==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 01-JUL-10 3NSB . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR V.I.BORSHCHEVSKIY . 223 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 88.3 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 3.1 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 0.4 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 . 7 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 2 1 0 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 6 A G 0 0 121 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -71.1 17.9 19.2 77.8 2 7 A R > - 0 0 68 1,-0.1 3,-2.6 193,-0.0 4,-0.2 -0.811 360.0-136.5 -93.1 127.1 15.0 17.7 75.8 3 8 A P T > S+ 0 0 91 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.826 103.0 61.4 -52.5 -33.7 15.7 14.1 74.6 4 9 A E T >> S+ 0 0 8 1,-0.2 4,-1.6 2,-0.1 3,-0.7 0.497 76.4 98.3 -72.9 0.1 14.4 14.9 71.1 5 10 A W H <> S+ 0 0 129 -3,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.882 74.2 58.7 -56.6 -41.2 17.1 17.6 70.7 6 11 A I H <> S+ 0 0 69 -3,-0.8 4,-2.3 -4,-0.2 -1,-0.2 0.863 106.6 47.4 -57.8 -37.9 19.4 15.3 68.7 7 12 A W H <> S+ 0 0 67 -3,-0.7 4,-2.2 -4,-0.2 -1,-0.2 0.833 112.1 50.2 -73.2 -32.7 16.7 14.8 66.0 8 13 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.892 112.2 48.0 -70.5 -38.5 16.0 18.5 65.8 9 14 A A H X S+ 0 0 26 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.912 113.6 46.0 -68.1 -42.6 19.8 19.2 65.5 10 15 A L H X S+ 0 0 70 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.896 112.8 51.3 -67.3 -37.9 20.1 16.6 62.7 11 16 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.916 109.6 49.9 -64.0 -41.8 17.0 18.0 61.0 12 17 A T H X S+ 0 0 12 -4,-2.4 4,-2.4 40,-0.2 -2,-0.2 0.960 113.1 46.4 -60.2 -50.1 18.5 21.5 61.2 13 18 A A H X S+ 0 0 48 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.904 113.7 47.3 -60.1 -45.3 21.8 20.2 59.7 14 19 A L H X S+ 0 0 61 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.885 113.4 47.1 -67.0 -39.3 20.1 18.2 56.9 15 20 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 34,-0.2 0.897 113.6 50.3 -68.1 -38.3 17.8 21.0 55.9 16 21 A G H X S+ 0 0 15 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.916 112.8 44.2 -64.9 -45.5 20.6 23.4 55.9 17 22 A L H X S+ 0 0 110 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.888 112.7 52.6 -66.7 -40.2 22.9 21.3 53.8 18 23 A G H X S+ 0 0 6 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.912 109.0 50.1 -61.9 -41.9 20.0 20.5 51.4 19 24 A T H X S+ 0 0 22 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.933 112.2 46.9 -61.1 -47.4 19.4 24.2 51.0 20 25 A L H X S+ 0 0 102 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.878 111.6 51.2 -63.4 -39.4 23.0 24.9 50.3 21 26 A Y H X S+ 0 0 104 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.955 112.7 44.5 -63.4 -49.7 23.2 22.1 47.8 22 27 A F H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.869 111.8 54.9 -62.5 -35.5 20.2 23.2 45.9 23 28 A L H < S+ 0 0 102 -4,-2.3 4,-0.2 -5,-0.2 -1,-0.2 0.924 113.2 40.6 -63.5 -46.1 21.4 26.8 46.0 24 29 A V H >< S+ 0 0 95 