==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTORECEPTOR 30-JUL-99 1QKO . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARIUM; . AUTHOR K.EDMAN,P.NOLLERT,A.ROYANT,H.BELRHALI,E.PEBAY-PEYROULA, . 227 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10198.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 89.0 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 . 5 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 2 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 95 0, 0.0 2,-3.9 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0-160.4 19.9 35.2 -16.5 2 6 A G T 4 + 0 0 36 1,-0.2 60,-0.0 2,-0.1 0, 0.0 -0.094 360.0 46.9 -51.7 50.5 19.4 31.6 -15.3 3 7 A R T >4 S+ 0 0 162 -2,-3.9 3,-2.7 0, 0.0 4,-0.3 0.266 95.9 49.8-149.1 -73.6 22.9 30.3 -15.9 4 8 A P T >4 S+ 0 0 76 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.876 112.7 51.0 -44.8 -48.4 26.1 32.1 -14.8 5 9 A E T >X S+ 0 0 1 -4,-0.6 4,-1.6 1,-0.2 3,-0.5 0.377 78.7 103.4 -74.9 6.0 24.8 32.7 -11.3 6 10 A W H <> S+ 0 0 115 -3,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.845 74.4 58.2 -58.2 -35.0 23.9 29.0 -10.8 7 11 A I H <> S+ 0 0 66 -3,-0.8 4,-2.3 -4,-0.3 -1,-0.2 0.875 105.8 47.0 -64.6 -39.0 26.9 28.3 -8.6 8 12 A W H <> S+ 0 0 66 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.846 113.7 50.2 -70.3 -33.9 26.0 30.9 -6.0 9 13 A L H X S+ 0 0 2 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.901 112.9 45.3 -70.0 -41.4 22.5 29.6 -6.0 10 14 A A H X S+ 0 0 26 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.882 114.7 48.1 -69.7 -37.9 23.7 26.0 -5.5 11 15 A L H X S+ 0 0 67 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.895 112.6 49.5 -68.1 -40.9 26.2 27.1 -2.8 12 16 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.929 110.4 50.0 -63.4 -44.9 23.4 29.1 -1.1 13 17 A T H X S+ 0 0 14 -4,-2.6 4,-2.1 40,-0.2 -2,-0.2 0.948 113.6 45.9 -58.6 -48.7 21.1 26.1 -1.3 14 18 A A H X S+ 0 0 49 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.893 113.0 49.2 -61.6 -44.0 23.8 23.8 0.3 15 19 A L H X S+ 0 0 61 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.876 112.7 46.8 -67.6 -34.4 24.8 26.3 3.0 16 20 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.875 113.2 49.3 -72.3 -41.4 21.2 26.9 4.1 17 21 A G H X S+ 0 0 14 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.913 111.4 48.1 -64.1 -40.2 20.4 23.2 4.1 18 22 A L H X S+ 0 0 110 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.878 111.9 50.4 -68.5 -37.8 23.5 22.4 6.2 19 23 A G H X S+ 0 0 6 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.905 108.6 52.1 -66.2 -41.6 22.7 25.1 8.6 20 24 A T H X S+ 0 0 16 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.929 