==== 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 2I20 . 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) . 10399.0 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 . 5 2.3 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 1 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 1 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 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 0 113 0, 0.0 5,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0-161.3 23.5 26.0 -15.9 2 6 A G + 0 0 75 4,-0.1 3,-0.1 3,-0.1 0, 0.0 0.763 360.0 92.8 -71.2 -29.4 23.5 29.0 -18.2 3 7 A R > - 0 0 56 1,-0.2 3,-3.2 2,-0.1 4,-0.2 -0.605 68.5-156.3 -73.2 105.1 22.6 31.3 -15.2 4 8 A P T > S+ 0 0 82 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.787 91.4 61.5 -54.5 -32.3 26.1 32.3 -14.1 5 9 A E T >> S+ 0 0 8 1,-0.2 4,-1.7 2,-0.1 3,-0.6 0.445 75.0 98.5 -74.5 3.1 24.7 33.0 -10.7 6 10 A W H <> S+ 0 0 105 -3,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.911 75.6 58.7 -59.0 -41.2 23.7 29.3 -10.4 7 11 A I H <> S+ 0 0 68 -3,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.812 105.3 49.2 -54.3 -37.7 26.9 28.5 -8.3 8 12 A W H <> S+ 0 0 71 -3,-0.6 4,-2.7 -4,-0.2 -1,-0.2 0.887 111.3 48.1 -73.4 -40.7 25.9 31.1 -5.6 9 13 A L H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 48,-0.2 0.825 113.4 49.3 -68.8 -27.3 22.4 29.7 -5.3 10 14 A A H X S+ 0 0 26 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.883 113.1 45.4 -80.3 -38.9 23.8 26.2 -5.1 11 15 A L H X S+ 0 0 65 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.920 114.1 49.3 -61.5 -49.7 26.3 27.2 -2.4 12 16 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.877 108.5 54.0 -63.0 -35.8 23.6 29.1 -0.6 13 17 A T H X S+ 0 0 18 -4,-1.5 4,-2.2 40,-0.2 -1,-0.2 0.954 111.8 44.7 -59.9 -52.2 21.3 26.1 -0.8 14 18 A A H X S+ 0 0 43 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.929 113.0 49.1 -58.5 -50.5 24.0 23.8 0.7 15 19 A L H X S+ 0 0 62 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.921 113.4 46.4 -64.3 -37.3 24.9 26.2 3.5 16 20 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 34,-0.2 0.898 114.3 48.5 -68.7 -35.9 21.3 26.8 4.6 17 21 A G H X S+ 0 0 14 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.940 112.6 46.8 -67.0 -46.7 20.6 23.1 4.5 18 22 A L H X S+ 0 0 105 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.814 111.6 53.1 -61.3 -35.9 23.7 22.2 6.5 19 23 A G H X S+ 0 0 5 -4,-1.9 4,-3.1 -5,-0.3 5,-0.3 0.882 106.4 52.1 -70.4 -39.3 22.8 25.0 9.0 20 24 A T H X S+ 0 0 18 -4,-2.2 4,-2.8 26,-0.2 -2,-0.2 0.971 110.9 46.8 -62.9 -48.5 19.3 23.6 9.4 21 25 A L H X S+ 0 0 108 