==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 23-SEP-04 1XJI . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR S.FAHAM,G.L.BOULTING,E.A.MASSEY,S.YOHANNAN,D.YANG,J.U.BOWIE . 225 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 87.1 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 . 7 3.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.6 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 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 2 2 1 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 . 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 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 6 A G 0 0 118 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 63.4 14.8 -18.8 -18.9 2 7 A R > - 0 0 100 1,-0.1 3,-2.3 2,-0.1 4,-0.2 -0.393 360.0-119.3 -66.1 139.8 12.5 -16.1 -17.6 3 8 A P T > S+ 0 0 94 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.760 110.1 56.9 -47.9 -36.1 14.3 -13.1 -15.9 4 9 A E T >> S+ 0 0 2 1,-0.2 4,-1.6 2,-0.1 3,-1.2 0.444 75.8 97.5 -81.6 1.1 12.6 -13.6 -12.6 5 10 A W H <> S+ 0 0 135 -3,-2.3 4,-2.4 1,-0.3 -1,-0.2 0.847 74.4 64.4 -59.0 -32.3 13.8 -17.2 -12.2 6 11 A I H <> S+ 0 0 84 -3,-0.7 4,-1.4 -4,-0.2 -1,-0.3 0.825 105.1 44.4 -59.5 -33.6 16.7 -16.0 -10.0 7 12 A W H <> S+ 0 0 63 -3,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.825 109.7 54.0 -81.8 -33.6 14.3 -14.8 -7.4 8 13 A L H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.901 112.0 47.2 -64.9 -37.9 12.2 -18.0 -7.6 9 14 A A H X S+ 0 0 29 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.871 112.3 48.0 -69.2 -38.4 15.4 -19.9 -6.9 10 15 A L H X S+ 0 0 78 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.867 113.4 49.1 -69.2 -36.7 16.4 -17.6 -4.1 11 16 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.903 108.4 53.2 -68.5 -41.2 12.9 -18.0 -2.7 12 17 A T H X S+ 0 0 11 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.931 110.4 47.5 -58.1 -49.0 13.1 -21.8 -3.0 13 18 A A H X S+ 0 0 50 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.895 113.4 46.6 -60.4 -45.5 16.4 -21.9 -1.1 14 19 A L H X S+ 0 0 58 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.896 114.3 45.1 -68.7 -41.6 15.1 -19.7 1.8 15 20 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.887 115.1 51.1 -68.3 -37.5 11.8 -21.4 2.3 16 21 A G H X S+ 0 0 12 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.930 112.0 44.4 -64.9 -47.0 13.6 -24.7 2.1 17 22 A L H X S+ 0 0 116 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.944 114.9 48.5 -63.1 -49.2 16.2 -23.7 4.7 18 23 A G H X S+ 0 0 7 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.922 110.1 53.4 -57.1 -45.2 13.7 -22.2 7.0 19 24 A T H X S+ 0 0 17 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.957 111.5 43.4 -53.6 -56.5 11.5 -25.3 6.7 20 25 A L H X S+ 0 0 112 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.893 113.8 52.0 -57.3 -44.5 14.3 -27.7 7.7 21 26 A Y H X S+ 0 0 119 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.932 112.6 43.0 -59.9 -50.2 15.5 -25.5 10.5 22 27 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.889 113.7 54.6 -64.0 -37.9 12.0 -25.2 12.1 23 28 A L H X S+ 0 0 79 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.934 111.0 43.5 -61.2 -48.1 11.5 -28.9 11.5 24 29 A V H X S+ 0 0 104 -4,-2.8 4,-0.9 2,-0.2 -2,-0.2 0.969 117.1 45.1 -62.1 -53.2 14.7 -29.9 13.3 25 30 A K H X S+ 0 0 66 -4,-2.6 4,-1.0 1,-0.2 3,-0.3 0.854 113.8 53.3 -59.5 -34.6 14.1 -27.4 16.2 26 31 A G H < S+ 0 0 6 -4,-2.6 3,-0.4 -5,-0.3 -1,-0.2 0.901 104.9 51.1 -70.1 -40.5 10.5 -28.6 16.3 27 32 A M H < S+ 0 0 130 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.626 106.7 56.1 -74.4 -12.0 11.2 -32.3 16.6 28 33 A G H < S+ 0 0 67 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.765 88.7 88.3 -88.5 -28.6 13.5 -31.8 19.5 29 34 A V < - 0 0 30 -4,-1.0 -3,-0.0 -3,-0.4 0, 0.0 -0.418 53.0-171.2 -70.7 144.5 11.0 -29.9 21.7 30 35 A S + 0 0 114 -2,-0.1 -1,-0.1 4,-0.0 5,-0.0 0.631 47.9 112.5-109.9 -20.7 8.9 -32.1 24.0 31 36 A D > - 0 0 45 1,-0.1 4,-1.9 2,-0.1 5,-0.1 -0.327 63.3-140.7 -57.0 128.5 6.4 -29.4 25.3 32 37 A P H > S+ 0 0 98 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.926 98.7 45.9 -56.6 -50.8 2.9 -30.2 23.9 33 38 A D H > S+ 0 0 95 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.906 111.9 49.7 -61.3 -46.5 1.9 -26.6 23.3 34 39 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.856 104.9 60.2 -62.0 -35.5 5.2 -25.6 21.6 35 40 A K H X S+ 0 0 87 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.850 101.0 54.9 -59.4 -38.0 4.9 -28.6 19.4 36 41 A K H X S+ 0 0 119 -4,-1.2 4,-2.2 -3,-0.4 5,-0.2 0.949 110.0 44.9 -61.1 -52.2 1.6 -27.2 18.1 37 42 A F H X S+ 0 0 14 -4,-1.5 4,-3.2 187,-0.2 5,-0.2 0.927 112.4 51.8 -59.7 -46.1 3.2 -23.9 17.1 38 43 A Y H X S+ 0 0 8 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.862 109.8 49.5 -59.0 -40.0 6.2 -25.7 15.5 39 44 A A H X S+ 0 0 62 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.964 116.1 40.5 -65.1 -53.7 4.0 -27.9 13.4 40 45 A I H X S+ 0 0 20 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.948 118.5 48.0 -58.7 -49.9 1.8 -25.1 12.0 41 46 A T H < S+ 0 0 2 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.773 111.9 48.8 -64.5 -29.5 4.9 -22.8 11.6 42 47 A T H X S+ 0 0 16 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.895 105.7 57.4 -78.1 -40.2 6.9 -25.4 9.8 43 48 A L H X S+ 0 0 83 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.859 97.4 64.7 -57.2 -39.3 4.1 -26.3 7.4 44 49 A V H X S+ 0 0 1 -4,-1.5 4,-2.2 1,-0.2 3,-0.5 0.959 108.5 34.6 -51.9 -63.1 3.9 -22.7 6.2 45 50 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.750 112.8 63.8 -68.2 -17.9 7.4 -22.5 4.6 46 51 A A H X S+ 0 0 27 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.901 107.4 41.4 -68.5 -39.5 7.1 -26.1 3.6 47 52 A I H X S+ 0 0 33 -4,-2.3 4,-2.3 -3,-0.5 5,-0.2 0.930 113.5 51.9 -72.0 -46.5 4.2 -25.2 1.3 48 53 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.882 106.9 56.3 -55.8 -39.8 5.9 -22.0 0.1 49 54 A F H X S+ 0 0 71 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.943 108.5 45.5 -57.0 -51.3 8.9 -24.2 -0.8 50 55 A T H X S+ 0 0 67 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.855 114.6 47.0 -63.8 -39.0 6.9 -26.5 -3.0 51 56 A M H X S+ 0 0 30 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.900 114.0 47.5 -71.0 -39.6 5.0 -23.7 -4.8 52 57 A Y H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.881 111.7 50.1 -67.3 -37.9 8.3 -21.7 -5.4 53 58 A L H X S+ 0 0 64 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.906 110.2 52.0 -65.7 -40.2 10.0 -24.9 -6.6 54 59 A S H <>S+ 0 0 44 -4,-1.8 5,-2.4 2,-0.2 -2,-0.2 0.908 111.0 45.9 -59.7 -48.0 7.1 -25.5 -9.0 55 60 A M H ><5S+ 0 0 7 -4,-2.2 3,-1.6 3,-0.2 -1,-0.2 0.882 109.2 55.3 -64.2 -41.0 7.3 -21.9 -10.4 56 61 A L H 3<5S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.861 108.5 50.1 -59.0 -36.7 11.0 -22.2 -10.8 57 62 A L T 3<5S- 0 0 122 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.330 130.0 -92.3 -86.6 6.5 10.4 -25.3 -12.9 58 63 A G T < 5S+ 0 0 61 -3,-1.6 3,-0.3 1,-0.3 2,-0.2 0.645 84.2 117.1 97.7 14.5 7.9 -23.6 -15.1 59 64 A Y < + 0 0 167 -5,-2.4 -1,-0.3 1,-0.2 17,-0.1 -0.703 54.2 41.7-111.7 166.7 4.5 -24.3 -13.5 60 65 A G S S+ 0 0 6 -2,-0.2 16,-1.6 1,-0.2 15,-0.8 0.703 85.9 114.3 75.2 19.1 1.8 -22.1 -12.1 61 66 A L E +A 74 0A 48 -3,-0.3 2,-0.3 13,-0.3 13,-0.2 -0.985 35.5 167.6-126.4 126.5 2.1 -19.5 -14.9 62 67 A T E -A 73 0A 60 11,-2.4 11,-3.0 -2,-0.4 2,-0.5 -0.962 34.4-117.3-135.7 153.8 -0.5 -18.7 -17.4 63 68 A M E -A 72 0A 96 -2,-0.3 7,-0.1 9,-0.2 -2,-0.0 -0.775 29.4-169.4 -90.7 131.0 -1.1 -16.0 -19.9 64 69 A V E -A 71 0A 8 7,-3.1 7,-2.8 -2,-0.5 2,-0.4 -0.982 15.4-134.4-122.9 129.0 -4.1 -13.8 -19.4 65 70 A P E +A 70 0A 46 0, 0.0 2,-0.2 0, 0.0 5,-0.2 -0.681 45.9 123.3 -87.6 135.8 -5.4 -11.3 -22.0 66 71 A F E > +A 69 0A 9 3,-1.9 3,-1.3 -2,-0.4 59,-0.1 -0.857 60.9 35.1-178.7 149.3 -6.4 -7.8 -20.9 67 72 A G T 3 S- 0 0 49 57,-0.3 3,-0.1 1,-0.3 58,-0.1 0.721 130.8 -65.0 69.7 17.8 -5.4 -4.3 -21.9 68 73 A G T 3 S+ 0 0 86 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.590 116.6 82.5 80.8 11.1 -4.9 -5.6 -25.4 69 74 A E E < S-A 66 0A 121 -3,-1.3 -3,-1.9 -5,-0.1 2,-0.7 -0.929 82.2-100.2-144.9 168.2 -2.1 -7.9 -24.5 70 75 A Q E -A 65 0A 117 -2,-0.3 -7,-0.0 -5,-0.2 -3,-0.0 -0.800 40.1-166.5 -89.9 