==== 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 2WJL . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR M.POTSCHIES,S.WOLF,E.FREIER,E.HOFMANN,K.GERWERT . 222 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10323.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 85.1 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 . 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 . 144 64.9 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 1 0 1 2 1 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 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 90 0, 0.0 5,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 176.2 23.1 25.5 -15.1 2 6 A G + 0 0 89 4,-0.1 3,-0.0 3,-0.0 0, 0.0 0.452 360.0 92.0 -71.1 -1.1 23.0 27.9 -18.0 3 7 A R S > S- 0 0 57 1,-0.1 3,-1.7 191,-0.0 4,-0.3 -0.863 71.9-145.2-102.9 127.5 22.9 30.7 -15.4 4 8 A P T > S+ 0 0 88 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.746 99.1 57.1 -57.1 -27.5 26.0 32.3 -14.1 5 9 A E T >> S+ 0 0 6 1,-0.2 4,-2.0 2,-0.1 3,-0.5 0.514 75.8 97.2 -90.0 0.9 24.6 32.7 -10.6 6 10 A W H <> S+ 0 0 109 -3,-1.7 4,-2.7 1,-0.2 5,-0.2 0.870 77.8 59.6 -52.5 -42.4 23.8 29.0 -10.1 7 11 A I H <> S+ 0 0 66 -3,-0.5 4,-2.4 -4,-0.3 -1,-0.2 0.904 108.9 42.1 -58.5 -43.1 27.0 28.5 -8.2 8 12 A W H <> S+ 0 0 71 -3,-0.5 4,-2.3 -4,-0.3 -1,-0.2 0.847 115.5 49.1 -74.1 -33.5 26.0 31.1 -5.5 9 13 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.780 112.6 50.2 -73.6 -23.8 22.5 29.8 -5.4 10 14 A A H X S+ 0 0 25 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.909 113.4 43.8 -75.8 -42.1 24.0 26.3 -5.1 11 15 A L H X S+ 0 0 66 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.832 111.3 55.9 -70.1 -35.3 26.3 27.3 -2.3 12 16 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.944 108.3 48.0 -58.9 -49.2 23.4 29.3 -0.7 13 17 A T H X S+ 0 0 14 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.938 112.5 47.3 -58.0 -50.1 21.3 26.1 -0.6 14 18 A A H X S+ 0 0 45 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.976 113.9 46.2 -57.7 -55.4 24.0 23.9 0.9 15 19 A L H X S+ 0 0 56 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.876 114.6 46.3 -58.6 -41.7 24.9 26.4 3.6 16 20 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.920 114.1 48.8 -67.1 -41.3 21.3 27.1 4.6 17 21 A G H X S+ 0 0 15 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.829 111.2 51.8 -64.6 -32.4 20.5 23.4 4.6 18 22 A L H X S+ 0 0 103 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.908 107.7 50.4 -73.4 -40.3 23.6 22.8 6.7 19 23 A G H X S+ 