==== 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 PROTON TRANSPORT 07-MAY-03 1P8U . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR J.K.LANYI . 222 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10176.0 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 . 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 . 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 . 143 64.4 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 0 1 1 3 1 0 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 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 0 111 0, 0.0 6,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-160.7 23.6 25.6 -15.2 2 6 A G + 0 0 82 4,-0.1 3,-0.1 3,-0.1 0, 0.0 0.668 360.0 80.8 -65.6 -17.3 23.1 28.3 -17.8 3 7 A R S > S- 0 0 58 1,-0.1 3,-2.1 2,-0.0 4,-0.3 -0.768 72.7-147.1 -97.0 126.0 22.8 31.0 -15.2 4 8 A P T > S+ 0 0 85 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.857 98.2 59.9 -61.7 -29.0 26.2 32.3 -13.9 5 9 A E T >> S+ 0 0 10 1,-0.2 4,-1.7 2,-0.1 3,-1.3 0.628 77.0 97.4 -76.7 -4.2 24.7 32.9 -10.4 6 10 A W H <> S+ 0 0 103 -3,-2.1 4,-3.1 1,-0.3 5,-0.3 0.874 76.2 58.9 -46.7 -46.3 23.8 29.2 -10.1 7 11 A I H <> S+ 0 0 70 -3,-0.7 4,-2.5 -4,-0.3 -1,-0.3 0.890 106.9 46.6 -57.3 -31.9 26.9 28.5 -8.1 8 12 A W H <> S+ 0 0 68 -3,-1.3 4,-1.9 -4,-0.3 -1,-0.2 0.902 111.2 50.1 -82.4 -32.7 25.9 31.0 -5.4 9 13 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 48,-0.3 0.881 113.5 48.2 -64.2 -39.9 22.3 29.7 -5.2 10 14 A A H X S+ 0 0 27 -4,-3.1 4,-2.9 -5,-0.2 5,-0.3 0.942 112.3 47.2 -66.4 -49.8 23.7 26.1 -4.9 11 15 A L H X S+ 0 0 68 -4,-2.5 4,-3.1 -5,-0.3 5,-0.3 0.941 114.2 47.8 -57.7 -37.2 26.2 27.1 -2.2 12 16 A G H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.959 109.1 53.0 -74.4 -36.6 23.6 29.0 -0.3 13 17 A T H X S+ 0 0 13 -4,-2.7 4,-2.0 40,-0.2 5,-0.2 0.960 113.3 45.5 -52.7 -51.4 21.2 26.1 -0.6 14 18 A A H X S+ 0 0 44 -4,-2.9 4,-2.5 1,-0.2 5,-0.4 0.944 112.9 47.9 -58.1 -46.6 23.9 23.9 0.9 15 19 A L H X S+ 0 0 64 -4,-3.1 4,-1.3 -5,-0.3 -1,-0.2 0.933 110.7 51.8 -71.2 -28.6 24.9 26.3 3.6 16 20 A M H X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.3 34,-0.3 0.879 113.9 43.9 -66.6 -34.0 21.3 26.8 4.7 17 21 A G H X S+ 0 0 11 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.935 