ 0 0 21 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.918 106.7 52.1 -60.7 -44.9 5.0 -17.5 -19.8 18 23 A Y H X S+ 0 0 98 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.886 108.5 50.5 -60.2 -42.1 7.2 -19.5 -22.2 19 24 A F H X S+ 0 0 1 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.859 114.1 46.9 -60.1 -37.7 10.2 -19.2 -19.9 20 25 A L H X S+ 0 0 6 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.872 112.9 46.1 -73.5 -42.1 8.0 -20.4 -17.1 21 26 A V H X S+ 0 0 54 -4,-2.8 4,-2.2 2,-0.2 3,-0.2 0.946 113.4 48.3 -66.8 -50.7 6.4 -23.4 -18.9 22 27 A L H X S+ 0 0 22 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.858 112.7 51.8 -55.5 -38.5 9.8 -24.6 -20.3 23 28 A G H X S+ 0 0 3 -4,-1.2 4,-1.4 -5,-0.2 -1,-0.2 0.814 110.2 45.0 -70.8 -35.5 11.2 -24.3 -16.8 24 29 A F H X S+ 0 0 8 -4,-1.6 4,-2.4 -3,-0.2 -2,-0.2 0.770 109.8 55.0 -83.6 -26.2 8.5 -26.3 -15.0 25 30 A L H X S+ 0 0 83 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.932 110.7 46.1 -63.9 -48.8 8.6 -29.1 -17.6 26 31 A A H X S+ 0 0 9 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.883 111.4 53.5 -58.3 -40.8 12.3 -29.4 -17.0 27 32 A L H X S+ 0 0 4 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.936 111.0 45.9 -58.3 -49.0 11.6 -29.3 -13.3 28 33 A I H X S+ 0 0 15 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.966 114.8 45.3 -58.8 -57.3 9.1 -32.2 -13.6 29 34 A V H >< S+ 0 0 67 -4,-2.8 3,-0.9 1,-0.2 4,-0.4 0.928 117.0 45.2 -54.6 -51.0 11.3 -34.4 -15.9 30 35 A G H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 4,-0.3 0.836 108.8 57.6 -61.0 -35.0 14.4 -33.8 -13.7 31 36 A S H >< S+ 0 0 9 -4,-2.1 3,-0.8 -5,-0.2 -1,-0.2 0.676 87.1 77.1 -73.6 -19.8 12.4 -34.4 -10.5 32 37 A L T S+ 0 0 2 -3,-0.8 4,-2.1 -4,-0.4 -1,-0.2 0.682 91.9 82.4 -77.5 -20.3 14.7 -39.3 -10.7 34 39 A G H <> S+ 0 0 20 -3,-0.8 4,-2.4 -4,-0.3 3,-0.4 0.927 89.5 46.0 -49.6 -63.0 14.5 -37.7 -7.2 35 40 A P H > S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.850 112.9 51.3 -50.8 -42.9 12.4 -40.3 -5.5 36 41 A F H X S+ 0 0 26 -4,-0.5 4,-1.9 2,-0.2 10,-0.3 0.856 110.6 48.5 -64.8 -37.5 14.6 -43.1 -6.9 37 42 A Q H X S+ 0 0 22 -4,-2.1 4,-1.8 -3,-0.4 -1,-0.2 0.879 109.7 53.1 -68.6 -38.5 17.7 -41.4 -5.7 38 43 A A H < S+ 0 0 9 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.895 110.3 46.3 -62.4 -44.1 16.1 -41.0 -2.3 39 44 A L H ><>S+ 0 0 27 -4,-2.3 5,-3.2 2,-0.2 3,-1.3 0.868 106.6 60.3 -64.3 -38.4 15.3 -44.7 -2.1 40 45 A N H ><5S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.3 -2,-0.2 0.903 107.0 44.9 -55.4 -43.2 18.9 -45.4 -3.3 41 46 A Y T 3<5S+ 0 0 18 -4,-1.8 -1,-0.3 1,-0.3 424,-0.2 0.414 106.1 61.1 -84.4 1.8 20.2 -43.6 -0.2 42 47 A G T < 5S- 0 0 7 -3,-1.3 -1,-0.3 423,-0.3 -2,-0.2 0.050 123.7-108.4-102.9 19.3 17.6 -45.5 1.8 43 48 A N T < 5S+ 0 0 56 -3,-1.2 2,-0.5 1,-0.2 -3,-0.2 0.679 81.6 128.6 60.8 23.7 19.5 -48.6 0.6 44 49 