==== 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 TRANSPORT PROTEIN 15-AUG-06 2I21 . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR J.K.LANYI,B.SCHOBERT . 222 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10375.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 87.4 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 3.2 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 . 6 2.7 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 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 0 103 0, 0.0 5,-0.1 0, 0.0 57,-0.0 0.000 360.0 360.0 360.0 177.6 22.6 25.8 -15.4 2 6 A G + 0 0 79 4,-0.1 4,-0.1 3,-0.1 0, 0.0 0.897 360.0 105.4 -64.0 -37.1 23.6 28.6 -17.8 3 7 A R > - 0 0 48 1,-0.2 3,-2.7 2,-0.1 4,-0.3 -0.192 64.6-151.3 -52.9 114.1 22.9 31.2 -15.1 4 8 A P T > S+ 0 0 83 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.812 95.2 62.2 -58.1 -28.8 26.3 32.4 -13.9 5 9 A E T >> S+ 0 0 8 1,-0.2 4,-1.7 2,-0.1 3,-0.7 0.515 75.5 97.1 -75.7 -0.9 24.8 33.1 -10.5 6 10 A W H <> S+ 0 0 107 -3,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.878 74.9 59.8 -58.4 -36.5 23.9 29.4 -10.1 7 11 A I H <> S+ 0 0 67 -3,-0.8 4,-2.9 -4,-0.3 -1,-0.2 0.888 106.1 45.7 -60.8 -40.6 27.0 28.7 -8.0 8 12 A W H <> S+ 0 0 68 -3,-0.7 4,-2.7 -4,-0.3 -1,-0.2 0.832 112.7 51.1 -73.0 -34.0 26.1 31.1 -5.2 9 13 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.915 113.3 45.7 -65.6 -41.6 22.5 29.8 -5.2 10 14 A A H X S+ 0 0 27 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.948 114.8 47.0 -64.3 -49.1 23.9 26.3 -4.9 11 15 A L H X S+ 0 0 66 -4,-2.9 4,-2.9 -5,-0.2 5,-0.2 0.921 113.1 50.0 -57.2 -46.2 26.3 27.4 -2.2 12 16 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.912 109.6 50.6 -59.1 -42.9 23.5 29.3 -0.4 13 17 A T H X S+ 0 0 13 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.950 112.8 47.3 -60.6 -44.4 21.2 26.2 -0.6 14 18 A A H X S+ 0 0 44 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.922 112.5 47.2 -67.3 -43.5 23.9 24.1 0.9 15 19 A L H X S+ 0 0 64 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.894 113.3 47.4 -68.9 -36.1 24.9 26.4 3.7 16 20 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 34,-0.2 0.895 114.3 48.3 -70.0 -35.7 21.2 27.0 4.8 17 21 A G H X S+ 0 0 11 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.920 112.9 46.4 -67.5 -46.7 20.5 23.3 4.7 18 22 A L H X S+ 0 0 103 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.901 113.0 50.7 -63.8 -39.3 23.6 22.4 6.7 19 23 A G H X S+ 0 0 7 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.929 108.2 52.9 -65.4 -41.2 22.9 25.2 9.2 20 24 A T H X S+ 0 0 16 