==== 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, MEMBRANE PROTEIN 10-JUN-00 1F50 . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR H.LUECKE,B.SCHOBERT,J.P.CARTAILLER,H.T.RICHTER,A.ROSENGARTH, . 222 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 85.6 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.8 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 . 6 2.7 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 1 1 0 1 1 1 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 0 105 0, 0.0 6,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-153.6 23.0 25.5 -14.8 2 6 A G + 0 0 77 4,-0.1 3,-0.1 3,-0.0 0, 0.0 0.361 360.0 101.6 -79.8 -0.1 23.7 28.2 -17.4 3 7 A R > - 0 0 47 1,-0.2 3,-3.0 2,-0.0 4,-0.4 -0.783 65.9-155.7 -87.7 111.2 22.7 30.7 -14.7 4 8 A P T > S+ 0 0 83 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.836 95.1 60.7 -60.8 -26.3 26.1 32.0 -13.6 5 9 A E T >> S+ 0 0 10 1,-0.2 4,-1.6 2,-0.1 3,-0.8 0.618 80.1 93.2 -71.5 -10.3 24.4 32.9 -10.3 6 10 A W H <> S+ 0 0 103 -3,-3.0 4,-3.4 1,-0.2 5,-0.2 0.865 76.6 58.4 -51.0 -44.0 23.6 29.1 -9.9 7 11 A I H <> S+ 0 0 64 -3,-0.7 4,-3.1 -4,-0.4 -1,-0.2 0.915 107.7 46.2 -58.1 -39.1 26.7 28.4 -7.8 8 12 A W H <> S+ 0 0 65 -3,-0.8 4,-2.1 -4,-0.3 -1,-0.2 0.831 113.4 48.7 -71.2 -34.7 25.7 31.0 -5.2 9 13 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 48,-0.2 0.875 114.1 48.3 -69.1 -35.9 22.2 29.6 -5.2 10 14 A A H X S+ 0 0 23 -4,-3.4 4,-2.8 2,-0.2 5,-0.2 0.910 113.9 44.4 -64.4 -51.9 23.7 26.2 -4.8 11 15 A L H X S+ 0 0 69 -4,-3.1 4,-3.1 -5,-0.2 5,-0.3 0.890 114.5 50.7 -60.6 -40.7 26.1 27.2 -2.1 12 16 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.921 110.2 49.2 -66.9 -39.4 23.2 29.1 -0.4 13 17 A T H X S+ 0 0 11 -4,-2.3 4,-2.7 40,-0.2 5,-0.2 0.974 115.0 44.7 -60.4 -49.8 21.0 26.1 -0.6 14 18 A A H X S+ 0 0 43 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.959 115.1 46.4 -61.9 -44.8 23.7 23.9 0.9 15 19 A L H X S+ 0 0 59 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.2 0.909 113.4 48.7 -72.8 -29.3 24.7 26.2 3.6 16 20 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 34,-0.2 0.897 113.1 48.7 -74.4 -31.9 21.2 26.9 4.6 17 21 A G H X S+ 0 0 11 -4,-2.7 4,-3.5 -5,-0.3 -2,-0.2 0.957 113.1 46.5 -63.6 -48.6 20.4 23.2 4.6 18 22 A L H X S+ 0 0 106 -4,-2.8 4,-3.0 -5,-0.2 5,-0.2 0.873 112.7 49.3 -63.1 -41.4 23.5 22.4 6.7 19 23 A G H X S+ 0 0 5 -4,-2.1 4,-3.1 -5,-0.3 5,-0.3 0.931 111.1 52.3 -68.2 -34.6 22.7 25.2 9.1 20 24 A T H X S+ 0 0 17 -4,-2.4 4,-2.8 26,-0.2 5,-0.3 0.963 113.4 42.0 -62.2 -46.4 19.2 23.8 9.3 21 25 A L H X S+ 0 0 107 -4,-3.5 