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.953 113.9 52.8 -66.9 -50.3 24.7 25.8 44.4 25 30 A K H 3< S+ 0 0 59 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.808 105.9 55.6 -55.7 -32.9 23.2 23.4 41.9 26 31 A G T >< S+ 0 0 20 -4,-1.9 3,-1.1 -5,-0.2 -1,-0.3 0.503 81.3 114.0 -81.6 -4.2 20.8 26.1 40.7 27 32 A M T < S+ 0 0 146 -3,-2.0 3,-0.1 -4,-0.2 -3,-0.0 -0.447 79.8 17.9 -67.9 138.9 23.6 28.6 39.9 28 33 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.136 84.3 141.3 88.8 -21.8 23.9 29.3 36.2 29 34 A V < + 0 0 31 -3,-1.1 -1,-0.3 1,-0.2 -3,-0.0 -0.376 17.4 167.6 -59.1 121.7 20.4 28.1 35.4 30 35 A S + 0 0 96 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.617 38.5 110.0-109.7 -21.7 19.0 30.5 32.8 31 36 A D > - 0 0 38 1,-0.1 4,-2.5 2,-0.1 5,-0.2 -0.407 64.7-142.1 -60.4 120.6 15.9 28.5 31.7 32 37 A P H > S+ 0 0 84 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.907 99.1 45.9 -49.7 -51.6 12.8 30.3 33.0 33 38 A D H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.927 112.7 49.8 -60.7 -46.6 10.9 27.2 33.8 34 39 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.866 106.4 57.5 -60.6 -37.4 13.9 25.6 35.5 35 40 A K H X S+ 0 0 115 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.878 103.8 53.0 -60.1 -40.0 14.4 28.7 37.5 36 41 A K H X S+ 0 0 109 -4,-1.6 4,-2.5 -3,-0.3 5,-0.2 0.931 110.8 45.9 -61.1 -47.5 10.9 28.4 38.9 37 42 A F H X S+ 0 0 12 -4,-1.7 4,-2.4 185,-0.2 -2,-0.2 0.858 113.6 48.9 -65.5 -37.3 11.5 24.9 40.0 38 43 A Y H X S+ 0 0 19 -4,-2.3 4,-1.9 2,-0.2 5,-0.3 0.892 111.9 49.2 -70.0 -38.6 14.8 25.7 41.6 39 44 A A H X S+ 0 0 64 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.962 116.1 41.7 -63.3 -53.2 13.4 28.7 43.5 40 45 A I H X S+ 0 0 15 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.930 117.8 47.3 -58.7 -49.1 10.4 26.7 44.8 41 46 A T H < S+ 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.746 113.8 45.5 -68.5 -27.9 12.6 23.7 45.7 42 47 A T H X S+ 0 0 19 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.838 108.8 56.5 -83.6 -35.2 15.4 25.6 47.4 43 48 A L H X S+ 0 0 87 -4,-2.1 4,-2.4 -5,-0.3 5,-0.3 0.851 97.6 65.4 -64.2 -34.9 13.0 27.8 49.4 44 49 A V H X S+ 0 0 2 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.948 108.1 34.9 -56.2 -55.9 11.3 24.7 50.9 45 50 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.769 113.5 61.3 -73.6 -19.5 14.3 23.3 52.9 46 51 A A H X S+ 0 0 28 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.935 109.1 41.9 -68.3 -44.2 15.5 26.9 53.6 47 52 A I H X S+ 0 0 34 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.922 114.6 50.8 -66.4 -44.2 12.2 27.5 55.5 48 53 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.3 5,-0.3 0.895 106.1 57.2 -61.1 -39.1 12.3 24.1 57.1 49 54 A F H X S+ 0 0 78 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.922 107.1 47.6 -56.3 -47.1 15.9 24.9 58.2 50 55 A T H X S+ 0 0 74 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.885 114.3 45.7 -64.5 -38.5 14.7 28.0 60.0 51 56 A M H X S+ 0 0 24 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.827 111.0 51.5 -76.2 -32.5 11.8 26.2 61.8 52 57 A Y