==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTON TRANSPORT 26-NOV-01 1KGB . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR M.T.FACCIOTTI,S.ROUHANI,F.T.BURKARD,F.M.BETANCOURT,K.H.DOWNI . 222 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 86.0 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 . 6 2.7 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 0.5 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 . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 2 0 1 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 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 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 0 119 0, 0.0 6,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-160.5 23.1 25.3 -15.4 2 6 A G + 0 0 81 4,-0.0 3,-0.1 3,-0.0 0, 0.0 0.170 360.0 91.2 -89.5 9.0 23.3 28.2 -17.9 3 7 A R > - 0 0 48 1,-0.1 3,-2.4 191,-0.0 4,-0.3 -0.942 68.1-149.6-106.0 119.4 22.9 30.9 -15.2 4 8 A P T > S+ 0 0 85 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.874 96.5 61.1 -61.9 -30.0 26.3 32.0 -13.9 5 9 A E T >> S+ 0 0 10 1,-0.2 4,-1.7 2,-0.1 3,-1.1 0.614 76.1 99.2 -68.7 -6.3 24.9 32.8 -10.5 6 10 A W H <> S+ 0 0 108 -3,-2.4 4,-2.6 1,-0.3 5,-0.3 0.863 75.4 58.6 -46.7 -43.3 23.9 29.1 -10.2 7 11 A I H <> S+ 0 0 65 -3,-0.9 4,-2.6 -4,-0.3 -1,-0.3 0.924 105.3 46.8 -57.3 -35.6 26.9 28.4 -8.1 8 12 A W H <> S+ 0 0 70 -3,-1.1 4,-2.1 -4,-0.3 -1,-0.2 0.898 111.2 51.4 -76.9 -31.8 26.0 30.9 -5.4 9 13 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 48,-0.2 0.875 112.5 47.7 -68.4 -37.0 22.4 29.7 -5.3 10 14 A A H X S+ 0 0 24 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.933 113.3 46.6 -65.2 -50.3 23.8 26.1 -4.9 11 15 A L H X S+ 0 0 65 -4,-2.6 4,-2.4 -5,-0.3 5,-0.3 0.946 113.0 50.6 -58.4 -36.0 26.3 27.1 -2.2 12 16 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 5,-0.3 0.951 109.1 50.5 -70.9 -41.2 23.5 29.1 -0.5 13 17 A T H X S+ 0 0 13 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.945 112.6 47.2 -54.9 -52.5 21.2 26.1 -0.6 14 18 A A H X S+ 0 0 44 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.905 112.9 47.6 -57.1 -41.3 23.9 23.9 0.9 15 19 A L H X S+ 0 0 64 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.933 113.6 46.4 -76.8 -29.2 24.8 26.3 3.7 16 20 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 34,-0.2 0.924 112.6 51.9 -73.7 -34.1 21.3 26.9 4.7 17 21 A G H X S+ 0 0 10 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.943 112.6 43.6 -68.1 -47.0 20.5 23.2 4.6 18 22 A L H X S+ 0 0 113 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.897 111.4 54.3 -68.3 -35.7 23.5 22.4 6.8 19 23 A G H X S+ 0 0 7 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.961 109.1 49.9 -59.2 -43.0 22.7 25.2 