4,-3.3 1,-0.2 5,-0.3 0.940 113.6 52.9 -69.3 -37.2 20.4 20.4 10.1 22 26 A Y H X S+ 0 0 104 -4,-3.0 4,-3.5 1,-0.2 5,-0.3 0.964 115.0 40.6 -57.1 -50.8 23.0 21.7 12.5 23 27 A F H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.876 114.0 54.4 -69.7 -32.0 20.5 23.8 14.4 24 28 A L H < S+ 0 0 93 -4,-2.8 4,-0.2 -5,-0.3 -1,-0.2 0.964 116.3 36.3 -61.9 -50.0 18.0 21.0 14.2 25 29 A V H >< S+ 0 0 87 -4,-3.3 3,-3.6 -5,-0.3 -2,-0.2 0.986 114.6 56.3 -69.5 -46.3 20.3 18.5 15.7 26 30 A K H 3< S+ 0 0 63 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.839 103.8 56.0 -45.8 -39.8 21.8 21.1 18.1 27 31 A G T >< S+ 0 0 21 -4,-2.3 3,-1.3 -5,-0.3 2,-0.4 0.500 82.9 106.6 -78.6 -1.2 18.3 21.7 19.4 28 32 A M T < S+ 0 0 146 -3,-3.6 3,-0.1 1,-0.3 -3,-0.0 -0.646 79.3 31.9 -74.9 130.1 18.0 18.1 20.2 29 33 A G T 3 S+ 0 0 86 -2,-0.4 2,-0.4 1,-0.3 -1,-0.3 0.595 87.1 129.8 98.0 9.1 18.2 17.8 23.9 30 34 A V < + 0 0 32 -3,-1.3 -1,-0.3 1,-0.1 -3,-0.0 -0.829 18.7 160.0 -97.5 133.7 16.6 21.1 24.7 31 35 A S + 0 0 99 -2,-0.4 -1,-0.1 -3,-0.1 3,-0.0 0.585 40.2 105.7-122.2 -22.9 13.8 21.2 27.2 32 36 A D > - 0 0 42 1,-0.2 4,-2.9 2,-0.1 3,-0.5 -0.483 65.2-143.2 -65.8 113.1 13.6 24.8 28.4 33 37 A P H > S+ 0 0 80 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.839 100.5 51.4 -38.8 -46.7 10.5 26.3 26.7 34 38 A D H > S+ 0 0 69 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.955 112.6 44.2 -64.0 -43.9 12.3 29.6 26.2 35 39 A A H > S+ 0 0 0 -3,-0.5 4,-3.1 1,-0.2 -1,-0.2 0.904 110.1 57.6 -63.2 -40.1 15.3 27.9 24.6 36 40 A K H X S+ 0 0 119 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.829 102.9 54.6 -54.4 -43.1 12.8 25.9 22.6 37 41 A K H X S+ 0 0 95 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.917 112.2 41.8 -57.8 -51.9 11.3 29.2 21.3 38 42 A F H X S+ 0 0 6 -4,-1.9 4,-2.8 183,-0.3 -2,-0.2 0.893 114.9 50.5 -71.2 -34.4 14.6 30.4 20.0 39 43 A Y H X S+ 0 0 19 -4,-3.1 4,-2.0 -5,-0.2 5,-0.4 0.958 112.7 47.4 -61.8 -45.9 15.6 27.0 18.6 40 44 A A H X S+ 0 0 54 -4,-2.9 4,-2.1 2,-0.2 3,-0.3 0.954 118.2 40.7 -57.7 -49.7 12.2 26.8 16.9 41 45 A I H X S+ 0 0 12 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.946 118.1 47.0 -63.8 -45.1 12.5 30.3 15.5 42 46 A T H < S+ 0 0 3 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.690 113.7 45.4 -76.6 -20.4 16.2 30.0 14.7 43 47 A T H X S+ 0 0 16 -4,-2.0 4,-1.6 -3,-0.3 -1,-0.2 0.779 110.0 56.7 -87.4 -35.1 16.0 26.6 12.9 44 48 A L H X S+ 0 0 87 -4,-2.1 4,-3.1 -5,-0.4 5,-0.3 0.882 97.1 64.1 -64.2 -36.4 13.0 27.6 11.0 45 49 A V H X S+ 0 0 1 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.973 110.6 33.1 -58.8 -58.6 14.7 