==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTON TRANSPORT 22-APR-02 1IW6 . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR T.KOUYAMA,H.OKUMURA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 227 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10391.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 87.7 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 2.6 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 0.4 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 . 11 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.1 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 1 0 1 0 0 0 0 0 0 0 0 0 1 1 0 1 0 2 1 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 . 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 2,-0.6 0, 0.0 196,-0.1 0.000 360.0 360.0 360.0-168.8 32.7 23.6 4.3 2 6 A G + 0 0 24 1,-0.1 60,-0.0 2,-0.1 72,-0.0 -0.883 360.0 75.2-120.0 109.1 31.6 26.4 6.6 3 7 A R S > S+ 0 0 165 -2,-0.6 3,-1.4 0, 0.0 4,-0.2 0.165 82.5 58.4-165.9 -53.2 28.4 28.4 6.1 4 8 A P T 3 S+ 0 0 73 0, 0.0 3,-0.5 0, 0.0 4,-0.1 0.663 101.8 58.6 -69.1 -16.4 25.2 26.4 7.1 5 9 A E T >> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.1 3,-1.0 0.410 73.6 105.1 -91.6 3.8 26.4 25.9 10.6 6 10 A W H <> S+ 0 0 129 -3,-1.4 4,-2.4 1,-0.3 -1,-0.2 0.813 72.8 60.2 -51.7 -33.6 26.6 29.6 11.1 7 11 A I H 3> S+ 0 0 75 -3,-0.5 4,-1.9 2,-0.2 -1,-0.3 0.862 104.4 45.8 -67.6 -36.2 23.4 29.5 13.2 8 12 A W H <> S+ 0 0 67 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.848 113.9 50.6 -74.9 -31.7 24.9 27.2 15.9 9 13 A L H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.900 111.5 47.7 -70.3 -38.6 28.0 29.3 16.0 10 14 A A H X S+ 0 0 27 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.886 113.6 46.9 -69.1 -38.4 25.9 32.5 16.4 11 15 A L H X S+ 0 0 76 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.893 112.5 49.8 -70.0 -41.3 23.8 30.9 19.1 12 16 A G H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.935 110.5 50.2 -62.6 -45.4 26.9 29.6 20.9 13 17 A T H X S+ 0 0 13 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.950 113.8 46.4 -55.9 -48.5 28.5 33.1 20.7 14 18 A A H X S+ 0 0 47 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.932 113.3 47.1 -61.0 -48.8 25.3 34.5 22.1 15 19 A L H X S+ 0 0 63 -4,-3.2 4,-2.3 2,-0.2 -1,-0.2 0.890 113.9 46.4 -63.8 -41.2 24.9 32.0 24.9 16 20 A M H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.951 113.8 51.5 -65.6 -44.2 28.6 32.2 26.0 17 21 A G H X S+ 0 0 16 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.929 113.6 41.3 -56.5 -51.4 28.2 36.0 25.9 18 22 A L H X S+ 0 0 113 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.863 112.6 57.1 -65.6 -35.6 25.1 36.2 28.0 19 23 A G H X S+ 0 0 6 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.887 107.5 47.2 -62.7 -38.9 26.6 33.5 30.3 20 24 A T H X S+ 0 0 19 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.965 112.1 49.8 -66.1 -50.2 29.7 35.7 30.9 21 25 A L H X S+ 0 0 101 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.903 110.7 50.4 -55.3 -43.9 27.5 38.8 31.6 22 26 A Y H < S+ 0 0 90 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.947 112.1 44.8 -61.8 -50.8 25.3 36.9 34.0 23 27 A F H >X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 3,-0.8 0.897 114.2 51.2 -61.4 -40.7 28.3 35.5 36.1 24 28 A L H >< S+ 0 0 97 -4,-3.0 2,-1.2 1,-0.3 3,-0.6 0.940 107.9 52.6 -58.8 -47.9 29.9 38.9 36.1 25 29 A V T 3< S+ 0 0 93 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.270 112.3 46.7 -83.7 46.8 26.7 40.5 37.3 26 30 A K T <4 S+ 0 0 67 -2,-1.2 -1,-0.2 -3,-0.8 3,-0.2 0.327 104.8 53.6-155.9 -26.9 26.5 38.1 40.2 27 31 A G S X< S+ 0 0 22 -4,-1.2 3,-1.2 -3,-0.6 -2,-0.2 0.324 80.3 102.4 -98.3 7.0 30.0 38.1 41.6 28 32 A M T 3 S+ 0 0 144 -4,-0.4 2,-0.2 1,-0.3 -1,-0.2 0.918 84.0 37.6 -57.2 -50.3 29.9 41.9 42.0 29 33 A G T 3 S+ 0 0 80 -3,-0.2 2,-0.7 2,-0.0 -1,-0.3 -0.192 85.2 130.4 -97.9 45.4 29.3 42.1 45.7 30 34 A V < + 0 0 27 -3,-1.2 -3,-0.0 -2,-0.2 -4,-0.0 -0.869 23.1 168.0-105.0 115.8 31.4 39.1 46.7 31 35 A S + 0 0 107 -2,-0.7 -1,-0.2 4,-0.0 -4,-0.0 0.745 46.4 102.6 -93.6 -29.2 33.9 39.7 49.5 32 36 A D > - 0 0 41 1,-0.2 4,-3.0 2,-0.1 5,-0.2 -0.420 63.1-149.5 -62.6 115.5 34.9 36.1 50.3 33 37 A P H > S+ 0 0 74 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.786 97.8 51.5 -56.5 -29.6 38.3 35.5 48.8 34 38 A D H > S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.952 112.5 43.4 -71.7 -50.3 37.5 31.9 48.2 35 39 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.889 109.6 60.1 -59.8 -40.1 34.2 32.6 46.5 36 40 A K H X S+ 0 0 114 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.904 102.8 51.1 -52.9 -48.5 36.1 35.4 44.6 37 41 A K H X S+ 0 0 108 -4,-1.5 4,-3.1 2,-0.2 5,-0.3 0.955 109.6 49.7 -56.1 -51.6 38.4 32.7 43.1 38 42 A F H X S+ 0 0 10 -4,-1.8 4,-2.8 187,-0.2 5,-0.2 0.910 112.7 46.9 -56.5 -45.2 35.4 30.6 42.0 39 43 A Y H X S+ 0 0 20 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.925 112.9 49.2 -64.1 -43.7 33.8 33.5 40.3 40 44 A A H X S+ 0 0 54 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.968 116.9 40.8 -61.3 -49.9 37.0 34.6 38.6 41 45 A I H X S+ 0 0 17 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.962 118.8 45.0 -59.9 -55.3 37.7 31.1 37.3 42 46 A T H < S+ 0 0 2 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.745 112.0 51.6 -62.2 -31.3 34.2 30.3 36.3 43 47 A T H X S+ 0 0 15 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.882 105.7 55.0 -75.9 -38.0 33.5 33.6 34.6 44 48 A L H X S+ 0 0 93 -4,-1.9 4,-2.3 -5,-0.3 5,-0.3 0.768 96.8 68.1 -65.7 -25.5 36.6 33.5 32.5 45 49 A V H X S+ 0 0 1 -4,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.978 107.5 33.9 -61.9 -55.8 35.6 30.1 31.1 46 50 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.867 114.0 61.5 -68.9 -29.8 32.6 31.4 29.1 47 51 A A H X S+ 0 0 26 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.925 109.0 41.6 -59.9 -44.8 34.4 34.7 28.3 48 52 A I H X S+ 0 0 38 -4,-2.3 4,-2.0 2,-0.2 5,-0.3 0.941 112.3 54.6 -67.4 -45.8 37.1 32.8 26.5 49 53 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.880 105.1 56.9 -54.1 -38.3 34.5 30.5 24.9 50 54 A F H X S+ 0 0 78 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.944 106.2 46.9 -58.2 -52.1 32.7 33.7 23.6 51 55 A T H X S+ 0 0 68 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.866 115.1 45.6 -61.0 -38.4 35.8 35.0 21.8 52 56 A M H X S+ 0 0 40 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.886 111.0 51.5 -75.8 -36.5 36.5 31.7 20.1 53 57 A Y H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 3,-0.3 0.926 110.3 51.6 -63.0 -40.1 32.9 31.1 19.1 54 58 A L H X S+ 0 0 59 -4,-2.4 4,-2.5 1,-0.2 6,-0.2 0.869 105.7 54.0 -63.5 -37.4 32.9 34.6 17.6 55 59 A S H <>S+ 0 0 15 -4,-1.6 6,-2.3 1,-0.2 5,-0.9 0.825 110.3 47.8 -66.4 -30.8 36.1 33.9 15.6 56 60 A M H ><5S+ 0 0 2 -4,-1.5 3,-0.8 -3,-0.3 -2,-0.2 0.893 110.9 49.6 -75.8 -41.2 34.4 30.8 14.1 57 61 A L H 3<5S+ 0 0 58 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.937 114.0 46.0 -61.5 -46.1 31.2 32.7 13.3 58 62 A L T 3<5S- 0 0 127 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.471 117.8-115.2 -76.1 -4.2 33.3 35.4 11.5 59 63 A G T X 5S+ 0 0 38 -3,-0.8 3,-1.2 -4,-0.1 -3,-0.2 0.256 88.2 108.3 91.5 -13.8 35.3 32.7 9.8 60 64 A Y T 3 +A 62 0A 9 -2,-0.6 3,-0.7 -13,-0.2 4,-0.3 -0.666 21.6 174.8 -79.8 95.3 37.4 24.8 13.1 76 80 A W T >> + 0 0 75 -2,-1.4 4,-1.1 -15,-0.8 3,-1.0 0.668 62.9 82.8 -76.7 -17.0 40.7 25.1 14.9 77 81 A A H 3> S+ 0 0 0 -16,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.804 78.0 69.9 -58.0 -30.3 39.4 27.8 17.3 78 82 A R H <> S+ 0 0 1 -3,-0.7 4,-3.2 -17,-0.3 -1,-0.2 0.904 98.8 47.6 -54.5 -44.5 37.9 25.0 19.5 79 83 A Y H <> S+ 0 0 6 -3,-1.0 4,-2.7 -4,-0.3 -1,-0.2 0.903 108.5 53.3 -66.0 -40.5 41.4 23.9 20.6 80 84 A A H X S+ 0 0 31 -4,-1.1 4,-0.8 2,-0.2 5,-0.2 0.908 114.9 44.1 -57.9 -42.0 42.5 27.5 21.3 81 85 A D H >X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-1.2 0.991 115.8 44.3 -63.2 -66.5 39.4 27.7 23.5 82 86 A W H 3X S+ 0 0 18 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.748 99.7 72.1 -54.4 -30.4 39.7 24.4 25.2 83 87 A L H 3< S+ 0 0 72 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.902 117.7 18.0 -55.9 -42.6 43.4 24.8 25.8 84 88 A F H S+ 0 0 21 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.904 107.5 54.0 -67.0 -39.0 42.2 23.5 32.7 88 92 A L H X S+ 0 0 34 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.921 108.1 49.3 -59.9 -44.4 40.1 26.3 34.4 89 93 A L H X S+ 0 0 5 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.935 111.1 49.9 -59.8 -44.4 37.2 24.0 34.8 90 94 A L H X S+ 0 0 5 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.894 107.0 55.6 -61.4 -38.5 39.6 21.4 36.3 91 95 A L H X S+ 0 0 57 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.871 103.7 54.1 -61.8 -37.9 40.9 24.1 38.7 92 96 A D H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.949 110.0 47.1 -60.4 -48.6 37.3 24.8 39.9 93 97 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.911 112.0 51.0 -59.3 -42.0 37.0 21.1 40.8 94 98 A A H X>S+ 0 0 3 -4,-2.4 5,-2.2 2,-0.2 4,-1.2 0.894 110.5 46.6 -64.9 -43.3 40.4 21.1 42.5 95 99 A L H <5S+ 0 0 63 -4,-2.5 3,-0.2 2,-0.2 -1,-0.2 0.915 109.7 54.8 -65.5 -41.8 39.7 24.2 44.7 96 100 A L H <5S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.871 119.8 32.7 -58.8 -35.3 36.3 22.8 45.7 97 101 A V H <5S- 0 0 1 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.513 106.6-124.5-100.3 -8.2 38.0 19.6 46.8 98 102 A D T <5 - 0 0 111 -4,-1.2 -3,-0.2 -3,-0.2 -4,-0.1 0.939 39.5-165.9 62.3 49.3 41.2 21.2 48.0 99 103 A A < - 0 0 14 -5,-2.2 -1,-0.1 1,-0.1 2,-0.1 -0.204 24.3 -95.5 -64.7 156.4 43.4 18.9 45.8 100 104 A D > - 0 0 97 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.392 29.7-119.9 -70.3 149.2 47.2 18.6 46.3 101 105 A Q H > S+ 0 0 175 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.895 113.0 58.2 -57.7 -40.0 49.4 20.8 44.1 102 106 A G H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 108.1 43.5 -57.9 -45.4 50.9 17.7 42.7 103 107 A T H > S+ 0 0 36 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.899 110.9 55.0 -70.9 -33.9 47.6 16.3 41.4 104 108 A I H X S+ 0 0 40 