0 0 6 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.904 108.6 52.5 -64.4 -39.5 22.7 25.4 9.3 20 24 A T H X S+ 0 0 14 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.959 110.6 47.0 -63.2 -46.9 19.2 23.9 9.7 21 25 A L H X S+ 0 0 114 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.934 114.1 48.0 -57.0 -47.1 20.6 20.4 10.3 22 26 A Y H X S+ 0 0 83 -4,-2.4 4,-3.4 1,-0.2 -1,-0.2 0.936 115.0 44.7 -59.2 -48.3 23.1 21.8 12.8 23 27 A F H X S+ 0 0 0 -4,-3.0 4,-3.8 2,-0.2 -1,-0.2 0.870 114.4 48.8 -67.2 -37.5 20.5 23.8 14.6 24 28 A L H X S+ 0 0 103 -4,-3.1 4,-1.9 -5,-0.2 -2,-0.2 0.972 115.5 43.5 -66.2 -52.0 18.0 21.0 14.7 25 29 A V H >< S+ 0 0 105 -4,-2.7 3,-0.6 -5,-0.3 -2,-0.2 0.966 118.3 44.8 -50.9 -54.8 20.5 18.5 15.9 26 30 A K H 3< S+ 0 0 55 -4,-3.4 -2,-0.2 -5,-0.3 -1,-0.2 0.948 105.7 62.8 -56.0 -46.0 21.8 21.1 18.4 27 31 A G H >< S+ 0 0 19 -4,-3.8 3,-1.5 -5,-0.2 2,-0.7 0.833 86.2 84.0 -45.9 -38.1 18.1 21.8 19.1 28 32 A M T << S+ 0 0 169 -4,-1.9 -4,-0.0 -3,-0.6 -1,-0.0 -0.639 81.5 52.2 -72.4 114.7 18.0 18.3 20.4 29 33 A G T 3 S+ 0 0 78 -2,-0.7 2,-0.2 1,-0.3 -1,-0.2 0.207 80.8 120.2 140.0 -9.3 19.3 18.7 23.9 30 34 A V < + 0 0 32 -3,-1.5 -1,-0.3 1,-0.1 -3,-0.0 -0.578 18.5 154.0 -91.2 147.4 17.0 21.4 25.2 31 35 A S + 0 0 101 -2,-0.2 -1,-0.1 1,-0.1 5,-0.1 0.517 48.4 97.6-132.0 -40.0 14.6 21.3 28.1 32 36 A D > - 0 0 35 1,-0.1 4,-2.2 2,-0.1 3,-0.2 -0.423 68.5-142.0 -61.0 119.7 14.2 24.9 29.3 33 37 A P H >> S+ 0 0 84 0, 0.0 4,-1.7 0, 0.0 3,-0.8 0.925 98.1 49.0 -47.7 -65.9 11.0 26.2 27.7 34 38 A D H 3> S+ 0 0 48 1,-0.3 4,-1.5 2,-0.2 188,-0.1 0.828 111.2 51.7 -44.2 -42.3 12.2 29.7 26.9 35 39 A A H 3> S+ 0 0 0 -3,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.907 103.7 58.3 -65.8 -38.2 15.3 28.2 25.3 36 40 A K H XX S+ 0 0 116 -4,-2.2 4,-2.8 -3,-0.8 3,-1.0 0.939 100.5 57.7 -52.0 -52.3 13.1 26.0 23.2 37 41 A K H 3X S+ 0 0 105 -4,-1.7 4,-2.3 1,-0.3 5,-0.3 0.891 105.2 49.2 -40.9 -54.8 11.5 29.2 21.8 38 42 A F H 3X S+ 0 0 11 -4,-1.5 4,-1.6 183,-0.2 -1,-0.3 0.769 112.4 48.0 -68.1 -23.0 14.8 30.5 20.6 39 43 A Y H S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 -1,-0.3 0.788 113.3 66.7 -70.6 -18.3 17.4 29.0 7.5 47 51 A A H X S+ 0 0 23 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.973 107.4 38.9 -60.1 -48.4 14.9 26.2 7.1 48 52 A I H X S+ 0 0 33 -4,-2.9 4,-2.2 2,-0.2 3,-0.2 0.946 114.7 52.6 -62.2 -50.4 12.7 28.6 5.1 49 53 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.3 5,-0.3 0.903 104.6 59.0 -53.5 -42.9 15.7 30.2 3.4 50 54 A F H X S+ 0 0 76 -4,-3.2 4,-1.9 1,-0.2 -1,-0.3 0.934 105.8 47.3 -50.1 -50.6 16.8 26.6 2.4 51 55 A T H X S+ 0 0 68 -4,-1.7 4,-1.8 -3,-0.2 -1,-0.2 0.922 114.2 46.1 -65.3 -35.9 13.5 26.1 0.5 52 56 A M H X S+ 0 0 42 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.898 108.3 54.0 -78.5 -31.6 13.7 29.4 -1.3 53 57 A Y H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 0.936 110.6 48.7 -64.7 -40.0 17.3 29.2 -2.4 54 58 A L H X S+ 0 0 61 -4,-1.9 4,-3.4 -5,-0.3 5,-0.4 0.926 107.4 55.0 -62.2 -41.6 16.6 25.8 -3.9 55 59 A S H X>S+ 0 0 16 -4,-1.8 5,-3.2 1,-0.2 6,-1.0 0.906 111.9 43.5 -61.4 -36.5 13.6 27.2 -5.7 56 60 A M H <5S+ 0 0 0 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.897 113.3 53.4 -71.1 -37.6 15.8 29.9 -7.2 57 61 A L H <5S+ 0 0 34 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.923 114.1 38.7 -65.1 -45.3 18.4 27.2 -8.0 58 62 A L H <5S- 0 0 136 -4,-3.4 -1,-0.3 -5,-0.1 -2,-0.2 0.614 120.6-117.8 -76.2 -12.7 16.0 24.9 -9.8 59 63 A G T ><5S+ 0 0 25 -4,-0.7 3,-0.7 -5,-0.4 -3,-0.2 0.637 76.5 126.9 88.9 23.9 14.6 28.2 -11.2 60 64 A Y T 3 +A 70 0A 15 3,-2.5 3,-1.0 -2,-0.5 59,-0.1 -0.942 51.5 19.5-176.2 158.5 11.4 47.8 -17.6 68 72 A G T 3 S- 0 0 64 57,-0.5 3,-0.1 1,-0.3 58,-0.1 0.525 130.8 -40.9 53.4 17.0 13.8 50.6 -18.5 69 73 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 -0.371 121.3 28.4 136.7 -59.6 14.1 49.2 -22.0 70 74 A E E < S-A 67 0A 158 -3,-1.0 -3,-2.5 -5,-0.1 2,-0.4 -0.475 90.4 -64.4-124.6-167.1 14.3 45.4 -22.0 71 75 A Q E -A 66 0A 112 -5,-0.2 -1,-0.0 -2,-0.2 -7,-0.0 -0.704 47.7-156.5 -87.5 130.1 13.3 42.2 -20.1 72 76 A N E -A 65 0A 35 -7,-2.7 -7,-4.1 -2,-0.4 2,-0.4 -0.908 13.2-129.6-115.4 133.7 14.8 41.9 -16.7 73 77 A P E -A 64 0A 41 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.630 30.6-177.5 -80.2 129.5 15.4 38.7 -14.7 74 78 A I E -A 63 0A 0 -11,-4.2 -11,-2.6 -2,-0.4 2,-0.9 -0.931 24.0-146.3-137.1 113.9 14.0 39.0 -11.2 75 79 A Y E +A 62 0A 0 -2,-0.4 3,-0.3 -13,-0.2 -13,-0.2 -0.682 22.5 172.6 -74.3 104.1 14.2 36.4 -8.4 76 80 A W >> + 0 0 88 -15,-0.9 3,-1.5 -2,-0.9 4,-1.3 0.709 67.2 77.3 -88.2 -21.0 11.0 36.9 -6.5 77 81 A A H 3> S+ 0 0 0 -16,-1.6 4,-1.7 1,-0.3 -1,-0.2 0.794 83.0 71.2 -57.5 -24.6 11.5 33.8 -4.3 78 82 A R H 3> S+ 0 0 0 -17,-0.3 4,-1.9 -3,-0.3 -1,-0.3 0.865 99.5 44.0 -56.4 -39.5 13.9 36.1 -2.4 79 83 A Y H <> S+ 0 0 3 -3,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.808 106.2 58.1 -80.3 -33.2 11.0 38.2 -1.0 80 84 A A H X S+ 0 0 28 -4,-1.3 4,-0.8 2,-0.2 -1,-0.2 0.908 111.6 45.6 -61.6 -36.3 8.8 35.3 -0.1 81 85 A D H >X S+ 0 0 2 -4,-1.7 4,-3.2 2,-0.2 3,-1.1 0.962 