30.6 9.5 46 50 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.788 114.3 62.5 -72.6 -16.9 17.3 28.7 7.5 47 51 A A H X S+ 0 0 27 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.950 109.7 39.7 -65.6 -45.4 14.9 25.9 6.9 48 52 A I H X S+ 0 0 35 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.926 115.7 51.1 -64.7 -45.7 12.7 28.3 5.0 49 53 A A H X S+ 0 0 0 -4,-2.7 4,-3.5 -5,-0.3 5,-0.3 0.893 105.6 57.6 -61.1 -36.3 15.6 29.9 3.4 50 54 A F H X S+ 0 0 75 -4,-2.7 4,-2.7 -34,-0.2 5,-0.3 0.961 109.1 45.1 -54.6 -51.3 16.8 26.4 2.4 51 55 A T H X S+ 0 0 65 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.884 115.7 45.6 -61.8 -36.2 13.5 25.9 0.6 52 56 A M H X S+ 0 0 38 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.902 112.7 50.3 -79.4 -35.5 13.5 29.3 -1.1 53 57 A Y H X S+ 0 0 0 -4,-3.5 4,-3.4 2,-0.2 -40,-0.2 0.906 112.6 47.8 -59.4 -45.0 17.2 28.9 -2.1 54 58 A L H X S+ 0 0 58 -4,-2.7 4,-3.2 -5,-0.3 6,-0.3 0.936 109.1 53.0 -62.9 -39.4 16.4 25.6 -3.6 55 59 A S H X>S+ 0 0 15 -4,-2.0 6,-2.0 -5,-0.3 5,-1.4 0.932 113.1 44.6 -64.1 -33.9 13.4 27.0 -5.3 56 60 A M H <5S+ 0 0 0 -4,-2.2 3,-0.5 4,-0.2 -2,-0.2 0.938 112.3 51.9 -70.8 -42.2 15.7 29.7 -6.8 57 61 A L H <5S+ 0 0 36 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.915 111.9 45.7 -56.6 -46.5 18.3 27.1 -7.6 58 62 A L H <5S- 0 0 123 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.627 116.8-114.7 -78.6 -10.0 15.8 24.9 -9.4 59 63 A G T ><5S+ 0 0 26 -4,-0.7 3,-0.9 -3,-0.5 -3,-0.2 0.418 86.6 113.6 99.7 -2.0 14.4 28.0 -11.2 60 64 A Y T 3 +A 70 0A 11 3,-2.5 3,-0.9 -2,-0.4 59,-0.1 -0.928 64.8 23.9-168.1 154.4 11.5 47.3 -17.2 68 72 A G T 3 S- 0 0 65 1,-0.3 2,-0.1 57,-0.3 3,-0.1 0.759 131.8 -69.8 54.3 24.1 14.0 49.4 -19.1 69 73 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 3,-0.0 3,-0.0 -0.072 112.9 115.0 87.7 -41.0 12.5 47.5 -22.0 70 74 A E E < S-A 67 0A 129 -3,-0.9 -3,-2.5 -4,-0.1 2,-0.9 -0.112 76.2-119.0 -77.9 163.3 14.2 44.4 -20.7 71 75 A Q E -A 66 0A 129 -5,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.875 41.1-161.6 -88.3 94.2 13.2 41.1 -19.4 72 76 A N E -A 65 0A 26 -7,-2.4 -7,-2.6 -2,-0.9 2,-0.2 -0.739 15.7-127.3 -90.7 117.0 14.9 41.5 -15.9 73 77 A P E -A 64 0A 38 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.497 31.5-177.6 -62.0 126.3 15.4 38.3 -14.0 74 78 A I E -A 63 0A 0 -11,-3.5 -11,-3.1 -2,-0.2 2,-1.4 -0.978 24.2-148.2-129.2 116.6 13.9 38.7 -10.6 75 79 A Y > + 0 0 1 -2,-0.4 3,-0.9 -13,-0.3 4,-0.3 -0.716 23.0 175.8 -75.4 93.4 14.2 35.9 -8.0 76 80 A W T >> + 0 0 79 -2,-1.4 3,-1.6 -15,-0.4 4,-1.1 0.730 64.2 79.0 -70.9 -20.7 10.9 36.7 -6.3 