==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTON TRANSPORT 27-MAY-09 2WJK . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR M.POTSCHIES,E.HOFMANN,K.GERWERT . 210 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9747.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 86.7 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 . 5 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 0 0.0 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 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.3 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 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 3 0 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 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 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 92 0, 0.0 5,-0.2 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0-179.2 23.1 25.1 -14.9 2 6 A G + 0 0 85 4,-0.1 3,-0.1 3,-0.1 0, 0.0 0.409 360.0 86.4 -70.3 0.7 23.0 27.5 -17.8 3 7 A R S > S- 0 0 69 1,-0.1 3,-2.3 181,-0.0 4,-0.3 -0.920 72.1-144.5-112.1 125.6 23.0 30.4 -15.3 4 8 A P T > S+ 0 0 86 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.887 100.1 57.4 -49.3 -46.6 26.2 31.9 -13.9 5 9 A E T 3> S+ 0 0 7 1,-0.2 4,-1.7 2,-0.1 5,-0.2 0.370 77.9 97.8 -74.6 11.4 24.6 32.5 -10.5 6 10 A W H <> S+ 0 0 103 -3,-2.3 4,-3.7 1,-0.2 5,-0.3 0.917 78.2 55.5 -62.6 -40.0 23.6 28.9 -10.1 7 11 A I H <> S+ 0 0 66 -3,-1.0 4,-3.0 -4,-0.3 -1,-0.2 0.896 107.5 47.6 -65.3 -36.7 26.7 28.1 -7.9 8 12 A W H > S+ 0 0 62 -4,-0.3 4,-3.5 2,-0.2 -1,-0.2 0.898 114.6 47.7 -66.8 -38.2 25.8 30.9 -5.4 9 13 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.922 113.4 46.8 -68.0 -42.3 22.3 29.6 -5.3 10 14 A A H X S+ 0 0 25 -4,-3.7 4,-2.5 2,-0.2 5,-0.2 0.921 113.5 50.5 -61.9 -41.6 23.6 26.0 -4.9 11 15 A L H X S+ 0 0 63 -4,-3.0 4,-2.8 -5,-0.3 5,-0.3 0.937 109.6 48.9 -61.9 -48.1 25.9 27.3 -2.2 12 16 A G H X S+ 0 0 0 -4,-3.5 4,-3.0 2,-0.2 5,-0.4 0.946 110.9 52.4 -57.0 -44.2 23.1 29.1 -0.4 13 17 A T H X S+ 0 0 15 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.973 114.2 39.8 -55.9 -59.9 21.0 25.9 -0.6 14 18 A A H X S+ 0 0 45 -4,-2.5 4,-3.5 2,-0.2 5,-0.3 0.944 117.1 48.7 -53.2 -55.2 23.7 23.7 0.9 15 19 A L H X S+ 0 0 67 -4,-2.8 4,-1.6 1,-0.3 -1,-0.2 0.912 116.3 43.1 -59.5 -40.4 24.8 26.2 3.5 16 20 A M H X S+ 0 0 0 -4,-3.0 4,-1.9 -5,-0.3 -1,-0.3 0.857 115.1 51.7 -72.1 -30.2 21.2 26.9 4.6 17 21 A G H X S+ 0 0 13 -4,-2.7 4,-2.1 -5,-0.4 -2,-0.2 0.949 109.3 48.7 -66.0 -47.1 20.6 23.2 4.5 18 22 A L H X S+ 0 0 108 -4,-3.5 4,-2.7 1,-0.2 -1,-0.2 0.823 110.5 51.9 -61.8 -36.7 23.5 22.4 6.7 19 23 A G H X S+ 0 0 5 -4,-1.6 4,-3.9 -5,-0.3 5,-0.3 0.903 106.2 52.3 -70.8 -44.5 22.6 25.0 9.2 20 24 A T H X S+ 0 0 25 -4,-1.9 4,-3.3 2,-0.2 -2,-0.2 0.977 114.1 