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.933 111.6 44.6 -59.5 -46.0 19.3 23.9 9.6 21 25 A L H X S+ 0 0 108 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.909 111.9 53.5 -65.5 -39.1 20.5 20.4 10.4 22 26 A Y H X S+ 0 0 94 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.956 113.2 42.0 -58.9 -51.0 23.2 21.7 12.7 23 27 A F H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.875 112.5 55.9 -66.8 -33.4 20.6 23.7 14.7 24 28 A L H < S+ 0 0 96 -4,-2.4 4,-0.2 -5,-0.3 -1,-0.2 0.946 112.5 40.7 -58.2 -52.0 18.1 20.8 14.5 25 29 A V H >< S+ 0 0 97 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.946 113.1 55.4 -65.7 -45.4 20.6 18.4 16.1 26 30 A K H 3< S+ 0 0 61 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.910 103.7 53.5 -55.7 -42.3 21.8 21.1 18.6 27 31 A G T >< S+ 0 0 20 -4,-2.5 3,-1.5 -5,-0.2 -1,-0.3 0.502 79.4 124.0 -79.0 5.3 18.4 21.7 20.0 28 32 A M T < S+ 0 0 144 -3,-1.8 3,-0.1 1,-0.3 -3,-0.0 -0.492 79.7 11.4 -66.5 133.3 17.8 18.0 20.7 29 33 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.181 84.0 147.5 83.9 -10.6 16.9 17.5 24.3 30 34 A V < + 0 0 33 -3,-1.5 -1,-0.3 1,-0.2 -3,-0.0 -0.341 13.3 167.5 -55.2 130.2 16.4 21.2 25.2 31 35 A S + 0 0 96 -3,-0.1 -1,-0.2 5,-0.0 -2,-0.0 0.623 37.1 106.2-121.7 -24.4 13.7 21.3 27.8 32 36 A D > - 0 0 41 1,-0.2 4,-2.8 2,-0.1 5,-0.2 -0.424 68.3-137.9 -55.9 119.0 13.7 24.9 29.2 33 37 A P H > S+ 0 0 89 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.872 100.5 48.4 -43.6 -49.3 10.6 26.6 27.7 34 38 A D H > S+ 0 0 67 2,-0.2 4,-1.6 1,-0.2 3,-0.4 0.923 112.2 45.9 -62.7 -48.5 12.5 29.8 26.9 35 39 A A H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.894 106.8 61.8 -63.7 -38.1 15.4 28.2 25.2 36 40 A K H X S+ 0 0 121 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.856 101.6 52.7 -49.9 -40.8 12.9 26.1 23.3 37 41 A K H X S+ 0 0 100 -4,-1.3 4,-2.2 -3,-0.4 -1,-0.2 0.932 111.5 44.5 -61.1 -49.4 11.5 29.3 21.8 38 42 A F H X S+ 0 0 11 -4,-1.6 4,-3.3 183,-0.2 5,-0.3 0.908 111.9 51.4 -67.1 -42.4 14.9 30.4 20.6 39 43 A Y H X S+ 0 0 25 -4,-3.1 4,-2.1 2,-0.2 5,-0.3 0.954 110.3 50.3 -59.7 -44.8 16.0 27.1 19.2 40 44 A A H X S+ 0 0 59 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.938 115.0 43.2 -57.3 -47.6 12.7 26.8 17.3 41 45 A I H X S+ 0 0 13 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.913 113.9 47.8 -73.3 -35.8 13.2 30.3 15.8 42 46 A V H < S+ 0 0 4 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.802 117.2 44.5 -79.8 -14.4 16.8 30.0 15.0 43 47 A T H X S+ 0 0 21 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.902 111.4 52.4 -83.1 -45.2 16.2 26.6 13.3 44 48 A L H X S+ 0 0 84 -4,-2.8 