115.5 -1.0 -11.3 -23.1 71 76 A N E -A 64 0A 21 -7,-2.8 -7,-3.1 -2,-0.7 2,-0.4 -0.884 19.2-126.2-110.0 133.6 0.1 -10.9 -19.5 72 77 A P E -A 63 0A 23 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.628 28.9-172.8 -76.6 124.4 2.0 -13.6 -17.5 73 78 A I E -A 62 0A 0 -11,-3.0 -11,-2.4 -2,-0.4 2,-1.4 -0.972 19.8-147.2-125.7 119.3 0.2 -14.4 -14.3 74 79 A Y E > +A 61 0A 8 -2,-0.5 3,-1.0 -13,-0.2 4,-0.3 -0.674 23.5 171.6 -83.9 90.6 1.7 -16.7 -11.6 75 80 A W T >> + 0 0 112 -2,-1.4 3,-1.0 -15,-0.8 4,-0.8 0.655 65.2 79.2 -74.6 -15.4 -1.4 -18.4 -10.2 76 81 A A H 3> S+ 0 0 1 -16,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.752 80.1 70.4 -64.0 -22.6 0.6 -20.8 -8.2 77 82 A R H <> S+ 0 0 1 -3,-1.0 4,-3.1 -17,-0.3 -1,-0.2 0.872 96.8 50.1 -60.4 -39.5 1.1 -18.0 -5.6 78 83 A Y H <> S+ 0 0 7 -3,-1.0 4,-2.9 -4,-0.3 -1,-0.2 0.788 103.9 57.7 -70.6 -29.3 -2.5 -18.2 -4.6 79 84 A A H X S+ 0 0 30 -4,-0.8 4,-0.7 2,-0.2 -1,-0.2 0.918 113.1 42.4 -65.4 -40.8 -2.2 -22.0 -4.2 80 85 A D H >X S+ 0 0 1 -4,-1.8 4,-2.5 1,-0.2 3,-1.2 0.985 117.9 43.3 -65.5 -62.4 0.5 -21.1 -1.7 81 86 A W H 3X S+ 0 0 19 -4,-3.1 4,-1.8 1,-0.3 -2,-0.2 0.823 100.5 70.2 -55.9 -37.9 -1.3 -18.2 0.0 82 87 A L H 3< S+ 0 0 79 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.855 116.7 23.5 -49.8 -37.5 -4.6 -20.1 0.1 83 88 A F H S+ 0 0 22 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.865 111.3 53.0 -69.5 -30.4 -4.7 -18.9 7.3 87 92 A L H X S+ 0 0 32 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.911 107.5 51.1 -67.9 -40.4 -2.0 -21.0 9.1 88 93 A L H X S+ 0 0 6 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.928 111.4 47.7 -61.6 -41.9 -0.2 -17.8 10.0 89 94 A L H X S+ 0 0 3 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.878 107.3 56.9 -65.3 -36.7 -3.4 -16.3 11.4 90 95 A L H X S+ 0 0 51 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.935 102.7 55.3 -58.8 -46.3 -3.9 -19.6 13.2 91 96 A D H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.913 111.6 43.1 -51.2 -48.4 -0.5 -19.1 14.9 92 97 A L H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.911 111.1 55.1 -65.8 -42.9 -1.6 -15.7 16.1 93 98 A A H <>S+ 0 0 2 -4,-3.0 5,-2.5 1,-0.2 4,-0.5 0.903 111.0 44.8 -57.7 -43.1 -5.0 -17.0 17.2 94 99 A L H ><5S+ 0 0 46 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.907 106.8 59.5 -68.5 -42.0 -3.4 -19.7 19.3 95 100 A L H 3<5S+ 0 0 7 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.830 117.8 30.6 -57.0 -35.0 -0.9 -17.3 20.8 96 101 A V T 3<5S- 0 0 0 -4,-1.7 -1,-0.2 -3,-0.1 -2,-0.2 0.328 108.2-117.7-107.9 7.9 -3.7 -15.0 22.2 97 102 A D T < 5 - 0 0 99 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.947 43.4-170.0 55.7 53.6 -6.3 -17.7 22.8 98 103 A A < - 0 0 11 -5,-2.5 -1,-0.1 -6,-0.1 2,-0.1 -0.350 27.3 -93.4 -72.0 155.8 -8.8 -16.2 20.4 99 104 A D > - 0 0 87 1,-0.1 4,-2.0 -2,-0.0 3,-0.3 -0.353 28.5-116.4 -72.0 151.9 -12.4 -17.6 20.3 100 105 A Q H > S+ 0 0 175 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.859 115.2 51.4 -53.2 -43.5 -13.4 -20.4 17.9 101 106 A G H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.862 106.9 52.8 -65.0 -37.2 -15.9 -18.1 16.1 102 107 A T H > S+ 0 0 46 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.897 109.3 50.3 -65.0 -39.8 -13.3 -15.4 15.6 103 108 A I H X S+ 0 0 40 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.930 109.5 50.5 -63.6 -45.7 -10.9 -17.9 14.0 104 109 A L H X S+ 0 0 135 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.918 111.8 47.4 -58.1 -47.4 -13.7 -19.1 11.7 105 110 A A H X S+ 0 0 41 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.907 113.3 48.9 -62.3 -43.1 -14.5 -15.5 10.6 106 111 A L H X S+ 0 0 3 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.948 114.2 43.5 -62.6 -50.3 -10.8 -14.8 10.1 107 112 A V H X S+ 0 0 59 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.892 114.9 51.4 -62.9 -39.8 -10.1 -17.9 8.0 108 113 A G H X S+ 0 0 40 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.960 111.0 46.6 -61.2 -50.4 -13.3 -17.3 6.1 109 114 A A H X S+ 0 0 11 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.914 111.0 53.8 -57.3 -42.0 -12.3 -13.7 5.4 110 115 A D H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.899 106.8 51.5 -58.7 -43.9 -8.8 -15.0 4.4 111 116 A G H X S+ 0 0 30 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.924 110.5 47.9 -59.7 -47.1 -10.4 -17.4 1.9 112 117 A I H X S+ 0 0 95 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.950 111.5 52.2 -58.0 -48.7 -12.5 -14.6 0.4 113 118 A M H X S+ 0 0 18 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.917 116.0 37.5 -54.6 -50.2 -9.3 -12.5 0.2 114 119 A I H X S+ 0 0 13 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.926 118.0 50.8 -70.7 -43.8 -7.2 -15.2 -1.6 115 120 A G H X S+ 0 0 32 -4,-3.0 4,-2.2 -5,-0.3 -2,-0.2 0.931 113.2 42.8 -59.7 -50.3 -10.1 -16.4 -3.8 116 121 A T H X S+ 0 0 16 -4,-3.1 4,-2.9 -5,-0.3 -1,-0.2 0.864 110.8 58.3 -65.9 -32.9 -11.2 -13.0 -5.0 117 122 A G H X S+ 0 0 6 -4,-1.5 4,-2.0 -5,-0.4 -1,-0.2 0.913 108.6 45.1 -60.9 -43.2 -7.5 -12.1 -5.6 118 123 A L H X S+ 0 0 52 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.907 112.0 49.6 -67.5 -45.5 -7.1 -15.1 -7.9 119 124 A V H >X S+ 0 0 65 -4,-2.2 4,-1.0 1,-0.2 3,-0.9 0.959 111.8 50.7 -58.4 -48.0 -10.3 -14.4 -9.8 120 125 A G H >< S+ 0 0 0 -4,-2.9 3,-0.8 1,-0.3 -1,-0.2 0.907 107.9 52.7 -54.2 -43.3 -9.1 -10.9 -10.2 121 126 A A H 3< S+ 0 0 0 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.753 115.0 41.1 -65.1 -25.6 -5.8 -12.1 -11.4 122 127 A L H << S+ 0 0 75 -4,-1.5 -1,-0.2 -3,-0.9 -2,-0.2 0.416 