77 81 A A H 3> S+ 0 0 0 -16,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.808 80.2 64.9 -65.9 -22.4 11.3 33.7 -4.1 78 82 A R H <> S+ 0 0 0 -3,-0.9 4,-2.8 -17,-0.3 -1,-0.3 0.856 98.5 54.7 -71.0 -20.8 13.7 35.5 -1.8 79 83 A Y H <> S+ 0 0 2 -3,-1.6 4,-2.6 -4,-0.3 -1,-0.2 0.849 105.7 52.1 -73.4 -31.5 10.9 37.9 -0.8 80 84 A A H X S+ 0 0 25 -4,-1.1 4,-0.9 2,-0.2 5,-0.2 0.882 112.0 48.0 -64.3 -37.9 8.8 34.8 0.1 81 85 A D H >X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 3,-1.3 0.987 115.0 43.0 -56.3 -63.9 11.7 33.7 2.2 82 86 A W H 3X S+ 0 0 15 -4,-2.8 4,-2.3 1,-0.3 -2,-0.2 0.793 101.5 68.9 -61.2 -32.6 12.2 37.1 3.8 83 87 A L H 3< S+ 0 0 76 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.857 118.6 22.0 -54.3 -35.6 8.5 37.7 4.4 84 88 A F H S+ 0 0 22 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.905 112.6 53.2 -66.4 -32.9 9.9 38.7 11.2 88 92 A L H X S+ 0 0 34 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.942 108.9 49.0 -62.0 -40.3 11.1 35.5 12.7 89 93 A L H X S+ 0 0 5 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.938 112.5 47.4 -64.3 -44.6 14.6 37.0 13.1 90 94 A L H X S+ 0 0 1 -4,-2.6 4,-3.5 1,-0.2 -1,-0.2 0.884 108.5 55.8 -63.9 -32.2 13.1 40.1 14.6 91 95 A L H X S+ 0 0 47 -4,-2.8 4,-3.1 -5,-0.2 5,-0.3 0.924 103.0 54.5 -65.5 -39.7 11.1 37.8 16.9 92 96 A D H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.937 114.4 42.0 -55.7 -46.9 14.3 36.2 18.0 93 97 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.938 114.6 50.0 -63.9 -49.2 15.5 39.7 18.9 94 98 A A H <>S+ 0 0 1 -4,-3.5 5,-3.5 1,-0.2 -2,-0.2 0.875 112.4 46.1 -58.0 -45.0 12.2 40.8 20.4 95 99 A L H ><5S+ 0 0 44 -4,-3.1 3,-1.5 3,-0.2 -1,-0.2 0.881 104.6 62.6 -67.0 -41.8 11.9 37.7 22.6 96 100 A L H 3<5S+ 0 0 10 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.913 116.3 31.1 -44.2 -53.4 15.6 38.0 23.8 97 101 A V T 3<5S- 0 0 25 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.269 111.6-120.6 -94.3 13.4 14.6 41.4 25.3 98 102 A D T < 5 - 0 0 130 -3,-1.5 -3,-0.2 1,-0.1 -4,-0.1 0.942 40.7-157.1 50.2 56.4 11.1 40.3 26.1 99 103 A A < - 0 0 13 -5,-3.5 -1,-0.1 1,-0.1 53,-0.1 -0.183 20.6 -96.8 -63.3 155.9 9.6 43.1 24.0 100 104 A D > - 0 0 122 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.378 33.3-117.4 -62.5 151.1 6.1 44.5 24.6 101 105 A Q H > S+ 0 0 173 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.882 115.9 55.9 -60.1 -39.3 3.5 42.9 22.3 102 106 A G H > S+ 0 0 55 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.879 108.1 48.2 -57.3 -43.3 2.9 46.3 20.7 103 107 A T H > S+ 0 0 37 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.918 