4,-2.3 -5,-0.3 5,-0.3 0.877 101.1 61.7 -56.4 -43.8 13.1 27.6 11.4 45 49 A V H X S+ 0 0 2 -4,-1.8 4,-2.2 1,-0.2 3,-0.2 0.956 108.9 38.1 -60.2 -52.5 14.7 30.7 9.8 46 50 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.796 111.5 60.7 -68.4 -24.1 17.4 28.8 7.8 47 51 A A H X S+ 0 0 31 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.928 108.4 44.0 -65.3 -39.7 15.0 26.0 7.1 48 52 A I H X S+ 0 0 33 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.927 113.4 50.5 -65.6 -46.6 12.8 28.6 5.3 49 53 A A H X S+ 0 0 0 -4,-2.2 4,-3.5 -5,-0.3 5,-0.3 0.911 105.4 57.7 -59.4 -42.2 15.8 30.1 3.6 50 54 A F H X S+ 0 0 78 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.930 107.2 47.4 -51.8 -47.6 16.9 26.7 2.4 51 55 A T H X S+ 0 0 66 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.890 114.3 45.7 -69.6 -33.5 13.7 26.1 0.6 52 56 A M H X S+ 0 0 38 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.872 112.0 51.1 -79.0 -34.5 13.7 29.5 -1.1 53 57 A Y H X S+ 0 0 0 -4,-3.5 4,-3.0 -5,-0.2 -2,-0.2 0.941 110.4 50.3 -62.8 -43.1 17.4 29.2 -2.1 54 58 A L H X S+ 0 0 58 -4,-2.7 4,-2.5 -5,-0.3 6,-0.2 0.929 108.0 52.7 -61.4 -38.6 16.5 25.8 -3.6 55 59 A S H X>S+ 0 0 16 -4,-1.9 6,-2.0 2,-0.2 5,-0.9 0.867 111.0 47.3 -66.5 -29.7 13.6 27.3 -5.5 56 60 A M H ><5S+ 0 0 0 -4,-1.8 3,-1.0 4,-0.2 -2,-0.2 0.950 111.3 50.7 -73.1 -45.8 15.9 30.0 -6.9 57 61 A L H 3<5S+ 0 0 35 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.900 112.2 46.3 -55.4 -43.9 18.5 27.4 -7.8 58 62 A L H 3<5S- 0 0 126 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.552 117.4-113.8 -78.7 -8.6 15.9 25.2 -9.6 59 63 A G T X<5S+ 0 0 27 -3,-1.0 3,-1.1 -4,-0.6 -3,-0.2 0.274 86.7 113.3 97.2 -8.3 14.6 28.3 -11.4 60 64 A Y T 3 +A 70 0A 14 3,-1.9 3,-1.4 -2,-0.4 59,-0.1 -0.881 62.4 27.7-171.8 152.9 11.6 47.8 -17.5 68 72 A G T 3 S- 0 0 56 57,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.833 129.6 -71.3 59.0 30.9 14.1 50.0 -19.2 69 73 A G T 3 S+ 0 0 88 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.829 114.6 106.4 53.4 32.4 12.9 48.2 -22.3 70 74 A E E < S-A 67 0A 132 -3,-1.4 -3,-1.9 -5,-0.1 2,-0.8 -0.876 77.3-114.5-130.9 166.7 14.7 45.1 -21.1 71 75 A Q E -A 66 0A 132 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.865 37.6-161.9-105.8 100.2 13.7 41.7 -19.6 72 76 A N E -A 65 0A 23 -7,-2.4 -7,-3.7 -2,-0.8 2,-0.5 -0.733 16.3-130.2 -91.2 120.3 15.1 41.8 -16.1 73 77 A P E -A 64 0A 40 0, 0.0 2,-0.6 0, 0.0 -9,-0.2 -0.558 29.5-171.8 -69.6 114.3 15.6 38.5 -14.2 74 78 A I E -A 63 0A 0 -11,-4.2 -11,-2.1 -2,-0.5 2,-1.3 -0.949 20.8-146.5-119.1 114.2 14.0 39.1 -10.8 75 79 A Y E > +A 62 0A 0 -2,-0.6 3,-0.8 -13,-0.2 