H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -40,-0.2 0.917 111.6 48.6 -68.0 -40.4 14.0 23.2 62.8 53 58 A L H X S+ 0 0 59 -4,-2.2 4,-2.7 -5,-0.3 6,-0.2 0.929 108.6 54.8 -62.8 -41.5 16.5 25.7 64.3 54 59 A S H <>S+ 0 0 17 -4,-2.0 6,-1.7 1,-0.2 5,-1.3 0.891 110.9 44.4 -56.6 -42.2 13.5 27.4 66.0 55 60 A M H ><5S+ 0 0 0 -4,-2.0 3,-0.7 4,-0.2 -1,-0.2 0.913 111.6 52.8 -70.3 -41.9 12.5 24.1 67.6 56 61 A L H 3<5S+ 0 0 42 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.918 111.6 45.2 -58.7 -46.5 16.1 23.2 68.6 57 62 A L T 3<5S- 0 0 127 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.563 117.4-114.9 -76.1 -8.9 16.6 26.6 70.3 58 63 A G T X 5S+ 0 0 27 -3,-0.7 3,-0.9 -4,-0.5 -3,-0.2 0.401 86.3 112.2 92.4 -2.6 13.3 26.2 72.0 59 64 A Y T 3 +A 69 0A 15 3,-1.8 3,-1.1 -2,-0.4 59,-0.1 -0.899 58.8 30.7-175.8 150.4 -5.0 19.1 78.1 67 72 A G T 3 S- 0 0 60 57,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.700 127.9 -67.0 67.0 16.6 -5.6 15.6 79.5 68 73 A G T 3 S+ 0 0 84 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.762 115.1 89.9 75.7 26.0 -4.6 17.0 82.9 69 74 A E E < S-A 66 0A 130 -3,-1.1 -3,-1.8 -5,-0.1 2,-0.8 -0.935 82.9-105.2-146.2 166.9 -1.0 17.6 81.9 70 75 A Q E -A 65 0A 129 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.874 43.1-159.3 -95.6 107.5 1.4 20.3 80.4 71 76 A N E -A 64 0A 18 -7,-2.2 -7,-2.8 -2,-0.8 2,-0.6 -0.800 14.2-131.0 -97.4 122.2 2.0 19.0 76.9 72 77 A P E -A 63 0A 42 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.576 29.8-174.1 -71.8 114.7 5.0 20.2 75.0 73 78 A I E -A 62 0A 0 -11,-3.7 -11,-2.6 -2,-0.6 2,-1.3 -0.954 20.7-148.7-116.9 119.0 3.8 21.2 71.5 74 79 A Y E > +A 61 0A 0 -2,-0.5 3,-0.8 -13,-0.2 -13,-0.3 -0.728 21.6 174.0 -85.3 95.8 6.2 22.3 68.8 75 80 A W T >> + 0 0 77 -2,-1.3 3,-1.3 -15,-0.6 4,-1.1 0.693 64.0 82.7 -76.2 -19.0 4.0 24.8 66.9 76 81 A A H 3> S+ 0 0 0 -16,-1.9 4,-1.8 1,-0.3 -1,-0.2 0.772 78.3 69.5 -57.4 -25.6 6.9 25.8 64.7 77 82 A R H <> S+ 0 0 0 -3,-0.8 4,-3.0 -17,-0.3 -1,-0.3 0.882 99.1 47.5 -59.7 -39.8 6.1 22.7 62.5 78 83 A Y H <> S+ 0 0 7 -3,-1.3 4,-2.4 -4,-0.2 -1,-0.2 0.820 107.8 54.2 -72.8 -30.6 2.9 24.4 61.3 79 84 A A H X S+ 0 0 28 -4,-1.1 4,-0.6 2,-0.2 -1,-0.2 0.850 114.0 45.2 -68.8 -33.2 4.7 27.7 60.6 80 85 A D H >X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 3,-1.5 0.990 116.7 41.6 -68.9 -65.2 7.0 25.5 58.4 81 86 A W H 3X S+ 0 0 18 -4,-3.0 4,-2.1 1,-0.3 -2,-0.2 0.775 101.0 71.0 -55.4 -34.2 4.3 23.5 56.7 82 87 A L H 3< S+ 0 0 76 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.862 117.1 22.8 -53.2 -36.5 2.0 26.4 56.2 83 88 A F H S+ 0 0 21 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.896 111.8 52.5 -64.5 -37.9 1.8 24.6 49.3 87 92 A L H X S+ 0 0 33 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.917 108.3 50.1 -62.2 -42.9 5.2 25.2 47.6 88 93 A L H X S+ 0 0 6 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.886 110.4 49.6 -63.3 -38.7 5.7 21.5 47.2 89 94 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.857 106.7 56.7 -67.4 -33.5 2.2 21.2 45.6 90 95 A L H X S+ 0 0 48 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.863 102.4 54.9 -65.1 -36.6 3.2 