86.4 119.3-102.9 -1.1 -7.5 -14.3 -14.1 123 128 A T << - 0 0 19 -4,-1.0 6,-0.1 -3,-0.8 -59,-0.0 -0.469 48.7-158.3 -71.5 135.4 -10.2 -11.8 -15.2 124 129 A K S S+ 0 0 146 -2,-0.2 2,-0.9 1,-0.1 -57,-0.3 0.661 72.7 81.5 -87.8 -20.5 -10.1 -10.7 -18.8 125 130 A V S >> S- 0 0 74 1,-0.2 4,-1.4 -59,-0.1 3,-0.9 -0.802 75.6-145.7 -90.1 108.5 -12.0 -7.4 -18.5 126 131 A Y H >> S+ 0 0 78 -2,-0.9 4,-0.8 1,-0.3 3,-0.6 0.841 95.4 48.9 -38.8 -54.0 -9.3 -4.9 -17.3 127 132 A S H >> S+ 0 0 88 1,-0.2 4,-0.8 2,-0.2 3,-0.6 0.854 107.3 54.5 -59.5 -39.0 -11.8 -2.9 -15.2 128 133 A Y H <> S+ 0 0 138 -3,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.780 95.0 68.6 -68.1 -26.6 -13.2 -6.0 -13.5 129 134 A R H S+ 0 0 142 -4,-2.0 4,-3.1 2,-0.2 5,-0.6 0.959 110.0 43.7 -61.3 -52.8 -8.6 -4.8 11.9 146 151 A V H <>S+ 0 0 22 -4,-2.4 5,-2.9 1,-0.2 6,-0.3 0.897 114.8 50.8 -60.0 -41.2 -9.4 -7.9 14.0 147 152 A L H <>S+ 0 0 0 -4,-2.5 5,-0.9 3,-0.2 -2,-0.2 0.947 116.2 40.3 -62.6 -46.8 -5.7 -8.6 14.5 148 153 A F H <5S+ 0 0 96 -4,-2.9 -2,-0.2 3,-0.2 -3,-0.2 0.911 133.4 17.9 -70.6 -45.7 -4.9 -5.1 15.6 149 154 A F T X5S+ 0 0 111 -4,-3.1 4,-1.9 -5,-0.2 -3,-0.2 0.924 131.4 38.1 -90.9 -61.7 -8.0 -4.4 17.8 150 155 A G H >< S+ 0 0 63 -4,-1.8 3,-1.0 1,-0.2 4,-0.2 0.884 107.8 57.4 -61.5 -38.2 -7.1 -10.7 23.9 155 160 A A H >< S+ 0 0 0 -4,-2.8 3,-2.2 1,-0.2 8,-0.2 0.853 93.3 67.1 -61.4 -37.1 -3.3 -10.6 24.2 156 161 A E H 3< S+ 0 0 131 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.772 94.7 57.2 -57.0 -28.1 -3.6 -8.2 27.1 157 162 A S T << S+ 0 0 88 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.534 97.1 80.2 -81.2 -6.8 -5.1 -10.9 29.3 158 163 A M S < S- 0 0 56 -3,-2.2 -62,-0.1 -4,-0.2 -63,-0.0 -0.337 102.1 -76.3 -89.0 176.6 -2.1 -13.1 28.7 159 164 A R >> - 0 0 116 1,-0.1 4,-2.1 -2,-0.1 3,-1.5 -0.463 48.1-107.6 -73.1 148.6 1.2 -12.8 30.5 160 165 A P H 3> S+ 0 0 94 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.740 118.3 62.1 -47.6 -27.7 3.3 -9.8 29.3 161 166 A E H 3> S+ 0 0 97 2,-0.2 4,-1.5 1,-0.2 62,-0.3 0.873 109.0 39.9 -67.4 -39.6 5.7 -12.3 27.6 162 167 A V H <> S+ 0 0 12 -3,-1.5 4,-2.9 2,-0.2 5,-0.2 0.907 115.2 51.4 -75.2 -46.1 3.0 -13.5 25.3 163 168 A A H X S+ 0 0 13 -4,-2.1 4,-2.4 -8,-0.2 -2,-0.2 0.940 111.0 48.1 -58.0 -49.1 1.5 -10.1 24.7 164 169 A S H X S+ 0 0 43 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.931 112.6 47.7 -59.2 -46.9 4.8 -8.6 23.8 165 170 A T H X S+ 0 0 19 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.919 111.1 52.2 -60.0 -43.6 5.7 -11.5 21.4 166 171 A F H X S+ 0 0 1 -4,-2.9 4,-3.2 1,-0.2 -1,-0.2 0.906 105.3 55.8 -58.6 -42.9 2.2 -11.2 19.8 167 172 A K H X S+ 0 0 90 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.902 108.2 46.7 -57.9 -44.8 2.8 -7.4 19.3 168 173 A V H X S+ 0 0 51 