==== 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 ION TRANSPORT 29-JUL-99 1C8S . COMPND 2 MOLECULE: BACTERIORHODOPSIN ("M" STATE INTERMEDIATE); . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR H.LUECKE . 196 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 84.2 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 2.6 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 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 2 1 1 0 1 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 . 1 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 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 0 122 0, 0.0 5,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.7 23.6 25.0 -16.2 2 6 A G + 0 0 77 1,-0.1 3,-0.1 3,-0.1 0, 0.0 0.360 360.0 92.7 -59.9 -5.8 23.1 28.2 -18.2 3 7 A R > - 0 0 61 1,-0.2 3,-3.7 2,-0.0 4,-0.3 -0.826 66.4-150.6-101.5 102.4 22.4 30.5 -15.2 4 8 A P T > S+ 0 0 83 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.738 94.3 49.7 -32.0 -48.7 25.7 32.1 -14.0 5 9 A E T 3> S+ 0 0 4 1,-0.2 4,-2.1 2,-0.1 3,-0.4 0.322 77.9 103.1 -83.8 10.8 24.5 32.4 -10.4 6 10 A W H <> S+ 0 0 95 -3,-3.7 4,-4.2 1,-0.2 5,-0.3 0.932 79.0 55.5 -59.1 -37.6 23.3 28.8 -10.2 7 11 A I H <> S+ 0 0 67 -3,-0.7 4,-3.1 -4,-0.3 -1,-0.2 0.890 106.4 49.4 -64.7 -32.2 26.4 28.0 -8.2 8 12 A W H > S+ 0 0 64 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.847 113.3 47.5 -72.9 -33.6 25.7 30.7 -5.7 9 13 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.944 113.0 49.0 -67.5 -44.4 22.2 29.3 -5.4 10 14 A A H X S+ 0 0 25 -4,-4.2 4,-2.4 1,-0.2 5,-0.2 0.930 111.8 47.5 -61.4 -45.5 23.7 25.8 -5.1 11 15 A L H X S+ 0 0 66 -4,-3.1 4,-2.7 -5,-0.3 5,-0.3 0.903 112.2 52.9 -57.2 -36.6 26.1 27.0 -2.4 12 16 A G H X S+ 0 0 0 -4,-1.5 4,-2.8 -5,-0.2 -2,-0.2 0.986 107.8 48.1 -68.4 -51.9 23.1 28.6 -0.7 13 17 A T H X S+ 0 0 18 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.939 113.6 48.9 -45.6 -55.5 21.0 25.5 -0.7 14 18 A A H X S+ 0 0 43 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.956 112.1 46.3 -56.4 -53.5 23.8 23.4 0.7 15 19 A L H X S+ 0 0 64 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.906 114.1 48.9 -62.5 -34.8 24.7 25.9 3.5 16 20 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.3 34,-0.2 0.973 112.9 46.6 -70.4 -46.2 21.0 26.3 4.4 17 21 A G H X S+ 0 0 15 -4,-3.1 4,-2.9 -5,-0.2 5,-0.3 0.969 112.8 49.4 -50.4 -57.6 20.3 22.6 