24.1 43.4 91 96 A D H X S+ 0 0 1 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.943 112.5 43.3 -60.4 -47.6 6.2 22.1 42.1 92 97 A L H X S+ 0 0 2 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.894 115.6 48.1 -65.1 -42.5 3.8 19.2 41.2 93 98 A A H <>S+ 0 0 7 -4,-2.7 5,-2.6 2,-0.2 3,-0.4 0.915 112.5 46.9 -66.4 -45.0 1.2 21.5 39.7 94 99 A L H ><5S+ 0 0 56 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.875 105.2 62.4 -64.8 -36.0 3.7 23.5 37.5 95 100 A L H 3<5S+ 0 0 11 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.851 113.0 34.7 -57.4 -36.9 5.2 20.2 36.4 96 101 A V T 3<5S- 0 0 23 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.257 111.2-118.4-102.8 11.1 1.9 19.2 34.8 97 102 A D T < 5 - 0 0 127 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.868 43.7-169.2 54.7 41.0 1.0 22.8 33.7 98 103 A A < - 0 0 17 -5,-2.6 2,-0.1 -6,-0.1 -1,-0.1 -0.187 22.9-106.6 -58.1 150.7 -2.1 22.6 35.9 99 104 A D >> - 0 0 82 1,-0.1 4,-1.9 4,-0.0 3,-0.8 -0.481 29.1-105.8 -81.6 156.0 -4.6 25.5 35.4 100 105 A Q H 3> S+ 0 0 173 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.805 116.4 60.0 -47.2 -40.5 -5.0 28.2 38.0 101 106 A G H 3> S+ 0 0 56 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 108.5 43.2 -57.4 -46.2 -8.3 26.9 39.2 102 107 A T H <> S+ 0 0 37 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.858 112.1 54.3 -68.3 -36.9 -6.8 23.6 40.3 103 108 A I H X S+ 0 0 38 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.938 109.5 47.1 -63.3 -45.7 -3.7 25.3 41.8 104 109 A L H X S+ 0 0 124 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.892 110.0 53.7 -63.1 -39.4 -5.9 27.5 44.0 105 110 A A H X S+ 0 0 31 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.920 112.9 43.4 -60.2 -45.1 -8.0 24.5 45.0 106 111 A L H X S+ 0 0 6 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.931 116.2 46.0 -65.7 -49.2 -4.8 22.7 46.1 107 112 A V H X S+ 0 0 57 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.902 115.6 46.7 -62.5 -43.2 -3.2 25.7 47.9 108 113 A G H X S+ 0 0 35 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.914 113.4 46.8 -66.9 -44.0 -6.5 26.5 49.6 109 114 A A H X S+ 0 0 11 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.862 112.1 52.8 -65.8 -33.8 -7.2 23.0 50.8 110 115 A D H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.928 107.2 51.1 -66.9 -43.3 -3.5 22.8 51.9 111 116 A G H X S+ 0 0 28 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.895 111.2 48.3 -59.7 -40.0 -4.0 26.0 53.9 112 117 A I H X S+ 0 0 95 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.929 109.5 53.6 -66.4 -43.1 -7.0 24.4 55.5 113 118 A M H X S+ 0 0 17 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.937 116.6 36.6 -55.8 -51.0 -5.1 21.2 56.2 114 119 A I H X S+ 0 0 10 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.901 116.4 52.9 -71.5 -42.1 -2.3 23.0 58.1 115 120 A G H X S+ 0 0 29 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.910 112.6 43.3 -61.0 -43.4 -4.5 25.6 59.7 116 121 A T H X S+ 0 0 17 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.825 111.4 55.7 -73.1 -28.5 -6.9 23.1 61.2 117 122 