43.9 -54.3 -55.5 19.0 23.8 9.6 21 25 A L H X S+ 0 0 116 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.954 115.2 48.6 -55.1 -51.2 20.3 20.3 10.3 22 26 A Y H X S+ 0 0 97 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.950 115.5 43.6 -55.7 -49.9 23.0 21.6 12.6 23 27 A F H X S+ 0 0 0 -4,-3.9 4,-2.3 1,-0.2 -1,-0.2 0.880 112.6 56.4 -60.5 -36.8 20.5 23.7 14.5 24 28 A L H < S+ 0 0 94 -4,-3.3 4,-0.3 -5,-0.3 -2,-0.2 0.905 111.2 39.9 -62.2 -45.1 18.1 20.7 14.4 25 29 A V H >< S+ 0 0 83 -4,-2.9 3,-1.2 -5,-0.2 -2,-0.2 0.903 114.1 52.8 -75.4 -37.9 20.5 18.4 16.1 26 30 A K H 3< S+ 0 0 60 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.923 100.0 64.2 -60.8 -41.8 21.8 20.9 18.6 27 31 A G T 3< S+ 0 0 27 -4,-2.3 2,-0.9 -5,-0.2 -1,-0.3 0.644 75.0 105.5 -58.5 -16.3 18.2 21.7 19.6 28 32 A M < 0 0 146 -3,-1.2 -1,-0.2 1,-0.5 -4,-0.0 -0.730 360.0 360.0-102.7 86.2 17.9 18.1 20.9 29 33 A G 0 0 86 -2,-0.9 -1,-0.5 0, 0.0 -4,-0.0 0.535 360.0 360.0-110.4 360.0 18.1 19.4 23.5 30 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 31 38 A D > 0 0 101 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -52.3 12.8 29.9 26.5 32 39 A A H > + 0 0 12 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.922 360.0 51.3 -57.1 -49.9 15.7 28.0 24.9 33 40 A K H > S+ 0 0 185 2,-0.2 4,-3.8 1,-0.2 -1,-0.2 0.942 110.2 50.4 -47.8 -56.0 13.2 25.7 23.1 34 41 A K H > S+ 0 0 112 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.936 111.4 47.4 -48.1 -54.4 11.5 28.9 21.9 35 42 A F H X S+ 0 0 1 -4,-3.0 4,-1.9 176,-0.2 -1,-0.2 0.845 114.4 46.9 -62.2 -33.6 14.8 30.2 20.7 36 43 A Y H X S+ 0 0 25 -4,-2.9 4,-2.3 2,-0.2 5,-0.3 0.930 110.4 53.1 -72.5 -43.8 15.7 26.9 19.0 37 44 A A H X S+ 0 0 63 -4,-3.8 4,-1.8 -5,-0.2 3,-0.2 0.970 115.9 38.0 -52.6 -56.9 12.2 26.7 17.4 38 45 A I H X S+ 0 0 19 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.931 116.5 51.6 -63.9 -41.2 12.4 30.1 15.8 39 46 A T H < S+ 0 0 3 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.753 110.3 47.4 -73.6 -24.9 16.1 29.9 14.9 40 47 A T H X S+ 0 0 17 -4,-2.3 4,-1.7 -3,-0.2 -1,-0.2 0.883 105.4 58.6 -82.3 -36.8 15.9 26.6 13.1 41 48 A L H X S+ 0 0 88 -4,-1.8 4,-3.2 -5,-0.3 5,-0.3 0.851 96.7 66.7 -55.2 -34.8 12.9 27.6 11.1 42 49 A V H X S+ 0 0 2 -4,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.954 108.4 31.0 -63.5 -55.8 14.8 30.5 9.6 43 50 A P H > S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 -1,-0.2 0.832 116.4 62.6 -71.1 -24.2 17.5 28.7 7.5 44 51 A A H X S+ 0 0 24 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.960 109.9 38.5 -62.6 -47.5 14.9 25.9 7.0 45 52 A I H X S+ 0 0 32 -4,-3.2 4,-1.9 2,-0.2 3,-0.4 0.937 116.1 51.6 -63.4 -47.4 12.7 28.3 5.2 46 53 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.3 5,-0.3 0.902 105.1 59.6 -58.0 -36.5 