==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTON TRANSPORT 26-NOV-11 3UTV . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SP.; . AUTHOR Z.CAO,J.U.BOWIE . 227 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 86.3 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 . 25 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.5 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 3 1 1 0 1 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 5 A T 0 0 212 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.4 -6.0 -20.6 -22.2 2 6 A G - 0 0 60 1,-0.1 4,-0.0 2,-0.0 0, 0.0 -0.190 360.0 -77.3 -98.5 168.3 -8.3 -19.3 -19.4 3 7 A R > - 0 0 100 1,-0.1 3,-2.0 2,-0.1 4,-0.2 -0.061 39.0-121.6 -56.9 142.9 -10.2 -16.3 -17.9 4 8 A P T > S+ 0 0 89 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.646 106.7 65.9 -67.5 -18.4 -8.2 -13.6 -15.9 5 9 A E T >> S+ 0 0 2 1,-0.2 4,-1.9 2,-0.1 3,-0.9 0.526 75.0 96.9 -77.3 -3.7 -10.2 -14.0 -12.6 6 10 A W H <> S+ 0 0 139 -3,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.866 75.0 59.4 -52.8 -39.2 -8.7 -17.5 -12.3 7 11 A I H <> S+ 0 0 74 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.839 106.3 45.7 -62.2 -36.3 -6.0 -16.3 -10.0 8 12 A W H <> S+ 0 0 73 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.834 111.2 52.5 -78.0 -33.3 -8.5 -15.0 -7.3 9 13 A L H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.901 112.0 47.9 -63.5 -37.7 -10.5 -18.3 -7.6 10 14 A A H X S+ 0 0 26 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.927 112.8 45.7 -69.3 -49.7 -7.2 -20.1 -7.0 11 15 A L H X S+ 0 0 75 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.896 113.2 52.7 -60.4 -40.2 -6.2 -17.9 -4.0 12 16 A G H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.4 0.924 107.9 50.4 -54.6 -53.9 -9.9 -18.4 -2.7 13 17 A T H X S+ 0 0 14 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.945 111.9 47.6 -51.4 -51.3 -9.6 -22.1 -2.9 14 18 A A H X S+ 0 0 47 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.886 114.2 45.0 -61.9 -42.1 -6.3 -22.2 -1.0 15 19 A L H X S+ 0 0 67 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.912 115.2 46.4 -72.9 -40.6 -7.5 -19.9 1.8 16 20 A M H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 34,-0.2 0.905 114.8 50.4 -66.5 -39.4 -10.9 -21.7 2.3 17 21 A G H X S+ 0 0 12 -4,-2.3 4,-2.2 -5,-0.4 -2,-0.2 0.913 112.0 43.6 -58.1 -52.4 -9.0 -25.1 2.2 18 22 A L H X S+ 0 0 118 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.878 114.0 51.8 -62.8 -42.7 -6.3 -24.2 4.8 19 23 A G H X S+ 0 0 7 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.932 110.3 49.2 -58.6 -48.5 -9.0 -22.6 7.1 20 24 A T H X S+ 0 0 20 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.944 113.0 46.8 -53.4 -49.5 -11.2 -25.7 6.9 21 25 A L H X S+ 0 0 111 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.922 