112.9 47.9 -78.3 -47.6 20.6 23.1 4.9 18 22 A L H X S+ 0 0 114 -4,-2.5 4,-2.0 -5,-0.2 5,-0.2 0.878 112.9 54.8 -58.9 -31.6 23.7 22.1 6.7 19 23 A G H X S+ 0 0 5 -4,-1.3 4,-2.1 -5,-0.4 -1,-0.2 0.918 106.0 47.6 -70.3 -39.0 22.9 24.9 9.0 20 24 A T H X S+ 0 0 16 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.925 111.4 51.6 -68.7 -38.5 19.4 23.8 9.8 21 25 A L H X S+ 0 0 102 -4,-2.1 4,-3.0 2,-0.3 5,-0.4 0.930 108.3 51.0 -57.1 -51.6 20.5 20.3 10.5 22 26 A Y H X S+ 0 0 100 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.929 114.3 45.6 -48.6 -48.2 23.2 21.6 12.9 23 27 A F H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.3 0.905 111.9 51.5 -67.7 -38.1 20.5 23.5 14.5 24 28 A L H X S+ 0 0 96 -4,-3.1 4,-2.1 2,-0.2 3,-0.3 0.989 114.7 40.3 -63.5 -59.5 18.1 20.6 14.6 25 29 A V H < S+ 0 0 98 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.907 115.3 53.6 -54.0 -42.0 20.6 18.2 16.2 26 30 A K H < S+ 0 0 53 -4,-2.6 4,-0.3 -5,-0.4 -1,-0.3 0.918 109.6 49.8 -57.6 -40.0 21.7 21.0 18.4 27 31 A G H >< S+ 0 0 20 -4,-2.4 3,-0.8 -3,-0.3 -2,-0.2 0.777 86.5 97.6 -74.0 -28.6 18.1 21.5 19.5 28 32 A M T 3< S+ 0 0 125 -4,-2.1 2,-0.1 1,-0.2 3,-0.1 -0.435 86.6 28.7 -64.1 135.5 17.4 17.9 20.3 29 33 A G T 3 S+ 0 0 74 1,-0.4 -1,-0.2 -2,-0.1 -2,-0.1 -0.420 88.7 119.9 111.9 -53.1 17.7 17.3 24.0 30 34 A V < + 0 0 44 -3,-0.8 -1,-0.4 -4,-0.3 -3,-0.0 -0.076 27.1 166.4 -45.9 139.9 16.8 20.9 25.0 31 35 A S + 0 0 90 -3,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.252 34.1 119.1-142.6 -0.1 13.7 21.1 27.2 32 36 A D > - 0 0 33 1,-0.1 4,-2.5 2,-0.0 5,-0.1 -0.611 61.0-139.2 -71.7 129.5 13.9 24.7 28.5 33 37 A P T >4 S+ 0 0 71 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.972 100.4 40.4 -52.5 -71.2 10.8 26.5 27.4 34 38 A D T >> S+ 0 0 65 1,-0.3 3,-2.3 2,-0.2 4,-1.6 0.876 116.7 50.7 -42.8 -52.7 12.4 29.8 26.4 35 39 A A H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.852 102.6 61.7 -56.6 -37.0 15.3 27.9 24.9 36 40 A K H << S+ 0 0 117 -4,-2.5 -1,-0.3 -3,-0.8 4,-0.3 0.424 104.1 51.6 -66.4 -2.4 12.7 26.0 23.0 37 41 A K H <> S+ 0 0 87 -3,-2.3 4,-2.6 184,-0.2 5,-0.3 0.701 107.5 46.3-106.3 -39.4 11.7 29.3 21.4 38 42 A F H X S+ 0 0 9 -4,-1.6 4,-4.4 183,-0.2 5,-0.4 0.982 113.8 49.9 -68.6 -46.2 15.1 30.5 20.2 39 