15.6 30.0 3.5 47 54 A F H X S+ 0 0 74 -4,-3.2 4,-2.3 -31,-0.2 -1,-0.2 0.912 105.4 46.2 -58.4 -42.7 16.7 26.5 2.4 48 55 A T H X S+ 0 0 66 -4,-1.4 4,-2.4 -3,-0.4 -1,-0.2 0.886 114.2 47.6 -71.7 -33.9 13.5 25.9 0.5 49 56 A M H X S+ 0 0 39 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.878 111.0 50.5 -75.0 -37.0 13.5 29.2 -1.3 50 57 A Y H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.957 112.0 48.2 -62.5 -46.6 17.2 28.9 -2.2 51 58 A L H X S+ 0 0 61 -4,-2.3 4,-2.4 -5,-0.3 6,-0.3 0.934 110.7 52.1 -56.7 -43.6 16.4 25.5 -3.6 52 59 A S H X>S+ 0 0 15 -4,-2.4 6,-2.2 1,-0.2 5,-1.2 0.867 110.6 47.9 -60.8 -35.4 13.4 27.1 -5.4 53 60 A M H ><5S+ 0 0 0 -4,-2.3 3,-1.1 4,-0.2 -2,-0.2 0.971 111.6 49.3 -70.8 -46.3 15.6 29.7 -6.9 54 61 A L H 3<5S+ 0 0 29 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.878 111.1 48.3 -55.5 -45.8 18.3 27.3 -8.1 55 62 A L H 3<5S- 0 0 127 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.578 118.7-114.3 -74.1 -10.3 15.8 24.9 -9.8 56 63 A G T X<5S+ 0 0 23 -3,-1.1 3,-0.9 -4,-0.6 -3,-0.2 0.403 87.6 112.1 94.5 1.1 14.3 28.0 -11.4 57 64 A Y T 3 +A 59 0A 3 -2,-0.5 3,-0.7 -11,-0.2 -11,-0.3 -0.742 25.9 173.4 -80.6 97.1 14.3 36.1 -8.3 71 80 A W T >> + 0 0 80 -2,-1.2 3,-1.8 -13,-0.7 4,-0.9 0.762 60.1 80.4 -79.8 -23.0 11.0 36.7 -6.5 72 81 A A H 3> S+ 0 0 0 -14,-1.7 4,-1.7 1,-0.3 -1,-0.2 0.680 79.2 67.1 -62.0 -19.9 11.3 33.7 -4.1 73 82 A R H <> S+ 0 0 2 -3,-0.7 4,-3.5 -15,-0.3 -1,-0.3 0.843 96.4 55.9 -71.9 -25.5 13.6 35.6 -1.7 74 83 A Y H <> S+ 0 0 8 -3,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.889 105.5 51.3 -68.4 -37.6 10.7 37.9 -0.8 75 84 A A H X S+ 0 0 29 -4,-0.9 4,-0.8 2,-0.2 -1,-0.2 0.881 114.2 45.8 -61.5 -40.0 8.7 34.8 0.1 76 85 A D H >X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 3,-1.3 0.985 115.1 44.3 -58.4 -64.9 11.7 33.8 2.2 77 86 A W H 3X S+ 0 0 16 -4,-3.5 4,-1.2 1,-0.3 -2,-0.2 0.747 101.7 68.9 -59.7 -29.5 12.2 37.3 3.8 78 87 A L H 3< S+ 0 0 80 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.905 117.9 21.3 -60.3 -36.5 8.5 37.7 4.4 79 88 A F H S+ 0 0 26 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.865 111.0 53.9 -63.8 -29.1 10.1 38.7 11.3 83 92 A L H X S+ 0 0 32 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.856 107.3 50.7 -70.5 -32.7 11.3 35.5 13.0 84 93 A L H X S+ 0 0 6 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.910 109.0 50.5 -68.1 -40.5 14.7 37.1 13.4 85 94 A L H X S+ 0 0 5 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.876 106.6 56.6 -62.7 -37.6 13.1 40.1 15.0 86 95 A L H X S+ 0 0 57 -4,-1.8 4,-3.5 2,-0.2 -1,-0.2 0.852 101.3 55.7 -63.2 -40.2 11.2 37.8 17.3 87 96 A D H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.960 112.2 43.1 -53.3 -56.7 14.5 36.2 18.6 88 97 A L H X S+ 0 0 2 