111.2 49.6 -69.5 -41.3 6.5 46.7 19.9 104 108 A I H X S+ 0 0 34 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.926 111.6 48.6 -61.1 -42.1 6.7 43.2 18.4 105 109 A L H X S+ 0 0 122 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.929 110.5 52.2 -63.3 -44.4 3.6 44.0 16.3 106 110 A A H X S+ 0 0 30 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.922 113.8 43.7 -54.1 -46.9 5.2 47.3 15.2 107 111 A L H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.944 116.8 44.2 -64.9 -49.9 8.4 45.4 14.2 108 112 A V H X S+ 0 0 52 -4,-3.1 4,-3.1 2,-0.2 5,-0.2 0.948 117.4 46.3 -63.2 -44.9 6.6 42.6 12.4 109 113 A G H X S+ 0 0 31 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.958 113.7 46.5 -61.2 -50.0 4.2 44.9 10.7 110 114 A A H X S+ 0 0 11 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.893 113.7 52.4 -59.3 -36.0 6.9 47.3 9.7 111 115 A D H X S+ 0 0 1 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.926 106.9 50.1 -65.3 -44.0 8.9 44.3 8.5 112 116 A G H X S+ 0 0 30 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.907 111.9 49.3 -62.8 -35.9 6.0 43.0 6.4 113 117 A I H X S+ 0 0 95 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.916 110.1 51.4 -68.6 -36.8 5.8 46.4 4.9 114 118 A M H X S+ 0 0 16 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.961 118.0 36.9 -62.5 -50.1 9.5 46.4 4.2 115 119 A I H X S+ 0 0 11 -4,-3.1 4,-2.6 2,-0.2 5,-0.3 0.938 117.2 50.8 -70.1 -45.4 9.4 43.1 2.5 116 120 A G H X S+ 0 0 27 -4,-3.0 4,-2.5 -5,-0.3 -2,-0.2 0.927 114.0 44.4 -59.8 -42.3 6.1 43.6 0.8 117 121 A T H X S+ 0 0 16 -4,-2.7 4,-3.4 -5,-0.3 5,-0.2 0.872 111.7 54.0 -69.9 -35.1 7.1 47.0 -0.6 118 122 A G H X S+ 0 0 7 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.910 111.1 46.4 -60.3 -37.4 10.5 45.5 -1.6 119 123 A L H X S+ 0 0 55 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.916 112.3 49.5 -70.8 -42.4 8.6 42.8 -3.5 120 124 A V H X S+ 0 0 62 -4,-2.5 4,-0.7 -5,-0.3 3,-0.2 0.969 113.4 46.4 -60.1 -45.9 6.4 45.3 -5.1 121 125 A G H >< S+ 0 0 0 -4,-3.4 3,-1.0 1,-0.2 -2,-0.2 0.936 110.6 54.3 -60.4 -40.8 9.4 47.4 -6.1 122 126 A A H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.866 116.3 37.2 -61.1 -33.0 11.1 44.2 -7.3 123 127 A L H 3< S+ 0 0 67 -4,-2.1 2,-0.3 -3,-0.2 -1,-0.3 0.329 88.2 119.0-100.7 3.0 8.1 43.4 -9.6 124 128 A T << - 0 0 23 -3,-1.0 6,-0.1 -4,-0.7 -59,-0.0 -0.556 49.1-158.9 -77.7 131.0 7.3 47.0 -10.6 125 129 A K S S+ 0 0 145 -2,-0.3 2,-0.9 1,-0.1 -57,-0.3 0.617 73.0 82.3 -93.6 -11.2 7.5 47.5 -14.3 126 130 A V S >> S- 0 0 71 1,-0.2 4,-1.3 -59,-0.1 3,-0.6 -0.836 73.6-151.4 -89.2 105.6 8.0 