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.904 112.1 52.4 -60.0 -38.0 20.6 20.2 10.2 22 26 A Y H X S+ 0 0 97 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.971 113.0 41.6 -63.1 -48.9 23.1 21.7 12.6 23 27 A F H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.897 113.3 55.8 -68.5 -30.4 20.6 23.7 14.5 24 28 A L H < S+ 0 0 97 -4,-2.8 4,-0.3 -5,-0.3 -1,-0.2 0.936 112.4 41.1 -61.1 -50.9 18.2 20.7 14.4 25 29 A V H >< S+ 0 0 92 -4,-2.8 3,-2.3 -5,-0.2 -2,-0.2 0.974 116.0 48.8 -60.5 -54.7 20.8 18.4 16.0 26 30 A K H 3< S+ 0 0 58 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.875 105.7 60.9 -54.8 -35.5 22.0 21.0 18.5 27 31 A G T >< S+ 0 0 22 -4,-2.4 3,-1.1 -5,-0.3 2,-0.3 0.586 77.9 111.3 -71.8 -7.1 18.4 21.7 19.4 28 32 A M T < S+ 0 0 149 -3,-2.3 3,-0.1 -4,-0.3 -3,-0.0 -0.552 80.2 19.8 -69.3 129.9 17.9 18.1 20.6 29 33 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.2 -2,-0.3 2,-0.1 0.076 78.9 140.7 104.6 -21.7 17.4 17.9 24.3 30 34 A V < + 0 0 28 -3,-1.1 -1,-0.3 1,-0.2 -3,-0.0 -0.305 13.0 163.3 -59.4 124.9 16.3 21.5 25.1 31 35 A S + 0 0 90 -2,-0.1 -1,-0.2 -3,-0.1 5,-0.0 0.679 36.7 111.1-111.1 -25.3 13.6 21.4 27.7 32 36 A D > - 0 0 43 1,-0.1 4,-3.2 2,-0.1 5,-0.2 -0.394 65.0-141.3 -58.1 109.3 13.7 25.0 28.9 33 37 A P H > S+ 0 0 84 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.816 101.0 40.6 -28.2 -59.5 10.5 26.7 27.7 34 38 A D H >> S+ 0 0 70 2,-0.2 4,-1.5 1,-0.2 3,-0.5 0.929 113.2 50.9 -67.3 -50.0 12.3 29.9 26.9 35 39 A A H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.883 104.3 64.3 -55.6 -36.8 15.4 28.3 25.4 36 40 A K H 3X S+ 0 0 109 -4,-3.2 4,-3.0 2,-0.2 -1,-0.2 0.893 98.1 51.6 -51.0 -49.1 12.9 26.4 23.3 37 41 A K H S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.833 113.3 59.8 -66.6 -22.8 17.6 28.6 7.8 47 51 A A H X S+ 0 0 29 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.949 108.3 42.7 -69.3 -46.6 15.0 25.9 7.1 48 52 A I H X S+ 0 0 36 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.956 114.2 50.6 -59.9 -51.1 12.8 28.5 5.3 49 53 A A H X S+ 0 0 0 -4,-2.5 4,-3.7 -5,-0.3 5,-0.3 0.889 105.6 59.2 -58.1 -34.8 15.8 30.0 3.5 50 54 A F H X S+ 0 0 73 -4,-2.2 4,-2.9 -5,-0.3 5,-0.3 0.965 106.5 44.7 -56.4 -51.3 16.8 26.5 2.4 51 55 A T H X S+ 0 0 69 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.891 116.6 47.7 -64.8 -31.6 13.6 26.0 0.6 52 56 A M H X S+ 0 0 36 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.911 110.4 49.8 -77.8 -35.1 13.8 29.4 -1.0 53 57 A Y H X S+ 0 0 1 -4,-3.7 4,-2.6 -5,-0.2 -40,-0.2 0.957 112.3 48.7 -67.0 -40.5 17.4 29.1 -2.0 54 58 A L H X S+ 0 0 57 -4,-2.9 4,-2.3 -5,-0.3 6,-0.2 0.883 107.7 54.6 -65.5 -32.5 16.6 25.8 -3.6 55 59 A S H X>S+ 0 