113.6 48.6 -61.9 -44.8 -8.1 -28.0 7.7 22 26 A Y H X S+ 0 0 82 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.927 112.7 46.2 -61.2 -49.6 -7.1 -25.8 10.6 23 27 A F H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.905 112.7 52.3 -62.9 -41.7 -10.6 -25.6 12.1 24 28 A L H X S+ 0 0 87 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.925 110.3 46.2 -58.0 -47.5 -11.0 -29.4 11.7 25 29 A V H X S+ 0 0 104 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.937 116.8 44.1 -68.3 -42.8 -7.7 -30.3 13.5 26 30 A K H < S+ 0 0 101 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.929 114.0 51.6 -67.2 -37.7 -8.5 -27.9 16.4 27 31 A G H >< S+ 0 0 3 -4,-2.7 3,-1.1 -5,-0.2 -2,-0.2 0.891 105.6 51.9 -67.1 -40.7 -12.1 -29.1 16.6 28 32 A M H 3< S+ 0 0 137 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.786 104.9 60.2 -69.1 -23.2 -11.3 -32.8 16.8 29 33 A G T 3< S+ 0 0 66 -4,-1.2 2,-0.3 -5,-0.2 -1,-0.2 0.540 91.0 82.8 -79.1 -10.2 -8.9 -32.1 19.7 30 34 A V < - 0 0 37 -3,-1.1 -4,-0.0 -4,-0.4 -3,-0.0 -0.737 51.7-170.4 -99.0 149.1 -11.6 -30.5 22.1 31 35 A S + 0 0 120 -2,-0.3 -1,-0.1 4,-0.0 5,-0.1 0.753 49.4 111.0-105.9 -25.2 -14.0 -32.4 24.4 32 36 A D > - 0 0 39 1,-0.1 4,-1.9 2,-0.1 -2,-0.1 -0.287 61.6-143.0 -53.1 124.4 -16.5 -29.8 25.7 33 37 A P H > S+ 0 0 97 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.895 97.8 48.8 -58.9 -44.5 -19.9 -30.5 24.1 34 38 A D H > S+ 0 0 82 1,-0.2 4,-1.5 2,-0.2 3,-0.5 0.955 112.2 48.8 -62.7 -45.4 -21.0 -26.8 23.6 35 39 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.890 106.9 57.6 -56.5 -40.4 -17.6 -25.9 22.0 36 40 A K H X S+ 0 0 90 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.839 101.2 54.2 -63.7 -37.9 -17.9 -28.9 19.7 37 41 A K H X S+ 0 0 116 -4,-1.4 4,-2.1 -3,-0.5 -1,-0.2 0.912 110.0 48.3 -60.9 -43.9 -21.2 -27.7 18.3 38 42 A F H X S+ 0 0 20 -4,-1.5 4,-2.6 187,-0.2 -2,-0.2 0.925 111.8 50.1 -63.1 -42.8 -19.6 -24.4 17.4 39 43 A Y H X S+ 0 0 22 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.860 109.4 50.4 -61.6 -42.1 -16.7 -26.2 15.8 40 44 A A H X S+ 0 0 65 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.923 114.9 41.7 -63.4 -47.8 -18.9 -28.4 13.7 41 45 A I H X S+ 0 0 20 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.938 118.0 47.6 -64.1 -44.4 -21.0 -25.5 12.3 42 46 A T H < S+ 0 0 1 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.785 109.1 51.4 -75.2 -28.4 -18.0 -23.3 11.8 43 47 A T H X S+ 0 0 20 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.821 106.1 56.8 -71.2 -34.6 -15.8 -25.9 10.0 44 48 A L H X S+ 0 0 83 -4,-1.4 4,-2.3 -5,-0.2 5,-0.2 0.838 96.2 66.7 -66.5 -37.2 -18.6 -26.7 7.5 45 49 A V H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 3,-0.3 0.957 108.1 33.4 -49.5 -65.8 -18.8 -23.0 6.4 46 50 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.776 