51.3 -14.2 127 131 A Y H >> S+ 0 0 90 -2,-0.9 3,-0.9 1,-0.3 4,-0.8 0.862 90.7 50.6 -49.2 -52.2 11.7 51.7 -13.5 128 132 A S H >> S+ 0 0 82 1,-0.2 3,-1.0 2,-0.2 4,-0.7 0.891 107.4 55.4 -52.9 -43.3 11.5 55.0 -11.7 129 133 A Y H <> S+ 0 0 140 -3,-0.6 4,-2.1 1,-0.2 3,-0.3 0.758 91.4 73.2 -63.7 -26.2 8.8 53.7 -9.4 130 134 A R H X S+ 0 0 136 -4,-3.0 4,-3.2 1,-0.2 3,-0.8 0.919 110.3 46.9 -54.1 -51.5 15.2 52.8 15.0 147 151 A V H 3X S+ 0 0 10 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.927 106.9 56.3 -62.7 -39.6 13.1 50.5 17.1 148 152 A L H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.752 120.4 31.6 -63.0 -20.9 15.9 48.0 17.7 149 153 A F H << S+ 0 0 74 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.792 130.6 25.5-107.0 -35.3 18.1 50.8 19.0 150 154 A F H < S+ 0 0 152 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.220 118.9 52.6-119.3 14.2 15.9 53.4 20.8 151 155 A G < 0 0 45 -4,-1.3 -3,-0.1 -5,-0.3 -4,-0.1 0.449 360.0 360.0-127.4 -5.2 12.8 51.3 21.8 152 156 A F 0 0 79 -5,-0.2 -3,-0.1 -4,-0.1 -4,-0.1 0.614 360.0 360.0-109.4 360.0 14.4 48.4 23.6 153 ! 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 0.0 154 162 A S 0 0 177 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 50.5 16.7 45.5 33.5 155 163 A M - 0 0 82 1,-0.1 -58,-0.1 -58,-0.1 -59,-0.0 -0.049 360.0 -86.2 -53.0 153.4 17.4 42.4 31.4 156 164 A R >> - 0 0 86 1,-0.2 4,-1.8 64,-0.1 3,-0.9 -0.363 40.7-115.1 -56.9 143.6 20.0 39.9 32.6 157 165 A P H 3> S+ 0 0 107 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.762 116.8 60.0 -54.6 -26.4 23.4 41.0 31.4 158 166 A E H 3> S+ 0 0 72 2,-0.2 4,-1.4 3,-0.1 5,-0.3 0.870 106.7 46.1 -73.0 -33.3 23.6 37.8 29.4 159 167 A V H <> S+ 0 0 7 -3,-0.9 4,-3.7 2,-0.2 3,-0.4 1.000 113.7 47.6 -64.5 -59.6 20.5 38.9 27.5 160 168 A A H X S+ 0 0 21 -4,-1.8 4,-4.3 1,-0.2 5,-0.2 0.870 112.2 48.9 -37.5 -63.5 21.7 42.4 26.9 161 169 A S H X S+ 0 0 73 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.860 116.3 41.3 -52.8 -44.8 25.2 41.4 25.7 162 170 A T H X S+ 0 0 17 -4,-1.4 4,-2.9 -3,-0.4 5,-0.2 0.930 115.6 51.3 -77.6 -39.3 23.9 38.9 23.3 163 171 A F H X S+ 0 0 3 -4,-3.7 4,-3.8 -5,-0.3 -2,-0.2 0.945 109.4 51.0 -57.1 -47.3 21.1 41.2 22.2 164 172 A K H X S+ 0 0 101 -4,-4.3 4,-1.8 -5,-0.2 -1,-0.2 0.864 112.2 46.7 -66.0 -31.6 23.6 44.0 21.6 165 173 A V H X S+ 0 0 67 -4,-1.7 4,-2.7 -5,-0.2 -1,-0.2 0.935 116.4 43.0 -69.0 -47.7 25.7 41.7 19.5 166 174 A L H X S+ 0 0 0 -4,-2.9 4,-3.5 1,-0.2 -2,-0.2 0.924 111.8 55.4 -66.7 -39.3 22.9 40.4 17.5 167 175 A R H X S+ 0 0 37 -4,-3.8 4,-2.6 -5,-0.2 -1,-0.2 0.878 111.0 44.3 -58.8 -39.9 21.4 43.9 