4,-0.2 -0.669 24.4 172.5 -73.4 91.3 14.4 36.5 -8.0 76 80 A W T >> + 0 0 80 -2,-1.3 3,-1.4 -15,-0.6 4,-1.2 0.722 64.1 79.9 -75.5 -23.4 11.0 37.0 -6.3 77 81 A A H 3> S+ 0 0 0 -16,-1.8 4,-1.6 1,-0.3 -1,-0.2 0.747 79.4 69.8 -59.8 -23.5 11.6 34.0 -4.0 78 82 A R H <> S+ 0 0 3 -3,-0.8 4,-2.8 -17,-0.3 -1,-0.3 0.871 98.5 48.6 -60.1 -37.6 13.8 36.2 -1.8 79 83 A Y H <> S+ 0 0 7 -3,-1.4 4,-2.6 -4,-0.2 -1,-0.2 0.843 106.6 55.9 -72.6 -34.6 10.8 38.2 -0.6 80 84 A A H X S+ 0 0 28 -4,-1.2 4,-0.7 2,-0.2 -1,-0.2 0.882 113.4 42.6 -60.7 -38.2 8.8 35.1 0.1 81 85 A D H >X S+ 0 0 1 -4,-1.6 4,-3.0 2,-0.2 3,-1.3 0.981 116.4 45.4 -67.8 -58.8 11.7 34.1 2.4 82 86 A W H 3X S+ 0 0 18 -4,-2.8 4,-1.9 1,-0.3 -2,-0.2 0.790 100.8 68.7 -60.4 -33.0 12.2 37.5 4.0 83 87 A L H 3< S+ 0 0 75 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.887 117.4 23.5 -53.7 -37.8 8.5 37.9 4.5 84 88 A F H S+ 0 0 20 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.908 112.4 53.0 -65.7 -32.4 10.0 39.1 11.5 88 92 A L H X S+ 0 0 35 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.921 107.9 49.9 -64.7 -40.6 11.2 35.9 13.1 89 93 A L H X S+ 0 0 5 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.920 111.0 49.3 -62.9 -39.7 14.7 37.3 13.4 90 94 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.892 106.1 57.3 -65.0 -38.1 13.2 40.4 15.1 91 95 A L H X S+ 0 0 47 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.903 100.8 57.7 -56.3 -40.3 11.2 38.1 17.3 92 96 A D H X S+ 0 0 1 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.943 110.6 43.0 -54.2 -48.4 14.5 36.6 18.5 93 97 A L H X S+ 0 0 1 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.912 114.3 49.6 -65.0 -43.3 15.6 40.1 19.6 94 98 A A H <>S+ 0 0 1 -4,-2.6 5,-3.4 2,-0.2 -1,-0.2 0.860 109.0 50.5 -66.2 -39.7 12.3 41.0 21.2 95 99 A L H ><5S+ 0 0 49 -4,-2.7 3,-1.1 3,-0.2 -1,-0.2 0.910 107.8 57.3 -63.3 -43.8 12.0 37.8 23.2 96 100 A L H 3<5S+ 0 0 13 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.918 115.9 32.1 -46.0 -59.0 15.6 38.5 24.5 97 101 A V T 3<5S- 0 0 29 -4,-1.8 -1,-0.3 62,-0.1 -2,-0.2 0.280 111.1-120.9 -90.9 11.3 14.8 41.9 25.9 98 102 A D T < 5 - 0 0 134 -3,-1.1 -3,-0.2 -4,-0.2 -4,-0.1 0.898 40.0-156.5 47.4 52.8 11.2 40.7 26.7 99 103 A A < - 0 0 14 -5,-3.4 -1,-0.1 -6,-0.1 53,-0.1 -0.233 18.3-100.9 -59.3 145.5 9.7 43.4 24.6 100 104 A D > - 0 0 126 1,-0.1 4,-1.7 4,-0.0 3,-0.2 -0.253 30.5-116.3 -56.0 149.7 6.2 44.6 25.2 101 105 A Q H > S+ 0 0 175 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.918 113.8 59.3 -59.6 -45.7 3.6 43.2 22.8 102 106 A G H > S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.876 107.4 46.3 -48.0 -45.6 2.8 46.7 21.4 103 107 A T H > S+ 0 0 42 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.889 109.8 52.7 -68.8 -40.6 6.4 47.1 20.3 104 108 A I H X S+ 0 0 42 -4,-1.7 4,-3.3 1,-0.2 5,-0.3 0.939 109.4 49.5 -61.5 -47.7 6.6 43.6 18.7 105 109 A L H X S+ 0 0 136 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.898 110.3 51.9 -57.1 -40.6 3.5 44.3 16.7 106 110 A A H X S+ 0 0 33 -4,-1.7 4,-2.6 -5,-0.3 -2,-0.2 0.950 113.2 43.6 -64.5 -44.2 5.1 47.6 15.6 107 111 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.941 114.7 47.7 -65.6 -48.7 8.2 45.8 14.5 108 112 A V H X S+ 0 0 57 -4,-3.3 4,-2.5 1,-0.2 5,-0.2 0.925 115.2 47.5 -60.2 -42.9 6.5 42.9 12.7 109 113 A G H X S+ 0 0 38 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.914 112.5 46.5 -63.8 -48.9 4.2 45.4 11.0 110 114 A A H X S+ 0 0 13 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.859 113.0 53.2 -57.8 -36.9 6.9 47.7 9.9 111 115 A D H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.908 106.5 49.9 -71.2 -40.3 8.8 44.6 8.7 112 116 A G H X S+ 0 0 28 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.894 111.8 49.4 -63.0 -35.6 5.9 43.3 6.6 113 117 A I H X S+ 0 0 96 -4,-1.9 4,-2.8 -5,-0.2 5,-0.4 0.957 108.7 53.8 -68.6 -43.7 5.7 46.7 5.0 114 118 A M H X S+ 0 0 16 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.940 116.9 35.5 -50.9 -54.2 9.4 46.7 4.4 115 119 A I H X S+ 0 0 13 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.938 116.6 53.8 -73.2 -43.6 9.4 43.4 2.6 116 120 A G H X S+ 0 0 30 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.899 112.4 43.3 -54.9 -42.9 6.0 43.9 0.9 117 121 A T H X S+ 0 0 18 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.828 111.2 55.6 -76.8 -30.0 7.0 47.3 -0.6 118 122 A G H X S+ 0 0 8 -4,-1.6 4,-2.3 -5,-0.4 -2,-0.2 0.923 108.9 48.2 -64.0 -40.9 10.4 45.8 -1.6 119 123 A L H X S+ 0 0 58 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.934 111.1 49.4 -62.6 -47.1 8.5 43.1 -3.5 120 124 A V H X S+ 0 0 61 -4,-2.1 4,-0.9 1,-0.2 3,-0.5 0.954 112.8 47.5 -59.2 -45.4 6.3 45.6 -5.2 121 125 A G H >< S+ 0 0 0 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.910 108.9 55.3 -61.6 -36.5 9.3 47.7 -6.2 122 126 A A H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.812 115.7 37.6 -65.0 -28.9 11.0 44.5 -7.4 123 127 A L H 3< S+ 0 0 74 -4,-1.7 2,-0.3 -3,-0.5 -1,-0.2 0.353 87.1 119.7-102.8 -2.8 8.1 43.7 -9.7 124 128 A T << - 0 0 24 -4,-0.9 6,-0.1 -3,-0.7 -59,-0.0 -0.501 48.8-158.0 -73.1 126.9 7.2 47.3 -10.9 125 129 A K S S+ 0 0 148 -2,-0.3 2,-0.8 1,-0.1 -57,-0.3 0.682 72.8 82.7 -84.2 -16.0 7.5 47.8 -14.6 126 130 A V S >> S- 0 0 75 1,-0.2 4,-1.2 -59,-0.1 