A G H X S+ 0 0 9 -4,-1.4 4,-2.2 -5,-0.3 -2,-0.2 0.896 108.7 48.2 -67.1 -39.0 -3.9 20.9 62.2 118 123 A L H X S+ 0 0 60 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.916 110.4 50.5 -65.6 -46.2 -2.5 23.9 64.1 119 124 A V H X S+ 0 0 61 -4,-2.2 4,-0.8 1,-0.2 3,-0.5 0.938 111.6 48.9 -58.2 -46.0 -5.8 24.6 65.8 120 125 A G H >< S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.898 107.9 54.4 -60.8 -40.6 -6.0 20.9 66.8 121 126 A A H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.795 116.1 37.8 -63.8 -29.4 -2.4 21.0 68.2 122 127 A L H 3< S+ 0 0 71 -4,-1.6 2,-0.3 -3,-0.5 -1,-0.2 0.401 86.8 121.0-103.6 1.1 -3.3 24.0 70.4 123 128 A T << - 0 0 22 -4,-0.8 6,-0.1 -3,-0.7 -59,-0.0 -0.511 49.0-157.0 -72.6 128.3 -6.8 23.0 71.5 124 129 A K S S+ 0 0 138 -2,-0.3 2,-0.9 1,-0.1 -57,-0.3 0.686 74.5 80.2 -78.5 -21.6 -7.3 22.6 75.2 125 130 A V S >> S- 0 0 71 1,-0.2 4,-1.3 -59,-0.1 3,-0.9 -0.802 74.6-149.2 -91.7 107.1 -10.3 20.2 75.1 126 131 A Y H >> S+ 0 0 93 -2,-0.9 3,-0.8 1,-0.3 4,-0.7 0.847 91.9 48.8 -40.4 -56.9 -8.8 16.8 74.4 127 132 A S H >> S+ 0 0 73 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.846 107.1 57.3 -58.9 -34.8 -11.7 15.3 72.4 128 133 A Y H X> S+ 0 0 134 -3,-0.9 4,-1.9 1,-0.2 3,-1.1 0.806 91.5 70.0 -66.6 -30.5 -11.9 18.4 70.2 129 134 A R H X S+ 0 0 137 -4,-2.0 4,-3.1 -5,-0.2 3,-0.5 0.940 108.6 47.6 -62.7 -50.0 -7.7 13.0 45.3 146 151 A V H 3X S+ 0 0 13 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.886 107.5 56.5 -59.5 -40.8 -6.9 16.0 43.1 147 152 A L H 3< S+ 0 0 14 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.808 118.6 32.8 -62.7 -29.8 -3.3 14.8 42.5 148 153 A F H << S+ 0 0 75 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.772 135.6 21.5 -97.7 -31.9 -4.6 11.5 41.2 149 154 A F H < 0 0 156 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.331 360.0 360.0-120.6 6.1 -7.9 12.5 39.5 150 155 A G < 0 0 75 -4,-2.3 -3,-0.2 -5,-0.3 -4,-0.1 0.716 360.0 360.0-112.6 360.0 -7.4 16.2 38.8 151 ! 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 0.0 152 159 A K 0 0 118 0, 0.0 -54,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.0 -3.1 17.2 30.6 153 160 A A > + 0 0 80 2,-0.0 3,-0.8 3,-0.0 8,-0.1 0.898 360.0 52.4 -90.9 -52.4 -2.2 13.7 29.6 154 161 A E T 3 S+ 0 0 197 1,-0.3 2,-1.2 3,-0.0 -1,-0.0 0.952 117.9 37.7 -48.9 -60.7 -2.6 13.8 25.8 155 162 A S T 3 S+ 0 0 110 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 -0.573 92.5 117.5 -95.3 70.0 -0.3 16.8 25.4 156 163 A M < - 0 0 51 -2,-1.2 -60,-0.1 -3,-0.8 5,-0.0 -0.976 66.0-117.6-140.5 123.3 2.2 15.9 28.1 157 164 A R > - 0 0 91 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.272 24.0-124.7 -58.3 139.9 6.0 15.3 27.6 158 165 A P H > S+ 0 0 104 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.891 111.2 50.6 -53.1 -45.9 7.1 11.7 28.6 159 166 A E H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.881 111.3 50.2 -62.0 -37.5 9.7 13.0 31.0 160 167 A V H > S+ 0 0 10 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.933 112.7 44.7 -65.8 -47.5 7.1 15.3 32.6 161 168 A A H X S+ 0 0 27 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.896 