112.0 45.7 -59.6 -48.0 19.2 23.9 9.0 21 25 A L H X S+ 0 0 104 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.896 112.1 51.6 -63.5 -42.3 20.3 20.4 9.8 22 26 A Y H X S+ 0 0 113 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.965 112.4 44.7 -59.7 -52.3 23.0 21.6 12.2 23 27 A F H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.872 112.6 53.6 -59.0 -38.9 20.5 23.7 14.2 24 28 A L H X S+ 0 0 91 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.933 113.8 40.2 -60.8 -50.2 18.0 20.8 14.1 25 29 A V H >X S+ 0 0 97 -4,-2.6 3,-1.6 1,-0.2 4,-0.6 0.949 115.1 51.8 -64.5 -49.8 20.5 18.3 15.6 26 30 A K H >< S+ 0 0 59 -4,-3.1 3,-0.7 1,-0.3 -2,-0.2 0.863 108.1 53.6 -55.4 -37.7 21.9 20.9 18.0 27 31 A G H 3< S+ 0 0 19 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.589 85.6 81.2 -76.3 -11.1 18.4 21.6 19.2 28 32 A M H << S+ 0 0 157 -3,-1.6 2,-1.9 -4,-0.5 -1,-0.2 0.895 85.7 62.8 -60.9 -37.6 17.6 18.0 20.0 29 33 A G S << S+ 0 0 71 -3,-0.7 2,-0.3 -4,-0.6 -1,-0.3 -0.541 84.0 112.7 -86.3 71.4 19.4 18.5 23.2 30 34 A V + 0 0 27 -2,-1.9 -3,-0.0 -3,-0.2 -4,-0.0 -0.897 21.2 149.9-150.0 117.1 16.9 21.2 24.4 31 35 A S + 0 0 110 -2,-0.3 -1,-0.1 5,-0.0 5,-0.1 0.733 46.4 103.1-111.0 -40.2 14.5 21.0 27.3 32 36 A D > - 0 0 43 1,-0.1 4,-2.1 2,-0.1 5,-0.1 -0.242 67.8-138.2 -52.7 124.8 14.2 24.6 28.5 33 37 A P H > S+ 0 0 88 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.882 101.8 41.2 -50.5 -50.3 10.9 26.2 27.2 34 38 A D H > S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 3,-0.2 0.874 111.3 54.8 -70.8 -38.5 12.5 29.5 26.3 35 39 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.869 105.6 57.3 -61.3 -33.8 15.6 28.0 24.8 36 40 A K H X S+ 0 0 112 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.860 101.5 53.4 -64.5 -39.9 13.1 26.0 22.6 37 41 A K H X S+ 0 0 102 -4,-1.2 4,-2.7 1,-0.2 5,-0.2 0.935 109.7 48.3 -61.7 -46.2 11.5 29.1 21.2 38 42 A F H X S+ 0 0 10 -4,-1.8 4,-2.2 187,-0.2 -1,-0.2 0.847 113.5 47.3 -62.5 -36.4 14.8 30.4 20.1 39 43 A Y H X S+ 0 0 18 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.893 112.6 48.5 -72.5 -41.0 15.7 27.1 18.5 40 44 A A H X S+ 0 0 65 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.936 116.2 43.0 -64.2 -47.8 12.4 26.8 16.7 41 45 A I H X S+ 0 0 17 -4,-2.7 4,-1.1 -5,-0.2 -2,-0.2 0.961 117.3 46.0 -61.2 -53.2 12.5 30.3 15.4 42 46 A T H < S+ 0 0 2 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.783 111.9 49.3 -64.0 -33.1 16.2 30.1 14.4 43 47 A T H X S+ 0 0 16 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.850 105.9 57.8 -76.6 -33.6 16.0 26.7 12.7 44 48 A L H X S+ 0 0 81 -4,-1.6 4,-2.2 -5,-0.2 5,-0.2 0.796 96.4 65.6 -65.4 -30.3 13.0 27.7 10.6 45 49 A V H X S+ 0 