17.2 168 176 A N H X S+ 0 0 80 -4,-1.8 4,-2.3 -5,-0.2 5,-0.3 0.879 113.3 50.7 -71.6 -37.9 24.7 45.1 15.7 169 177 A V H X S+ 0 0 32 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.937 112.3 49.1 -57.8 -45.5 24.9 42.1 13.5 170 178 A T H X>S+ 0 0 1 -4,-3.5 4,-3.1 1,-0.2 5,-0.6 0.956 111.8 46.4 -61.4 -51.0 21.3 42.9 12.4 171 179 A V H X5S+ 0 0 24 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.935 115.8 44.3 -64.0 -42.3 21.9 46.5 11.7 172 180 A V H X5S+ 0 0 102 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.954 120.9 38.9 -67.9 -46.8 25.0 46.0 9.7 173 181 A L H >X5S+ 0 0 28 -4,-2.9 3,-1.1 -5,-0.3 4,-0.9 0.970 117.7 46.5 -71.1 -49.8 23.8 43.1 7.7 174 182 A W H ><5S+ 0 0 11 -4,-3.1 3,-0.8 -5,-0.3 -3,-0.2 0.900 106.8 59.5 -60.1 -36.1 20.2 44.2 7.1 175 183 A S H 3X S+ 0 0 20 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.876 113.6 51.3 -61.2 -27.4 18.8 47.9 0.4 179 187 A V H X S+ 0 0 77 -4,-0.8 4,-3.0 2,-0.2 5,-0.3 0.958 111.1 45.4 -71.7 -42.7 22.2 48.9 -0.9 180 188 A V H X S+ 0 0 10 -4,-3.1 4,-2.4 2,-0.2 7,-0.3 0.950 115.6 47.7 -59.9 -46.3 22.7 45.6 -2.7 181 189 A W H < S+ 0 0 13 -4,-2.8 6,-0.7 -5,-0.2 8,-0.3 0.944 113.2 49.9 -57.8 -45.2 19.1 45.9 -4.1 182 190 A L H < S+ 0 0 54 -4,-2.6 6,-3.3 -5,-0.3 7,-0.3 0.934 120.7 32.1 -64.3 -46.1 19.8 49.4 -5.1 183 191 A I H < S+ 0 0 49 -4,-3.0 8,-2.4 4,-0.2 7,-1.6 0.700 111.7 78.5 -85.7 -16.7 23.0 48.8 -6.9 184 192 A G S ><>S- 0 0 0 -4,-2.4 5,-2.4 -5,-0.3 3,-1.6 -0.014 103.3 -81.1 -85.3-174.2 22.2 45.3 -8.1 185 193 A S T 3 5S+ 0 0 22 6,-0.3 8,-0.1 1,-0.3 -4,-0.1 0.703 125.4 63.3 -62.2 -17.8 20.0 44.0 -11.0 186 194 A E T 3 5S+ 0 0 1 -6,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.810 120.6 11.3 -70.1 -30.7 17.0 44.5 -8.8 187 195 A G T < 5S- 0 0 2 -3,-1.6 -5,-0.2 -6,-0.7 -4,-0.2 0.497 135.5 -7.9-117.4-109.2 17.5 48.3 -8.7 188 196 A A T 5S- 0 0 39 -6,-3.3 -5,-0.2 -7,-0.2 -3,-0.2 0.569 79.6-128.2 -82.5 -14.3 19.9 50.5 -10.8 189 197 A G < + 0 0 49 -5,-2.4 -5,-0.2 -8,-0.3 -4,-0.2 0.766 64.5 134.4 78.5 26.7 21.8 47.6 -12.4 190 198 A I S S+ 0 0 125 -7,-1.6 -6,-0.2 -6,-0.3 -7,-0.1 0.823 71.8 41.0 -75.2 -34.8 25.3 48.8 -11.5 191 199 A V S S- 0 0 32 -8,-2.4 -6,-0.3 -11,-0.2 -2,-0.1 -0.920 97.2-107.4-117.8 136.6 26.3 45.3 -10.4 192 200 A P > - 0 0 75 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.145 27.1-109.2 -64.8 162.4 25.3 42.1 -12.2 193 201 A L H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.857 117.5 56.4 -55.3 -40.2 22.7 39.6 -11.1 194 202 A N H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 111.3 43.3 -67.4 -32.2 25.3 37.0 -10.3 195 203 A I H > S+ 