9.2 20 24 A T H X S+ 0 0 15 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.969 112.8 44.9 -60.3 -48.8 19.2 23.9 9.6 21 25 A L H X S+ 0 0 112 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.945 112.0 53.4 -64.8 -40.9 20.4 20.4 10.3 22 26 A Y H X S+ 0 0 100 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.961 112.8 42.0 -55.0 -48.0 23.1 21.7 12.7 23 27 A F H X S+ 0 0 1 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.2 0.850 111.3 57.1 -71.5 -26.4 20.6 23.7 14.8 24 28 A L H < S+ 0 0 96 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.939 111.9 42.0 -66.6 -48.4 18.0 20.8 14.7 25 29 A V H >< S+ 0 0 90 -4,-2.6 3,-1.6 1,-0.2 4,-0.4 0.934 112.7 53.1 -61.6 -50.6 20.5 18.5 16.2 26 30 A K H 3< S+ 0 0 61 -4,-2.8 3,-0.4 -5,-0.3 -1,-0.2 0.866 107.1 50.7 -57.5 -31.3 21.8 21.0 18.7 27 31 A G T >< S+ 0 0 18 -4,-1.4 3,-2.2 -5,-0.2 -1,-0.3 0.633 84.4 100.7 -88.0 -2.2 18.3 21.8 20.0 28 32 A M T < S+ 0 0 154 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.872 82.3 42.0 -40.4 -65.2 17.8 18.0 20.4 29 33 A G T 3 S+ 0 0 79 -4,-0.4 2,-0.4 -3,-0.4 -1,-0.3 0.176 87.1 122.1 -76.6 19.2 18.4 17.9 24.1 30 34 A V < + 0 0 30 -3,-2.2 -3,-0.0 1,-0.2 -4,-0.0 -0.642 16.8 153.5 -94.3 133.3 16.5 21.1 25.2 31 35 A S + 0 0 95 -2,-0.4 -1,-0.2 5,-0.0 3,-0.0 0.529 40.3 112.1-120.1 -17.1 13.7 21.1 27.6 32 36 A D > - 0 0 41 1,-0.2 4,-2.9 2,-0.1 5,-0.2 -0.470 65.3-142.1 -63.1 118.1 13.9 24.7 29.0 33 37 A P H > S+ 0 0 81 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.875 99.0 48.3 -48.2 -45.3 10.7 26.2 27.6 34 38 A D H >> S+ 0 0 72 2,-0.2 4,-1.5 1,-0.2 3,-0.6 0.950 112.3 47.6 -62.8 -49.3 12.4 29.6 26.9 35 39 A A H 3> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.900 106.3 58.5 -58.5 -41.9 15.3 28.0 25.1 36 40 A K H 3X S+ 0 0 117 -4,-2.9 4,-2.7 1,-0.2 -1,-0.3 0.852 103.0 54.9 -55.6 -34.7 13.0 25.8 23.1 37 41 A K H S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.868 112.9 61.6 -77.0 -16.8 17.4 28.7 7.6 47 51 A A H X S+ 0 0 29 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.964 109.6 42.5 -67.2 -42.7 15.0 25.9 6.9 48 52 A I H X S+ 0 0 39 -4,-2.9 4,-2.0 1,-0.2 5,-0.2 0.938 114.6 49.6 -63.2 -42.9 12.7 28.4 5.1 49 53 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.4 5,-0.3 0.909 104.7 60.1 -63.4 -32.7 15.7 30.0 3.4 50 54 A F H X S+ 0 0 73 -4,-2.3 4,-2.4 -5,-0.2 5,-0.3 0.959 106.4 47.4 -55.2 -47.6 16.9 26.5 2.3 51 55 A T H X S+ 0 0 64 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.928 114.2 44.7 -67.4 -33.3 13.6 26.0 0.5 52 56 A M H X S+ 0 0 40 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.920 111.2 52.7 -80.6 -31.9 13.7 29.4 -1.3 53 57 A Y H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.2 -40,-0.2 0.942 111.3 49.4 -60.4 -41.7 17.4 29.1 -2.2 54 58 A L H X S+ 0 0 59 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 0.947 107.8 53.1 -63.1 -44.8 16.5 25.7 -3.7 55 59 A S H X>S+ 0 0 14 -4,-2.5 6,-1.9 -5,-0.3 5,-0.9 0.934 110.7 45.9 -63.0 -27.7 13.6 27.2 -5.6 56 60 A M H ><5S+ 0 0 1 -4,-1.9 3,-0.8 4,-0.2 -2,-0.2 0.967 110.8 54.8 -74.9 -39.7 15.9 29.9 -7.1 57 61 A L H 3<5S+ 0 0 38 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.880 112.2 42.6 -52.2 -45.8 18.4 27.2 -7.9 58 62 A L H 3<5S- 0 0 129 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.611 117.2-112.7 -85.8 -5.2 15.9 25.1 -9.8 59 63 A G T X<5S+ 0 0 27 -3,-0.8 3,-1.1 -4,-0.7 -3,-0.2 0.299 87.7 111.7 99.6 -9.1 14.4 28.2 -11.5 60 64 A Y T 3 +A 70 0A 15 3,-2.3 3,-1.7 -2,-0.5 59,-0.1 -0.952 56.5 16.3-165.9 165.4 11.6 47.6 -17.6 68 72 A G T 3 S- 0 0 60 -2,-0.3 3,-0.1 1,-0.3 58,-0.1 0.723 131.2 -51.5 34.7 42.6 14.0 50.3 -18.8 69 73 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 0, 0.0 2,-0.1 -0.111 118.5 78.0 104.2 -43.1 14.1 48.6 -22.2 70 74 A E E < S-A 67 0A 140 -3,-1.7 -3,-2.3 -5,-0.1 2,-0.7 -0.394 80.3-106.6-106.9 173.8 15.0 45.0 -21.2 71 75 A Q E -A 66 0A 126 -5,-0.2 -3,-0.0 -2,-0.1 -7,-0.0 -0.934 44.8-156.4-100.4 104.2 13.6 41.7 -19.9 72 76 A N E -A 65 0A 22 -7,-2.9 -7,-2.7 -2,-0.7 2,-0.5 -0.695 11.4-132.8 -92.8 127.3 15.0 41.7 -16.3 73 77 A P E -A 64 0A 34 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.646 28.8-173.8 -82.3 121.6 15.5 38.4 -14.4 74 78 A I E -A 63 0A 0 -11,-3.2 -11,-2.8 -2,-0.5 2,-1.3 -0.985 23.6-144.0-120.5 121.7 14.1 38.9 -10.9 75 79 A Y > + 0 0 1 -2,-0.5 3,-0.7 -13,-0.2 4,-0.3 -0.691 25.7 172.4 -78.4 91.5 14.4 36.4 -8.1 76 80 A W T >> + 0 0 75 -2,-1.3 3,-1.5 -15,-0.4 4,-1.3 0.738 64.2 78.2 -74.4 -21.9 11.0 36.9 -6.4 77 81 A A H 3> S+ 0 0 0 -16,-2.1 4,-2.1 1,-0.3 -1,-0.2 0.859 78.8 70.2 -61.6 -23.1 11.5 34.0 -4.1 78 82 A R H <> S+ 0 0 4 -3,-0.7 4,-2.5 -17,-0.3 -1,-0.3 0.914 97.4 51.5 -56.4 -36.0 13.8 36.0 -1.9 79 83 A Y H <> S+ 0 0 6 -3,-1.5 4,-2.3 -4,-0.3 5,-0.2 0.911 105.1 54.5 -73.7 -36.3 10.8 38.1 -0.8 80 84 A A H X S+ 0 0 31 -4,-1.3 4,-0.8 2,-0.2 5,-0.2 0.903 113.1 46.7 -56.4 -34.5 8.8 34.9 0.1 81 85 A D H >X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 3,-0.9 0.997 114.7 42.0 -60.0 -64.9 11.8 34.0 2.2 82 86 A W H 3X S+ 0 0 17 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.826 100.1 72.5 -59.5 -33.0 12.3 37.3 4.0 83 87 A L H 3< S+ 0 0 76 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.936 117.4 20.5 -55.3 -32.8 8.5 37.9 4.5 84 88 A F H S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.919 111.6 53.9 -64.5 -26.8 10.1 38.8 11.4 88 92 A L H X S+ 0 0 35 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.945 106.7 50.3 -73.3 -36.6 11.4 35.7 13.0 89 93 