4.5 18 22 A L H X S+ 0 0 98 -4,-2.5 4,-3.0 1,-0.3 -1,-0.2 0.918 111.6 47.8 -52.6 -50.5 23.4 21.8 6.6 19 23 A G H X S+ 0 0 7 -4,-1.9 4,-3.5 -5,-0.3 5,-0.3 0.875 111.1 51.7 -63.2 -34.4 22.7 24.4 9.2 20 24 A T H X S+ 0 0 14 -4,-2.2 4,-3.7 2,-0.2 -2,-0.2 0.993 110.8 47.6 -61.3 -57.4 19.1 23.3 9.5 21 25 A L H X S+ 0 0 112 -4,-2.9 4,-3.2 1,-0.2 -2,-0.2 0.883 114.2 50.0 -40.8 -49.9 20.4 19.7 10.0 22 26 A Y H X S+ 0 0 106 -4,-3.0 4,-2.3 -5,-0.3 -1,-0.2 0.933 113.3 41.5 -61.2 -52.7 22.8 21.2 12.5 23 27 A F H X S+ 0 0 7 -4,-3.5 4,-1.1 2,-0.2 -2,-0.2 0.855 114.1 55.3 -70.4 -26.8 20.3 23.2 14.5 24 28 A L H >X S+ 0 0 95 -4,-3.7 3,-1.2 -5,-0.3 4,-0.9 0.982 110.6 43.3 -64.7 -52.9 17.9 20.3 14.2 25 29 A V H >< S+ 0 0 99 -4,-3.2 3,-0.6 1,-0.3 -2,-0.2 0.891 114.8 51.7 -55.6 -39.4 20.4 17.9 15.8 26 30 A K H 3< S+ 0 0 88 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.653 97.9 67.2 -74.1 -17.7 21.3 20.6 18.3 27 31 A G H X< S+ 0 0 17 -3,-1.2 3,-1.8 -4,-1.1 -1,-0.2 0.814 76.5 101.9 -74.8 -28.4 17.7 21.1 19.4 28 32 A M T << S+ 0 0 148 -4,-0.9 3,-0.1 -3,-0.6 -3,-0.0 -0.205 77.1 33.0 -61.8 147.8 17.3 17.7 20.9 29 33 A G T 3 S+ 0 0 76 1,-0.3 2,-0.4 2,-0.0 -1,-0.2 -0.112 82.2 131.8 96.2 -33.7 17.4 17.6 24.7 30 34 A V < + 0 0 33 -3,-1.8 -1,-0.3 1,-0.2 -3,-0.0 -0.354 11.9 147.6 -56.8 109.7 15.8 21.0 24.9 31 35 A S + 0 0 92 -2,-0.4 -1,-0.2 -3,-0.1 5,-0.1 0.585 38.6 103.6-112.1 -28.7 13.0 20.6 27.5 32 36 A D S > S- 0 0 81 -3,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.410 71.5-140.2 -59.7 119.9 13.2 24.1 28.9 33 37 A P H > S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.912 98.5 46.0 -54.6 -54.2 10.2 25.8 27.3 34 38 A D H >> S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 3,-0.5 0.954 113.3 50.8 -52.3 -54.4 11.8 29.1 26.7 35 39 A A H 3> S+ 0 0 26 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.865 105.9 56.0 -53.3 -39.4 14.9 27.4 25.2 36 40 A K H 3X S+ 0 0 104 -4,-2.8 4,-3.3 1,-0.2 -1,-0.3 0.929 105.4 52.6 -60.7 -38.9 12.6 25.4 23.0 37 41 A K H S+ 0 0 0 0, 0.0 4,-3.8 0, 0.0 -1,-0.2 0.889 112.3 61.0 -72.2 -24.8 17.3 28.2 7.6 47 51 A A H X S+ 0 0 29 -4,-1.1 4,-2.5 2,-0.2 5,-0.3 0.991 109.6 41.2 -56.8 -55.7 14.8 25.5 6.9 48 52 A I H X S+ 0 0 31 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.955 115.3 50.4 -54.7 -50.5 12.6 28.0 5.1 49 53 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 -5,-0.3 5,-0.3 0.927 105.6 58.3 -60.7 -37.6 15.6 29.5 3.5 50 54 A F H X S+ 0 0 68 -4,-3.8 4,-2.5 -5,-0.2 5,-0.3 0.967 109.2 43.4 -55.1 -48.5 16.7 26.1 2.4 51 55 A T H X S+ 0 0 68 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.932 114.0 51.2 -67.9 -31.7 13.5 25.5 0.5 52 56 A M H X S+ 0 0 40 -4,-2.9 4,-2.4 -5,-0.3 5,-0.3 0.960 110.5 47.9 -69.1 -39.9 13.6 29.0 -0.9 53 57 A Y H X S+ 0 0 0 -4,-3.3 4,-3.5 -5,-0.3 5,-0.3 0.971 109.7 53.1 -65.1 -43.3 17.1 28.6 -2.2 54 58 A L H X S+ 0 0 60 -4,-2.5 4,-3.2 -5,-0.3 -1,-0.2 0.895 107.5 52.1 -54.7 -37.2 16.3 25.3 -3.7 55 59 A S H <>S+ 0 0 20 -4,-1.9 5,-2.9 -5,-0.3 6,-0.8 0.955 112.4 44.0 -71.1 -37.8 13.4 26.8 -5.6 56 60 A M H ><5S+ 0 0 0 -4,-2.4 3,-1.2 3,-0.2 -2,-0.2 0.934 113.8 51.5 -68.7 -38.6 15.5 29.5 -7.0 57 61 A L H 3<5S+ 0 0 36 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.966 108.7 51.0 -55.8 -48.2 18.2 27.0 -7.8 58 62 A L T 3<5S- 0 0 121 -4,-3.2 -1,-0.3 -5,-0.3 -2,-0.2 0.570 118.6-117.4 -70.4 -3.4 15.6 24.9 -9.5 59 63 A G T < 5S+ 0 0 22 -3,-1.2 -3,-0.2 -4,-0.4 3,-0.2 0.734 87.6 107.3 77.9 28.0 14.6 28.1 -11.5 60 64 A Y S +B 70 0B 12 3,-4.0 3,-0.9 -2,-0.3 59,-0.1 -0.924 52.4 33.2-175.1 151.6 12.0 47.3 -17.3 68 72 A G T 3 S- 0 0 57 57,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.802 132.3 -58.7 65.3 34.2 14.6 49.7 -18.7 69 73 A G T 3 S+ 0 0 94 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.569 120.8 115.0 72.6 7.4 13.8 48.3 -22.2 70 74 A E E < S-B 67 0B 121 -3,-0.9 -3,-4.0 -5,-0.1 2,-0.8 -0.865 70.3-137.1-120.9 147.4 14.9 45.0 -20.7 71 75 A Q E -B 66 0B 133 -2,-0.3 -6,-0.2 -5,-0.3 -7,-0.0 -0.911 41.0-168.0 -92.3 104.0 13.5 41.6 -19.8 72 76 A N - 0 0 18 -7,-1.3 2,-0.4 -2,-0.8 -7,-0.1 -0.849 21.6-127.0-108.6 131.5 15.1 41.1 -16.4 73 77 A P - 0 0 57 0, 0.0 2,-0.5 0, 0.0 -9,-0.3 -0.594 28.1-173.5 -72.5 126.1 15.3 38.0 -14.2 74 78 A I B -A 63 0A 1 -11,-4.4 2,-2.2 -2,-0.4 -11,-1.4 -0.958 22.2-142.4-126.2 118.3 14.0 38.6 -10.7 75 79 A Y >> + 0 0 0 -2,-0.5 3,-1.9 -13,-0.2 4,-0.6 -0.463 23.6 175.7 -78.0 81.6 14.3 36.0 -7.9 76 80 A W H 3> S+ 0 0 82 -2,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.748 70.9 73.3 -59.7 -16.2 10.9 36.6 -6.3 77 81 A A H 3> S+ 0 0 0 -16,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.819 84.3 67.7 -72.7 -18.3 11.7 33.6 -3.9 78 82 A R H <> S+ 0 0 1 -3,-1.9 4,-2.3 -17,-0.4 -1,-0.2 0.975 104.8 41.4 -56.4 -50.9 14.2 35.8 -2.1 79 83 A Y H X S+ 0 0 6 -4,-0.6 4,-3.1 2,-0.2 