0 15 -4,-1.7 6,-1.6 -5,-0.3 5,-1.1 0.896 110.7 45.5 -69.9 -31.6 13.6 27.2 -5.4 56 60 A M H <5S+ 0 0 1 -4,-2.0 3,-0.5 4,-0.2 -1,-0.2 0.918 111.5 54.9 -69.0 -38.3 15.8 29.9 -6.9 57 61 A L H <5S+ 0 0 39 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.850 110.3 43.1 -59.8 -40.9 18.3 27.2 -7.7 58 62 A L H <5S- 0 0 132 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.571 117.0-112.8 -85.6 -8.4 15.8 25.1 -9.7 59 63 A G T ><5S+ 0 0 28 -4,-0.8 3,-0.7 -3,-0.5 -3,-0.2 0.375 89.6 110.4 95.4 -2.1 14.4 28.3 -11.4 60 64 A Y T 3 +A 70 0A 10 3,-2.0 3,-1.3 -2,-0.6 59,-0.1 -0.955 63.7 23.8-153.6 152.4 12.1 47.5 -17.3 68 72 A G T 3 S- 0 0 56 57,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.782 132.4 -68.0 55.7 29.8 14.5 49.7 -19.1 69 73 A G T 3 S+ 0 0 83 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.807 115.2 100.3 62.7 31.3 13.2 47.9 -22.2 70 74 A E E < S-A 67 0A 126 -3,-1.3 -3,-2.0 -5,-0.1 2,-0.8 -0.983 80.7-107.3-142.5 153.6 14.8 44.6 -21.2 71 75 A Q E -A 66 0A 134 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.755 40.8-161.4 -85.4 113.0 13.6 41.4 -19.6 72 76 A N E -A 65 0A 24 -7,-2.8 -7,-3.4 -2,-0.8 2,-0.2 -0.834 15.0-128.6-104.7 118.1 15.0 41.5 -16.1 73 77 A P E -A 64 0A 41 0, 0.0 2,-0.5 0, 0.0 -9,-0.3 -0.439 27.4-169.9 -61.8 126.0 15.3 38.3 -14.0 74 78 A I E -A 63 0A 0 -11,-4.3 -11,-2.8 -2,-0.2 2,-1.7 -0.952 18.5-150.5-127.3 115.5 13.8 38.8 -10.6 75 79 A Y > + 0 0 0 -2,-0.5 3,-1.8 -13,-0.2 4,-0.5 -0.565 21.0 172.6 -77.2 84.5 14.2 36.3 -7.8 76 80 A W T >> + 0 0 75 -2,-1.7 4,-1.8 1,-0.3 3,-1.3 0.807 69.3 77.6 -66.7 -19.6 11.0 36.9 -6.0 77 81 A A H 3> S+ 0 0 0 -16,-1.7 4,-1.5 1,-0.3 -1,-0.3 0.740 83.1 64.1 -62.1 -20.6 11.9 33.9 -3.8 78 82 A R H <> S+ 0 0 1 -3,-1.8 4,-2.2 -17,-0.3 -1,-0.3 0.890 106.0 43.9 -67.8 -33.6 14.3 36.1 -1.9 79 83 A Y H <> S+ 0 0 3 -3,-1.3 4,-2.3 -4,-0.5 -2,-0.2 0.868 108.3 54.9 -77.8 -42.1 11.3 38.2 -0.7 80 84 A A H X S+ 0 0 23 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.850 113.1 46.9 -55.8 -37.7 9.1 35.2 0.1 81 85 A D H >X S+ 0 0 0 -4,-1.5 4,-2.6 -5,-0.2 3,-0.8 0.949 113.5 44.8 -67.1 -56.3 12.0 34.1 2.3 82 86 A W H 3X S+ 0 0 20 -4,-2.2 4,-1.6 1,-0.3 -2,-0.2 0.743 103.8 66.9 -63.5 -25.5 12.7 37.5 3.9 83 87 A L H 3< S+ 0 0 72 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.894 115.0 27.1 -64.4 -35.6 8.9 37.8 4.5 84 88 A F H S+ 0 0 26 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.878 112.5 52.4 -65.5 -30.4 9.9 38.8 11.6 88 92 A L H X S+ 0 0 39 -4,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.903 108.7 49.6 -68.6 -38.6 11.2 35.6 13.2 89 93 A L H X S+ 0 0 10 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.929 112.0 