113.6 63.8 -69.6 -21.7 -15.4 -22.8 4.7 47 51 A A H X S+ 0 0 29 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.918 106.3 42.5 -59.2 -47.8 -15.7 -26.5 3.6 48 52 A I H X S+ 0 0 30 -4,-2.3 4,-2.1 -3,-0.3 5,-0.2 0.942 114.6 51.2 -64.3 -49.9 -18.7 -25.7 1.4 49 53 A A H X S+ 0 0 0 -4,-2.1 4,-3.5 1,-0.2 5,-0.2 0.896 107.2 54.5 -51.1 -44.5 -17.0 -22.5 0.2 50 54 A F H X S+ 0 0 73 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.920 108.3 48.7 -55.8 -45.3 -13.9 -24.5 -0.7 51 55 A T H X S+ 0 0 67 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.856 114.0 44.8 -66.7 -41.4 -15.9 -26.9 -2.9 52 56 A M H X S+ 0 0 43 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.909 113.4 50.3 -70.6 -42.0 -17.7 -24.1 -4.7 53 57 A F H X S+ 0 0 0 -4,-3.5 4,-2.7 -5,-0.2 -2,-0.2 0.931 111.6 48.7 -57.9 -44.6 -14.4 -22.1 -5.3 54 58 A L H X S+ 0 0 62 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.905 110.2 52.1 -60.1 -42.8 -12.7 -25.3 -6.6 55 59 A S H <>S+ 0 0 45 -4,-1.8 5,-3.1 2,-0.2 -2,-0.2 0.884 111.8 45.3 -59.3 -47.1 -15.8 -25.9 -9.0 56 60 A M H ><5S+ 0 0 4 -4,-2.4 3,-2.0 3,-0.2 -2,-0.2 0.915 109.6 55.5 -66.5 -42.4 -15.6 -22.4 -10.4 57 61 A L H 3<5S+ 0 0 58 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.874 108.1 49.5 -52.9 -41.2 -11.7 -22.7 -10.8 58 62 A L T 3<5S- 0 0 126 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.291 130.6 -95.9 -85.6 5.9 -12.2 -25.8 -12.9 59 63 A G T < 5S+ 0 0 59 -3,-2.0 3,-0.3 1,-0.3 -3,-0.2 0.641 83.5 121.2 91.6 19.8 -14.9 -24.0 -15.1 60 64 A Y < + 0 0 167 -5,-3.1 -1,-0.3 1,-0.2 3,-0.1 -0.608 52.4 44.7-101.8 170.4 -18.2 -25.0 -13.5 61 65 A G S S+ 0 0 8 1,-0.2 16,-1.5 -2,-0.2 15,-0.9 0.680 84.7 118.6 76.9 22.4 -20.9 -22.7 -12.1 62 66 A L E +A 75 0A 52 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.955 32.7 167.2-129.0 134.6 -20.9 -20.3 -14.9 63 67 A T E -A 74 0A 56 11,-2.4 11,-2.5 -2,-0.4 2,-0.4 -0.919 31.4-118.4-138.6 165.7 -23.6 -19.3 -17.4 64 68 A M E -A 73 0A 88 -2,-0.3 7,-0.0 9,-0.2 -2,-0.0 -0.901 25.2-169.9-106.9 132.6 -24.3 -16.5 -20.0 65 69 A V E -A 72 0A 7 7,-2.4 7,-2.0 -2,-0.4 2,-0.5 -0.986 18.2-133.9-123.5 125.8 -27.3 -14.1 -19.6 66 70 A P E +A 71 0A 55 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.662 46.6 132.7 -77.9 120.3 -28.5 -11.6 -22.3 67 71 A F E > +A 70 0A 11 3,-1.9 3,-1.5 -2,-0.5 59,-0.1 -0.930 59.4 23.1-156.0 155.5 -29.2 -8.1 -21.0 68 72 A G T 3 S- 0 0 57 57,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.693 130.1 -59.4 66.3 18.0 -28.4 -4.6 -22.1 69 73 A G T 3 S+ 0 0 87 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.457 117.6 74.7 91.4 1.6 -27.8 -5.8 -25.8 70 74 A E E < S-A 67 0A 128 -3,-1.5 -3,-1.9 -5,-0.1 2,-0.6 -0.899 83.3 -98.5-146.2 171.0 -25.0 -8.3 -25.0 71 75 A Q E -A 66 0A 116 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.852 