5,-0.2 0.887 109.8 58.6 -63.1 -38.3 11.3 38.0 -0.9 80 84 A A H X S+ 0 0 18 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.889 109.8 45.4 -58.4 -36.7 9.3 34.9 -0.2 81 85 A D H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 3,-0.4 0.901 112.9 47.9 -73.9 -41.4 12.0 33.8 2.1 82 86 A W H X S+ 0 0 20 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.859 100.9 67.3 -68.8 -34.4 12.5 37.2 3.8 83 87 A L H < S+ 0 0 76 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.879 116.0 25.7 -51.2 -37.2 8.7 37.5 4.3 84 88 A F H X S+ 0 0 119 -4,-0.8 4,-0.8 -3,-0.4 -2,-0.2 0.834 122.2 48.4-102.7 -29.7 8.9 34.6 6.8 85 89 A T H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 3,-0.2 0.926 103.1 59.5 -80.5 -37.0 12.4 34.5 8.2 86 90 A T H X S+ 0 0 15 -4,-1.8 4,-2.2 -5,-0.3 5,-0.2 0.919 105.1 47.0 -62.4 -42.0 12.8 38.2 9.1 87 91 A P H > S+ 0 0 27 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.883 112.0 52.6 -67.0 -27.0 9.9 38.4 11.5 88 92 A L H X S+ 0 0 37 -4,-0.8 4,-2.1 -3,-0.2 -2,-0.2 0.962 106.7 52.6 -69.4 -44.2 11.1 35.2 13.2 89 93 A L H X S+ 0 0 10 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.938 109.7 48.8 -46.6 -55.7 14.5 36.7 13.6 90 94 A L H X S+ 0 0 4 -4,-2.2 4,-3.0 1,-0.3 -1,-0.2 0.860 103.4 60.8 -59.4 -38.6 12.9 39.7 15.3 91 95 A L H X S+ 0 0 59 -4,-2.2 4,-1.2 2,-0.2 -1,-0.3 0.940 108.8 44.5 -49.3 -47.3 11.0 37.2 17.5 92 96 A N H >X S+ 0 0 19 -4,-2.1 4,-1.7 1,-0.2 3,-0.8 0.958 112.6 49.1 -64.2 -49.5 14.4 36.1 18.6 93 97 A L H 3X S+ 0 0 25 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.873 106.9 59.1 -57.8 -32.7 15.7 39.6 19.0 94 98 A A H 3<>S+ 0 0 5 -4,-3.0 5,-2.6 1,-0.2 -1,-0.2 0.810 103.0 51.0 -67.3 -30.9 12.6 40.4 21.0 95 99 A L H <<5S+ 0 0 42 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.851 107.9 53.8 -74.8 -36.5 13.4 37.7 23.6 96 100 A L H <5S+ 0 0 103 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.999 121.6 27.4 -57.1 -67.0 16.9 39.0 24.1 97 101 A V T <5S- 0 0 114 -4,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.403 110.7-127.3 -76.5 5.1 15.8 42.6 24.9 98 102 A D T 5 - 0 0 132 -5,-0.2 2,-0.3 -3,-0.2 -3,-0.2 0.929 35.1-163.9 35.7 80.7 12.6 41.1 26.2 99 103 A A < - 0 0 20 -5,-2.6 -1,-0.2 1,-0.1 -5,-0.0 -0.668 15.9-115.2 -91.7 138.4 10.3 43.3 24.1 100 104 A D > - 0 0 112 -2,-0.3 4,-3.6 1,-0.1 5,-0.1 -0.144 29.2-108.3 -65.1 166.9 6.5 43.7 24.8 101 105 A Q H > S+ 0 0 155 2,-0.2 