49.2 -60.0 -44.8 14.6 37.3 13.6 90 94 A L H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.861 106.2 56.7 -63.7 -38.2 12.8 40.3 15.2 91 95 A L H X S+ 0 0 57 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.879 103.4 54.1 -60.1 -39.8 10.9 38.0 17.5 92 96 A A H X S+ 0 0 2 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.870 109.0 47.3 -70.0 -35.8 14.1 36.6 18.9 93 97 A L H X S+ 0 0 2 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.913 113.1 49.1 -66.9 -43.1 15.4 40.1 19.7 94 98 A A H <>S+ 0 0 4 -4,-2.2 5,-4.0 2,-0.2 -2,-0.2 0.839 111.5 48.3 -67.5 -34.1 12.1 41.1 21.4 95 99 A L H ><5S+ 0 0 54 -4,-2.2 3,-1.1 3,-0.2 -1,-0.2 0.911 106.0 60.2 -68.6 -41.9 11.9 37.9 23.5 96 100 A L H 3<5S+ 0 0 10 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.932 117.7 28.5 -46.2 -56.6 15.5 38.5 24.5 97 101 A V T 3<5S- 0 0 22 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.265 109.9-118.9 -95.6 13.6 14.7 41.8 26.1 98 102 A D T < 5 - 0 0 136 -3,-1.1 -3,-0.2 1,-0.1 -4,-0.1 0.925 42.9-164.6 53.8 47.5 11.1 40.8 26.9 99 103 A A < - 0 0 16 -5,-4.0 -1,-0.1 -6,-0.1 2,-0.1 -0.207 23.7 -96.6 -65.3 159.2 9.7 43.6 24.7 100 104 A D > - 0 0 123 1,-0.1 4,-2.4 4,-0.0 3,-0.4 -0.387 29.3-118.0 -72.2 153.8 6.0 44.6 25.1 101 105 A Q H > S+ 0 0 168 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.957 113.8 56.9 -56.7 -53.5 3.5 43.1 22.7 102 106 A G H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.807 109.0 47.2 -43.9 -42.8 2.6 46.5 21.3 103 107 A T H > S+ 0 0 49 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.951 110.4 51.7 -68.3 -49.4 6.2 47.0 20.4 104 108 A I H X S+ 0 0 42 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.896 110.8 48.8 -48.6 -46.1 6.5 43.5 18.9 105 109 A L H X S+ 0 0 127 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.900 107.7 54.9 -67.7 -39.1 3.4 44.2 16.7 106 110 A A H X S+ 0 0 34 -4,-1.9 4,-3.0 -5,-0.3 -2,-0.2 0.964 112.8 42.9 -51.2 -54.4 4.9 47.5 15.6 107 111 A L H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.908 113.8 47.7 -63.1 -51.1 8.1 45.8 14.4 108 112 A V H X S+ 0 0 55 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.923 117.1 44.3 -58.2 -45.9 6.5 42.8 12.7 109 113 A G H X S+ 0 0 37 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.952 113.9 50.2 -65.1 -44.5 4.0 45.1 10.9 110 114 A A H X S+ 0 0 11 -4,-3.0 4,-1.9 -5,-0.3 -2,-0.2 0.882 111.2 51.0 -50.8 -45.1 6.8 47.5 10.1 111 115 A D H X S+ 0 0 1 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.864 107.2 50.4 -69.1 -43.7 8.8 44.5 8.8 112 116 A G H X S+ 0 0 30 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.879 109.1 51.8 -65.5 -33.5 6.1 43.2 6.5 113 117 A I H X S+ 0 