42.6-165.0 -96.6 116.8 -24.2 -11.7 -23.6 72 76 A N E -A 65 0A 17 -7,-2.0 -7,-2.4 -2,-0.6 2,-0.2 -0.883 18.1-125.1-115.8 129.0 -22.9 -11.4 -20.0 73 77 A P E -A 64 0A 29 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.503 29.5-176.9 -72.4 137.4 -21.0 -14.0 -17.9 74 78 A I E -A 63 0A 1 -11,-2.5 -11,-2.4 -2,-0.2 2,-1.2 -0.989 22.9-142.9-139.5 121.7 -22.6 -14.8 -14.5 75 79 A Y E > +A 62 0A 12 -2,-0.3 3,-0.6 -13,-0.2 4,-0.3 -0.693 23.8 173.3 -86.4 96.1 -21.2 -17.1 -11.8 76 80 A W T >> + 0 0 118 -2,-1.2 3,-1.5 -15,-0.9 4,-0.8 0.766 67.4 74.0 -75.9 -23.8 -24.3 -18.9 -10.3 77 81 A A H 3> S+ 0 0 3 -16,-1.5 4,-1.7 1,-0.3 -1,-0.2 0.763 83.5 69.4 -62.1 -29.3 -22.4 -21.3 -8.1 78 82 A R H <> S+ 0 0 3 -3,-0.6 4,-2.5 -17,-0.3 -1,-0.3 0.878 97.5 51.7 -48.3 -42.8 -21.6 -18.4 -5.8 79 83 A Y H <> S+ 0 0 8 -3,-1.5 4,-2.2 -4,-0.3 -1,-0.2 0.839 104.1 56.2 -70.2 -28.5 -25.4 -18.5 -4.9 80 84 A A H X S+ 0 0 24 -4,-0.8 4,-0.8 -3,-0.2 -1,-0.2 0.849 109.8 46.8 -72.0 -34.6 -25.2 -22.2 -4.1 81 85 A D H >X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 3,-1.0 0.975 115.3 44.1 -64.4 -59.7 -22.4 -21.5 -1.6 82 86 A W H 3X S+ 0 0 22 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.804 100.3 69.1 -59.1 -33.7 -24.2 -18.6 0.1 83 87 A L H 3< S+ 0 0 78 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.915 117.9 23.5 -54.5 -39.3 -27.6 -20.4 0.2 84 88 A F H S+ 0 0 26 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.838 109.1 56.5 -68.3 -32.7 -27.6 -19.3 7.5 88 92 A L H X S+ 0 0 35 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.925 107.8 49.3 -61.3 -42.5 -24.8 -21.4 9.2 89 93 A L H X S+ 0 0 4 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.924 110.8 49.0 -60.4 -45.7 -23.2 -18.0 10.1 90 94 A L H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.889 107.9 55.3 -58.9 -41.1 -26.5 -16.7 11.5 91 95 A L H X S+ 0 0 55 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.927 103.7 54.4 -60.7 -45.2 -26.9 -19.9 13.5 92 96 A D H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.932 111.8 45.4 -47.6 -52.0 -23.5 -19.4 15.2 93 97 A L H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.933 112.3 50.5 -60.8 -42.7 -24.6 -15.9 16.2 94 98 A A H <>S+ 0 0 3 -4,-2.6 5,-2.6 1,-0.2 4,-0.4 0.852 110.8 48.7 -66.0 -38.5 -28.0 -17.1 17.5 95 99 A L H ><5S+ 0 0 64 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.861 106.2 57.5 -67.9 -40.1 -26.4 -19.9 19.6 96 100 A L H 3<5S+ 0 0 9 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.861 117.4 31.7 -60.5 -37.3 -24.0 -17.5 21.1 97 101 A V T 3<5S- 0 0 0 -4,-1.5 -1,-0.2 70,-0.1 -2,-0.2 0.326 107.6-117.2-101.6 5.0 -26.9 -15.2 22.4 98 102 A D T < 5 - 0 0 111 -3,-0.7 -3,-0.2 -4,-0.4 -4,-0.1 0.913 43.4-166.2 57.7 51.9 -29.5 -17.9 23.1 99 103 A A < - 0 0 13 -5,-2.6 -1,-0.1 1,-0.1 2,-0.1 -0.243 24.9 -94.0 -68.2 156.2 -32.0 -16.5 20.5 100 104 A D > - 0 0 86 1,-0.1 4,-1.9 4,-0.0 3,-0.3 -0.381 27.9-120.7 -66.6 150.2 -35.6 -17.7 20.5 101 105 A Q H > S+ 0 0 176 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.873 114.3 53.2 -55.0 -46.5 -36.6 -20.5 18.1 102 106 A G H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.845 106.8 52.7 -60.0 -39.4 -39.2 -18.2 16.3 103 107 A T H > S+ 0 0 48 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.890 108.5 49.9 -60.9 -43.7 -36.4 -15.6 15.7 104 108 A I H X S+ 0 0 43 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.897 110.1 49.8 -64.3 -44.7 -34.1 -18.1 14.1 105 109 A L H X S+ 0 0 135 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.922 112.0 49.1 -60.3 -46.0 -36.8 -19.4 11.7 106 110 A A H X S+ 0 0 42 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.896 113.0 46.4 -59.6 -46.2 -37.6 -15.8 10.7 107 111 A L H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.901 112.7 48.3 -63.8 -43.3 -33.9 -15.0 10.1 108 112 A V H X S+ 0 0 61 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.906 112.5 50.8 -66.6 -38.6 -33.3 -18.2 8.1 109 113 A G H X S+ 0 0 38 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.919 111.0 47.4 -56.7 -48.3 -36.5 -17.4 6.0 110 114 A A H X S+ 0 0 11 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.890 110.6 52.7 -59.7 -40.8 -35.3 -13.9 5.4 111 115 A D H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.889 107.7 51.3 -67.3 -42.0 -31.9 -15.2 4.4 112 116 A G H X S+ 0 0 30 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.894 110.2 48.8 -59.7 -45.7 -33.4 -17.7 1.9 113 117 A I H X S+ 0 0 93 -4,-2.1 4,-3.0 2,-0.2 5,-0.4 0.934 110.1 53.2 -54.8 -49.8 -35.4 -14.8 0.3 114 118 A M H X S+ 0 0 18 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.944 116.6 37.0 -52.4 -52.3 -32.1 -12.7 0.1 115 119 A I H X S+ 0 0 12 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.922 118.3 49.5 -73.5 -43.6 -30.2 -15.3 -1.7 116 120 A G H X S+ 0 0 31 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.917 115.3 42.5 -62.1 -48.3 -33.1 -16.6 -3.9 117 121 A T H X S+ 0 0 17 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.857 112.0 55.6 -68.1 -34.0 -34.1 -13.2 -5.1 118 122 A G H X S+ 0 0 6 -4,-2.0 4,-2.5 -5,-0.4 -2,-0.2 0.939 111.3 45.2 -57.9 -48.2 -30.4 -12.2 -5.6 119 123 A L H X S+ 0 0 51 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.912 110.8 51.2 -64.5 -47.4 -30.1 -15.3 -7.9 120 124 A V H >X S+ 0 0 65 -4,-2.6 3,-0.5 2,-0.2 4,-0.5 0.929 111.5 50.3 -52.1 -47.0 -33.3 -14.5 -9.8 121 125 A G H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.951 107.0 53.7 -53.9 -48.1 -32.0 -11.0 -10.3 122 126 A A H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.743 113.7 42.4 -60.5 -26.5 -28.7 -12.3 -11.6 123 127 A L H << S+ 0 0 71 -4,-1.4 -1,-0.3 -3,-0.5 2,-0.2 0.374 86.4 119.0-100.6 1.4 -30.5 -14.4 -14.2 124 128 A T << - 0 0 23 -3,-1.5 6,-0.1 -4,-0.5 -59,-0.0 -0.525 47.3-159.7 -84.6 135.5 -33.1 -11.8 -15.3 125 129 A K S S+ 0 0 143 -2,-0.2 2,-0.6 -58,-0.1 -57,-0.3 0.633 71.5 79.5 -87.7 -20.6 -33.1 -10.8 -19.0 126 130 A V S >> S- 0 0 78 1,-0.2 4,-1.3 -59,-0.1 3,-0.5 -0.867 77.6-142.7 -93.7 119.0 -35.0 -7.4 -18.8 127 131 A Y H >> S+ 0 0 81 -2,-0.6 3,-0.8 1,-0.3 4,-0.7 0.884 94.8 47.6 -55.6 -48.4 -32.3 -5.0 -17.6 128 132 A S H >> S+ 0 0 79 1,-0.2 4,-0.9 2,-0.2 3,-0.6 0.852 106.6 57.6 -69.7 -28.1 -34.5 -2.8 -15.4 129 133 A Y H <> S+ 0 0 138 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.773 92.2 70.4 -72.4 -23.0 -36.1 -5.9 -13.6 130 134 A R H S+ 0 0 147 -4,-2.2 4,-2.8 2,-0.2 5,-0.7 0.902 110.9 46.3 -60.7 -46.0 -31.7 -4.9 11.9 147 151 A V H <>S+ 0 0 22 -4,-2.3 5,-3.0 3,-0.2 6,-0.3 0.909 113.6 48.7 -66.3 -42.6 -32.5 -8.0 14.0 148 152 A L H <>S+ 0 0 0 -4,-2.8 5,-0.7 3,-0.2 -2,-0.2 0.921 117.9 41.4 -58.1 -41.6 -28.8 -8.7 14.6 149 153 A F H <5S+ 0 0 98 -4,-2.4 4,-0.2 -5,-0.2 -2,-0.2 0.934 131.9 18.8 -78.2 -47.8 -28.1 -5.1 15.7 150 154 A F T X5S+ 0 0 120 -4,-2.8 4,-1.4 -5,-0.2 -3,-0.2 0.940 132.3 36.1 -90.1 -57.7 -31.2 -4.4 17.8 151 155 A G H >< S+ 0 0 74 -4,-2.0 3,-1.7 1,-0.2 4,-0.2 0.898 107.9 58.2 -55.5 -44.0 -30.3 -10.9 24.1 156 160 A A H >< S+ 0 0 1 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.790 93.2 68.2 -58.8 -30.0 -26.5 -10.6 24.5 157 161 A E T 3< S+ 0 0 151 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.642 94.0 56.8 -66.2 -18.3 -26.9 -8.2 27.4 158 162 A S T < S+ 0 0 90 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.543 97.7 79.1 -89.1 -5.8 -28.4 -11.1 29.5 159 163 A M S < S- 0 0 58 -3,-1.6 -62,-0.0 -4,-0.2 -3,-0.0 -0.386 99.6 -75.4 -90.8 170.6 -25.2 -13.3 29.0 160 164 A R >> - 0 0 127 -2,-0.1 4,-2.5 1,-0.1 3,-1.0 -0.372 48.9-109.9 -67.4 150.5 -21.9 -13.0 30.8 161 165 A P H 3> S+ 0 0 110 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.819 116.6 55.9 -57.5 -33.5 -19.7 -10.0 29.7 162 166 A E H 3> S+ 0 0 26 2,-0.2 4,-1.7 1,-0.2 62,-0.2 0.879 110.9 45.3 -69.2 -30.4 -17.1 -12.1 27.9 163 167 A V H <> S+ 0 0 11 -3,-1.0 4,-2.9 2,-0.2 5,-0.2 0.930 113.6 50.5 -68.1 -49.7 -19.9 -13.8 25.8 164 168 A A H X S+ 0 0 12 -4,-2.5 4,-2.1 -8,-0.2 -2,-0.2 0.906 110.8 48.7 -55.1 -39.5 -21.5 -10.4 25.1 165 169 A S H X S+ 0 0 67 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.907 110.5 49.3 -78.3 -33.7 -18.1 -8.9 24.0 166 170 A T H X S+ 0 0 15 -4,-1.7 4,-2.1 -5,-0.2 5,-0.2 0.950 111.6 51.4 -60.8 -47.7 -17.3 -11.8 21.6 167 171 A F H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.892 106.8 53.6 -53.1 -44.7 -20.8 -11.4 20.1 168 172 A K H X S+ 0 0 94 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.913 108.2 48.1 -63.9 -42.4 -20.3 -7.7 19.6 169 173 A V H X S+ 0 0 71 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.927 