43 A Y H X S+ 0 0 21 -4,-2.2 4,-3.3 3,-0.2 5,-0.4 0.935 114.9 46.5 -52.5 -47.8 15.8 27.1 18.7 40 44 A A H > S+ 0 0 47 -4,-0.3 4,-2.9 -5,-0.2 5,-0.2 0.985 120.6 35.3 -51.4 -69.1 12.4 27.2 17.0 41 45 A I H X S+ 0 0 16 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.910 123.5 45.7 -52.4 -50.0 12.7 30.7 15.7 42 46 A T H < S+ 0 0 7 -4,-4.4 -1,-0.2 -5,-0.3 -3,-0.2 0.865 115.5 45.2 -67.8 -39.8 16.4 30.4 15.0 43 47 A T H X S+ 0 0 17 -4,-3.3 4,-1.9 -5,-0.4 -2,-0.2 0.922 106.2 59.6 -73.4 -42.8 16.1 27.0 13.4 44 48 A L H X S+ 0 0 83 -4,-2.9 4,-4.6 -5,-0.4 5,-0.4 0.843 93.1 67.7 -56.9 -33.1 13.2 27.8 11.2 45 49 A A H X S+ 0 0 6 -4,-1.1 4,-4.3 2,-0.2 -1,-0.2 0.980 110.2 29.9 -60.6 -59.2 14.9 30.6 9.3 46 50 A P H > S+ 0 0 0 0, 0.0 4,-4.4 0, 0.0 5,-0.3 0.848 117.7 62.9 -72.1 -21.2 17.5 28.7 7.4 47 51 A A H X S+ 0 0 30 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.993 114.4 30.6 -55.6 -59.0 14.9 26.0 7.4 48 52 A I H X S+ 0 0 35 -4,-4.6 4,-2.7 1,-0.2 5,-0.2 0.908 120.5 55.4 -62.9 -39.3 12.6 28.2 5.4 49 53 A A H X S+ 0 0 0 -4,-4.3 4,-4.7 -5,-0.4 5,-0.4 0.954 102.3 57.0 -57.6 -49.0 15.7 29.8 3.8 50 54 A F H X S+ 0 0 75 -4,-4.4 4,-2.7 -34,-0.3 5,-0.3 0.932 110.2 43.4 -44.0 -54.2 16.9 26.3 2.7 51 55 A T H X S+ 0 0 67 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.942 116.6 46.8 -67.1 -38.5 13.6 25.8 0.8 52 56 A M H X S+ 0 0 37 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.940 112.6 49.0 -72.1 -42.3 13.6 29.3 -0.6 53 57 A Y H X S+ 0 0 0 -4,-4.7 4,-2.7 1,-0.2 -40,-0.2 0.903 113.0 49.3 -57.2 -38.4 17.3 29.1 -1.6 54 58 A L H X S+ 0 0 55 -4,-2.7 4,-2.7 -5,-0.4 6,-0.3 0.914 105.3 56.4 -70.9 -32.6 16.5 25.7 -3.2 55 59 A S H <>S+ 0 0 20 -4,-2.4 6,-2.5 -5,-0.3 5,-1.0 0.869 111.0 45.3 -66.6 -23.5 13.5 27.1 -5.0 56 60 A M H ><5S+ 0 0 0 -4,-1.4 3,-1.5 4,-0.2 -2,-0.2 0.955 110.4 52.5 -78.0 -50.8 15.9 29.7 -6.5 57 61 A L H 3<5S+ 0 0 40 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.907 112.9 45.0 -45.1 -50.1 18.5 27.1 -7.4 58 62 A L T 3<5S- 0 0 131 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.561 118.8-112.8 -79.8 -4.9 15.9 25.0 -9.2 59 63 A G T X 5S+ 0 0 26 -3,-1.5 3,-0.9 -4,-0.2 -3,-0.2 0.365 88.3 108.9 98.4 -7.6 14.5 28.0 -11.0 60 64 A Y T 3 +A 70 0A 16 3,-2.4 3,-0.6 -2,-0.3 59,-0.1 -0.871 58.5 