4,-4.6 3,-0.2 5,-0.3 0.903 122.0 60.3 -63.8 -37.1 4.0 42.5 22.3 102 106 A G H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.980 111.5 37.3 -46.8 -66.6 3.4 46.2 21.6 103 107 A T H > S+ 0 0 43 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.942 117.4 55.3 -52.4 -46.9 7.0 46.6 20.5 104 108 A I H X S+ 0 0 38 -4,-3.6 4,-4.0 1,-0.2 5,-0.4 0.954 106.3 47.4 -56.6 -50.2 6.8 43.2 18.9 105 109 A L H X S+ 0 0 110 -4,-4.6 4,-3.8 2,-0.2 5,-0.3 0.934 114.4 46.1 -64.8 -38.5 3.8 43.8 16.7 106 110 A A H X S+ 0 0 35 -4,-2.1 4,-4.5 -5,-0.3 5,-0.4 0.973 115.0 48.3 -66.6 -44.0 5.1 47.1 15.4 107 111 A L H X S+ 0 0 10 -4,-2.9 4,-1.9 -5,-0.3 -2,-0.2 0.967 119.0 38.8 -53.0 -55.3 8.5 45.5 14.8 108 112 A V H X S+ 0 0 46 -4,-4.0 4,-1.5 -5,-0.2 -2,-0.2 0.896 118.4 50.4 -67.3 -34.9 6.9 42.6 13.0 109 113 A G H X S+ 0 0 32 -4,-3.8 4,-1.5 -5,-0.4 3,-0.3 0.948 110.0 47.8 -66.0 -46.3 4.4 44.9 11.3 110 114 A A H X S+ 0 0 13 -4,-4.5 4,-2.0 -5,-0.3 -1,-0.2 0.911 108.5 59.5 -58.2 -36.0 7.0 47.3 10.1 111 115 A D H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.4 5,-0.3 0.877 101.7 51.3 -62.4 -36.7 8.9 44.2 8.9 112 116 A G H X S+ 0 0 29 -4,-1.5 4,-2.7 -3,-0.3 5,-0.3 0.906 108.4 48.6 -74.8 -36.2 6.1 43.0 6.6 113 117 A I H X S+ 0 0 101 -4,-1.5 4,-4.5 3,-0.2 5,-0.4 0.944 108.4 60.8 -64.1 -39.2 5.6 46.3 4.7 114 118 A M H X S+ 0 0 19 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.963 115.1 28.4 -46.1 -65.3 9.4 46.3 4.4 115 119 A I H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.915 119.5 57.8 -73.3 -34.3 9.7 43.1 2.4 116 120 A G H X S+ 0 0 30 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.964 110.6 43.6 -55.7 -48.6 6.2 43.5 0.9 117 121 A T H X S+ 0 0 10 -4,-4.5 4,-3.4 -5,-0.3 5,-0.2 0.915 111.5 52.7 -68.0 -35.6 7.3 46.9 -0.5 118 122 A G H X S+ 0 0 8 -4,-2.3 4,-4.3 -5,-0.4 -1,-0.2 0.937 107.6 52.4 -67.1 -34.0 10.6 45.6 -1.8 119 123 A L H X S+ 0 0 53 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.950 109.4 49.6 -64.0 -37.6 8.9 42.8 -3.6 120 124 A V H X S+ 0 0 54 -4,-2.1 4,-1.2 -5,-0.3 3,-0.4 0.970 112.1 46.9 -62.6 -46.9 6.7 45.4 -5.2 121 125 A G H >< S+ 0 0 0 -4,-3.4 3,-0.9 1,-0.2 -2,-0.2 0.951 109.9 56.3 -53.9 -45.0 9.8 47.4 -6.1 122 126 A A H 3< S+ 0 0 0 -4,-4.3 -1,-0.2 1,-0.2 -2,-0.2 0.837 114.9 36.9 -51.8 -37.3 11.2 44.0 -7.3 123 127 A L H 3< S+ 0 0 51 -4,-2.0 2,-0.3 -3,-0.4 -1,-0.2 0.435 84.2 114.5-104.5 -1.6 8.2 43.5 -9.7 124 128 