0 99 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.956 110.0 52.8 -65.0 -40.3 5.6 46.6 5.1 114 118 A M H X S+ 0 0 17 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.970 116.4 34.5 -54.6 -61.0 9.4 46.6 4.5 115 119 A I H X S+ 0 0 9 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.947 116.1 57.9 -64.9 -42.0 9.5 43.3 2.6 116 120 A G H X S+ 0 0 30 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.898 108.5 43.3 -52.2 -47.2 6.2 43.9 0.9 117 121 A T H X S+ 0 0 18 -4,-2.6 4,-3.2 -5,-0.2 -1,-0.2 0.807 110.6 55.1 -77.4 -26.8 7.2 47.2 -0.7 118 122 A G H X S+ 0 0 9 -4,-1.6 4,-2.9 -5,-0.3 -1,-0.2 0.909 108.2 50.4 -66.9 -40.6 10.6 45.9 -1.8 119 123 A L H X S+ 0 0 53 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.948 112.0 47.5 -61.8 -41.7 8.8 43.1 -3.5 120 124 A V H X S+ 0 0 60 -4,-1.9 4,-0.9 -5,-0.3 3,-0.3 0.976 112.0 48.4 -65.9 -47.8 6.6 45.6 -5.2 121 125 A G H >< S+ 0 0 0 -4,-3.2 3,-0.8 1,-0.2 -1,-0.2 0.902 109.9 54.2 -54.0 -38.7 9.5 47.8 -6.2 122 126 A A H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.878 114.5 40.0 -65.4 -34.9 11.2 44.6 -7.6 123 127 A L H 3< S+ 0 0 68 -4,-2.0 2,-0.4 -3,-0.3 -1,-0.2 0.381 87.9 113.6 -94.9 0.7 8.2 43.8 -9.7 124 128 A T << - 0 0 25 -4,-0.9 6,-0.1 -3,-0.8 -59,-0.0 -0.603 50.1-160.9 -79.3 125.8 7.4 47.3 -10.8 125 129 A K S S+ 0 0 139 -2,-0.4 2,-1.1 1,-0.1 -57,-0.3 0.734 70.8 86.3 -83.8 -20.4 7.9 47.8 -14.6 126 130 A V S >> S- 0 0 82 1,-0.2 4,-1.2 -59,-0.1 3,-1.1 -0.735 75.9-147.7 -81.0 106.0 8.0 51.7 -14.5 127 131 A Y H >> S+ 0 0 96 -2,-1.1 4,-0.8 1,-0.3 3,-0.5 0.796 90.7 51.5 -40.1 -51.7 11.8 52.1 -13.8 128 132 A S H 3> S+ 0 0 84 1,-0.2 4,-0.8 2,-0.2 3,-0.4 0.838 105.4 53.9 -56.6 -44.6 11.4 55.3 -11.8 129 133 A Y H <> S+ 0 0 139 -3,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.716 93.6 73.3 -69.6 -25.4 8.7 54.0 -9.4 130 134 A R H > - 0 0 101 -2,-0.2 4,-2.2 1,-0.1 3,-0.7 -0.347 45.0-114.5 -59.2 149.8 20.0 40.5 33.6 157 165 A P H 3> S+ 0 0 103 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.875 115.8 61.3 -57.0 -34.7 23.5 41.8 32.5 158 166 A E H 3> S+ 0 0 90 2,-0.2 4,-2.3 1,-0.2 62,-0.2 0.859 107.3 42.6 -58.9 -39.1 23.8 38.6 30.3 159 167 A V H <> S+ 0 0 7 -3,-0.7 4,-3.0 2,-0.2 5,-0.2 0.958 113.8 51.3 -73.5 -46.2 20.8 39.6 28.3 160 168 A A H X S+ 0 0 22 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.919 114.2 45.3 -47.9 -52.8 21.8 43.2 28.1 161 169 A S H X S+ 0 0 68 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.924 114.8 45.4 -61.0 -51.4 25.3 42.1 26.9 162 170 A T H X S+ 0 0 19 -4,-2.3 4,-2.0 -5,-0.2 5,-0.2 0.854 113.0 50.6 -66.3 -32.7 24.0 39.5 24.4 163 171 A F H X S+ 0 0 5 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.906 