A V < - 0 0 62 -5,-3.2 2,-1.0 -6,-0.1 -2,-0.2 -0.941 50.2-150.7-113.5 121.8 16.5 -49.5 -1.7 45 50 A D + 0 0 67 -2,-0.5 4,-0.1 404,-0.2 -8,-0.1 -0.742 32.4 153.5 -95.7 95.1 17.2 -50.3 -5.4 46 51 A A >> + 0 0 20 -2,-1.0 4,-1.5 -10,-0.3 3,-0.9 0.325 43.0 103.3-100.3 6.8 14.1 -49.3 -7.4 47 52 A Y H 3> + 0 0 15 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.771 69.5 60.5 -68.3 -33.3 16.0 -48.6 -10.6 48 53 A P H 3> S+ 0 0 87 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.807 107.9 50.3 -60.7 -26.5 15.1 -51.8 -12.5 49 54 A L H <> S+ 0 0 65 -3,-0.9 4,-1.8 2,-0.2 -2,-0.2 0.896 111.6 46.1 -72.2 -45.3 11.5 -50.5 -12.1 50 55 A L H X S+ 0 0 3 -4,-1.5 4,-3.9 2,-0.2 7,-0.2 0.891 109.6 54.9 -61.3 -43.0 12.6 -47.1 -13.4 51 56 A K H < S+ 0 0 105 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.838 108.2 49.7 -59.7 -35.6 14.5 -48.8 -16.3 52 57 A R H < S+ 0 0 190 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.849 117.0 40.7 -72.0 -37.0 11.2 -50.6 -17.2 53 58 A L H < S+ 0 0 106 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.971 128.3 30.2 -71.8 -58.8 9.3 -47.3 -17.1 54 59 A L S >< S- 0 0 50 -4,-3.9 3,-0.9 1,-0.1 -1,-0.3 -0.865 70.8-177.5-107.8 98.2 12.0 -45.2 -18.8 55 60 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.479 76.8 64.3 -77.2 -8.5 13.9 -47.6 -21.2 56 61 A F T 3 S+ 0 0 68 2,-0.0 2,-0.3 0, 0.0 -5,-0.1 0.688 78.0 101.1 -84.5 -23.3 16.4 -45.0 -22.4 57 62 A V < + 0 0 4 -3,-0.9 3,-0.1 -7,-0.2 63,-0.1 -0.494 46.2 176.9 -64.9 123.7 17.9 -44.7 -18.9 58 63 A Q - 0 0 111 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.758 55.9 -0.6-101.9 -31.6 21.1 -46.7 -18.8 59 64 A S > - 0 0 19 1,-0.1 4,-1.8 -8,-0.0 -1,-0.2 -0.941 68.1-100.4-153.4 170.0 22.4 -46.1 -15.2 60 65 A Y H > S+ 0 0 5 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.862 120.9 51.1 -57.7 -40.2 22.0 -44.4 -11.9 61 66 A Y H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 66,-0.3 0.781 103.9 54.0 -79.0 -30.6 24.5 -41.7 -12.9 62 67 A Q H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 111.7 48.5 -64.3 -43.8 22.8 -40.9 -16.2 63 68 A G H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.930 111.1 49.5 -56.2 -47.9 19.7 -40.3 -14.1 64 69 A L H X S+ 0 0 26 -4,-2.2 4,-2.2 2,-0.2 64,-0.3 0.795 108.0 53.5 -66.1 -32.1 21.7 -38.2 -11.7 65 70 A T H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.940 111.9 45.4 -64.2 -47.5 23.1 -36.1 -14.6 66 71 A L H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.883 111.6 53.5 -63.9 -38.2 19.6 -35.5 -15.8 67 72 A H H X S+ 0 0 26 -4,-2.6 4,-1.4 2,-0.2 5,-0.4 0.935 114.1 39.7 -63.1 -50.7 18.4 -34.7 -12.3 68 73 A G H X>S+ 0 0 11 -4,-2.2 4,-3.1 3,-0.2 5,-1.1 0.986 119.2 45.4 -59.7 -61.5 21.1 -32.1 -11.6 69 74 A V H X>S+ 0 0 13 -4,-2.4 5,-2.4 1,-0.2 4,-1.4 0.930 117.5 41.7 -48.8 -58.6 21.0 -30.5 -15.1 70 75 A L H <>S+ 0 0 21 -4,-2.3 5,-1.4 -5,-0.3 -1,-0.2 0.735 127.8 