26.4 176.9 152.7 11.8 47.8 -17.2 68 72 A G T 3 S- 0 0 62 57,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.724 135.6 -51.0 53.8 26.8 14.5 50.3 -18.4 69 73 A G T 3 S+ 0 0 71 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.745 117.7 66.3 86.5 30.5 14.2 48.5 -21.7 70 74 A E E < S-A 67 0A 120 -3,-0.6 -3,-2.4 -5,-0.0 2,-0.8 -0.992 80.5 -92.6-168.3 176.6 14.6 44.8 -20.7 71 75 A Q E -A 66 0A 120 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.852 42.0-165.2-101.3 89.2 13.7 41.5 -19.1 72 76 A N E -A 65 0A 21 -7,-2.8 -7,-2.1 -2,-0.8 2,-0.3 -0.664 20.1-125.7 -86.8 123.1 15.3 41.5 -15.6 73 77 A P E -A 64 0A 33 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.512 32.2-170.0 -70.4 126.6 15.6 38.2 -13.8 74 78 A I E -A 63 0A 0 -11,-3.2 -11,-2.1 -2,-0.3 2,-1.5 -0.951 19.8-148.9-129.0 120.7 14.0 38.7 -10.4 75 79 A Y > + 0 0 1 -2,-0.5 3,-1.3 -13,-0.2 4,-0.4 -0.605 20.0 173.3 -87.6 91.4 14.1 36.3 -7.5 76 80 A W T >> + 0 0 77 -2,-1.5 4,-1.8 1,-0.2 3,-0.9 0.793 67.7 80.4 -68.8 -20.7 10.9 36.8 -5.7 77 81 A A H 3> S+ 0 0 0 -16,-1.9 4,-2.9 1,-0.3 -1,-0.2 0.831 81.5 67.6 -58.0 -25.0 11.6 33.9 -3.4 78 82 A R H <> S+ 0 0 4 -3,-1.3 4,-4.2 -17,-0.3 5,-0.3 0.943 101.8 44.3 -52.7 -51.7 13.9 36.2 -1.5 79 83 A Y H <> S+ 0 0 6 -3,-0.9 4,-4.1 -4,-0.4 5,-0.4 0.935 113.9 48.5 -64.8 -46.3 10.9 38.3 -0.3 80 84 A A H X S+ 0 0 22 -4,-1.8 4,-1.2 2,-0.2 5,-0.3 0.915 114.7 50.3 -55.3 -38.8 8.9 35.1 0.5 81 85 A D H X S+ 0 0 0 -4,-2.9 4,-3.0 -5,-0.3 3,-0.4 0.996 119.0 33.7 -60.1 -60.8 12.2 34.2 2.3 82 86 A W H X S+ 0 0 13 -4,-4.2 4,-3.8 2,-0.2 -2,-0.2 0.856 110.0 63.0 -69.0 -32.6 12.5 37.4 4.2 83 87 A L H < S+ 0 0 77 -4,-4.1 -1,-0.2 -5,-0.3 -3,-0.2 0.906 117.2 32.7 -61.9 -33.3 8.8 38.0 4.8 84 88 A F H < S+ 0 0 120 -4,-1.2 4,-0.5 -5,-0.4 -2,-0.2 0.830 128.0 38.2 -88.5 -34.3 8.8 34.8 6.7 85 89 A T H X S+ 0 0 0 -4,-3.0 4,-2.0 -5,-0.3 -3,-0.2 0.824 100.4 68.6 -97.2 -20.2 12.3 34.9 8.1 86 90 A T H X S+ 0 0 11 -4,-3.8 4,-2.7 -5,-0.2 5,-0.3 0.927 101.4 48.1 -64.4 -36.0 12.8 38.6 9.0 87 91 A P H > S+ 0 0 18 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.812 106.6 59.3 -71.9 -19.8 10.2 38.6 11.9 88 92 A L H > S+ 0 0 26 -4,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.968 108.1 44.3 -66.4 -44.6 11.9 35.4 13.1 89 93 A L H X S+ 0 