103.6 59.0 -75.2 -34.9 21.4 41.9 23.0 164 172 A K H X S+ 0 0 110 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.910 109.0 46.6 -53.5 -45.0 24.0 44.6 22.5 165 173 A V H >X S+ 0 0 68 -4,-1.6 4,-2.2 2,-0.2 3,-0.6 0.975 114.1 43.0 -60.9 -58.8 25.9 42.3 20.2 166 174 A L H 3X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.3 5,-0.2 0.895 111.7 57.1 -61.3 -36.0 23.1 41.0 18.1 167 175 A R H 3X S+ 0 0 47 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.3 0.867 108.2 45.9 -61.1 -36.1 21.7 44.5 17.8 168 176 A N H X S+ 0 0 20 -4,-2.6 3,-1.1 2,-0.2 4,-0.9 0.975 117.5 43.3 -68.9 -59.7 23.7 43.3 8.2 174 182 A W H >< S+ 0 0 16 -4,-2.0 3,-0.7 -5,-0.3 -2,-0.2 0.877 110.5 57.3 -56.5 -42.7 20.2 44.6 7.5 175 183 A S H 3X S+ 0 0 40 -4,-2.1 4,-0.7 -5,-0.4 -1,-0.3 0.737 98.4 62.6 -56.5 -30.9 21.5 48.0 6.4 176 184 A A H S+ 0 0 19 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.776 112.1 55.3 -64.7 -21.3 19.0 48.1 0.6 179 187 A V H X S+ 0 0 83 -4,-0.7 4,-2.3 -3,-0.5 -2,-0.2 0.905 108.6 44.8 -75.6 -39.9 22.5 49.0 -0.6 180 188 A V H X S+ 0 0 10 -4,-2.0 4,-3.1 2,-0.2 7,-0.2 0.934 113.3 51.3 -66.3 -44.4 22.9 45.8 -2.6 181 189 A W H < S+ 0 0 13 -4,-2.4 6,-0.8 1,-0.2 5,-0.2 0.960 110.9 49.5 -54.0 -49.6 19.4 46.1 -4.1 182 190 A L H < S+ 0 0 58 -4,-1.7 6,-2.4 -5,-0.3 7,-0.3 0.933 118.9 35.6 -60.7 -44.5 20.2 49.6 -5.1 183 191 A I H < S+ 0 0 49 -4,-2.3 7,-2.6 4,-0.2 8,-2.1 0.811 108.7 81.4 -83.2 -22.1 23.5 48.8 -6.8 184 192 A G S ><>S- 0 0 0 -4,-3.1 5,-2.2 5,-0.2 3,-1.2 0.078 103.1 -82.3 -71.8-175.7 22.3 45.4 -8.2 185 193 A S T 3 5S+ 0 0 25 1,-0.3 -1,-0.1 4,-0.2 -4,-0.1 0.621 123.0 65.1 -68.1 -18.9 20.2 44.6 -11.3 186 194 A E T 3 5S+ 0 0 0 -5,-0.2 -1,-0.3 7,-0.0 -4,-0.1 0.778 117.3 19.5 -73.1 -26.6 16.9 45.4 -9.5 187 195 A G T < 5S- 0 0 3 -3,-1.2 -5,-0.2 -6,-0.8 -4,-0.2 0.519 135.7 -16.3-109.4-110.8 17.9 49.0 -9.1 188 196 A A T 5S- 0 0 46 -6,-2.4 -3,-0.2 -7,-0.2 -5,-0.1 0.598 77.2-129.3 -83.3 -10.8 20.5 51.0 -11.0 189 197 A G < + 0 0 49 -5,-2.2 -5,-0.2 -7,-0.3 -4,-0.2 0.953 60.9 139.7 62.8 51.1 22.3 48.0 -12.4 190 198 A I S S+ 0 0 127 -7,-2.6 -6,-0.2 -6,-0.3 -7,-0.1 0.704 71.1 42.6 -91.0 -26.5 25.8 49.1 -11.4 191 199 A V S S- 0 0 28 -8,-2.1 -1,-0.2 -11,-0.1 -2,-0.1 -0.974 94.7-114.5-120.6 130.3 26.6 45.5 -10.4 192 200 A P >> - 0 0 77 0, 0.0 4,-2.8 0, 0.0 3,-0.7 -0.176 30.2-103.3 -67.0 160.1 25.6 42.5 -12.6 193 201 A L H 3> S+ 0 0 29 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.798 118.2 55.9 -49.5 -38.3 23.1 39.8 -11.5 194 202 A N H 3> S+ 0 0 55 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.834 112.5 40.0 -75.3 -32.4 25.8 37.3 -10.7 195 203 A I H <> S+ 0 0 64 