3,-0.5 -0.812 73.4-149.3 -89.4 111.2 7.9 51.7 -14.5 127 131 A Y H >> S+ 0 0 91 -2,-0.8 3,-0.7 1,-0.2 4,-0.6 0.828 91.4 50.2 -47.5 -51.2 11.6 52.2 -13.8 128 132 A S H >> S+ 0 0 83 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.876 106.7 55.2 -56.8 -45.1 11.2 55.5 -11.9 129 133 A Y H <> S+ 0 0 139 -3,-0.5 4,-1.9 1,-0.2 3,-0.5 0.798 91.7 72.5 -62.4 -28.6 8.5 54.1 -9.5 130 134 A R H X S+ 0 0 138 -4,-2.6 4,-3.9 -5,-0.3 3,-0.6 0.971 109.7 44.7 -64.0 -54.7 15.5 53.0 15.3 147 151 A V H 3X S+ 0 0 14 -4,-2.5 4,-1.3 1,-0.3 5,-0.2 0.910 111.4 52.8 -58.7 -41.8 13.2 51.0 17.6 148 152 A L H 3< S+ 0 0 0 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.847 120.4 36.7 -62.4 -26.9 15.9 48.3 18.0 149 153 A F H << S+ 0 0 70 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.768 130.8 22.3 -95.0 -34.8 18.3 51.1 19.0 150 154 A F H < S+ 0 0 141 -4,-3.9 -3,-0.2 -5,-0.1 -2,-0.2 0.206 113.5 62.2-123.5 20.3 16.2 53.6 21.0 151 155 A G < 0 0 51 -4,-1.3 -3,-0.1 -5,-0.3 -4,-0.1 0.487 360.0 360.0-119.5 -3.1 13.2 51.6 22.3 152 156 A F 0 0 87 -5,-0.2 -2,-0.1 -4,-0.1 -3,-0.1 0.735 360.0 360.0-115.8 360.0 15.1 49.1 24.5 153 ! 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 0 183 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 57.8 17.2 46.0 34.8 155 163 A M - 0 0 99 1,-0.1 -58,-0.1 2,-0.0 5,-0.1 -0.678 360.0 -84.4 -84.8 149.9 17.6 43.0 32.5 156 164 A R >> - 0 0 85 -2,-0.3 4,-1.7 1,-0.1 3,-0.9 -0.213 39.3-117.6 -50.8 140.8 20.2 40.4 33.5 157 165 A P H 3> S+ 0 0 106 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.714 114.3 65.5 -57.9 -20.0 23.6 41.5 32.2 158 166 A E H 3> S+ 0 0 77 2,-0.2 4,-1.7 3,-0.1 62,-0.3 0.888 103.4 45.4 -66.2 -43.1 23.6 38.3 30.1 159 167 A V H <> S+ 0 0 7 -3,-0.9 4,-3.3 2,-0.2 5,-0.3 0.985 113.4 47.7 -60.9 -58.9 20.6 39.6 28.1 160 168 A A H X S+ 0 0 21 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.885 111.5 51.3 -53.2 -43.5 22.0 43.1 27.6 161 169 A S H X S+ 0 0 78 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.892 115.8 39.0 -63.9 -44.0 25.4 41.8 26.5 162 170 A T H X S+ 0 0 17 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.884 113.9 55.4 -75.3 -36.8 24.1 39.4 23.9 163 171 A F H X S+ 0 0 11 -4,-3.3 4,-4.0 -5,-0.2 5,-0.2 0.955 105.8 51.9 -59.7 -47.2 21.4 41.9 22.8 164 172 A K H X S+ 0 0 116 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.914 112.3 45.7 -57.9 -45.2 24.0 44.6 22.1 165 173 A V H X S+ 0 0 69 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.972 116.4 43.9 -58.4 -57.2 26.0 42.2 19.9 166 174 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.903 112.2 54.5 -60.7 -39.8 23.0 40.9 18.0 167 175 A R