0 0 -4,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.945 107.4 35.9 -59.4 -54.9 14.8 30.7 9.0 46 50 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.823 113.6 60.8 -69.5 -30.8 17.5 28.6 7.1 47 51 A A H X S+ 0 0 29 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.930 109.0 41.8 -61.5 -45.1 14.9 26.0 6.4 48 52 A I H X S+ 0 0 43 -4,-2.2 4,-2.0 2,-0.2 3,-0.2 0.946 115.1 49.4 -65.9 -51.3 12.7 28.5 4.5 49 53 A A H X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.863 106.1 59.3 -57.0 -37.3 15.7 30.1 2.7 50 54 A F H X S+ 0 0 75 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.934 106.9 45.7 -56.9 -48.1 16.8 26.6 1.7 51 55 A T H X S+ 0 0 64 -4,-1.6 4,-1.9 -3,-0.2 -1,-0.2 0.881 115.3 46.0 -64.3 -39.3 13.6 26.0 -0.1 52 56 A M H X S+ 0 0 40 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.860 110.9 52.6 -73.2 -37.2 13.6 29.4 -1.8 53 57 A Y H X S+ 0 0 0 -4,-3.2 4,-2.4 -5,-0.2 -40,-0.2 0.919 110.8 48.5 -60.8 -40.4 17.3 29.1 -2.8 54 58 A L H X S+ 0 0 59 -4,-2.2 4,-2.6 -5,-0.2 6,-0.2 0.880 107.2 54.9 -66.3 -40.1 16.5 25.7 -4.3 55 59 A S H <>S+ 0 0 15 -4,-1.9 6,-1.5 1,-0.2 5,-1.4 0.871 111.3 45.8 -61.9 -35.9 13.5 27.2 -6.2 56 60 A M H ><5S+ 0 0 2 -4,-1.8 3,-0.9 4,-0.2 -2,-0.2 0.911 110.9 52.1 -72.1 -42.5 15.8 29.8 -7.7 57 61 A L H 3<5S+ 0 0 56 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.905 112.6 45.5 -59.1 -42.8 18.5 27.2 -8.6 58 62 A L T 3<5S- 0 0 130 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.533 118.6-113.1 -78.7 -7.8 15.9 25.0 -10.4 59 63 A G T X 5S+ 0 0 38 -3,-0.9 3,-0.9 -4,-0.4 -3,-0.2 0.347 87.8 110.7 93.9 -5.8 14.5 28.1 -12.1 60 64 A Y T 3 +A 70 0A 13 3,-2.0 3,-1.4 -2,-0.4 59,-0.1 -0.947 57.3 28.0-172.7 156.1 11.4 47.8 -18.0 68 72 A G T 3 S- 0 0 57 57,-0.4 3,-0.1 -2,-0.3 58,-0.1 0.390 131.8 -60.6 67.3 -8.2 13.9 50.4 -19.1 69 73 A G T 3 S+ 0 0 73 1,-0.4 2,-0.3 0, 0.0 -1,-0.3 0.673 116.3 86.4 106.2 25.7 13.4 48.9 -22.5 70 74 A E E < S-A 67 0A 132 -3,-1.4 -3,-2.0 -5,-0.1 2,-0.9 -0.946 80.4-106.3-149.4 167.3 14.5 45.3 -21.8 71 75 A Q E -A 66 0A 113 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.852 44.7-162.3 -99.1 99.5 13.3 41.9 -20.5 72 76 A N E -A 65 0A 25 -7,-2.6 -7,-3.0 -2,-0.9 2,-0.4 -0.747 16.6-128.9 -95.0 123.8 15.0 41.7 -17.1 73 77 A P E -A 64 0A 22 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.505 30.8-173.7 -68.4 120.7 15.4 38.4 -15.2 74 78 A I E -A 63 0A 0 -11,-4.3 -11,-2.2 -2,-0.4 2,-1.3 -0.972 22.7-145.4-124.1 120.2 14.1 38.9 -11.7 75 79 A Y E > +A 62 0A 4 -2,-0.5 3,-0.7 -13,-0.2 4,-0.3 -0.692 24.7 172.0 -83.5 94.1 14.4 36.3 -8.9 76 80 A W T >> + 0 0 78 -2,-1.3 3,-1.1 -15,-0.5 4,-1.1 0.699 64.0 80.3 -76.1 -21.0 11.1 36.9 -7.1 77 81 A A H 3> S+ 0 0 0 -16,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.784 80.2 70.3 -57.7 -26.1 11.6 33.9 -4.8 78 82 A R H <> S+ 0 0 0 -3,-0.7 4,-3.2 -17,-0.3 -1,-0.2 0.896 98.5 46.8 -56.4 -44.4 13.9 36.1 -2.7 79 83 A Y H <> S+ 0 0 8 -3,-1.1 4,-2.9 -4,-0.3 -1,-0.2 0.831 106.9 56.8 -66.6 -31.3 10.9 38.1 -1.4 80 84 A A H X S+ 0 0 27 -4,-1.1 4,-0.8 2,-0.2 -1,-0.2 0.920 112.9 41.9 -65.8 -45.1 9.0 35.0 -0.8 81 85 A D H >X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 3,-1.0 0.977 116.4 48.0 -64.4 -57.1 12.0 34.0 1.5 82 86 A W H 3X S+ 0 0 18 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.795 100.3 66.2 -52.7 -37.6 12.4 37.5 3.1 83 87 A L H 3< S+ 0 0 77 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.791 117.8 24.7 -59.1 -36.9 8.6 37.9 3.8 84 88 A F H S+ 0 0 24 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.874 111.5 53.6 -67.1 -31.0 10.2 38.9 10.8 88 92 A L H X S+ 0 0 31 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.887 107.9 49.7 -67.0 -38.5 11.4 35.7 12.4 89 93 A L H X S+ 0 0 4 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.894 111.0 49.5 -66.3 -38.9 14.9 37.2 12.8 90 94 A L H X S+ 0 0 4 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.820 107.0 56.5 -66.5 -33.0 13.3 40.3 14.4 91 95 A L H X S+ 0 0 53 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.868 103.1 53.5 -67.6 -37.5 11.3 38.0 16.7 92 96 A D H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.942 112.0 45.2 -61.4 -47.5 14.5 36.4 18.0 93 97 A L H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.905 114.6 48.2 -62.4 -42.7 15.8 39.8 18.8 94 98 A A H <>S+ 0 0 1 -4,-2.5 5,-2.6 2,-0.2 4,-0.5 0.894 111.6 48.0 -66.2 -43.4 12.5 40.8 20.5 95 99 A L H ><5S+ 0 0 42 -4,-2.9 3,-0.8 3,-0.2 -1,-0.2 0.891 106.7 60.3 -63.3 -39.1 12.2 37.7 22.5 96 100 A L H 3<5S+ 0 0 11 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.891 115.3 31.6 -55.5 -44.9 15.8 38.1 23.6 97 101 A V T 3<5S- 0 0 2 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.349 110.7-120.1 -96.9 5.1 15.1 41.5 25.2 98 102 A D T < 5 - 0 0 118 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.911 41.4-166.5 57.5 48.2 11.5 40.5 26.2 99 103 A A < - 0 0 14 -5,-2.6 -1,-0.1 1,-0.1 2,-0.1 -0.185 22.2-103.1 -63.1 155.6 9.9 43.3 24.1 100 104 A D > - 0 0 91 1,-0.1 4,-1.7 4,-0.0 3,-0.3 -0.403 29.9-110.2 -77.5 159.2 6.2 44.2 24.6 101 105 A Q H > S+ 0 0 175 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.828 115.0 62.4 -58.6 -34.3 3.6 43.0 22.1 102 106 A G H > S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.939 107.1 41.4 -57.6 -50.4 3.1 46.6 20.9 103 107 A T H > S+ 0 0 28 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.828 112.1 56.4 -68.2 -32.9 6.7 46.9 19.7 104 108 