113.4 45.9 -64.6 -56.9 11.7 34.1 2.1 82 86 A W H 3X S+ 0 0 19 -4,-1.9 4,-1.5 1,-0.3 -2,-0.2 0.802 102.6 70.2 -58.5 -31.4 12.4 37.5 3.6 83 87 A L H 3< S+ 0 0 76 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.874 115.8 20.4 -55.9 -40.3 8.7 37.8 4.2 84 88 A F H S+ 0 0 27 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.869 109.7 56.7 -58.3 -28.6 10.1 38.8 11.2 88 92 A L H X S+ 0 0 41 -4,-0.9 4,-0.9 2,-0.2 -2,-0.2 0.828 107.0 47.2 -70.9 -31.1 11.5 35.6 12.7 89 93 A L H X S+ 0 0 5 -4,-1.5 4,-1.7 -3,-0.5 3,-0.5 0.923 109.4 51.2 -77.0 -42.5 14.8 37.3 13.4 90 94 A L H X S+ 0 0 2 -4,-2.1 4,-3.2 1,-0.3 -2,-0.2 0.778 106.1 58.3 -60.1 -30.0 13.3 40.4 15.1 91 95 A L H X S+ 0 0 46 -4,-1.2 4,-2.8 -5,-0.3 -1,-0.3 0.849 102.3 52.8 -70.3 -35.1 11.3 38.0 17.2 92 96 A D H X S+ 0 0 0 -4,-0.9 4,-1.2 -3,-0.5 -2,-0.2 0.910 114.8 41.4 -62.6 -44.6 14.6 36.5 18.4 93 97 A L H X S+ 0 0 1 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.919 115.1 53.0 -67.3 -45.1 15.8 40.0 19.4 94 98 A A H <>S+ 0 0 2 -4,-3.2 5,-2.9 1,-0.2 3,-0.3 0.926 112.6 40.5 -57.9 -53.0 12.4 40.9 20.8 95 99 A L H ><5S+ 0 0 50 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.787 107.0 66.0 -73.5 -21.8 12.0 37.9 23.1 96 100 A L H 3<5S+ 0 0 11 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.894 112.5 32.9 -60.3 -40.1 15.7 38.2 24.1 97 101 A V T 3<5S- 0 0 28 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.234 113.7-113.1-104.1 14.5 14.9 41.6 25.7 98 102 A D T < 5 - 0 0 139 -3,-0.7 -3,-0.2 -4,-0.2 -4,-0.1 0.894 47.7-160.0 60.7 39.9 11.4 40.7 26.8 99 103 A A < - 0 0 16 -5,-2.9 2,-0.3 -6,-0.1 53,-0.1 0.124 18.5 -98.9 -49.3 163.3 9.9 43.2 24.4 100 104 A D > - 0 0 123 1,-0.1 4,-2.8 0, 0.0 5,-0.2 -0.658 23.6-122.4 -83.8 145.4 6.4 44.6 24.8 101 105 A Q H > S+ 0 0 158 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.891 115.8 55.1 -46.9 -43.6 3.6 43.1 22.8 102 106 A G H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.939 110.3 42.5 -59.2 -49.8 3.1 46.7 21.4 103 107 A T H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.814 110.1 56.8 -70.4 -29.0 6.6 47.0 20.3 104 108 A I H X S+ 0 0 36 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.867 106.9 51.8 -69.0 -28.1 6.6 43.5 18.9 105 109 A L H X S+ 0 0 117 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.913 109.3 47.4 -68.4 -46.7 3.6 44.6 16.8 106 110 A A H X S+ 0 0 31 -4,-1.7 4,-3.2 2,-0.2 5,-0.3 0.906 111.6 50.1 -63.4 -46.5 5.3 47.7 15.3 107 111 A L H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.955 114.9 42.6 -57.8 -54.7 8.5 45.9 14.4 