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.929 114.9 49.6 -52.9 -52.4 15.7 39.7 19.6 89 98 A A H ><>S+ 0 0 7 -4,-2.9 5,-2.7 2,-0.2 3,-0.6 0.919 112.3 48.3 -53.2 -52.5 12.3 40.6 21.0 90 99 A L H ><5S+ 0 0 31 -4,-3.5 3,-2.4 1,-0.2 -2,-0.2 0.948 105.1 60.0 -45.5 -62.5 12.3 37.3 23.0 91 100 A L H 3<5S+ 0 0 13 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.731 117.3 29.9 -42.7 -37.1 15.8 38.0 24.2 92 101 A V T <<5S- 0 0 64 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.230 108.7-113.4-119.6 18.7 14.8 41.2 25.9 93 102 A D T < 5 - 0 0 142 -3,-2.4 -3,-0.2 -4,-0.3 -2,-0.1 0.886 42.9-161.9 62.1 37.2 11.2 40.4 26.8 94 103 A A < - 0 0 27 -5,-2.7 -1,-0.1 -6,-0.1 -5,-0.0 -0.169 20.1-109.8 -51.1 142.6 9.9 43.0 24.4 95 104 A D > - 0 0 100 1,-0.1 4,-1.7 4,-0.0 5,-0.1 -0.213 26.8-109.6 -67.5 171.5 6.3 44.1 25.0 96 105 A Q H > S+ 0 0 157 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.777 116.5 61.3 -73.5 -26.2 3.6 42.9 22.6 97 106 A G H > S+ 0 0 49 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.988 108.6 40.2 -59.8 -57.7 3.2 46.5 21.4 98 107 A T H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.848 113.2 53.7 -61.6 -40.2 6.8 46.8 20.2 99 108 A I H X S+ 0 0 43 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.963 111.8 46.7 -61.0 -45.7 6.8 43.3 18.7 100 109 A L H X S+ 0 0 124 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.936 111.9 50.0 -57.1 -51.5 3.7 44.2 16.7 101 110 A A H X S+ 0 0 34 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.936 114.2 45.3 -52.6 -50.1 5.2 47.5 15.6 102 111 A L H X S+ 0 0 8 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.917 114.1 46.6 -62.0 -48.4 8.4 45.7 14.5 103 112 A V H X S+ 0 0 55 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.881 112.7 51.5 -67.7 -38.4 6.7 42.8 12.7 104 113 A G H X S+ 0 0 38 -4,-2.9 4,-2.5 -5,-0.3 -2,-0.2 0.953 111.6 44.9 -62.0 -50.8 4.3 45.2 11.0 105 114 A A H X S+ 0 0 10 -4,-2.7 4,-3.5 -5,-0.2 -2,-0.2 0.876 112.5 54.6 -61.4 -32.2 7.1 47.5 9.7 106 115 A D H X S+ 0 0 1 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.972 107.2 48.6 -64.4 -50.7 9.0 44.3 8.7 107 116 A G H X S+ 0 0 33 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.910 114.0 47.4 -52.2 -44.0 6.0 43.2 6.7 108 117 A I H X S+ 0 0 94 -4,-2.5 4,-2.5 2,-0.2 5,-0.4 0.947 108.7 55.2 -65.4 -44.7 5.9 46.6 5.1 109 118 A M H X S+ 0 0 15 -4,-3.5 4,-1.6 -5,-0.2 -2,-0.2 0.946 117.8 33.7 -51.2 -51.2 9.6 46.5 4.4 110 119 A I H X S+ 0 0 12 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.951 115.5 54.1 -77.5 -44.8 9.4 43.3 2.5 111 120 A G H X S+ 0 0 31 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.905 113.1 44.4 -53.1 -43.9 6.0 43.7 0.9 112 121 A T H X S+ 0 0 19 -4,-2.5 4,-3.2 -5,-0.3 5,-0.2 0.888 110.5 54.8 -72.1 -34.1 7.1 47.0 -0.6 113 