A I H X S+ 0 0 41 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.937 108.3 46.9 -64.3 -45.2 6.7 43.4 18.2 105 109 A L H X S+ 0 0 128 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.876 110.7 53.1 -63.5 -38.7 3.7 44.2 16.1 106 110 A A H X S+ 0 0 28 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.901 112.0 45.1 -63.6 -41.9 5.3 47.5 14.9 107 111 A L H X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.910 114.7 47.1 -67.9 -45.0 8.4 45.7 13.8 108 112 A V H X S+ 0 0 67 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.902 114.9 47.5 -64.3 -41.7 6.6 42.9 12.1 109 113 A G H X S+ 0 0 38 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.927 112.5 47.5 -66.2 -46.0 4.3 45.4 10.3 110 114 A A H X S+ 0 0 13 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.865 112.2 52.1 -62.1 -35.6 7.2 47.6 9.3 111 115 A D H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.886 106.6 52.2 -68.3 -40.6 9.0 44.5 8.0 112 116 A G H X S+ 0 0 30 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.892 111.1 47.8 -63.3 -39.3 6.0 43.4 6.0 113 117 A I H X S+ 0 0 95 -4,-2.0 4,-3.0 2,-0.2 5,-0.4 0.932 109.9 53.0 -66.5 -44.6 5.9 46.8 4.3 114 118 A M H X S+ 0 0 16 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.923 116.9 36.7 -56.0 -49.4 9.6 46.7 3.7 115 119 A I H X S+ 0 0 13 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.918 117.2 51.9 -72.8 -42.8 9.5 43.4 1.9 116 120 A G H X S+ 0 0 32 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.926 113.3 43.0 -59.2 -48.5 6.2 44.0 0.2 117 121 A T H X S+ 0 0 17 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.833 110.9 57.0 -68.8 -29.8 7.2 47.3 -1.3 118 122 A G H X S+ 0 0 8 -4,-1.3 4,-1.8 -5,-0.4 -1,-0.2 0.893 108.7 46.9 -66.3 -37.5 10.5 45.8 -2.2 119 123 A L H X S+ 0 0 59 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.897 109.3 52.3 -69.8 -42.3 8.7 43.2 -4.2 120 124 A V H X S+ 0 0 63 -4,-2.1 4,-0.6 1,-0.2 3,-0.3 0.927 111.4 48.9 -59.2 -42.9 6.4 45.7 -5.9 121 125 A G H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.878 107.1 55.0 -63.8 -38.6 9.5 47.6 -6.9 122 126 A A H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.796 116.0 38.0 -64.5 -29.6 11.1 44.4 -8.3 123 127 A L H 3< S+ 0 0 70 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.367 86.4 122.2-104.5 3.1 8.1 43.8 -10.5 124 128 A T << - 0 0 19 -3,-0.7 6,-0.1 -4,-0.6 -3,-0.0 -0.458 48.9-155.7 -70.8 136.0 7.4 47.4 -11.6 125 129 A K S S+ 0 0 139 -2,-0.2 2,-0.8 1,-0.1 -57,-0.4 0.647 74.7 78.5 -87.1 -16.9 7.4 48.0 -15.3 126 130 A V S >> S- 0 0 70 1,-0.2 4,-1.2 -59,-0.1 3,-0.9 -0.851 73.9-148.2 -98.1 109.4 8.2 51.7 -15.2 127 131 A Y H >> S+ 0 0 95 -2,-0.8 3,-1.0 1,-0.3 4,-0.7 0.847 93.7 47.2 -39.3 -60.4 11.9 52.2 -14.5 128 132 A S H >> S+ 0 0 72 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.827 107.0 59.2 -57.4 -34.5 11.7 55.4 -12.5 129 133 A Y H X> S+ 0 0 134 -3,-0.9 4,-1.7 1,-0.2 3,-0.8 0.796 91.1 70.1 -65.5 -29.7 8.8 54.1 -10.4 130 134 A R H X S+ 0 0 130 -4,-2.4 4,-3.7 1,-0.2 3,-0.8 0.939 108.8 47.1 -63.2 -48.9 15.6 52.9 14.8 147 151 A V H 3X>S+ 0 0 8 -4,-2.5 4,-1.6 1,-0.2 5,-0.7 0.878 108.3 56.4 -60.5 -39.3 13.4 50.7 17.0 148 152 A L H 3<>S+ 0 0 0 -4,-2.2 5,-1.0 3,-0.2 -1,-0.2 0.739 120.6 29.6 -65.0 -23.9 16.2 48.3 17.5 149 153 A F H <<5S+ 0 0 65 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.775 133.1 27.9-104.8 -37.5 18.4 51.1 18.8 150 154 A F H <5S+ 0 0 144 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.2 0.376 132.6 32.3-108.6 2.2 16.1 53.6 20.5 151 155 A G T <5S+ 0 0 34 -4,-1.6 -3,-0.2 -5,-0.4 -4,-0.1 0.447 132.1 24.3-132.5 -10.1 13.3 51.2 21.5 152 156 A F T >>< S+ 0 0 2 -4,-1.8 3,-0.8 1,-0.2 8,-0.3 0.872 104.8 52.1 -54.0 -34.6 18.2 44.8 26.9 157 161 A E T 3< S+ 0 0 117 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.936 98.7 58.6 -66.3 -51.2 20.2 46.7 29.5 158 162 A S T 3 S+ 0 0 95 -4,-0.5 -1,-0.3 6,-0.1 2,-0.2 0.236 111.3 60.4 -66.3 19.6 17.3 46.9 32.1 159 163 A M S < S- 0 0 40 -3,-0.8 -3,-0.1 1,-0.2 -62,-0.1 -0.485 108.5 -37.4-127.3-163.2 17.5 43.1 31.7 160 164 A R > - 0 0 93 -2,-0.2 4,-2.1 1,-0.1 3,-0.3 -0.346 51.8-124.5 -66.7 144.6 20.1 40.4 32.4 161 165 A P H > S+ 0 0 108 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.895 110.7 48.9 -53.2 -50.0 23.8 41.2 31.5 162 166 A E H > S+ 0 0 68 1,-0.2 4,-1.6 2,-0.2 62,-0.2 0.814 110.5 53.0 -63.1 -31.5 24.3 38.2 29.2 163 167 A V H > S+ 0 0 8 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.898 108.5 50.7 -69.8 -41.2 21.1 39.1 27.4 164 168 A A H X S+ 0 0 19 -4,-2.1 4,-2.7 -8,-0.3 -2,-0.2 0.953 112.5 42.9 -62.2 -53.9 22.3 42.7 26.9 165 169 A S H X S+ 0 0 72 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.851 115.9 48.4 -64.5 -36.7 25.7 41.8 25.4 166 170 A T H X S+ 0 0 14 -4,-1.6 4,-2.5 -5,-0.2 5,-0.3 0.929 113.3 47.8 -68.9 -44.8 24.3 39.1 23.1 167 171 A F H X S+ 0 0 3 -4,-2.3 4,-3.4 1,-0.2 5,-0.2 0.930 109.4 54.4 -60.1 -44.2 21.6 41.4 22.0 168 172 A K H X S+ 0 0 85 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.902 110.8 44.9 -57.0 -43.8 24.1 44.1 21.3 169 173 A V H X S+ 0 0 57 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.906 116.6 44.4 -68.9 -41.6 26.2 41.8 19.1 170 174 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.878 112.7 53.2 -69.7 -36.5 23.2 40.5 17.2 171 175 A R H X S+ 0 0 26 -4,-3.4 4,-2.6 -5,-0.3 -2,-0.2 0.924 110.7 46.7 -61.3 -47.2 21.8 44.0 16.9 172 176 A N H X S+ 0 0 71 