29.7 -70.4 -24.5 17.3 -30.3 -15.5 71 76 A N H <>S+ 0 0 23 -4,-1.4 5,-0.6 -3,-0.4 -2,-0.2 0.858 127.7 33.7-100.2 -47.3 16.6 -29.1 -11.9 72 77 A A H <5S+ 0 0 13 -4,-3.1 -3,-0.2 -5,-0.4 -2,-0.1 0.852 132.3 23.5 -79.6 -36.8 19.6 -27.1 -10.8 73 78 A I T XX S+ 0 0 0 -4,-1.0 4,-2.4 -5,-0.2 3,-1.0 0.965 120.5 34.8 -76.0 -57.1 11.4 -15.1 -16.2 83 88 A I H 3X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.938 116.6 52.0 -65.1 -50.3 11.3 -13.3 -12.8 84 89 A M H 3< S+ 0 0 0 -4,-3.4 -1,-0.2 -5,-0.2 -3,-0.1 0.057 119.7 35.0 -85.7 27.9 14.3 -11.0 -13.3 85 90 A V H <> S+ 0 0 2 -3,-1.0 4,-1.5 -5,-0.1 -1,-0.2 0.388 119.8 44.7-133.1 -43.7 12.9 -9.6 -16.6 86 91 A Y H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.910 110.3 52.0 -72.2 -45.6 9.2 -9.6 -16.1 87 92 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.889 112.8 43.8 -63.3 -43.3 9.1 -8.1 -12.5 88 93 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.926 112.7 54.0 -64.9 -41.8 11.2 -5.1 -13.4 89 94 A A H X>S+ 0 0 0 -4,-1.5 5,-2.3 1,-0.2 4,-0.7 0.863 112.8 43.0 -57.5 -40.6 9.3 -4.6 -16.6 90 95 A R H <5S+ 0 0 38 -4,-2.2 -1,-0.2 3,-0.2 -3,-0.2 0.817 111.3 54.0 -77.2 -33.1 6.0 -4.5 -14.8 91 96 A E H <5S+ 0 0 61 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.930 119.6 34.1 -64.3 -44.6 7.3 -2.3 -11.9 92 97 A L H <5S- 0 0 19 -4,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.628 103.2-133.8 -80.4 -15.4 8.5 0.3 -14.5 93 98 A N T <5 + 0 0 99 -4,-0.7 2,-0.4 -5,-0.2 -3,-0.2 0.966 60.5 136.3 49.6 54.7 5.6 -0.4 -16.8 94 99 A M < - 0 0 37 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.990 57.7-120.5-128.5 141.4 8.1 -0.5 -19.7 95 100 A R - 0 0 111 -2,-0.4 2,-0.2 -3,-0.1 -85,-0.0 -0.656 26.3-131.5 -78.4 131.7 8.2 -3.0 -22.5 96 101 A P - 0 0 0 0, 0.0 2,-0.6 0, 0.0 5,-0.1 -0.618 44.4 -80.8 -77.9 144.5 11.5 -5.0 -22.8 97 102 A N > - 0 0 71 60,-0.3 4,-2.2 -2,-0.2 3,-0.5 -0.234 49.5-163.5 -47.3 95.9 13.2 -5.2 -26.2 98 103 A M H > S+ 0 0 32 -2,-0.6 4,-2.2 1,-0.3 5,-0.3 0.768 82.2 60.2 -64.9 -30.6 10.9 -8.0 -27.5 99 104 A G H > S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.936 113.8 37.8 -57.0 -47.7 13.2 -8.9 -30.4 100 105 A L H > S+ 0 0 45 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.814 112.8 57.4 -75.3 -32.1 15.9 -9.7 -27.9 101 106 A M H X S+ 0 0 1 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.865 110.1 43.0 -71.2 -36.1 13.6 -11.2 -25.4 102 107 A W H X S+ 0 0 65 -4,-2.2 4,-2.5 2,-0.2 3,-0.2 0.890 111.2 56.6 -72.2 -37.6 12.3 -13.8 -27.8 103 108 A L H X S+ 0 0 85 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.886 104.8 52.4 -56.9 -42.2 15.9 -14.4 -29.1 104 109 A S H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.828 109.4 50.0 -64.9 -32.2 16.9 -15.2 -25.5 105 110 A W H X S+ 0 0 19 -4,-1.0 4,-2.6 -3,-0.2 -2,-0.2 0.924 110.3 48.2 -71.2 -45.6 14.1 -17.7 -25.3 106 111 A W H X S+ 0 0 131 -4,-2.5 4,-3.7 