0 8 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.936 117.1 45.2 -60.4 -50.1 15.1 37.5 13.4 90 94 A L H X S+ 0 0 4 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.781 111.5 53.8 -66.2 -23.6 13.2 40.3 15.0 91 95 A L H X S+ 0 0 52 -4,-2.0 4,-2.8 -5,-0.3 5,-0.3 0.924 109.3 47.3 -76.3 -37.3 11.4 37.8 17.2 92 96 A D H X S+ 0 0 3 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.924 118.6 41.3 -63.7 -43.0 14.7 36.5 18.4 93 97 A L H X S+ 0 0 4 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.935 118.4 48.1 -67.9 -45.8 15.9 40.0 19.0 94 98 A A H >X>S+ 0 0 4 -4,-2.9 4,-1.4 -5,-0.2 3,-1.1 0.982 111.6 44.8 -60.3 -64.6 12.6 41.0 20.5 95 99 A L H 3<5S+ 0 0 70 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.820 107.2 66.9 -46.3 -35.9 12.1 38.1 22.9 96 100 A L H 3<5S+ 0 0 6 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.870 112.1 28.2 -49.6 -53.4 15.7 38.7 23.8 97 101 A V H <<5S- 0 0 20 -4,-1.4 -1,-0.3 -3,-1.1 -2,-0.2 0.495 114.1-117.0 -87.5 -9.0 15.0 42.1 25.3 98 102 A D T <5 - 0 0 128 -4,-1.4 2,-0.3 -5,-0.2 -3,-0.2 0.992 39.5-159.1 64.2 72.5 11.5 41.1 26.3 99 103 A A < - 0 0 13 -5,-0.5 -1,-0.1 1,-0.1 53,-0.1 -0.621 18.3-111.2 -86.7 138.1 9.6 43.6 24.1 100 104 A D >> - 0 0 122 -2,-0.3 4,-2.0 1,-0.1 3,-0.8 -0.351 32.4-111.3 -62.5 155.2 6.0 44.5 24.9 101 105 A Q H 3> S+ 0 0 169 1,-0.2 4,-4.2 2,-0.2 5,-0.3 0.858 112.7 64.3 -55.0 -44.4 3.6 43.2 22.3 102 106 A G H 3> S+ 0 0 57 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.865 108.7 40.6 -52.8 -39.5 2.7 46.7 20.9 103 107 A T H <> S+ 0 0 38 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.881 114.4 51.4 -79.0 -37.2 6.3 47.1 19.7 104 108 A I H X S+ 0 0 37 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.950 111.6 47.9 -63.8 -40.0 6.6 43.6 18.5 105 109 A L H X S+ 0 0 132 -4,-4.2 4,-1.8 1,-0.2 5,-0.3 0.935 112.1 51.1 -62.4 -38.2 3.4 44.1 16.6 106 110 A A H X S+ 0 0 33 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.822 109.9 49.9 -67.1 -29.8 4.9 47.4 15.3 107 111 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.957 111.9 43.0 -77.9 -47.1 8.1 45.7 14.2 108 112 A V H X S+ 0 0 49 -4,-2.2 4,-4.2 2,-0.2 5,-0.3 0.909 114.4 52.6 -66.4 -37.0 6.6 42.8 12.1 109 113 A G H X S+ 0 0 38 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.929 