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.851 114.0 56.1 -78.0 -36.4 27.6 39.6 -8.3 196 204 A E H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.923 108.0 47.3 -53.7 -49.7 24.2 40.7 -7.0 197 205 A T H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.836 109.7 54.6 -64.3 -35.0 23.2 37.1 -6.2 198 206 A L H X S+ 0 0 44 -4,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.895 107.6 48.6 -64.3 -44.3 26.6 36.5 -4.5 199 207 A L H X S+ 0 0 59 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.887 111.5 48.0 -65.3 -44.8 26.2 39.5 -2.1 200 208 A F H X S+ 0 0 1 -4,-1.8 4,-3.3 2,-0.2 -1,-0.2 0.874 111.0 52.6 -65.7 -37.2 22.7 38.6 -1.0 201 209 A M H X S+ 0 0 4 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.925 109.0 49.2 -64.4 -44.6 23.8 35.0 -0.5 202 210 A V H X S+ 0 0 77 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.945 115.9 43.2 -63.1 -39.2 26.7 36.1 1.7 203 211 A L H X S+ 0 0 22 -4,-2.3 4,-3.7 2,-0.2 5,-0.4 0.956 112.4 52.4 -67.5 -46.2 24.3 38.3 3.7 204 212 A D H X S+ 0 0 0 -4,-3.3 4,-3.4 1,-0.2 5,-0.2 0.917 113.0 44.0 -56.1 -46.7 21.5 35.7 3.9 205 213 A V H <>S+ 0 0 29 -4,-2.6 5,-2.8 2,-0.2 4,-0.2 0.870 116.2 48.2 -68.4 -34.3 23.9 33.1 5.3 206 214 A S H <>S+ 0 0 48 -4,-1.8 5,-1.6 -5,-0.3 -2,-0.2 0.912 118.6 40.5 -66.0 -42.5 25.4 35.7 7.6 207 215 A A H <5S+ 0 0 2 -4,-3.7 -2,-0.2 3,-0.2 -3,-0.2 0.816 125.0 35.9 -79.3 -33.6 22.0 36.7 8.7 208 216 A K T X5S+ 0 0 7 -4,-3.4 4,-1.8 -5,-0.4 5,-0.2 0.880 134.9 12.2 -80.7 -83.5 20.5 33.3 8.9 209 217 A V H >5S+ 0 0 19 -4,-0.2 4,-2.2 -5,-0.2 5,-0.2 0.913 127.3 54.2 -63.8 -47.0 23.1 30.8 10.1 210 218 A G H >X S+ 0 0 62 -4,-1.6 3,-1.4 -5,-0.2 4,-0.6 0.969 113.0 48.1 -57.7 -60.3 25.8 33.8 17.8 215 223 A L H >< S+ 0 0 1 -4,-2.7 3,-1.3 1,-0.3 6,-0.2 0.892 108.3 50.7 -56.9 -41.8 22.5 33.7 19.6 216 224 A L T 3< S+ 0 0 8 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.607 100.1 67.0 -81.2 -1.6 22.5 30.1 20.7 217 225 A R T <4 S+ 0 0 183 -3,-1.4 -1,-0.3 -4,-0.4 2,-0.2 0.633 87.8 83.1 -85.6 -17.3 26.0 30.5 22.2 218 226 A S X< - 0 0 17 -3,-1.3 3,-0.6 -4,-0.6 4,-0.1 -0.591 69.7-149.2 -85.9 148.0 24.6 32.9 24.9 219 227 A R G > S+ 0 0 188 -2,-0.2 3,-0.9 1,-0.2 -1,-0.1 0.376 85.5 92.9 -94.5 9.0 23.0 31.6 28.0 220 228 A A G 3 S+ 0 0 6 1,-0.2 -1,-0.2 -62,-0.2 -64,-0.1 0.730 77.9 62.4 -64.0 -19.5 20.9 34.7 27.9 221 229 A I G < S+ 0 0 1 -3,-0.6 -183,-0.2 -6,-0.2 -1,-0.2 0.715 89.3 83.4 -81.3 -20.6 18.4 32.5 26.0 222 230 A F < 0 0 46 -3,-0.9 -3,-0.0 -188,-0.1 0, 0.0 -0.517 360.0 360.0 -82.8 147.9 17.9 30.1 28.9 223 231 A G 0 0 69 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.1 -0.298 360.0 360.0 -66.8 360.0 15.4 30.9 31.7