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.906 111.9 50.5 -62.2 -44.2 25.1 45.2 15.4 173 177 A V H X S+ 0 0 36 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.914 112.1 48.1 -60.1 -44.9 25.3 42.2 13.0 174 178 A T H X S+ 0 0 2 -4,-2.6 4,-2.9 2,-0.2 5,-0.4 0.947 109.8 50.6 -62.5 -51.1 21.7 42.9 11.9 175 179 A V H X S+ 0 0 28 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.914 114.6 44.6 -54.7 -46.2 22.2 46.6 11.3 176 180 A V H X S+ 0 0 102 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.936 119.5 38.7 -65.6 -50.3 25.4 46.0 9.2 177 181 A L H >X S+ 0 0 29 -4,-2.5 3,-0.9 -5,-0.2 4,-0.8 0.935 115.8 49.9 -68.8 -47.3 24.0 43.2 7.1 178 182 A W H >< S+ 0 0 13 -4,-2.9 3,-0.9 -5,-0.3 -1,-0.2 0.874 104.8 58.3 -60.1 -39.5 20.5 44.5 6.6 179 183 A S H 3X S+ 0 0 44 -4,-1.5 4,-0.7 -5,-0.4 -1,-0.2 0.745 99.5 61.1 -63.4 -22.9 21.7 47.9 5.5 180 184 A A H S+ 0 0 19 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.861 111.9 52.6 -61.9 -31.3 19.1 48.1 -0.3 183 187 A V H X S+ 0 0 81 -4,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.935 109.9 46.7 -68.0 -45.0 22.5 49.0 -1.6 184 188 A V H X S+ 0 0 11 -4,-2.3 4,-1.5 1,-0.2 7,-0.2 0.902 113.1 49.9 -62.2 -42.6 22.9 45.7 -3.5 185 189 A W H < S+ 0 0 13 -4,-2.5 6,-0.8 -5,-0.2 8,-0.3 0.898 109.8 51.8 -61.6 -43.9 19.4 46.1 -4.9 186 190 A L H < S+ 0 0 55 -4,-2.1 6,-3.5 -5,-0.2 7,-0.2 0.892 117.4 35.8 -62.9 -42.3 20.1 49.6 -6.1 187 191 A I H < S+ 0 0 58 -4,-2.0 8,-2.8 4,-0.2 7,-1.2 0.603 111.6 73.6 -89.0 -13.0 23.3 48.8 -8.0 188 192 A G S ><>S- 0 0 0 -4,-1.5 5,-2.6 5,-0.2 3,-1.1 -0.054 104.9 -70.9 -90.5-166.4 22.1 45.4 -9.3 189 193 A S T 3 5S+ 0 0 25 1,-0.3 -4,-0.1 4,-0.2 -3,-0.1 0.672 126.9 57.8 -58.8 -24.6 19.7 44.0 -11.9 190 194 A E T 3 5S+ 0 0 0 -5,-0.2 -1,-0.3 -6,-0.2 -4,-0.1 0.782 122.6 13.5 -78.0 -28.5 16.7 45.1 -9.9 191 195 A G T < 5S- 0 0 3 -3,-1.1 -4,-0.2 -6,-0.8 -5,-0.2 0.462 132.7 -9.3-111.9-110.7 17.8 48.8 -9.8 192 196 A A T 5S- 0 0 39 -6,-3.5 -5,-0.2 -7,-0.1 -3,-0.2 0.622 75.3-135.5 -73.0 -15.0 20.4 50.7 -11.8 193 197 A G < + 0 0 48 -5,-2.6 -5,-0.2 -8,-0.3 -4,-0.2 0.824 62.0 133.3 63.9 32.1 22.0 47.6 -13.3 194 198 A I + 0 0 126 -7,-1.2 -6,-0.2 -6,-0.2 -7,-0.1 0.761 68.3 49.7 -82.0 -27.3 25.5 48.7 -12.7 195 199 A V S S- 0 0 24 -8,-2.8 -6,-0.1 -11,-0.1 -1,-0.1 -0.933 95.5-115.0-112.6 133.3 26.4 45.3 -11.3 196 200 A P >> - 0 0 78 0, 0.0 4,-2.7 0, 0.0 3,-0.8 -0.307 25.6-110.4 -69.0 152.9 25.5 42.1 -13.3 197 201 A L H 3> S+ 0 0 11 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.807 117.2 61.5 -47.2 -37.8 23.0 39.6 -12.0 198 202 A N H 3> S+ 0 0 53 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.928 110.8 36.6 -57.1 -50.3 25.9 37.1 -11.5 199 203 A I H <> S+ 0 0 