122 A G H X S+ 0 0 10 -4,-1.6 4,-3.0 -5,-0.4 -2,-0.2 0.936 108.5 49.5 -61.4 -40.3 10.4 45.6 -1.7 114 123 A L H X S+ 0 0 59 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.977 110.6 48.9 -61.4 -50.0 8.6 42.9 -3.5 115 124 A V H X S+ 0 0 60 -4,-2.3 4,-1.0 1,-0.3 -2,-0.2 0.934 112.4 48.4 -55.3 -47.2 6.4 45.5 -5.2 116 125 A G H >< S+ 0 0 0 -4,-3.2 3,-0.9 1,-0.2 -1,-0.3 0.932 109.6 54.9 -55.0 -42.7 9.4 47.5 -6.2 117 126 A A H 3< S+ 0 0 0 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.878 115.4 36.8 -60.0 -37.6 11.0 44.2 -7.4 118 127 A L H 3< S+ 0 0 71 -4,-2.2 -1,-0.2 -3,-0.2 -2,-0.2 0.383 87.3 121.1 -98.4 1.7 8.0 43.5 -9.7 119 128 A T << - 0 0 24 -4,-1.0 6,-0.1 -3,-0.9 -3,-0.0 -0.380 49.6-153.9 -74.0 146.1 7.2 47.0 -10.9 120 129 A K S S+ 0 0 141 1,-0.1 2,-0.7 -56,-0.1 -1,-0.1 0.489 75.8 78.8-104.2 -3.2 7.4 47.8 -14.6 121 130 A V S >> S- 0 0 70 1,-0.2 4,-1.2 -57,-0.1 3,-0.7 -0.931 74.2-148.3-102.8 108.5 8.1 51.5 -14.5 122 131 A Y H >> S+ 0 0 106 -2,-0.7 3,-1.0 1,-0.3 4,-0.8 0.852 93.5 48.5 -38.1 -59.8 11.8 51.8 -13.8 123 132 A S H >> S+ 0 0 67 1,-0.3 4,-1.1 2,-0.2 3,-0.6 0.833 104.9 58.3 -57.0 -40.1 11.6 55.0 -11.8 124 133 A Y H <> S+ 0 0 131 -3,-0.7 4,-2.2 1,-0.2 -1,-0.3 0.812 93.7 70.1 -62.2 -30.5 8.7 53.8 -9.6 125 134 A R H X S+ 0 0 123 -4,-1.5 4,-2.9 -5,-0.2 3,-0.6 0.923 107.8 48.3 -65.3 -44.1 15.4 52.7 15.2 142 151 A V H 3X S+ 0 0 12 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.942 105.5 58.9 -60.3 -43.9 13.2 50.5 17.4 143 152 A L H 3< S+ 0 0 17 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.818 117.2 33.9 -54.8 -29.1 16.0 48.1 17.9 144 153 A F H << S+ 0 0 81 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.824 130.5 23.1 -97.7 -34.8 18.0 51.0 19.4 145 154 A F H < 0 0 156 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.532 360.0 360.0-119.5 -5.1 15.6 53.3 21.2 146 155 A G < 0 0 67 -4,-2.1 -4,-0.2 -5,-0.4 -3,-0.1 0.366 360.0 360.0 106.7 360.0 12.5 51.3 22.2 147 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 148 166 A E > 0 0 148 0, 0.0 4,-1.7 0, 0.0 62,-0.2 0.000 360.0 360.0 360.0 -74.4 24.7 38.0 29.8 149 167 A V H > + 0 0 45 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.939 360.0 51.0 -76.6 -47.9 21.5 38.7 27.8 150 168 A A H > S+ 0 0 66 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.667 111.5 52.9 -63.6 -16.4 22.1 42.4 27.3 151 169 A S H > S+ 0 0 74 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.906 110.9 41.7 -83.1 -50.7 25.5 41.4 26.0 152 170 A T H X S+ 0 0 15 -4,-1.7 4,-2.6 1,-0.2 3,-0.5 0.961 112.5 56.7 -59.1 -50.7 24.4 38.9 23.4 153 171 A F H X S+ 0 0 32 -4,-2.7 4,-3.2 1,-0.3 5,-0.2 0.872 104.3 51.7 -48.7 -45.6 21.6 41.2 22.4 154 172 A K H X S+ 0 0 109 -4,-0.8 4,-2.7 -5,-0.2 -1,-0.3 0.904 110.8 50.4 -62.1 -37.9 24.0 44.0 21.6 