108 112 A V H X S+ 0 0 56 -4,-1.6 4,-2.5 -5,-0.2 5,-0.2 0.925 116.2 48.8 -60.1 -48.2 6.8 43.0 12.6 109 113 A G H X S+ 0 0 36 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.934 112.5 47.0 -58.7 -50.2 4.3 45.4 10.9 110 114 A A H X S+ 0 0 11 -4,-3.2 4,-2.6 -5,-0.2 -1,-0.2 0.877 111.2 54.7 -60.0 -33.1 7.1 47.8 9.8 111 115 A D H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 5,-0.3 0.944 105.3 50.0 -66.0 -48.0 9.0 44.7 8.5 112 116 A G H X S+ 0 0 31 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.842 111.1 51.1 -60.0 -33.6 6.1 43.4 6.4 113 117 A I H X S+ 0 0 93 -4,-1.9 4,-3.2 -5,-0.2 5,-0.4 0.977 108.3 52.9 -66.6 -46.9 6.0 46.9 4.9 114 118 A M H X S+ 0 0 16 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.959 118.8 32.2 -49.2 -62.5 9.7 46.8 4.2 115 119 A I H X S+ 0 0 13 -4,-2.5 4,-3.4 2,-0.2 5,-0.2 0.948 116.7 58.4 -61.9 -47.1 9.7 43.6 2.3 116 120 A G H X S+ 0 0 33 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.868 112.2 38.8 -53.8 -45.7 6.2 44.1 0.9 117 121 A T H X S+ 0 0 16 -4,-3.2 4,-2.8 -5,-0.2 5,-0.3 0.879 112.4 58.7 -73.3 -35.7 7.3 47.4 -0.8 118 122 A G H X S+ 0 0 11 -4,-2.3 4,-1.6 -5,-0.4 -2,-0.2 0.923 107.3 47.1 -58.4 -40.3 10.6 45.9 -1.7 119 123 A L H X S+ 0 0 58 -4,-3.4 4,-1.6 2,-0.2 -1,-0.2 0.924 108.7 55.6 -66.1 -40.2 8.7 43.2 -3.6 120 124 A V H X S+ 0 0 58 -4,-1.6 4,-0.8 1,-0.2 3,-0.3 0.932 109.5 44.6 -61.2 -45.8 6.5 45.8 -5.3 121 125 A G H >< S+ 0 0 1 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.882 107.5 60.4 -66.7 -28.3 9.5 47.8 -6.6 122 126 A A H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.893 115.3 34.0 -64.0 -34.7 11.1 44.5 -7.7 123 127 A L H 3< S+ 0 0 77 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.318 90.0 121.3-101.1 0.5 8.1 43.8 -10.0 124 128 A T << - 0 0 23 -4,-0.8 6,-0.0 -3,-0.5 -3,-0.0 -0.417 50.2-154.0 -69.1 147.4 7.3 47.4 -11.0 125 129 A K S S+ 0 0 138 1,-0.1 2,-0.8 -58,-0.1 -57,-0.5 0.712 74.7 77.2 -99.1 -26.7 7.4 48.1 -14.7 126 130 A V S >> S- 0 0 73 1,-0.2 4,-1.2 -59,-0.1 3,-0.8 -0.830 75.5-145.8 -88.1 106.6 8.2 51.8 -14.7 127 131 A Y H >> S+ 0 0 100 -2,-0.8 3,-0.7 1,-0.3 4,-0.7 0.837 95.1 49.2 -38.0 -58.2 12.0 52.1 -14.0 128 132 A S H >> S+ 0 0 70 1,-0.2 4,-1.0 2,-0.2 3,-0.7 0.861 103.1 60.4 -55.0 -42.3 11.7 55.3 -12.0 129 133 A Y H <> S+ 0 0 137 -3,-0.8 4,-2.3 1,-0.2 3,-0.4 0.852 92.0 70.1 -59.4 -34.5 8.8 54.1 -9.8 130 134 A R H X S+ 0 0 25 -4,-3.0 4,-1.8 1,-0.2 3,-0.5 0.950 105.5 59.4 -63.0 -41.3 14.2 51.9 3.2 139 143 A A H 3X S+ 0 0 58 -4,-3.3 4,-1.1 1,-0.3 -1,-0.2 0.837 105.3 49.4 -57.9 -30.2 