H X S+ 0 0 36 -4,-4.0 4,-2.3 -5,-0.3 -1,-0.2 0.910 109.9 45.9 -59.4 -41.3 21.7 44.4 17.6 168 176 A N H X S+ 0 0 78 -4,-2.1 4,-1.9 -5,-0.2 5,-0.3 0.866 111.5 52.6 -69.3 -36.5 25.0 45.6 16.1 169 177 A V H X S+ 0 0 34 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.929 110.5 48.9 -60.7 -44.6 25.1 42.6 13.8 170 178 A T H X>S+ 0 0 1 -4,-2.6 4,-3.0 -5,-0.2 5,-0.5 0.954 109.9 49.0 -62.1 -52.2 21.5 43.4 12.6 171 179 A V H X5S+ 0 0 33 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.927 115.5 44.0 -56.9 -45.2 22.1 47.0 11.9 172 180 A V H X5S+ 0 0 104 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.2 0.957 121.3 37.3 -64.7 -52.2 25.3 46.3 9.9 173 181 A L H >X5S+ 0 0 27 -4,-2.7 3,-1.1 -5,-0.3 4,-0.7 0.969 117.3 47.7 -72.0 -47.3 23.9 43.4 7.9 174 182 A W H ><5S+ 0 0 14 -4,-3.0 3,-1.0 -5,-0.3 -1,-0.2 0.876 105.7 60.9 -62.6 -35.9 20.4 44.5 7.3 175 183 A S H 3X S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.874 113.5 52.1 -61.0 -30.7 18.9 48.2 0.4 179 187 A V H X S+ 0 0 80 -4,-0.7 4,-2.2 2,-0.2 5,-0.2 0.954 110.0 46.7 -68.4 -44.6 22.3 49.1 -0.9 180 188 A V H X S+ 0 0 10 -4,-2.7 4,-2.0 1,-0.2 7,-0.2 0.960 114.6 47.5 -61.2 -46.3 22.7 45.8 -2.8 181 189 A W H < S+ 0 0 13 -4,-2.8 6,-0.6 -5,-0.2 8,-0.3 0.926 110.7 52.4 -59.7 -43.3 19.2 46.1 -4.2 182 190 A L H < S+ 0 0 57 -4,-2.3 6,-3.5 -5,-0.3 7,-0.2 0.889 119.1 33.6 -61.6 -41.5 19.8 49.7 -5.3 183 191 A I H < S+ 0 0 49 -4,-2.2 8,-2.5 4,-0.2 7,-1.5 0.611 112.0 76.0 -90.8 -14.7 23.0 48.9 -7.2 184 192 A G S ><>S- 0 0 0 -4,-2.0 5,-2.1 -5,-0.2 3,-1.9 -0.049 105.9 -70.4 -92.3-169.1 22.0 45.5 -8.4 185 193 A S T 3 5S+ 0 0 20 1,-0.3 -4,-0.1 6,-0.2 -3,-0.1 0.709 127.3 56.8 -62.7 -17.1 19.7 44.2 -11.1 186 194 A E T 3 5S+ 0 0 0 -5,-0.2 -1,-0.3 -6,-0.2 -4,-0.1 0.687 121.8 19.2 -82.8 -19.5 16.5 45.3 -9.2 187 195 A G T < 5S- 0 0 2 -3,-1.9 -4,-0.2 -6,-0.6 -5,-0.2 0.366 134.1 -15.0-117.7-116.1 17.7 48.9 -9.1 188 196 A A T 5S- 0 0 44 -6,-3.5 -5,-0.2 -7,-0.1 -3,-0.1 0.609 74.2-135.8 -77.3 -16.1 20.3 50.8 -11.1 189 197 A G < + 0 0 48 -5,-2.1 -5,-0.2 -8,-0.3 -4,-0.1 0.834 60.4 135.2 65.6 33.6 21.9 47.6 -12.4 190 198 A I + 0 0 125 -7,-1.5 -6,-0.2 -6,-0.2 -7,-0.1 0.693 67.9 52.2 -80.8 -24.6 25.5 48.9 -11.8 191 199 A V S S- 0 0 28 -8,-2.5 -6,-0.2 -11,-0.1 -1,-0.1 -0.946 94.7-118.3-114.1 130.3 26.4 45.5 -10.4 192 200 A P > - 0 0 78 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.244 27.4-107.5 -70.2 161.8 25.7 42.3 -12.4 193 201 A L H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.800 114.4 57.0 -61.8 -33.1 23.3 39.7 -11.1 194 202 A N H > S+ 0 0 50 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 111.2 42.6 -70.5 -34.4 25.9 37.1 -10.3 195 203 A I H > S+ 0 0 69 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.887 114.2 52.4 -75.4 -36.2 27.8 39.4 -8.0 196 204 A E H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.933 108.5 49.6 -61.8 -41.6 24.6 40.6 -6.5 197 205 A T H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.915 110.3 52.1 -65.3 -39.0 23.5 37.0 -5.8 198 206 A L H X S+ 0 0 44 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.914 109.0 50.2 -58.9 -42.5 26.8 36.4 -4.2 199 207 A L H X S+ 0 0 62 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.950 111.6 46.5 -63.0 -47.3 26.4 39.5 -2.0 200 208 A F H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.853 109.7 55.8 -63.9 -33.3 22.9 38.4 -0.9 201 209 A M H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.927 109.9 44.5 -66.0 -45.6 24.2 34.9 -0.2 202 210 A V H X S+ 0 0 76 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.929 116.4 47.4 -61.1 -45.3 26.9 36.2 2.1 203 211 A L H X S+ 0 0 21 -4,-2.7 4,-3.0 -5,-0.2 -2,-0.2 0.952 113.5 47.6 -61.8 -47.4 24.5 38.6 3.8 204 212 A D H X S+ 0 0 0 -4,-3.0 4,-1.7 2,-0.2 5,-0.5 0.922 112.1 46.9 -62.7 -49.5 21.8 35.9 4.2 205 213 A V H X>S+ 0 0 26 -4,-2.4 5,-2.3 -5,-0.2 4,-1.8 0.939 116.7 45.9 -59.8 -42.0 24.0 33.2 5.7 206 214 A S H <>S+ 0 0 47 -4,-2.0 5,-2.2 -5,-0.3 -2,-0.2 0.906 114.4 47.5 -64.4 -43.0 25.5 35.7 8.1 207 215 A A H <5S+ 0 0 2 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.722 128.0 24.5 -73.7 -19.7 22.1 37.1 9.1 208 216 A K H X5S+ 0 0 6 -4,-1.7 4,-1.6 -5,-0.2 -3,-0.2 0.808 135.1 24.5-109.5 -59.7 20.6 33.7 9.6 209 217 A V H X5S+ 0 0 21 -4,-1.8 4,-2.7 -5,-0.5 -3,-0.2 0.955 127.2 44.8 -79.3 -48.6 23.3 31.1 10.4 210 218 A G H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 6,-0.3 0.931 112.3 47.4 -60.9 -44.3 22.4 33.6 19.7 216 224 A L H 3< S+ 0 0 7 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.673 103.1 62.7 -80.6 -11.3 22.6 30.0 20.7 217 225 A R H 3< S+ 0 0 176 -4,-1.2 -1,-0.3 -3,-0.4 2,-0.2 0.631 91.6 85.3 -80.5 -14.3 26.1 30.3 22.2 218 226 A S S X< S- 0 0 18 -3,-1.1 3,-0.6 -4,-0.6 -59,-0.0 -0.551 71.8-142.7 -91.7 154.8 24.8 32.7 24.9 219 227 A R G > S+ 0 0 173 1,-0.2 3,-1.9 -2,-0.2 -1,-0.1 0.519 86.0 91.2 -87.8 -3.2 23.1 31.8 28.2 220 228 A A G 3 S+ 0 0 8 -62,-0.3 -1,-0.2 1,-0.3 -61,-0.1 0.766 78.1 64.4 -63.1 -19.7 20.7 34.7 27.8 221 229 A I G < S+ 0 0 0 -3,-0.6 2,-0.3 -6,-0.3 -1,-0.3 0.556 88.2 80.9 -79.9 -11.6 18.3 32.3 26.1 222 230 A F < 0 0 45 -3,-1.9 -3,-0.0 -188,-0.1 0, 0.0 -0.774 360.0 360.0 -98.6 145.6 17.8 30.1 29.1 223 231 A G 0 0 69 -2,-0.3 -1,-0.1 0, 0.0 -191,-0.0 -0.055 360.0 360.0 -67.6 360.0 15.4 31.0 31.9