A L H X S+ 0 0 3 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.935 111.6 49.2 -66.8 -38.7 14.9 37.2 13.4 90 94 A L H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.916 106.9 56.2 -65.6 -29.4 13.3 40.3 15.0 91 95 A L H X S+ 0 0 48 -4,-2.3 4,-3.3 -5,-0.2 5,-0.3 0.935 102.4 54.7 -68.3 -40.8 11.3 38.0 17.3 92 96 A D H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.916 112.9 44.1 -55.4 -44.9 14.5 36.4 18.6 93 97 A L H X S+ 0 0 1 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.936 114.3 49.9 -64.9 -44.7 15.7 39.9 19.4 94 98 A A H X>S+ 0 0 0 -4,-2.9 5,-2.3 -5,-0.2 4,-0.5 0.946 111.2 46.0 -61.5 -47.3 12.4 40.9 20.9 95 99 A L H ><5S+ 0 0 61 -4,-3.3 3,-1.1 -5,-0.2 -1,-0.2 0.937 105.6 62.2 -65.3 -38.5 12.1 37.8 23.2 96 100 A L H 3<5S+ 0 0 10 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.963 112.9 35.2 -45.7 -58.9 15.7 38.2 24.3 97 101 A V H 3<5S- 0 0 23 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.423 112.4-117.2 -81.5 5.9 14.9 41.7 25.8 98 102 A D T <<5 - 0 0 142 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.935 43.5-159.8 60.2 41.5 11.4 40.7 26.9 99 103 A A < - 0 0 19 -5,-2.3 -1,-0.1 -6,-0.2 53,-0.1 -0.239 19.9-104.6 -56.7 142.9 9.8 43.3 24.6 100 104 A D > - 0 0 123 1,-0.1 4,-2.1 4,-0.0 3,-0.3 -0.284 31.3-118.1 -55.4 145.8 6.2 44.6 25.2 101 105 A Q H > S+ 0 0 168 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.797 114.5 60.2 -64.1 -29.2 3.8 43.1 22.7 102 106 A G H > S+ 0 0 58 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.882 106.4 46.1 -69.3 -28.9 3.1 46.5 21.3 103 107 A T H > S+ 0 0 29 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.926 112.0 51.6 -76.1 -35.4 6.7 46.9 20.4 104 108 A I H X S+ 0 0 38 -4,-2.1 4,-2.8 1,-0.2 5,-0.4 0.963 109.3 49.7 -62.2 -42.8 6.7 43.4 18.9 105 109 A L H X S+ 0 0 127 -4,-3.1 4,-2.2 1,-0.2 5,-0.3 0.938 110.6 50.8 -66.4 -34.1 3.6 44.3 16.8 106 110 A A H X S+ 0 0 31 -4,-1.8 4,-2.4 -5,-0.2 5,-0.3 0.926 112.1 47.7 -64.5 -41.2 5.3 47.4 15.6 107 111 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.973 113.9 43.9 -64.3 -52.7 8.4 45.5 14.6 108 112 A V H X S+ 0 0 52 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.934 116.9 47.1 -63.2 -41.0 6.7 42.7 12.7 109 113 A G H X S+ 0 0 34 -4,-2.2 4,-2.2 -5,-0.4 -1,-0.2 0.952 110.5 49.6 -68.5 -36.9 4.4 45.0 10.9 110 114 A A H X S+ 0 0 12 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.899 111.8 52.8 -61.7 -35.0 7.1 47.5 9.9 111 115 A D H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.4 0.947 106.5 51.4 -68.9 -42.0 9.0 44.4 8.7 112 116 A G H X S+ 0 0 29 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.942 109.7 49.4 -56.5 -40.9 6.0 43.3 6.6 113 117 A I H X S+ 0 0 98 -4,-2.2 4,-2.7 -5,-0.2 5,-0.4 0.960 109.8 53.1 -60.6 -45.9 5.8 46.7 5.0 114 118 A M H X S+ 0 0 18 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.951 115.9 37.2 -54.4 -54.2 9.5 46.6 4.3 115 119 A I H X S+ 0 0 10 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.935 117.1 50.7 -70.4 -42.7 9.4 43.2 2.5 116 120 A G H X S+ 0 0 29 -4,-2.5 4,-2.3 -5,-0.4 -2,-0.2 0.957 113.4 44.3 -66.7 -38.0 6.1 43.8 0.8 117 121 A T H X S+ 0 0 18 -4,-2.7 4,-2.8 -5,-0.3 5,-0.3 0.874 111.0 56.3 -69.0 -35.0 7.0 47.2 -0.6 118 122 A G H X S+ 0 0 9 -4,-1.7 4,-2.2 -5,-0.4 -2,-0.2 0.929 108.9 48.1 -55.9 -41.8 10.4 45.6 -1.6 119 123 A L H X S+ 0 0 60 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.946 110.1 49.6 -70.4 -40.9 8.4 43.0 -3.5 120 124 A V H X S+ 0 0 61 -4,-2.3 4,-1.2 -5,-0.2 3,-0.3 0.973 111.6 49.6 -59.0 -47.0 6.2 45.5 -5.3 121 125 A G H >< S+ 0 0 0 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.954 108.1 53.8 -60.0 -36.7 9.3 47.5 -6.2 122 126 A A H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.905 116.0 38.7 -64.4 -33.3 11.0 44.3 -7.6 123 127 A L H 3< S+ 0 0 74 -4,-1.8 -1,-0.2 -3,-0.3 2,-0.2 0.472 86.3 119.7 -96.6 -6.6 8.0 43.6 -9.8 124 128 A T << - 0 0 25 -4,-1.2 6,-0.1 -3,-0.7 -59,-0.0 -0.444 48.9-157.9 -70.4 126.7 7.1 47.2 -10.9 125 129 A K S S+ 0 0 148 -2,-0.2 2,-0.8 1,-0.1 -57,-0.3 0.656 73.1 82.7 -85.6 -18.8 7.4 47.7 -14.7 126 130 A V S >> S- 0 0 72 1,-0.2 4,-1.3 -59,-0.1 3,-0.7 -0.833 74.0-149.3 -92.3 108.7 7.8 51.5 -14.6 127 131 A Y H >> S+ 0 0 84 -2,-0.8 4,-0.7 1,-0.2 3,-0.7 0.868 89.7 49.4 -48.4 -50.1 11.5 52.0 -13.9 128 132 A S H >> S+ 0 0 84 1,-0.2 4,-0.8 2,-0.2 3,-0.7 0.899 107.2 55.7 -58.3 -33.6 11.4 55.3 -12.0 129 133 A Y H X> S+ 0 0 138 -3,-0.7 4,-1.9 1,-0.2 3,-0.8 0.867 89.3 74.9 -75.0 -24.1 8.7 54.0 -9.7 130 134 A R H > - 0 0 91 1,-0.2 4,-1.9 -2,-0.1 3,-0.8 -0.539 38.7-115.5 -67.9 144.4 20.1 40.2 33.2 157 165 A P H 3> S+ 0 0 109 0, 0.0 4,-1.7 0, 0.0 5,-0.3 0.730 114.6 67.5 -54.5 -20.0 23.6 40.8 31.9 158 166 A E H 3> S+ 0 0 91 1,-0.2 4,-1.3 2,-0.2 62,-0.3 0.978 108.8 38.4 -62.2 -47.7 23.4 37.4 30.1 159 167 A V H <> S+ 0 0 11 -3,-0.8 4,-2.9 1,-0.2 5,-0.3 0.897 112.0 55.3 -65.2 -42.5 20.8 38.9 27.9 160 168 A A H X S+ 0 0 17 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.963 107.9 47.4 -66.8 -44.7 22.2 42.4 27.5 161 169 A S H X S+ 0 0 75 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.888 117.4 42.0 -59.1 -40.1 25.6 41.2 26.1 162 170 A T H X S+ 0 0 15 -4,-1.3 4,-3.1 -5,-0.3 5,-0.3 0.952 114.1 52.3 -72.9 -42.9 24.1 38.8 23.7 163 171 A F H X S+ 0 0 4 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.906 108.5 51.1 -54.7 -46.6 21.4 41.2 22.7 164 172 A K H X S+ 0 0 106 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.888 112.2 46.3 -64.1 -34.6 23.9 44.0 22.0 165 