115.4 45.4 -57.2 -50.9 -17.0 -8.2 17.6 170 174 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.877 113.3 50.8 -58.4 -44.4 -18.7 -10.9 15.4 171 175 A R H X S+ 0 0 29 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.905 111.4 47.2 -55.5 -47.9 -21.8 -8.6 15.0 172 176 A N H X S+ 0 0 78 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.898 112.0 49.7 -68.6 -42.4 -19.6 -5.7 14.0 173 177 A V H X S+ 0 0 38 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.926 113.2 48.2 -56.8 -52.4 -17.6 -7.8 11.5 174 178 A T H X S+ 0 0 5 -4,-2.7 4,-2.7 2,-0.2 5,-0.4 0.934 110.5 48.8 -52.8 -53.5 -20.9 -9.1 10.0 175 179 A V H X S+ 0 0 43 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.930 115.3 44.9 -54.8 -46.8 -22.6 -5.7 9.6 176 180 A V H X S+ 0 0 99 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.951 119.8 38.7 -66.4 -51.7 -19.5 -4.2 7.9 177 181 A L H >X S+ 0 0 28 -4,-2.4 3,-1.3 -5,-0.2 4,-0.6 0.937 116.8 48.3 -63.5 -53.4 -18.8 -7.1 5.5 178 182 A W H >< S+ 0 0 15 -4,-2.7 3,-1.0 -5,-0.3 -1,-0.2 0.864 104.8 60.6 -59.1 -34.9 -22.4 -8.0 4.6 179 183 A S H 3< S+ 0 0 56 -4,-1.7 4,-0.4 -5,-0.4 -1,-0.2 0.707 98.7 59.0 -69.9 -16.9 -23.4 -4.4 3.9 180 184 A A H S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.863 111.1 51.5 -62.4 -30.9 -25.2 -5.2 -2.5 183 187 A V H > S+ 0 0 81 -4,-0.4 4,-2.0 -3,-0.3 5,-0.2 0.940 108.8 48.7 -68.4 -46.3 -22.8 -2.4 -3.6 184 188 A V H X S+ 0 0 14 -4,-2.1 4,-1.8 1,-0.2 7,-0.2 0.925 114.1 47.7 -59.6 -46.0 -20.4 -4.8 -5.3 185 189 A W H < S+ 0 0 15 -4,-2.5 6,-0.7 1,-0.2 5,-0.2 0.936 110.4 51.8 -58.7 -51.2 -23.3 -6.4 -7.2 186 190 A L H < S+ 0 0 61 -4,-2.5 6,-3.7 1,-0.2 -1,-0.2 0.877 120.1 32.6 -51.7 -43.8 -24.9 -3.0 -8.2 187 191 A I H < S+ 0 0 59 -4,-2.0 8,-2.0 4,-0.2 7,-1.7 0.609 111.4 72.9 -94.3 -13.4 -21.6 -1.7 -9.7 188 192 A G S ><>S- 0 0 0 -4,-1.8 5,-2.6 -5,-0.2 3,-1.4 -0.018 105.8 -63.8 -94.5-161.4 -20.1 -5.0 -11.1 189 193 A S T 3 5S+ 0 0 21 6,-0.3 -4,-0.1 1,-0.3 8,-0.1 0.675 129.1 53.5 -66.0 -16.1 -20.8 -7.4 -13.9 190 194 A E T 3 5S+ 0 0 3 -5,-0.2 -1,-0.3 -6,-0.2 -4,-0.1 0.708 124.2 15.0 -86.9 -23.3 -24.3 -8.4 -12.6 191 195 A G T < 5S- 0 0 0 -3,-1.4 -4,-0.2 -6,-0.7 -5,-0.2 0.407 133.6 -1.4-116.2-109.6 -25.6 -4.8 -12.3 192 196 A A T 5S- 0 0 45 -6,-3.7 -5,-0.2 -7,-0.2 -3,-0.2 0.663 77.7-131.9 -69.6 -20.5 -24.2 -1.7 -13.9 193 197 A G < + 0 0 53 -5,-2.6 -5,-0.2 2,-0.1 -4,-0.2 0.791 69.6 120.4 77.0 24.8 -21.1 -3.2 -15.6 194 198 A I + 0 0 130 -7,-1.7 -6,-0.2 -6,-0.3 -7,-0.1 0.925 64.6 51.6 -86.7 -50.8 -18.7 -0.6 -14.3 195 199 A V S S- 0 0 25 -8,-2.0 -6,-0.3 -11,-0.2 -1,-0.2 -0.780 95.9-119.2 -84.5 124.3 -16.2 -2.8 -12.3 196 200 A P >> - 0 0 70 0, 0.0 4,-2.8 0, 0.0 3,-0.6 -0.209 22.3-104.1 -70.7 159.1 -14.9 -5.7 -14.5 197 201 A L H 3> S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.808 