113.1 41.8 -63.1 -45.7 4.1 45.1 10.5 110 114 A A H X S+ 0 0 14 -4,-1.5 4,-3.9 -5,-0.3 -1,-0.2 0.915 114.0 59.3 -63.6 -33.4 6.7 47.5 9.5 111 115 A D H X>S+ 0 0 0 -4,-2.5 4,-3.6 2,-0.2 5,-0.5 0.975 106.3 42.0 -60.0 -53.3 8.6 44.3 8.6 112 116 A G H X5S+ 0 0 27 -4,-4.2 4,-2.0 1,-0.2 5,-0.3 0.875 115.2 51.3 -69.3 -23.2 6.0 43.1 6.2 113 117 A I H X5S+ 0 0 92 -4,-1.9 4,-4.1 -5,-0.3 5,-0.4 0.951 111.2 50.1 -71.2 -37.8 5.7 46.6 4.8 114 118 A M H X5S+ 0 0 13 -4,-3.9 4,-2.0 2,-0.2 -2,-0.2 0.972 124.0 28.3 -59.3 -53.6 9.5 46.5 4.5 115 119 A I H X5S+ 0 0 11 -4,-3.6 4,-4.0 2,-0.2 5,-0.3 0.961 122.6 54.4 -73.1 -43.5 9.5 43.2 2.7 116 120 A G H X< S+ 0 0 0 -4,-3.0 3,-0.8 1,-0.2 -1,-0.2 0.933 108.7 56.5 -54.4 -43.7 9.6 47.6 -5.7 122 126 A A H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.851 116.2 33.2 -60.5 -35.9 11.1 44.4 -7.0 123 127 A L H 3< S+ 0 0 64 -4,-2.0 2,-0.4 -3,-0.2 -1,-0.2 0.413 86.1 117.5-106.1 4.9 8.2 43.7 -9.4 124 128 A T << - 0 0 28 -4,-1.1 6,-0.1 -3,-0.8 -59,-0.0 -0.583 51.5-154.8 -73.1 124.8 7.1 47.2 -10.4 125 129 A K S S+ 0 0 144 -2,-0.4 2,-0.8 4,-0.1 -57,-0.3 0.723 72.5 87.9 -75.1 -20.0 7.6 47.8 -14.1 126 130 A V S >> S- 0 0 74 1,-0.2 4,-1.3 -59,-0.1 3,-1.0 -0.711 72.3-149.3 -85.6 110.7 8.0 51.6 -13.9 127 131 A Y H >> S+ 0 0 87 -2,-0.8 4,-0.8 1,-0.3 3,-0.6 0.853 90.8 46.1 -48.9 -51.4 11.7 52.2 -13.3 128 132 A S H 3> S+ 0 0 80 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.821 107.4 58.5 -68.2 -24.5 11.5 55.4 -11.2 129 133 A Y H X> S+ 0 0 140 -3,-1.0 4,-2.0 1,-0.2 3,-1.0 0.830 91.5 70.0 -76.2 -22.5 8.8 54.0 -9.0 130 134 A R H X S+ 0 0 141 -4,-1.5 3,-0.9 -5,-0.4 4,-0.6 0.928 110.7 41.5 -59.8 -40.7 15.5 53.0 15.2 147 151 A V H 3X S+ 0 0 9 -4,-1.8 4,-1.2 1,-0.2 -2,-0.3 0.844 100.9 74.3 -70.7 -25.3 13.3 51.0 17.5 148 152 A L H 3< S+ 0 0 5 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.669 114.6 19.3 -62.9 -15.1 16.2 48.5 17.6 149 153 A F H X< S+ 0 0 80 -3,-0.9 2,-1.1 -4,-0.6 3,-0.8 0.580 141.9 16.6-110.7 -90.5 18.0 50.9 19.9 150 154 A F H 3< S+ 0 0 144 -4,-0.6 -2,-0.2 1,-0.2 -3,-0.1 -0.259 97.8 98.9 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169 A S H 3X S+ 0 0 68 -4,-0.8 4,-1.7 1,-0.3 -1,-0.2 0.871 117.2 53.1 -56.7 -36.3 25.4 42.2 26.0 162 170 A T H 3X S+ 0 0 16 -4,-2.1 