64 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.864 114.5 57.6 -72.7 -36.8 27.6 39.4 -9.0 200 204 A E H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.939 107.0 48.1 -58.2 -47.9 24.3 40.5 -7.5 201 205 A T H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.910 110.2 52.5 -60.0 -42.7 23.4 36.9 -6.7 202 206 A L H X S+ 0 0 47 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.927 109.4 49.6 -58.6 -46.9 26.8 36.3 -5.1 203 207 A L H X S+ 0 0 62 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.925 112.2 45.9 -59.3 -50.3 26.3 39.4 -2.9 204 208 A F H X S+ 0 0 1 -4,-2.3 4,-3.5 1,-0.2 -1,-0.2 0.863 110.4 55.4 -63.4 -35.1 22.9 38.4 -1.7 205 209 A M H X S+ 0 0 7 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.934 109.9 44.7 -64.4 -44.9 24.1 34.8 -1.1 206 210 A V H X S+ 0 0 78 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.922 117.5 45.0 -64.0 -44.1 26.9 36.0 1.2 207 211 A L H X S+ 0 0 20 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.946 113.3 51.2 -62.3 -46.4 24.6 38.4 3.0 208 212 A D H X S+ 0 0 0 -4,-3.5 4,-1.8 1,-0.2 5,-0.2 0.869 111.9 44.9 -63.0 -40.7 21.8 35.7 3.3 209 213 A V H X>S+ 0 0 25 -4,-2.3 5,-2.2 2,-0.2 4,-1.3 0.895 114.1 49.6 -69.8 -41.5 24.0 33.0 4.8 210 214 A S H <>S+ 0 0 48 -4,-1.9 5,-1.7 -5,-0.2 -2,-0.2 0.927 117.1 41.2 -67.6 -32.1 25.6 35.5 7.2 211 215 A A H <5S+ 0 0 3 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.770 125.9 33.3 -85.8 -25.6 22.2 36.8 8.3 212 216 A K H X5S+ 0 0 4 -4,-1.8 4,-1.4 -5,-0.2 -3,-0.2 0.941 136.6 16.2 -91.5 -65.3 20.5 33.4 8.5 213 217 A V H X5S+ 0 0 20 -4,-1.3 4,-2.4 -5,-0.2 -3,-0.2 0.862 127.2 49.7 -77.9 -48.8 23.3 30.9 9.6 214 218 A G H >< S+ 0 0 66 -4,-1.9 3,-0.7 2,-0.2 4,-0.3 0.956 118.3 43.3 -59.5 -51.5 26.0 33.4 17.5 219 223 A L H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 6,-0.3 0.930 114.0 47.4 -60.7 -52.3 22.6 33.3 19.1 220 224 A L H 3< S+ 0 0 4 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.497 109.3 55.8 -72.4 -4.0 22.3 29.5 19.6 221 225 A R T << S+ 0 0 176 -4,-0.7 -1,-0.3 -3,-0.7 2,-0.2 0.412 92.9 89.0-105.8 -1.5 25.8 29.3 21.1 222 226 A S S X S- 0 0 23 -3,-1.4 3,-0.7 -4,-0.3 4,-0.0 -0.629 74.5-134.5 -98.3 157.3 25.1 31.9 23.8 223 227 A R G > S+ 0 0 59 -2,-0.2 3,-1.5 1,-0.2 -60,-0.1 0.498 90.8 89.5 -84.6 -4.9 23.7 31.3 27.3 224 228 A A G 3 S+ 0 0 6 1,-0.3 -1,-0.2 -62,-0.2 -61,-0.1 0.727 76.6 65.4 -64.6 -21.0 21.3 34.3 26.8 225 229 A I G < S+ 0 0 2 -3,-0.7 2,-0.3 -6,-0.3 -1,-0.3 0.570 89.7 80.5 -79.5 -8.9 18.7 31.9 25.4 226 230 A F < 0 0 93 -3,-1.5 -3,-0.0 -192,-0.1 0, 0.0 -0.735 360.0 360.0-100.8 149.4 18.2 30.0 28.7 227 231 A G 0 0 90 -2,-0.3 -3,-0.1 0, 0.0 -2,-0.1 -0.237 360.0 360.0 -72.4 360.0 16.1 31.1 31.6