0 0 56 -3,-0.3 4,-3.1 2,-0.2 5,-0.2 0.870 113.1 51.0 -79.0 -34.4 27.1 39.4 -8.0 196 204 A Q H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.919 111.5 49.3 -62.9 -36.8 23.9 40.6 -6.4 197 205 A T H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.940 111.5 49.7 -69.1 -40.6 23.0 37.0 -5.9 198 206 A L H X S+ 0 0 42 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.945 111.7 48.0 -55.9 -50.7 26.4 36.4 -4.4 199 207 A L H X S+ 0 0 58 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.944 112.8 47.1 -60.3 -47.2 26.0 39.4 -2.1 200 208 A F H X S+ 0 0 1 -4,-2.8 4,-3.0 -5,-0.2 -1,-0.2 0.875 110.3 53.4 -63.3 -32.4 22.6 38.4 -0.9 201 209 A M H X S+ 0 0 5 -4,-2.1 4,-3.0 -5,-0.2 5,-0.3 0.934 110.4 46.5 -67.4 -41.5 23.7 34.9 -0.3 202 210 A V H X S+ 0 0 77 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.939 116.9 44.9 -63.7 -44.5 26.7 36.0 1.9 203 211 A L H X S+ 0 0 21 -4,-2.6 4,-3.7 -5,-0.3 -2,-0.2 0.945 114.5 48.8 -61.5 -46.9 24.4 38.4 3.8 204 212 A D H X S+ 0 0 0 -4,-3.0 4,-2.1 -5,-0.2 5,-0.5 0.930 112.6 46.1 -63.9 -46.9 21.6 35.8 4.1 205 213 A V H X>S+ 0 0 23 -4,-3.0 5,-2.9 -5,-0.2 4,-1.4 0.962 118.3 44.2 -61.2 -45.0 23.9 33.0 5.4 206 214 A S H <>S+ 0 0 48 -4,-2.4 5,-2.3 -5,-0.3 -2,-0.2 0.934 116.8 45.5 -64.9 -38.8 25.5 35.5 7.8 207 215 A A H <5S+ 0 0 1 -4,-3.7 -1,-0.2 -5,-0.2 -2,-0.2 0.735 128.1 26.6 -77.8 -19.1 22.1 37.0 8.8 208 216 A K H X5S+ 0 0 4 -4,-2.1 4,-1.3 -3,-0.2 -3,-0.2 0.817 135.1 22.3-105.1 -59.0 20.6 33.5 9.2 209 217 A V H X5S+ 0 0 19 -4,-1.4 4,-2.8 -5,-0.5 5,-0.2 0.909 128.3 45.7 -78.8 -43.5 23.2 30.9 10.0 210 218 A G H >X S+ 0 0 61 -4,-2.6 4,-1.2 -5,-0.2 3,-0.6 0.947 118.7 42.2 -55.7 -47.9 25.7 33.5 17.7 215 223 A L H >< S+ 0 0 0 -4,-2.6 3,-0.7 -5,-0.2 6,-0.3 0.952 113.1 48.8 -67.1 -46.9 22.3 33.2 19.2 216 224 A L H 3< S+ 0 0 3 -4,-3.9 -1,-0.2 1,-0.2 -2,-0.2 0.503 108.9 58.4 -78.1 1.2 22.2 29.4 19.8 217 225 A R H << S+ 0 0 159 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.734 91.6 83.8 -90.5 -36.0 25.6 29.7 21.4 218 226 A S S X< S- 0 0 23 -4,-1.2 3,-0.7 -3,-0.7 4,-0.1 -0.297 74.3-138.0 -70.0 149.3 24.6 32.1 24.1 219 227 A R G > S+ 0 0 170 1,-0.2 3,-1.4 2,-0.1 -1,-0.1 0.458 89.6 95.2 -83.0 1.7 23.0 31.2 27.4 220 228 A A G 3 S+ 0 0 4 1,-0.3 -1,-0.2 -62,-0.2 -64,-0.1 0.810 75.8 59.8 -58.9 -28.3 20.8 34.2 26.7 221 229 A I G < S+ 0 0 1 -3,-0.7 2,-0.4 -6,-0.3 -183,-0.3 0.630 91.4 82.0 -81.5 -10.3 18.2 31.8 25.2 222 230 A F < 0 0 42 -3,-1.4 -3,-0.0 -188,-0.1 0, 0.0 -0.765 360.0 360.0 -93.4 136.9 17.8 29.9 28.4 223 231 A G 0 0 71 -2,-0.4 -1,-0.1 0, 0.0 -191,-0.1 -0.189 360.0 360.0 -70.4 360.0 15.5 31.1 31.2