A T << - 0 0 26 -4,-1.2 6,-0.1 -3,-0.9 -4,-0.0 -0.524 49.6-156.7 -75.2 137.7 7.4 47.0 -11.0 125 129 A K S S+ 0 0 120 -2,-0.3 2,-0.9 1,-0.1 -57,-0.3 0.493 76.7 82.9 -89.4 -5.5 7.9 47.4 -14.8 126 130 A V S >> S- 0 0 63 1,-0.2 3,-2.2 -59,-0.1 4,-0.8 -0.859 72.3-155.3-101.9 93.5 8.3 51.2 -14.5 127 131 A Y H >> S+ 0 0 72 -2,-0.9 3,-0.8 1,-0.3 4,-0.7 0.761 86.9 60.5 -39.7 -47.0 11.9 51.5 -13.5 128 132 A S H >> S+ 0 0 83 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.858 103.1 50.4 -52.9 -40.7 11.4 54.9 -11.9 129 133 A Y H <> S+ 0 0 129 -3,-2.2 4,-2.4 1,-0.2 3,-0.4 0.775 90.4 78.6 -74.5 -26.2 8.9 53.6 -9.4 130 134 A R H 0 0 159 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -17.7 25.3 46.1 16.5 152 177 A V H > + 0 0 114 2,-0.2 4,-2.6 3,-0.1 5,-0.3 0.756 360.0 62.0 -89.3 -23.4 25.5 43.4 13.8 153 178 A T H > S+ 0 0 11 2,-0.2 4,-4.6 3,-0.2 5,-0.4 0.981 103.8 53.4 -63.6 -47.5 21.9 43.2 12.9 154 179 A V H > S+ 0 0 42 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.932 113.7 39.2 -46.2 -60.4 22.1 46.9 11.8 155 180 A V H X S+ 0 0 103 -4,-1.1 4,-0.9 2,-0.2 -1,-0.2 0.906 120.1 47.2 -62.9 -37.7 25.1 46.3 9.5 156 181 A L H >X S+ 0 0 26 -4,-2.6 4,-0.8 1,-0.2 3,-0.6 0.970 116.8 41.1 -68.7 -50.7 23.7 43.0 8.3 157 182 A W H >< S+ 0 0 14 -4,-4.6 3,-1.3 -5,-0.3 -2,-0.2 0.935 110.7 57.3 -64.8 -38.8 20.2 44.2 7.6 158 183 A S H 3X S+ 0 0 36 -4,-3.1 4,-1.2 -5,-0.4 -1,-0.2 0.768 96.6 66.2 -66.6 -18.7 21.3 47.5 6.1 159 184 A A H S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.853 112.7 52.4 -60.9 -30.2 19.1 47.6 0.6 162 187 A V H X S+ 0 0 81 -4,-1.2 4,-2.9 2,-0.2 5,-0.5 0.969 110.6 44.1 -68.3 -50.0 22.6 48.4 -0.6 163 188 A V H X S+ 0 0 11 -4,-2.8 4,-2.2 1,-0.2 7,-0.2 0.907 113.6 53.6 -63.2 -33.4 23.0 45.3 -2.7 164 189 A W H < S+ 0 0 12 -4,-2.5 6,-0.4 -5,-0.3 5,-0.4 0.974 109.6 48.4 -60.1 -48.4 19.5 45.8 -3.9 165 190 A L H < S+ 0 0 55 -4,-2.3 6,-3.3 1,-0.2 7,-0.7 0.975 122.6 30.3 -61.9 -53.9 20.3 49.3 -5.0 166 191 A I H < S+ 0 0 54 -4,-2.9 7,-2.7 4,-0.2 8,-1.9 0.790 108.8 101.7 -77.8 -15.2 23.6 48.5 -6.8 167 192 A G S ><>S- 0 0 0 -4,-2.2 5,-2.2 -5,-0.5 3,-1.2 0.035 95.3-101.0 -52.6 167.7 22.0 45.2 -7.6 168 193 A S T 3 5S+ 0 0 19 1,-0.3 -1,-0.1 4,-0.2 8,-0.1 0.349 124.3 60.4 -78.0 2.2 20.4 44.3 -11.0 169 194 A E T 3 5S+ 0 0 1 -5,-0.4 -1,-0.3 7,-0.0 -4,-0.1 0.525 118.2 27.4 -98.7 -10.3 17.0 44.9 -9.4 170 195 A G T < 5S- 0 0 0 -3,-1.2 -5,-0.2 -6,-0.4 -4,-0.2 0.257 134.3 -16.2-115.5-121.8 18.2 48.5 -8.7 171 196 A A T 5S- 0 0 47 -6,-3.3 -5,-0.2 -7,-0.2 -3,-0.2 0.817 82.3-127.7 -63.4 -25.6 20.6 50.8 -10.4 172 197 A G < + 0 0 44 -5,-2.2 -4,-0.2 -7,-0.7 -5,-0.2 0.921 60.5 142.1 79.8 47.5 22.1 47.8 -12.2 173 198 A I + 0 0 117 -7,-2.7 -6,-0.2 -6,-0.4 -7,-0.1 0.790 66.0 35.8 -94.4 -26.4 25.7 48.5 -11.1 174 199 A V S S- 0 0 32 -8,-1.9 -1,-0.2 -11,-0.2 -6,-0.1 -0.971 95.8-105.3-123.8 138.5 26.8 44.9 -10.5 175 200 A P >> - 0 0 95 0, 0.0 4,-2.0 0, 0.0 3,-1.8 -0.179 31.8-107.2 -66.0 162.7 25.5 42.0 -12.7 176 201 A L H 3> S+ 0 0 33 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.882 115.9 67.7 -53.9 -44.3 22.9 39.6 -11.3 177 202 A N H 3> S+ 0 0 51 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.753 110.3 35.6 -48.9 -28.3 25.5 36.9 -11.0 178 203 A I H <> S+ 0 0 62 -3,-1.8 4,-3.0 2,-0.2 5,-0.3 0.714 110.4 59.2-100.2 -32.1 27.2 38.9 -8.2 179 204 A E H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.939 107.8 49.5 -58.9 -39.5 24.1 40.4 -6.7 180 205 A T H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.922 109.1 53.1 -62.0 -46.2 23.0 36.8 -6.1 181 206 A L H X S+ 0 0 39 -4,-0.6 4,-2.4 -5,-0.3 5,-0.3 0.956 109.6 46.9 -50.5 -58.1 26.4 36.0 -4.6 182 207 A L H X S+ 0 0 51 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.883 111.8 50.2 -62.9 -37.0 26.2 38.9 -2.1 183 208 A F H X S+ 0 0 1 -4,-2.3 4,-4.5 -5,-0.3 5,-0.2 0.967 109.0 52.3 -65.1 -43.1 22.6 38.1 -1.0 184 209 A M H X S+ 0 0 8 -4,-2.9 4,-3.8 2,-0.2 5,-0.3 0.954 111.0 46.0 -52.9 -53.1 23.6 34.4 -0.4 185 210 A V H X S+ 0 0 78 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.912 116.1 48.6 -54.8 -41.4 26.5 35.5 1.8 186 211 A L H X S+ 0 0 25 -4,-2.3 4,-2.0 -5,-0.3 5,-0.3 0.971 113.4 45.1 -64.3 -49.0 24.1 37.9 3.4 187 212 A D H X S+ 0 0 0 -4,-4.5 4,-4.2 1,-0.2 5,-0.4 0.943 111.3 51.9 -64.5 -44.9 21.4 35.2 3.9 188 213 A V H X>S+ 0 0 23 -4,-3.8 4,-3.0 -5,-0.2 5,-1.7 0.951 110.6 47.3 -60.5 -42.5 23.7 32.5 5.2 189 214 A S H <>S+ 0 0 49 -4,-1.9 5,-3.8 -5,-0.3 6,-0.2 0.915 119.7 40.2 -65.8 -34.0 25.2 34.8 7.9 190 215 A A H <5S+ 0 0 5 -4,-2.0 5,-0.4 -5,-0.2 -2,-0.2 0.922 123.1 39.2 -76.5 -44.1 21.8 35.9 9.0 191 216 A K H <5S+ 0 0 5 -4,-4.2 -3,-0.2 -5,-0.3 -2,-0.2 0.968 137.5 10.4 -73.6 -44.3 20.1 32.6 8.7 192 217 A V T X5S+ 0 0 17 -4,-3.0 4,-3.6 -5,-0.4 -3,-0.2 0.893 128.8 44.4-102.2 -55.2 22.9 30.4 10.0 193 218 A G H >