12.2 54.3 5.3 140 144 A A H 3X S+ 0 0 11 -4,-1.7 4,-1.9 -3,-0.4 -1,-0.3 0.836 105.2 56.5 -76.4 -31.1 10.7 51.3 7.2 141 145 A M H X S+ 0 0 120 -4,-2.3 3,-2.5 -5,-0.2 4,-2.3 0.987 109.0 48.4 -51.1 -61.7 15.6 52.9 15.3 147 151 A V H 3X S+ 0 0 8 -4,-3.4 4,-1.5 1,-0.3 -2,-0.2 0.859 105.9 56.6 -52.5 -38.4 13.2 50.9 17.5 148 152 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.463 116.9 36.7 -79.2 9.5 15.8 48.3 18.4 149 153 A F H <4 S+ 0 0 85 -3,-2.5 -2,-0.2 -4,-0.2 -1,-0.2 0.663 130.5 21.0-122.6 -38.5 18.1 51.1 19.7 150 154 A F H < S+ 0 0 147 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.309 133.6 32.5-122.0 6.0 15.9 53.7 21.4 151 155 A G < 0 0 44 -4,-1.5 -3,-0.1 -5,-0.4 -4,-0.1 0.164 360.0 360.0-147.6 13.8 12.7 51.8 22.1 152 156 A F 0 0 54 -6,-0.2 -1,-0.2 -53,-0.1 -53,-0.0 -0.962 360.0 360.0-136.6 360.0 14.2 48.4 22.8 153 ! 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 0 173 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 58.6 18.1 47.1 33.3 155 163 A M - 0 0 95 1,-0.1 5,-0.1 2,-0.0 4,-0.1 -0.861 360.0 -71.7-123.6 160.6 18.1 43.5 32.2 156 164 A R >> - 0 0 99 -2,-0.3 4,-2.0 1,-0.1 3,-1.1 -0.213 45.8-125.9 -57.9 146.3 20.4 40.6 33.2 157 165 A P H 3> S+ 0 0 97 0, 0.0 4,-1.1 0, 0.0 5,-0.2 0.562 104.0 64.5 -79.1 -12.5 23.9 41.0 31.7 158 166 A E H 34 S+ 0 0 84 2,-0.1 62,-0.4 3,-0.1 61,-0.1 0.407 115.0 39.8 -85.6 7.0 24.4 37.7 29.9 159 167 A V H <> S+ 0 0 6 -3,-1.1 4,-3.6 3,-0.1 5,-0.2 0.740 110.3 51.8-111.7 -65.6 21.4 39.0 27.9 160 168 A A H X S+ 0 0 29 -4,-2.0 4,-2.9 1,-0.3 5,-0.2 0.890 113.1 47.4 -45.8 -51.0 22.1 42.7 27.4 161 169 A S H X S+ 0 0 76 -4,-1.1 4,-1.3 1,-0.2 -1,-0.3 0.863 113.5 47.5 -67.4 -34.8 25.6 42.0 26.1 162 170 A T H > S+ 0 0 19 -3,-0.2 4,-2.6 2,-0.2 5,-0.3 0.888 112.0 51.4 -70.9 -37.1 24.3 39.3 23.8 163 171 A F H X S+ 0 0 10 -4,-3.6 4,-2.9 1,-0.2 5,-0.3 0.947 106.6 51.6 -65.5 -43.6 21.6 41.6 22.6 164 172 A K H X S+ 0 0 128 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.880 112.7 49.3 -60.7 -33.1 24.0 44.5 21.8 165 173 A V H X S+ 0 0 67 -4,-1.3 4,-2.1 2,-0.2 3,-0.4 0.982 112.9 42.4 -66.7 -62.2 26.0 41.9 19.8 166 174 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.3 -2,-0.2 0.936 114.5 53.3 -52.3 -49.1 23.2 40.5 17.7 167 175 A R H X S+ 0 0 25 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.3 0.870 105.8 52.4 -56.9 -36.5 21.8 44.0 17.2 168 176 A N H X S+ 0 0 80 -4,-1.5 4,-2.2 -3,-0.4 -1,-0.2 0.945 110.4 49.5 -65.3 -40.6 25.1 45.2 15.9 169 177 A V H X S+ 0 0 36 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.925 111.8 48.3 -55.9 -52.2 25.1 42.3 13.4 170 178 A T H X S+ 0 0 2 -4,-2.7 4,-3.8 2,-0.2 5,-0.4 0.962 110.4 48.7 -56.1 -60.9 21.6 43.1 12.3 171 179 A V H X S+ 0 0 32 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.889 116.1 43.8 -50.0 -47.0 22.1 46.8 11.7 172 180 A V H X S+ 0 0 101 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.921 121.0 39.7 -68.1 -44.2 25.3 46.3 9.7 173 181 A L H >X S+ 0 0 28 -4,-2.9 3,-1.7 -5,-0.2 4,-0.9 0.975 115.2 49.3 -68.6 -53.8 23.8 43.4 7.7 174 182 A W H 3< S+ 0 0 14 -4,-3.8 3,-0.4 1,-0.3 -1,-0.2 0.795 106.5 58.7 -57.3 -29.4 20.3 44.7 7.1 175 183 A S H 3X S+ 0 0 45 -4,-1.4 4,-0.5 -5,-0.4 -1,-0.3 0.701 98.5 60.1 -71.6 -22.9 21.8 48.1 6.0 176 184 A A H S+ 0 0 19 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.807 114.4 51.2 -65.4 -21.3 19.1 48.3 0.4 179 187 A V H X S+ 0 0 85 -4,-0.5 4,-2.6 -3,-0.2 5,-0.3 0.948 110.9 45.1 -78.3 -45.8 22.6 49.1 -1.0 180 188 A V H X S+ 0 0 10 -4,-2.8 4,-2.2 1,-0.2 7,-0.2 0.878 112.5 52.3 -58.5 -41.1 22.9 45.8 -2.9 181 189 A W H < S+ 0 0 16 -4,-2.4 6,-0.4 -5,-0.2 7,-0.3 0.900 110.0 49.4 -66.3 -41.9 19.4 46.1 -4.3 182 190 A L H < S+ 0 0 55 -4,-1.3 6,-3.8 -5,-0.3 8,-0.4 0.959 118.2 36.7 -63.3 -50.2 20.1 49.6 -5.5 183 191 A I H < S+ 0 0 56 -4,-2.6 8,-2.0 4,-0.2 7,-0.8 0.810 110.4 82.6 -75.4 -21.4 23.4 48.8 -7.3 184 192 A G S ><>S- 0 0 0 -4,-2.2 5,-3.5 -5,-0.3 3,-0.9 0.077 99.3 -90.6 -75.5-175.0 22.1 45.4 -8.4 185 193 A S T 3 5S+ 0 0 21 1,-0.3 8,-0.1 7,-0.2 -4,-0.1 0.706 123.2 62.6 -67.3 -29.0 20.0 44.2 -11.3 186 194 A D T 3 5S+ 0 0 0 -6,-0.2 -1,-0.3 -5,-0.1 -4,-0.1 0.713 124.3 7.3 -66.5 -25.4 16.9 44.6 -9.2 187 195 A G T < 5S+ 0 0 2 -3,-0.9 -5,-0.2 -6,-0.4 -4,-0.2 0.398 135.0 3.6-124.2-103.0 17.6 48.4 -9.0 188 196 A A T 5S- 0 0 25 -6,-3.8 -3,-0.2 -7,-0.3 -5,-0.2 0.728 75.3-137.4 -72.3 -22.0 20.2 50.5 -10.8 189 197 A G < + 0 0 50 -5,-3.5 -4,-0.2 -7,-0.3 -5,-0.2 0.642 67.6 124.1 74.8 12.8 21.6 47.7 -12.9 190 198 A I S S+ 0 0 130 -7,-0.8 -6,-0.2 -6,-0.4 -7,-0.1 0.666 70.7 49.5 -78.1 -18.7 25.2 48.9 -12.2 191 199 A V S S- 0 0 27 -8,-2.0 -2,-0.1 -11,-0.1 -1,-0.1 -0.971 94.0-118.5-118.9 134.1 26.1 45.4 -10.9 192 200 A P > - 0 0 79 0, 0.0 4,-2.3 0, 0.0 -7,-0.2 -0.149 28.3-104.6 -68.9 169.9 25.2 42.3 -12.9 193 201 A L H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.865 117.6 61.9 -61.7 -35.5 22.9 39.6 -11.6 194 202 A N H > S+ 0 0 52 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.940 110.5 37.5 -57.1 -48.3 25.9 37.3 -10.9 195 203 A I H > S+ 0 0 58 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.907 113.9 55.4 -73.0 -38.4 27.4 39.7 -8.4 196 204 A E H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.899 108.6 49.4 -62.5 -36.7 24.1 40.8 -6.9 197 205 A T H X S+ 0 0 0 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.842 109.9 52.0 -67.7 -32.2 23.3 37.1 -6.3 198 206 A L H X S+ 0 0 46 -4,-1.3 4,-2.1 -5,-0.2 -2,-0.2 0.887 108.7 50.3 -70.4 -41.6 26.7 36.7 -4.6 199 207 A L H X S+ 0 0 57 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.960 110.8 46.8 -62.3 -51.8 26.2 39.7 -2.3 200 208 A F H X S+ 0 0 0 -4,-2.0 4,-3.4 1,-0.2 5,-0.2 0.874 110.1 54.7 -60.1 -36.6 22.7 38.6 -1.1 201 209 A M H X S+ 0 0 7 -4,-1.5 4,-2.4 1,-0.2 5,-0.3 0.941 108.2 47.9 -66.2 -41.5 24.0 35.1 -0.5 202 210 A V H X S+ 0 0 81 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.863 116.5 44.9 -65.8 -34.4 26.8 36.3 1.8 203 211 A L H X S+ 0 0 22 -4,-2.1 4,-3.6 -5,-0.2 5,-0.3 0.983 112.7 50.0 -68.7 -54.9 24.4 38.5 3.7 204 212 A D H X S+ 0 0 0 -4,-3.4 4,-1.8 1,-0.2 5,-0.4 0.925 113.0 44.7 -51.4 -55.5 21.7 35.9 4.0 205 213 A V H X>S+ 0 0 23 -4,-2.4 5,-2.7 -5,-0.2 4,-0.7 0.921 118.0 46.0 -57.8 -41.1 24.0 33.1 5.4 206 214 A S H <>S+ 0 0 53 -4,-1.3 5,-1.3 -5,-0.3 -2,-0.2 0.938 115.0 44.4 -68.1 -42.1 25.6 35.6 7.7 207 215 A A H <5S+ 0 0 4 -4,-3.6 -1,-0.2 3,-0.2 -2,-0.2 0.692 129.0 28.1 -76.4 -16.3 22.4 37.2 8.9 208 216 A K H X5S+ 0 0 6 -4,-1.8 4,-2.7 -5,-0.3 5,-0.2 0.794 134.6 21.6-107.7 -70.9 20.8 33.8 9.4 209 217 A V H X5S+ 0 0 20 -4,-0.7 4,-2.7 -5,-0.4 -3,-0.2 0.969 129.8 48.0 -64.3 -49.3 23.3 31.0 10.1 210 218 A G H >X S+ 0 0 70 -4,-1.7 4,-0.8 1,-0.2 3,-0.5 0.885 118.1 44.7 -51.3 -42.5 26.1 33.5 18.0 215 223 A L H >< S+ 0 0 0 -4,-1.8 3,-0.8 1,-0.2 6,-0.3 0.937 106.6 53.0 -72.2 -53.0 22.6 33.2 19.5 216 224 A L T 3< S+ 0 0 5 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.361 109.2 51.9 -75.4 11.0 22.2 29.5 20.2 217 225 A R T <4 S+ 0 0 148 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.671 86.8 101.1-109.9 -26.9 25.5 29.4 22.1 218 226 A S X< - 0 0 15 -4,-0.8 3,-0.9 -3,-0.8 -59,-0.1 -0.196 69.9-139.9 -58.5 141.8 24.7 32.3 24.5 219 227 A R G > S+ 0 0 148 1,-0.2 3,-1.7 2,-0.1 -1,-0.1 0.591 93.3 87.7 -77.1 -8.6 23.6 31.6 28.0 220 228 A A G 3 S+ 0 0 5 -62,-0.4 -1,-0.2 1,-0.3 -61,-0.1 0.773 75.9 64.5 -57.4 -29.0 21.2 34.5 27.4 221 229 A I G < S+ 0 0 2 -3,-0.9 -1,-0.3 -6,-0.3 -183,-0.2 0.438 97.7 69.1 -80.8 2.4 18.7 32.1 25.9 222 230 A F < 0 0 53 -3,-1.7 -3,-0.0 -188,-0.1 -4,-0.0 -0.465 360.0 360.0-110.1-179.7 18.1 30.2 29.2 223 231 A G 0 0 83 -2,-0.2 -1,-0.1 0, 0.0 -191,-0.0 -0.605 360.0 360.0 -90.9 360.0 16.7 30.8 32.6