116.8 54.8 -48.8 -40.2 -15.4 -9.3 -13.7 198 202 A N H 3> S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.886 112.5 41.6 -66.2 -38.6 -11.8 -9.9 -12.5 199 203 A I H <> S+ 0 0 78 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.906 112.9 54.3 -77.6 -43.2 -11.9 -7.1 -10.0 200 204 A E H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.881 107.7 50.4 -50.2 -42.2 -15.4 -8.1 -8.8 201 205 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.920 109.4 52.0 -66.1 -44.4 -14.1 -11.7 -8.2 202 206 A L H X S+ 0 0 53 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.892 111.4 47.4 -51.8 -49.2 -11.2 -10.2 -6.2 203 207 A L H X S+ 0 0 65 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.934 112.6 46.1 -63.4 -51.6 -13.7 -8.2 -4.1 204 208 A F H X S+ 0 0 3 -4,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.891 112.0 53.7 -59.5 -36.5 -16.1 -11.1 -3.4 205 209 A M H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.919 110.3 46.0 -63.2 -42.9 -13.1 -13.4 -2.5 206 210 A V H X S+ 0 0 75 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.924 115.7 46.2 -67.2 -47.8 -11.8 -10.9 0.1 207 211 A L H X S+ 0 0 24 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.949 114.7 47.2 -53.2 -52.6 -15.2 -10.4 1.6 208 212 A D H X S+ 0 0 0 -4,-3.2 4,-1.2 -5,-0.2 5,-0.4 0.904 113.0 47.6 -57.7 -49.2 -16.0 -14.2 1.7 209 213 A V H X>S+ 0 0 24 -4,-2.6 5,-2.0 1,-0.2 4,-1.5 0.918 115.7 45.5 -61.9 -43.7 -12.6 -15.1 3.2 210 214 A S H <>S+ 0 0 48 -4,-2.1 5,-1.5 -5,-0.2 -2,-0.2 0.907 114.3 48.6 -63.2 -44.9 -12.9 -12.4 5.9 211 215 A A H <5S+ 0 0 4 -4,-2.9 -1,-0.2 3,-0.2 -2,-0.2 0.614 127.3 23.3 -71.1 -19.1 -16.6 -13.3 6.6 212 216 A K H X5S+ 0 0 3 -4,-1.2 4,-2.1 -3,-0.4 -3,-0.2 0.732 133.1 29.1-114.4 -61.2 -15.9 -17.1 7.0 213 217 A V H X5S+ 0 0 19 -4,-1.5 4,-2.4 -5,-0.4 -3,-0.2 0.929 126.8 44.5 -75.5 -40.0 -12.2 -17.7 7.9 214 218 A G H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 6,-0.4 0.941 114.3 49.6 -58.5 -51.8 -15.1 -17.2 17.3 220 224 A L H 3< S+ 0 0 10 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.631 109.1 51.0 -77.1 -12.9 -13.1 -20.4 17.8 221 225 A R T 3< S+ 0 0 168 -4,-1.1 -1,-0.3 -3,-0.3 2,-0.2 0.421 92.0 100.3 -92.5 -5.1 -10.3 -18.8 19.8 222 226 A S S X S- 0 0 17 -3,-1.5 3,-0.7 -4,-0.3 4,-0.1 -0.554 73.2-137.0 -79.1 150.6 -12.8 -17.2 22.2 223 227 A R G > S+ 0 0 177 -2,-0.2 3,-1.7 1,-0.2 -1,-0.1 0.645 93.4 86.6 -67.4 -16.3 -13.5 -18.6 25.7 224 228 A A G 3 S+ 0 0 9 1,-0.3 -1,-0.2 -62,-0.2 -61,-0.1 0.758 78.0 60.4 -61.2 -29.6 -17.2 -17.7 24.8 225 229 A I G < S+ 0 0 1 -3,-0.7 -1,-0.3 -6,-0.4 -187,-0.2 0.568 85.5 105.1 -74.7 -8.5 -17.9 -21.1 23.0 226 230 A F < 0 0 95 -3,-1.7 -3,-0.0 -192,-0.1 0, 0.0 -0.527 360.0 360.0 -86.9 139.7 -17.1 -23.2 26.2 227 231 A G 0 0 77 -2,-0.2 -1,-0.1 0, 0.0 -3,-0.0 0.717 360.0 360.0 -83.0 360.0 -19.7 -25.0 28.4