173 A V H X S+ 0 0 64 -4,-1.4 4,-2.5 -5,-0.3 5,-0.2 0.980 114.7 44.6 -70.5 -52.6 26.0 41.7 19.8 166 174 A L H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.873 112.2 55.2 -62.2 -31.6 23.1 40.4 17.8 167 175 A R H X S+ 0 0 38 -4,-2.7 4,-2.3 -5,-0.3 5,-0.3 0.913 108.6 47.3 -66.3 -39.2 21.7 43.9 17.6 168 176 A N H X S+ 0 0 90 -4,-1.9 4,-1.9 1,-0.2 5,-0.3 0.910 111.6 50.0 -71.1 -41.6 25.0 45.1 16.0 169 177 A V H X S+ 0 0 34 -4,-2.5 4,-2.0 1,-0.2 5,-0.3 0.899 109.5 54.5 -55.7 -46.3 25.1 42.2 13.6 170 178 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.4 0.941 109.3 43.0 -60.6 -50.2 21.6 43.0 12.6 171 179 A V H X S+ 0 0 29 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.923 114.4 50.1 -65.3 -38.3 22.0 46.7 11.7 172 180 A V H X S+ 0 0 107 -4,-1.9 4,-0.6 -5,-0.3 -1,-0.2 0.988 119.6 34.4 -65.5 -47.8 25.2 46.2 9.8 173 181 A L H >X S+ 0 0 27 -4,-2.0 3,-1.0 -5,-0.3 4,-0.7 0.971 117.2 50.9 -73.2 -45.2 24.0 43.3 7.6 174 182 A W H >< S+ 0 0 12 -4,-2.6 3,-1.1 -5,-0.3 -1,-0.2 0.900 104.8 59.7 -58.9 -35.1 20.4 44.4 7.2 175 183 A S H 3X S+ 0 0 38 -4,-1.6 4,-0.8 -5,-0.4 -1,-0.2 0.754 97.5 60.4 -67.2 -16.7 21.5 47.8 6.1 176 184 A A H S+ 0 0 19 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.849 111.7 50.8 -60.5 -33.9 19.0 48.2 0.4 179 187 A V H X S+ 0 0 78 -4,-0.8 4,-2.1 2,-0.2 5,-0.3 0.964 109.9 46.6 -68.0 -42.4 22.3 49.0 -1.1 180 188 A V H X S+ 0 0 11 -4,-2.5 4,-1.9 1,-0.2 7,-0.2 0.971 113.4 49.9 -61.7 -46.3 22.8 45.8 -3.0 181 189 A W H < S+ 0 0 14 -4,-2.5 6,-0.6 -5,-0.2 5,-0.2 0.961 109.1 52.8 -53.7 -48.8 19.2 46.0 -4.4 182 190 A L H < S+ 0 0 56 -4,-2.0 6,-3.5 -5,-0.2 7,-0.3 0.915 119.2 31.9 -56.6 -41.2 19.8 49.6 -5.5 183 191 A I H < S+ 0 0 44 -4,-2.1 8,-2.7 4,-0.2 7,-1.4 0.615 112.8 78.3 -98.5 -7.7 23.0 48.9 -7.5 184 192 A G S ><>S- 0 0 1 -4,-1.9 5,-2.1 -5,-0.3 3,-1.3 0.122 105.1 -71.2 -88.4-164.3 22.0 45.4 -8.5 185 193 A S T 3 5S+ 0 0 17 1,-0.3 -4,-0.1 3,-0.1 8,-0.1 0.711 127.5 57.0 -73.2 -20.2 19.6 44.1 -11.2 186 194 A E T 3 5S+ 0 0 2 -5,-0.2 -1,-0.3 7,-0.0 -4,-0.1 0.605 122.5 18.0 -75.9 -21.2 16.4 45.2 -9.4 187 195 A G T < 5S- 0 0 2 -3,-1.3 -4,-0.2 -6,-0.6 -5,-0.2 0.375 130.6 -10.2-120.5-113.7 17.7 48.8 -9.4 188 196 A A T 5S- 0 0 44 -6,-3.5 -5,-0.2 -7,-0.2 -3,-0.1 0.728 74.8-130.4 -76.1 -18.8 20.3 50.7 -11.3 189 197 A G < + 0 0 53 -5,-2.1 -5,-0.2 -7,-0.3 -4,-0.1 0.814 65.8 131.5 78.4 24.3 21.9 47.7 -12.9 190 198 A I + 0 0 120 -7,-1.4 -6,-0.2 -6,-0.2 -7,-0.1 0.808 65.6 45.8 -78.6 -43.9 25.4 48.8 -11.9 191 199 A V S S- 0 0 31 -8,-2.7 -1,-0.1 -11,-0.2 -2,-0.1 -0.907 96.1-111.9-105.6 128.8 26.5 45.4 -10.4 192 200 A P > - 0 0 77 0, 0.0 4,-2.3 0, 0.0 3,-0.4 -0.142 25.7-111.2 -62.4 163.3 25.8 42.2 -12.5 193 201 A L H > S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.845 