155 173 A V H X S+ 0 0 56 -4,-1.6 4,-3.1 -3,-0.5 -2,-0.2 0.986 114.0 40.9 -60.2 -61.9 26.0 41.6 19.5 156 174 A L H X S+ 0 0 0 -4,-2.6 4,-3.8 1,-0.2 5,-0.2 0.919 114.7 54.0 -56.9 -43.3 23.0 40.4 17.4 157 175 A R H X S+ 0 0 41 -4,-3.2 4,-2.7 -5,-0.3 -1,-0.2 0.937 110.3 46.0 -56.9 -45.7 21.7 43.9 17.3 158 176 A N H X S+ 0 0 82 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.964 114.4 49.1 -60.3 -46.9 25.0 45.1 15.9 159 177 A V H X S+ 0 0 39 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.904 111.1 49.3 -55.6 -46.7 25.0 42.2 13.5 160 178 A T H X S+ 0 0 3 -4,-3.8 4,-4.1 -5,-0.2 5,-0.4 0.966 111.8 48.8 -59.3 -49.8 21.5 42.9 12.4 161 179 A V H X S+ 0 0 33 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.932 115.1 43.0 -57.3 -50.3 22.3 46.5 11.8 162 180 A V H < S+ 0 0 103 -4,-2.9 4,-0.5 -5,-0.2 -1,-0.2 0.914 122.3 39.5 -65.5 -40.0 25.4 45.9 9.8 163 181 A L H >X S+ 0 0 29 -4,-2.9 3,-1.0 -5,-0.3 4,-0.7 0.936 115.5 47.3 -80.1 -42.1 23.8 43.1 7.8 164 182 A W H >< S+ 0 0 16 -4,-4.1 3,-0.6 -5,-0.3 -3,-0.2 0.840 106.2 59.8 -68.2 -30.1 20.3 44.4 7.2 165 183 A S T 3X S+ 0 0 45 -4,-1.6 4,-0.6 -5,-0.4 -1,-0.2 0.698 98.0 61.4 -69.7 -18.2 21.6 47.8 6.1 166 184 A A H <> S+ 0 0 27 -3,-1.0 4,-2.4 -4,-0.5 -1,-0.2 0.791 89.5 69.1 -77.3 -31.0 23.5 46.1 3.2 167 185 A Y H S+ 0 0 20 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.912 112.3 51.7 -56.1 -36.7 19.0 48.0 0.2 169 187 A V H X S+ 0 0 78 -4,-0.6 4,-2.7 2,-0.2 5,-0.3 0.967 111.0 45.1 -65.2 -50.0 22.4 48.9 -1.1 170 188 A V H X S+ 0 0 11 -4,-2.4 4,-2.0 1,-0.2 6,-0.3 0.898 115.9 47.1 -59.4 -42.5 22.9 45.6 -3.0 171 189 A W H < S+ 0 0 16 -4,-2.8 6,-0.8 -5,-0.2 8,-0.3 0.938 112.0 52.4 -64.3 -43.3 19.3 45.9 -4.4 172 190 A L H < S+ 0 0 50 -4,-2.6 6,-3.0 -5,-0.3 7,-0.3 0.944 122.2 27.2 -57.6 -52.9 19.9 49.5 -5.3 173 191 A I H < S+ 0 0 45 -4,-2.7 8,-2.7 4,-0.2 7,-1.6 0.675 112.3 87.3 -86.5 -15.5 23.1 49.0 -7.3 174 192 A G S ><>S- 0 0 0 -4,-2.0 5,-2.2 -5,-0.3 3,-1.6 -0.036 101.9 -82.3 -78.4-179.8 22.2 45.4 -8.3 175 193 A S T 3 5S+ 0 0 25 6,-0.3 8,-0.1 1,-0.3 -4,-0.1 0.656 127.8 60.5 -58.7 -16.2 20.3 43.9 -11.2 176 194 A E T 3 5S+ 0 0 6 -6,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.812 119.2 19.6 -80.0 -28.3 17.1 44.6 -9.2 177 195 A G T < 5S- 0 0 3 -3,-1.6 -4,-0.2 -6,-0.8 -5,-0.2 0.521 134.5 -14.8-106.6-115.3 17.8 48.4 -9.2 178 196 A A T 5S- 0 0 39 -6,-3.0 -5,-0.2 -7,-0.1 -3,-0.2 0.565 80.7-126.8 -76.9 -9.6 20.0 50.6 -11.3 179 197 A G < + 0 0 48 -5,-2.2 -5,-0.2 -8,-0.3 -4,-0.2 0.830 64.1 138.7 69.4 31.3 21.8 47.6 -12.7 180 198 A I S S+ 0 0 121 -7,-1.6 -6,-0.2 -6,-0.3 -7,-0.1 0.886 71.6 40.3 -72.1 -39.4 25.3 48.9 -11.8 181 199 A V S S- 0 0 38 -8,-2.7 -6,-0.3 -11,-0.2 -1,-0.2 -0.919 97.5-110.9-112.5 134.3 26.3 45.4 -10.7 182 200 A P >> - 0 0 81 0, 