4,-1.8 1,-0.2 -1,-0.3 0.808 106.1 55.1 -60.6 -32.8 24.1 39.5 23.7 163 171 A F H < S+ 0 0 15 -4,-3.4 3,-1.1 1,-0.2 -3,-0.2 0.946 115.8 49.2 -54.4 -48.6 20.0 44.9 7.8 175 183 A S H 3X S+ 0 0 36 -4,-3.4 4,-1.1 -5,-0.4 -1,-0.2 0.781 103.7 62.0 -64.3 -22.7 21.4 48.2 6.4 176 184 A A H 3X S+ 0 0 29 -4,-1.3 4,-2.5 -3,-0.5 -1,-0.3 0.865 93.7 65.1 -71.0 -27.5 23.5 46.3 4.0 177 185 A Y H S+ 0 0 20 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.821 112.4 53.7 -65.8 -27.8 19.0 48.0 1.0 179 187 A V H X S+ 0 0 83 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.934 109.4 46.5 -69.2 -42.3 22.4 49.0 -0.3 180 188 A V H X S+ 0 0 13 -4,-2.5 4,-2.4 2,-0.2 7,-0.2 0.933 114.0 49.3 -64.4 -41.6 22.8 45.7 -2.2 181 189 A W H < S+ 0 0 14 -4,-2.3 6,-0.7 2,-0.2 8,-0.3 0.956 111.9 47.9 -56.7 -52.5 19.3 46.1 -3.6 182 190 A L H < S+ 0 0 57 -4,-2.4 6,-3.5 1,-0.2 8,-0.3 0.901 118.8 39.7 -60.8 -36.5 19.9 49.6 -4.7 183 191 A I H < S+ 0 0 43 -4,-2.3 8,-2.8 4,-0.2 7,-1.1 0.763 107.2 72.8 -88.3 -21.8 23.2 48.8 -6.4 184 192 A G S ><>S- 0 0 0 -4,-2.4 5,-2.3 6,-0.2 3,-1.5 -0.022 105.0 -72.2 -83.7-169.0 22.3 45.4 -7.9 185 193 A S T 3 5S+ 0 0 20 6,-0.4 -4,-0.1 1,-0.3 8,-0.1 0.656 126.7 58.7 -59.5 -25.4 20.1 44.4 -10.9 186 194 A E T 3 5S+ 0 0 3 -5,-0.2 -1,-0.3 7,-0.0 -4,-0.1 0.744 120.1 20.3 -75.6 -29.8 16.8 45.3 -9.1 187 195 A G T < 5S- 0 0 2 -3,-1.5 -4,-0.2 -6,-0.7 -5,-0.2 0.537 136.1 -13.7-109.2-111.5 17.9 48.9 -8.6 188 196 A A T 5S- 0 0 44 -6,-3.5 -3,-0.2 -7,-0.2 -5,-0.2 0.744 78.5-130.1 -77.0 -16.2 20.5 51.0 -10.3 189 197 A G < + 0 0 48 -5,-2.3 -4,-0.2 -7,-0.3 -5,-0.2 0.764 63.6 137.6 71.2 27.8 22.0 47.9 -12.0 190 198 A I + 0 0 120 -7,-1.1 -6,-0.2 -6,-0.4 -7,-0.1 0.898 63.9 44.7 -67.2 -43.4 25.5 48.9 -10.8 191 199 A V S S- 0 0 24 -8,-2.8 -6,-0.4 -11,-0.2 -1,-0.1 -0.874 95.0-106.1-110.6 133.2 26.5 45.4 -9.7 192 200 A P > - 0 0 73 0, 0.0 4,-3.2 0, 0.0 3,-0.4 -0.140 28.1-115.2 -58.5 151.8 25.9 42.3 -11.8 193 201 A L H > S+ 0 0 23 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.832 115.8 55.8 -57.2 -34.7 23.2 39.8 -10.6 194 202 A N H > S+ 0 0 54 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.889 112.0 42.4 -72.8 -31.2 25.8 37.1 -9.9 195 203 A I H > S+ 0 0 62 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.912 115.2 49.7 -74.7 -41.8 27.6 39.5 -7.6 196 204 A E H X S+ 0 0 2 -4,-3.2 4,-2.7 2,-0.2 5,-0.3 0.957 109.4 52.3 -59.8 -44.3 24.4 40.7 -6.1 197 205 A T H X S+ 0 0 0 -4,-3.3 4,-3.1 1,-0.2 5,-0.3 0.949 110.3 48.5 -56.8 -46.3 23.3 37.1 -5.5 198 206 A L H X S+ 0 0 44 -4,-1.7 4,-3.3 -5,-0.2 -1,-0.2 0.931 110.5 50.6 -59.6 -44.9 26.5 36.3 -3.8 199 207 A L H X S+ 0 0 59 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.946 113.6 45.3 -59.2 -44.2 26.2 39.4 -1.5 200 208 A F H X S+ 0 0 2 -4,-2.7 4,-4.4 2,-0.2 5,-0.2 0.903 113.7 48.6 -65.8 -41.3 22.6 38.5 -0.6 201 209 A M H X S+ 0 0 6 -4,-3.1 4,-3.3 -5,-0.3 5,-0.4 0.926 110.9 51.6 -68.6 -37.8 23.6 34.9 0.0 202 210 A V H X S+ 0 0 67 -4,-3.3 4,-2.4 -5,-0.3 5,-0.2 0.968 116.0 40.4 -60.1 -44.8 26.5 36.1 2.1 203 211 A L H X S+ 0 0 20 -4,-2.9 4,-4.1 -5,-0.2 5,-0.3 0.940 116.7 50.4 -66.7 -43.8 24.1 38.2 4.1 204 212 A D H X>S+ 0 0 0 -4,-4.4 4,-4.7 2,-0.2 5,-0.5 0.965 113.5 43.6 -60.0 -52.7 21.4 35.5 4.2 205 213 A V H X>S+ 0 0 21 -4,-3.3 5,-2.1 2,-0.2 4,-1.7 0.959 119.3 43.8 -57.7 -47.0 23.8 32.8 5.4 206 214 A S H <>S+ 0 0 43 -4,-2.4 5,-4.6 -5,-0.4 6,-0.4 0.955 119.3 44.6 -63.3 -39.8 25.4 35.2 7.9 207 215 A A H <5S+ 0 0 5 -4,-4.1 5,-0.2 -5,-0.2 -2,-0.2 0.966 127.4 28.5 -63.8 -51.5 21.8 36.4 8.8 208 216 A K H X5S+ 0 0 5 -4,-4.7 4,-0.6 -5,-0.3 -3,-0.2 0.980 139.7 16.8 -76.1 -61.2 20.4 32.9 9.0 209 217 A V H X>< S+ 0 0 0 -4,-1.9 3,-1.1 -3,-0.2 5,-0.3 0.988 110.7 41.9 -69.8 -63.6 22.7 33.7 19.4 216 224 A L T 3< S+ 0 0 4 -4,-1.2 -1,-0.2 1,-0.3 -3,-0.1 0.441 97.7 77.2 -73.6 2.3 22.1 30.1 20.7 217 225 A R T 3 S+ 0 0 146 -3,-0.2 2,-0.3 -5,-0.2 -1,-0.3 0.210 91.0 65.0 -99.6 18.2 25.7 29.6 21.8 218 226 A S S X S- 0 0 38 -3,-1.1 3,-1.1 -59,-0.0 4,-0.2 -0.903 87.1-120.0-129.7 159.0 25.2 31.7 24.9 219 227 A R T 3 S+ 0 0 167 -2,-0.3 -60,-0.2 1,-0.2 3,-0.1 0.232 94.4 97.8 -82.3 12.7 23.0 31.4 28.0 220 228 A A T 3 S+ 0 0 1 -5,-0.3 -1,-0.2 -62,-0.2 -61,-0.1 0.719 85.0 49.8 -67.3 -20.4 21.4 34.6 26.9 221 229 A I S < S+ 0 0 2 -3,-1.1 -183,-0.2 -6,-0.2 -1,-0.2 0.692 92.5 90.2 -91.9 -21.8 18.8 32.2 25.5 222 230 A F 0 0 49 -4,-0.2 -3,-0.0 -188,-0.1 0, 0.0 -0.469 360.0 360.0 -82.9 150.0 18.1 30.1 28.5 223 231 A G 0 0 69 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.452 360.0 360.0 -85.1 360.0 15.5 30.9 31.2