115.4 56.3 -65.7 -32.8 23.2 39.6 -11.2 194 202 A N H > S+ 0 0 53 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.915 110.6 44.3 -69.2 -32.3 25.8 37.0 -10.6 195 203 A I H > S+ 0 0 64 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.882 112.9 52.1 -73.7 -36.9 27.7 39.3 -8.2 196 204 A E H X S+ 0 0 1 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.965 106.9 52.0 -59.2 -46.4 24.5 40.5 -6.6 197 205 A T H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.908 109.6 51.0 -61.6 -36.9 23.5 36.9 -6.0 198 206 A L H X S+ 0 0 47 -4,-1.6 4,-2.5 -5,-0.2 5,-0.3 0.954 110.5 48.9 -65.0 -43.9 26.9 36.3 -4.3 199 207 A L H X S+ 0 0 65 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.952 112.2 47.7 -57.4 -45.2 26.4 39.4 -2.1 200 208 A F H X S+ 0 0 0 -4,-3.2 4,-2.7 -5,-0.2 -1,-0.2 0.892 109.9 53.8 -68.4 -33.4 22.9 38.3 -1.1 201 209 A M H X S+ 0 0 6 -4,-2.2 4,-2.8 -5,-0.2 5,-0.4 0.935 109.7 46.2 -65.5 -45.6 24.2 34.8 -0.3 202 210 A V H X S+ 0 0 73 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.963 115.7 46.1 -62.5 -39.7 26.9 36.1 2.0 203 211 A L H X S+ 0 0 22 -4,-2.4 4,-3.1 -5,-0.3 5,-0.2 0.974 114.3 48.5 -64.5 -45.8 24.5 38.4 3.8 204 212 A D H X S+ 0 0 0 -4,-2.7 4,-1.4 2,-0.2 5,-0.5 0.904 111.5 47.2 -64.6 -49.8 21.9 35.8 4.1 205 213 A V H X>S+ 0 0 28 -4,-2.8 5,-2.2 -5,-0.2 4,-1.3 0.968 117.7 43.9 -56.7 -47.0 24.1 33.0 5.4 206 214 A S H <>S+ 0 0 46 -4,-2.1 5,-1.9 -5,-0.4 -2,-0.2 0.933 113.3 49.2 -63.2 -40.2 25.6 35.5 8.0 207 215 A A H <5S+ 0 0 2 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.709 127.8 24.1 -73.4 -18.6 22.3 37.1 9.0 208 216 A K H X5S+ 0 0 5 -4,-1.4 4,-1.6 -3,-0.5 -3,-0.2 0.816 134.1 26.4-110.7 -61.6 20.7 33.6 9.6 209 217 A V H X5S+ 0 0 17 -4,-1.3 4,-2.4 -5,-0.5 5,-0.2 0.928 127.4 44.1 -76.6 -45.0 23.3 31.0 10.2 210 218 A G H >< S+ 0 0 0 -4,-2.2 3,-1.2 -5,-0.2 6,-0.4 0.952 114.0 46.3 -63.5 -55.6 22.5 33.3 19.7 216 224 A L H 3< S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.545 107.3 56.9 -78.6 -7.1 22.3 29.5 20.3 217 225 A R T 3< S+ 0 0 170 -4,-1.1 -1,-0.3 -5,-0.2 2,-0.2 0.535 93.9 92.9 -95.8 -10.3 25.8 29.2 21.8 218 226 A S S X S- 0 0 23 -3,-1.2 3,-0.7 -4,-0.4 4,-0.1 -0.500 73.2-140.9 -83.0 147.1 24.8 31.9 24.5 219 227 A R G > S+ 0 0 162 1,-0.2 3,-1.9 -2,-0.2 -60,-0.1 0.592 89.6 89.9 -79.1 -8.8 23.3 31.2 27.9 220 228 A A G 3 S+ 0 0 5 -62,-0.3 -1,-0.2 1,-0.3 -61,-0.1 0.824 76.9 63.5 -56.1 -32.6 21.1 34.2 27.3 221 229 A I G < S+ 0 0 1 -3,-0.7 2,-0.3 -6,-0.4 -1,-0.3 0.733 86.7 85.1 -74.1 -13.3 18.5 31.9 25.8 222 230 A F < 0 0 46 -3,-1.9 -3,-0.0 -188,-0.1 0, 0.0 -0.609 360.0 360.0 -89.0 147.4 17.8 29.9 29.0 223 231 A G 0 0 69 -2,-0.3 -1,-0.1 0, 0.0 -191,-0.0 -0.198 360.0 360.0 -65.0 360.0 15.4 31.0 31.6