2,-0.2 5,-0.4 0.933 109.7 53.1 -59.6 -46.5 15.0 -19.5 -28.5 107 112 A M H X S+ 0 0 44 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.933 111.8 46.6 -49.2 -50.5 18.6 -19.6 -27.5 108 113 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.885 116.3 44.8 -60.9 -42.2 17.4 -21.3 -24.2 109 114 A F H X S+ 0 0 70 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.904 117.2 41.3 -72.2 -46.4 15.2 -23.7 -26.1 110 115 A I H X S+ 0 0 90 -4,-3.7 4,-2.7 2,-0.2 5,-0.2 0.903 116.2 52.0 -68.0 -39.9 17.6 -24.7 -28.9 111 116 A G H X S+ 0 0 1 -4,-2.8 4,-1.8 -5,-0.4 -2,-0.2 0.877 110.0 48.8 -61.7 -42.0 20.4 -24.9 -26.4 112 117 A L H X S+ 0 0 30 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.968 113.9 44.4 -60.6 -56.7 18.4 -27.2 -24.1 113 118 A V H X S+ 0 0 63 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.928 112.0 52.7 -55.5 -51.2 17.3 -29.6 -27.0 114 119 A V H < S+ 0 0 42 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.880 117.3 38.8 -51.7 -44.1 20.9 -29.7 -28.4 115 120 A A H X S+ 0 0 11 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.3 0.723 109.5 63.1 -79.6 -23.7 22.2 -30.6 -25.0 116 121 A A H X S+ 0 0 24 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.860 93.1 63.6 -69.3 -36.9 19.2 -32.9 -24.2 117 122 A L H X S+ 0 0 117 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.941 106.4 39.2 -54.4 -58.4 20.0 -35.3 -27.1 118 123 A P H 4>S+ 0 0 6 0, 0.0 5,-3.3 0, 0.0 6,-0.8 0.823 116.2 53.4 -65.5 -30.9 23.4 -36.6 -25.9 119 124 A L H ><5S+ 0 0 5 -4,-1.1 3,-1.3 1,-0.2 -2,-0.2 0.938 111.1 44.4 -66.5 -48.0 22.2 -36.7 -22.3 120 125 A L H 3<5S+ 0 0 80 -4,-2.9 -1,-0.2 1,-0.2 -3,-0.2 0.728 114.3 52.1 -66.8 -23.0 19.1 -38.8 -23.2 121 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234 A P H >> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-0.9 0.837 98.4 69.0 -53.8 -29.9 27.6 -17.2 -7.7 230 235 A I H 3X S+ 0 0 23 -4,-2.2 4,-0.9 1,-0.3 -2,-0.1 0.791 92.8 58.2 -58.7 -28.1 25.3 -19.3 -9.8 231 236 A V H <> S+ 0 0 44 -3,-2.3 4,-1.6 -4,-0.3 -1,-0.3 0.861 107.8 45.9 -68.5 -34.3 23.6 -20.6 -6.6 232 237 A Y H X S+ 0 0 11 -4,-1.6 4,-2.0 1,-0.2 3,-1.8 0.941 99.1 62.0 -78.5 -52.4 18.5 -17.6 -5.1 236 241 A L H 3X S+ 0 0 1 -4,-3.5 4,-3.1 1,-0.3 5,-0.2 0.780 96.9 60.2 -52.5 -36.2 18.1 -13.9 -5.7 237 242 A P H 3> S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.849 109.9 44.1 -59.3 -33.5 15.0 -14.4 -8.0 238 243 A A H <> S+ 0 0 0 -3,-1.8 4,-2.5 -4,-0.5 -2,-0.2 0.914 111.7 53.6 -71.4 -44.1 13.3 -16.0 -5.0 239 244 A Y H X S+ 0 0 3 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.892 104.4 55.1 -55.4 -44.8 14.6 -13.2 -2.7 240 245 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.905 112.1 43.5 -55.2 -43.8 13.1 -10.5 -5.0 241 246 A I H X>S+ 0 0 6 -4,-1.1 5,-2.4 -5,-0.2 4,-1.8 0.854 113.8 51.0 -71.0 -36.2 9.7 -12.2 -4.7 242 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