0.0 4,-2.4 0, 0.0 3,-1.1 -0.164 25.6-108.6 -68.7 158.5 25.3 42.3 -12.6 183 201 A L H 3> S+ 0 0 30 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.876 117.1 61.9 -46.6 -48.1 22.8 39.6 -11.4 184 202 A N H 3> S+ 0 0 50 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.855 110.3 40.0 -49.9 -42.0 25.6 37.1 -10.9 185 203 A I H <> S+ 0 0 61 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.855 113.2 50.8 -82.8 -36.9 27.2 39.4 -8.4 186 204 A D H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.892 107.9 55.7 -71.9 -28.8 24.1 40.6 -6.5 187 205 A T H X S+ 0 0 0 -4,-3.3 4,-2.0 -5,-0.3 -1,-0.2 0.948 108.6 48.5 -62.3 -39.4 23.1 37.0 -6.2 188 206 A L H X S+ 0 0 44 -4,-1.1 4,-2.5 -5,-0.3 5,-0.2 0.939 111.1 49.1 -62.0 -48.9 26.5 36.3 -4.5 189 207 A L H X S+ 0 0 57 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.899 111.1 49.2 -57.4 -44.7 26.1 39.3 -2.1 190 208 A F H X S+ 0 0 1 -4,-2.4 4,-3.7 2,-0.2 5,-0.2 0.911 110.9 50.9 -65.0 -39.1 22.6 38.3 -1.1 191 209 A M H X S+ 0 0 9 -4,-2.0 4,-3.1 -5,-0.3 5,-0.2 0.929 111.8 46.5 -61.3 -46.6 23.7 34.7 -0.4 192 210 A V H X S+ 0 0 75 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.851 116.4 45.0 -66.9 -36.5 26.6 35.9 1.7 193 211 A L H X S+ 0 0 21 -4,-2.5 4,-3.6 -5,-0.2 5,-0.3 0.976 113.9 49.9 -68.0 -51.0 24.4 38.3 3.6 194 212 A D H X>S+ 0 0 0 -4,-3.7 4,-1.6 1,-0.2 5,-0.5 0.908 110.1 49.1 -56.1 -45.5 21.7 35.7 4.0 195 213 A V H X>S+ 0 0 25 -4,-3.1 5,-2.6 -5,-0.2 4,-1.2 0.923 117.4 41.9 -63.3 -36.8 24.0 33.0 5.3 196 214 A S H <>S+ 0 0 45 -4,-1.4 5,-1.9 3,-0.2 -2,-0.2 0.923 113.2 51.4 -74.6 -43.5 25.4 35.4 7.8 197 215 A A H <5S+ 0 0 2 -4,-3.6 -1,-0.2 3,-0.2 -2,-0.2 0.752 128.8 20.5 -65.5 -21.7 22.2 37.0 8.8 198 216 A K H X5S+ 0 0 4 -4,-1.6 4,-2.3 -5,-0.3 -3,-0.2 0.816 136.8 25.9-113.7 -59.2 20.6 33.6 9.4 199 217 A V H X< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 6,-0.4 0.937 120.9 43.0 -60.3 -49.6 22.5 33.3 19.6 206 224 A L H 3< S+ 0 0 4 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.745 110.6 53.9 -77.0 -23.6 22.4 29.5 20.0 207 225 A R T 3< S+ 0 0 168 -4,-3.0 2,-0.3 -5,-0.3 -1,-0.3 0.449 98.2 94.2 -85.0 3.5 25.9 29.1 21.3 208 226 A S S X S- 0 0 23 -3,-1.1 3,-1.0 -4,-0.2 4,-0.0 -0.756 70.1-146.4-103.5 142.0 24.9 31.6 24.0 209 227 A R G > S+ 0 0 152 -2,-0.3 3,-1.6 1,-0.2 -60,-0.1 0.476 88.2 87.9 -78.6 -4.8 23.6 31.0 27.5 210 228 A A G 3 S+ 0 0 6 1,-0.3 -1,-0.2 -62,-0.2 -61,-0.1 0.807 78.0 65.5 -63.7 -26.4 21.5 34.2 27.2 211 229 A I G < S+ 0 0 2 -3,-1.0 -1,-0.3 -6,-0.4 2,-0.2 0.588 91.4 84.6 -71.5 -10.5 18.8 31.9 25.6 212 230 A F < 0 0 92 -3,-1.6 -3,-0.0 -181,-0.1 0, 0.0 -0.619 360.0 360.0-100.2 154.4 18.4 30.1 28.9 213 231 A G 0 0 106 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 -0.305 360.0 360.0 -75.0 360.0 16.3 30.8 32.0