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.955 116.1 44.6 -61.7 -50.7 6.0 -8.0 17.3 169 174 A L H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.864 113.7 52.0 -61.2 -37.2 4.3 -10.7 15.2 170 175 A R H X S+ 0 0 33 -4,-3.2 4,-2.5 -5,-0.2 -2,-0.2 0.928 110.6 46.8 -65.1 -46.6 1.2 -8.5 14.9 171 176 A N H X S+ 0 0 74 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.887 111.2 51.7 -63.3 -40.6 3.3 -5.5 13.6 172 177 A V H X S+ 0 0 34 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.912 111.8 47.5 -62.5 -42.6 5.2 -7.7 11.2 173 178 A T H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 5,-0.4 0.912 111.9 48.3 -66.5 -45.5 2.0 -9.1 9.8 174 179 A V H X S+ 0 0 42 -4,-2.5 4,-1.9 3,-0.2 -2,-0.2 0.936 115.1 45.5 -62.3 -45.8 0.3 -5.6 9.4 175 180 A V H < S+ 0 0 95 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.967 120.4 36.5 -62.8 -55.6 3.4 -4.1 7.7 176 181 A L H >X S+ 0 0 28 -4,-2.3 3,-1.1 -5,-0.2 4,-0.8 0.925 118.7 48.7 -65.4 -48.2 4.1 -7.0 5.2 177 182 A W H >< S+ 0 0 14 -4,-2.4 3,-1.3 -5,-0.3 -3,-0.2 0.939 103.8 58.9 -59.4 -48.6 0.5 -7.9 4.5 178 183 A S T 3< S+ 0 0 53 -4,-1.9 4,-0.4 -5,-0.4 -1,-0.3 0.681 103.1 58.8 -56.9 -13.9 -0.7 -4.3 3.8 179 184 A A T <> S+ 0 0 27 -3,-1.1 4,-2.2 -4,-0.4 3,-0.5 0.779 86.3 72.7 -86.9 -30.0 2.0 -4.3 1.1 180 185 A Y H S+ 0 0 17 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.829 110.5 52.2 -58.3 -29.3 -2.3 -5.4 -2.5 182 187 A V H > S+ 0 0 82 -3,-0.5 4,-1.8 -4,-0.4 -2,-0.2 0.905 110.0 47.1 -73.1 -40.2 0.0 -2.5 -3.4 183 188 A V H X S+ 0 0 13 -4,-2.2 4,-1.5 2,-0.2 7,-0.2 0.934 113.5 48.9 -65.1 -44.8 2.5 -4.8 -5.2 184 189 A W H < S+ 0 0 14 -4,-2.8 6,-0.6 1,-0.2 8,-0.3 0.917 109.7 52.8 -58.5 -47.0 -0.4 -6.5 -7.1 185 190 A L H < S+ 0 0 57 -4,-2.2 6,-3.2 -5,-0.2 -1,-0.2 0.861 119.1 32.6 -58.6 -41.4 -1.9 -3.1 -8.1 186 191 A I H < S+ 0 0 55 -4,-1.8 8,-2.7 4,-0.2 7,-1.6 0.523 111.6 75.4 -96.5 -7.0 1.3 -1.8 -9.6 187 192 A G S ><>S- 0 0 0 -4,-1.5 5,-2.6 -3,-0.2 3,-1.6 -0.110 105.8 -67.5 -94.0-165.5 2.7 -5.0 -10.9 188 193 A S T 3 5S+ 0 0 14 1,-0.3 -4,-0.1 6,-0.3 -3,-0.1 0.646 130.0 55.4 -58.4 -19.8 1.9 -7.4 -13.8 189 194 A E T 3 5S+ 0 0 2 -5,-0.3 -1,-0.3 -6,-0.2 -4,-0.1 0.705 123.5 17.5 -86.6 -20.2 -1.5 -8.3 -12.3 190 195 A G T < 5S- 0 0 0 -3,-1.6 -4,-0.2 -6,-0.6 -5,-0.2 0.405 134.4 -8.9-113.6-112.7 -2.6 -4.7 -12.2 191 196 A A T 5S- 0 0 46 -6,-3.2 -5,-0.2 -7,-0.1 -3,-0.2 0.670 78.7-133.2 -67.9 -18.5 -1.3 -1.5 -13.9 192 197 A G < + 0 0 48 -5,-2.6 -5,-0.2 -8,-0.3 -4,-0.2 0.842 66.2 127.6 67.6 34.0 1.7 -3.4 -15.2 193 198 A I + 0 0 126 -7,-1.6 -6,-0.2 -6,-0.2 -7,-0.1 0.914 61.2 55.0 -85.9 -51.3 4.1 -0.6 -14.1 194 199 A V S S- 0 0 28 -8,-2.7 -6,-0.3 -11,-0.2 -1,-0.1 -0.723 96.2-119.0 -83.8 128.2 6.6 -2.7 -12.2 195 200 A P >> - 0 0 67 0, 0.0 4,-2.5 0, 0.0 3,-0.9 -0.334 22.4-107.8 -69.0 153.0 8.0 -5.5 -14.4 196 201 A L H 3> S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.778 116.1 57.8 -47.7 -36.1 7.5 -9.2 -13.5 197 202 A N H 3> S+ 0 0 59 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.907 112.1 39.1 -68.0 -39.7 11.1 -9.6 -12.5 198 203 A I H <> S+ 0 0 74 -3,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.866 115.4 54.3 -76.0 -35.4 11.1 -6.9 -9.9 199 204 A E H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.883 106.7 50.5 -63.3 -40.6 7.6 -7.9 -8.8 200 205 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.870 109.7 52.4 -64.7 -36.5 8.7 -11.5 -8.2 201 206 A L H X S+ 0 0 50 -4,-1.2 4,-2.1 -5,-0.2 -2,-0.2 0.920 109.7 48.8 -63.6 -45.9 11.6 -10.0 -6.2 202 207 A L H X S+ 0 0 61 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.927 112.3 46.4 -61.7 -48.3 9.2 -8.0 -4.1 203 208 A F H X S+ 0 0 1 -4,-2.7 4,-3.9 1,-0.2 5,-0.2 0.904 110.9 53.4 -62.4 -39.2 6.9 -10.9 -3.4 204 209 A M H X S+ 0 0 12 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.917 109.9 47.5 -61.1 -43.6 9.8 -13.1 -2.5 205 210 A V H X S+ 0 0 70 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.911 116.9 43.1 -63.4 -44.1 11.1 -10.6 0.0 206 211 A L H X S+ 0 0 20 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.919 114.7 50.7 -67.4 -45.0 7.6 -10.2 1.5 207 212 A D H X S+ 0 0 1 -4,-3.9 4,-1.1 2,-0.2 5,-0.4 0.908 112.6 44.3 -60.8 -45.9 7.0 -14.0 1.5 208 213 A V H X>S+ 0 0 21 -4,-2.8 5,-2.2 -5,-0.2 4,-1.3 0.923 116.8 46.4 -66.8 -42.9 10.3 -14.9 3.2 209 214 A S H <>S+ 0 0 49 -4,-1.9 5,-1.1 -5,-0.3 -2,-0.2 0.918 114.2 47.5 -63.7 -45.4 9.9 -12.2 5.8 210 215 A A H <5S+ 0 0 4 -4,-2.9 -1,-0.2 3,-0.2 -2,-0.2 0.639 127.3 25.2 -73.8 -15.4 6.2 -13.1 6.5 211 216 A K H X5S+ 0 0 6 -4,-1.1 4,-2.5 -3,-0.3 -3,-0.2 0.771 134.0 24.5-111.6 -63.8 6.9 -16.8 6.8 212 217 A V H X5S+ 0 0 16 -4,-1.3 4,-2.8 -5,-0.4 -3,-0.2 0.906 126.7 48.4 -72.2 -40.6 10.5 -17.5 7.8 213 218 A G H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 6,-0.2 0.968 116.6 46.5 -65.1 -56.2 7.7 -16.9 17.1 219 224 A L H 3< S+ 0 0 5 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.642 108.9 55.8 -66.8 -14.5 9.7 -20.1 17.5 220 225 A R T 3< S+ 0 0 73 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.562 96.0 86.3 -92.9 -8.6 12.6 -18.4 19.3 221 226 A S S X S- 0 0 22 -3,-1.5 3,-0.5 -4,-0.4 -59,-0.0 -0.443 76.2-132.4 -92.4 165.8 10.3 -17.0 22.0 222 227 A R G > S+ 0 0 60 1,-0.2 3,-1.9 -2,-0.1 -60,-0.1 0.523 89.5 91.4 -89.7 -7.3 9.0 -18.5 25.3 223 228 A A G 3 S+ 0 0 9 1,-0.3 -1,-0.2 -62,-0.3 -61,-0.1 0.617 77.9 63.8 -63.6 -12.0 5.4 -17.4 24.5 224 229 A I G < 0 0 1 -3,-0.5 -1,-0.3 -6,-0.2 -187,-0.2 0.476 360.0 360.0 -92.7 -2.6 4.9 -20.8 22.8 225 230 A F < 0 0 110 -3,-1.9 -3,-0.0 -192,-0.1 -4,-0.0 -0.441 360.0 360.0 -97.2 360.0 5.3 -22.8 26.0