115.2 49.9 -63.8 -40.3 4.6 12.5 33.1 162 169 A S H X S+ 0 0 71 -4,-2.8 4,-1.5 -5,-0.2 -2,-0.2 0.921 114.5 40.9 -65.0 -49.1 7.3 10.1 34.4 163 170 A T H X S+ 0 0 17 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.892 114.1 53.8 -68.8 -39.7 8.8 12.5 37.0 164 171 A F H X S+ 0 0 23 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.926 107.4 50.9 -60.4 -44.8 5.4 13.7 38.1 165 172 A K H X S+ 0 0 104 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.863 112.6 46.8 -61.9 -35.9 4.2 10.1 38.7 166 173 A V H X S+ 0 0 64 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.936 115.2 44.1 -71.0 -47.7 7.3 9.4 40.8 167 174 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.819 112.4 54.2 -67.3 -30.0 7.0 12.6 42.8 168 175 A R H X S+ 0 0 32 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.905 109.5 46.8 -70.2 -40.7 3.2 12.1 43.2 169 176 A N H X S+ 0 0 85 -4,-1.7 4,-2.1 -5,-0.2 5,-0.2 0.900 112.1 50.2 -66.7 -40.2 3.8 8.6 44.6 170 177 A V H X S+ 0 0 37 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.903 112.4 49.3 -63.2 -40.2 6.5 9.9 46.9 171 178 A T H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 5,-0.4 0.936 109.8 48.2 -66.3 -48.2 4.1 12.6 48.1 172 179 A V H X S+ 0 0 27 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.914 115.2 45.3 -60.7 -43.6 1.1 10.3 48.7 173 180 A V H X S+ 0 0 105 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.950 119.7 37.9 -65.4 -51.7 3.2 7.9 50.8 174 181 A L H >X S+ 0 0 31 -4,-2.2 3,-0.9 -5,-0.2 4,-0.8 0.927 117.1 48.6 -68.5 -47.0 5.1 10.4 52.9 175 182 A W H >< S+ 0 0 14 -4,-2.6 3,-0.8 -5,-0.3 -1,-0.2 0.887 104.6 60.8 -61.7 -39.1 2.3 12.9 53.4 176 183 A S H 3X S+ 0 0 42 -4,-1.6 4,-0.6 -5,-0.4 -1,-0.2 0.752 98.5 59.8 -60.5 -24.0 -0.2 10.1 54.5 177 184 A A H S+ 0 0 18 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.861 112.5 51.4 -61.5 -31.3 -1.6 12.4 60.3 180 187 A V H X S+ 0 0 80 -4,-0.6 4,-2.3 -3,-0.3 5,-0.3 0.942 111.1 46.3 -69.1 -45.5 -0.8 8.9 61.6 181 188 A V H X S+ 0 0 13 -4,-2.6 4,-1.8 1,-0.2 7,-0.2 0.921 114.4 48.6 -61.5 -43.7 2.2 10.2 63.5 182 189 A W H < S+ 0 0 14 -4,-2.8 6,-0.6 -5,-0.2 8,-0.3 0.928 110.9 51.5 -61.2 -46.5 0.3 13.1 64.8 183 190 A L H < S+ 0 0 56 -4,-2.4 6,-3.2 -5,-0.2 -2,-0.2 0.883 119.8 32.5 -60.5 -42.8 -2.6 10.9 65.9 184 191 A I H < S+ 0 0 52 -4,-2.3 8,-2.0 4,-0.2 7,-1.4 0.608 112.6 77.7 -91.8 -12.2 -0.4 8.4 67.9 185 192 A G S ><>S- 0 0 0 -4,-1.8 5,-2.6 -5,-0.3 3,-1.3 0.023 104.8 -70.4 -85.0-166.2 2.1 11.0 69.0 186 193 A S T 3 5S+ 0 0 20 1,-0.3 -4,-0.1 6,-0.2 -3,-0.1 0.710 127.5 56.7 -59.8 -27.5 2.2 13.7 71.7 187 194 A E T 3 5S+ 0 0 0 -5,-0.2 -1,-0.3 7,-0.0 -4,-0.1 0.695 123.4 17.4 -78.4 -19.1 -0.4 16.0 69.9 188 195 A G T < 5S- 0 0 2 -3,-1.3 -4,-0.2 -6,-0.6 -5,-0.2 0.328 132.6 -9.9-116.6-116.1 -2.9 13.1 69.9 189 196 A A T 5S- 0 0 47 -6,-3.2 -5,-0.2 -7,-0.1 -3,-0.2 0.621 74.6-139.4 -68.1 -16.0 -3.2 9.8 71.8 190 197 A G < + 0 0 48 -5,-2.6 -5,-0.2 -8,-0.3 -4,-0.2 0.795 61.9 129.0 61.4 32.0 0.3 10.1 73.3 191 198 A I + 0 0 118 -7,-1.4 -6,-0.2 -6,-0.2 -1,-0.1 0.661 66.3 55.8 -89.4 -18.6 1.1 6.4 72.9 192 199 A V S S- 0 0 31 -8,-2.0 -6,-0.2 -11,-0.1 -1,-0.1 -0.968 96.3-116.5-113.9 124.4 4.4 7.2 71.1 193 200 A P >> - 0 0 74 0, 0.0 4,-2.4 0, 0.0 3,-0.6 -0.195 22.4-112.3 -60.7 152.4 6.8 9.5 73.1 194 201 A L H 3> S+ 0 0 24 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.828 114.2 57.5 -52.8 -39.3 7.8 12.9 71.8 195 202 A N H 3> S+ 0 0 51 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.914 111.6 41.2 -63.0 -40.5 11.4 12.0 71.1 196 203 A I H <> S+ 0 0 67 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.871 113.7 53.8 -72.7 -37.8 10.4 9.1 68.8 197 204 A E H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.904 107.4 51.3 -61.1 -42.1 7.7 11.3 67.3 198 205 A T H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.898 108.8 51.0 -63.3 -40.9 10.3 14.0 66.5 199 206 A L H X S+ 0 0 47 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.931 109.3 51.3 -61.3 -46.4 12.5 11.4 64.8 200 207 A L H X S+ 0 0 63 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.933 110.9 46.9 -57.4 -49.0 9.6 10.2 62.7 201 208 A F H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.839 109.6 54.7 -64.1 -33.0 8.8 13.8 61.5 202 209 A M H X S+ 0 0 12 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.919 110.6 44.9 -66.7 -43.6 12.5 14.5 60.8 203 210 A V H X S+ 0 0 75 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.936 117.3 45.4 -65.0 -45.0 12.8 11.5 58.5 204 211 A L H X S+ 0 0 20 -4,-2.5 4,-3.1 -5,-0.2 5,-0.2 0.957 115.0 47.3 -62.5 -50.8 9.5 12.3 56.8 205 212 A D H X S+ 0 0 0 -4,-3.3 4,-1.3 1,-0.2 5,-0.3 0.930 113.4 46.4 -57.4 -50.9 10.4 16.0 56.5 206 213 A V H X>S+ 0 0 23 -4,-2.7 5,-2.2 -5,-0.2 4,-1.7 0.908 116.6 45.9 -60.7 -40.2 13.9 15.5 55.1 207 214 A S H <>S+ 0 0 46 -4,-2.1 5,-1.9 -5,-0.3 -2,-0.2 0.923 114.0 47.2 -68.4 -43.3 12.5 12.9 52.6 208 215 A A H <5S+ 0 0 3 -4,-3.1 -1,-0.2 3,-0.2 -2,-0.2 0.631 127.6 27.3 -73.5 -13.9 9.5 15.0 51.6 209 216 A K H X5S+ 0 0 6 -4,-1.3 4,-1.8 -5,-0.2 -3,-0.2 0.800 133.7 22.7-112.1 -61.2 11.8 18.0 51.1 210 217 A V H X5S+ 0 0 21 -4,-1.7 4,-2.6 -5,-0.3 -3,-0.2 0.904 128.9 46.0 -77.4 -42.6 15.4 17.1 50.3 211 218 A G H >< S+ 0 0 66 -4,-2.0 3,-0.5 -5,-0.2 4,-0.3 0.943 116.1 41.9 -61.8 -48.4 14.4 13.7 42.4 216 223 A L H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 6,-0.4 0.932 114.1 48.9 -65.7 -49.1 12.9 16.8 40.9 217 224 A L H 3< S+ 0 0 3 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.526 108.5 54.0 -72.5 -7.1 16.0 18.9 40.3 218 225 A R T << S+ 0 0 176 -4,-0.8 -1,-0.3 -3,-0.5 2,-0.2 0.419 93.3 93.3-103.4 -2.9 17.9 16.0 38.7 219 226 A S S X S- 0 0 19 -3,-1.3 3,-0.6 -4,-0.3 4,-0.1 -0.584 73.8-138.3 -90.3 153.2 15.1 15.5 36.1 220 227 A R G > S+ 0 0 172 -2,-0.2 3,-1.4 1,-0.2 -60,-0.1 0.503 90.7 87.5 -86.7 -3.9 15.0 17.1 32.7 221 228 A A G 3 S+ 0 0 6 1,-0.3 -1,-0.2 -62,-0.2 -61,-0.1 0.776 75.3 66.2 -64.8 -27.9 11.3 17.7 33.2 222 229 A I G < S+ 0 0 1 -3,-0.6 2,-0.3 -6,-0.4 -1,-0.3 0.617 91.1 81.2 -71.0 -11.4 12.0 21.1 34.9 223 230 A F < 0 0 42 -3,-1.4 -3,-0.0 -190,-0.1 0, 0.0 -0.725 360.0 360.0 -98.3 145.5 13.4 22.4 31.6 224 231 A G 0 0 68 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 -0.208 360.0 360.0 -73.5 360.0 11.3 23.8 28.7