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.929 110.3 47.0 -61.8 -44.6 46.5 19.7 40.1 105 109 A L H X S+ 0 0 132 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.909 111.8 50.0 -64.2 -40.8 49.8 19.9 38.1 106 110 A A H X S+ 0 0 38 -4,-2.2 4,-3.2 -5,-0.2 5,-0.2 0.942 113.0 47.8 -62.0 -45.2 49.3 16.3 36.8 107 111 A L H X S+ 0 0 4 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.936 113.2 45.5 -61.7 -47.5 45.7 17.2 35.8 108 112 A V H X S+ 0 0 59 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.921 115.6 48.7 -63.5 -42.4 46.6 20.5 34.0 109 113 A G H X S+ 0 0 35 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.947 111.4 47.8 -62.4 -48.1 49.5 18.7 32.3 110 114 A A H X S+ 0 0 13 -4,-3.2 4,-2.3 -5,-0.2 -1,-0.2 0.926 113.4 50.5 -58.2 -41.6 47.3 15.8 31.2 111 115 A D H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.909 107.3 51.1 -63.3 -44.9 44.7 18.3 30.0 112 116 A G H X S+ 0 0 28 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.916 111.9 48.1 -60.1 -41.9 47.3 20.3 27.9 113 117 A I H X S+ 0 0 96 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.912 109.0 54.5 -63.3 -42.6 48.4 17.1 26.2 114 118 A M H X S+ 0 0 16 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.943 116.7 35.8 -57.1 -49.3 44.8 16.1 25.6 115 119 A I H X S+ 0 0 11 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.933 119.0 48.5 -73.4 -44.8 44.1 19.4 23.8 116 120 A G H X S+ 0 0 30 -4,-3.1 4,-2.4 -5,-0.3 -2,-0.2 0.935 114.6 46.4 -59.6 -47.0 47.4 19.8 22.1 117 121 A T H X S+ 0 0 17 -4,-3.0 4,-2.0 -5,-0.3 -1,-0.2 0.850 111.8 52.2 -62.8 -35.2 47.3 16.3 20.9 118 122 A G H X S+ 0 0 10 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.2 0.814 108.9 50.4 -71.5 -29.3 43.7 16.8 19.7 119 123 A L H X S+ 0 0 56 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.934 108.2 51.3 -72.2 -47.5 44.8 19.9 17.8 120 124 A V H X S+ 0 0 64 -4,-2.4 4,-0.7 1,-0.2 3,-0.4 0.921 110.0 51.2 -55.2 -44.3 47.6 18.1 16.1 121 125 A G H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.910 106.8 52.9 -60.6 -42.6 45.2 15.4 15.1 122 126 A A H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.765 115.2 41.1 -64.4 -27.0 42.7 17.8 13.6 123 127 A L H 3< S+ 0 0 69 -4,-1.5 -1,-0.2 -3,-0.4 2,-0.2 0.412 86.1 117.9-103.2 1.7 45.4 19.4 11.4 124 128 A T << - 0 0 25 -3,-0.9 6,-0.1 -4,-0.7 -59,-0.0 -0.501 51.0-154.6 -74.5 135.4 47.3 16.2 10.3 125 129 A K S S+ 0 0 142 -2,-0.2 2,-1.1 1,-0.1 -57,-0.5 0.680 75.6 80.8 -83.3 -20.1 47.3 15.5 6.6 126 130 A V S >> S- 0 0 72 1,-0.2 3,-1.9 -59,-0.1 4,-1.1 -0.755 73.0-151.7 -91.0 97.4 47.7 11.7 6.7 127 131 A Y H 3> S+ 0 0 85 -2,-1.1 4,-0.6 1,-0.3 3,-0.4 0.782 92.2 53.6 -33.3 -48.8 44.1 10.6 7.4 128 132 A S H >> S+ 0 0 84 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.862 103.8 55.5 -61.0 -38.5 45.3 7.4 9.2 129 133 A Y H X> S+ 0 0 134 -3,-1.9 4,-1.8 1,-0.2 3,-0.8 0.810 91.0 72.9 -66.4 -30.9 47.5 9.3 11.6 130 134 A R H 3X S+ 0 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0 0 67 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.965 115.6 46.3 -64.4 -51.6 26.9 17.0 40.7 170 174 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.908 111.5 54.2 -56.5 -41.8 29.7 18.8 39.0 171 175 A R H X S+ 0 0 29 -4,-3.4 4,-2.3 -5,-0.3 5,-0.2 0.935 109.9 45.0 -59.0 -48.0 31.7 15.6 38.9 172 176 A N H X S+ 0 0 72 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.884 112.6 52.2 -65.1 -38.7 28.8 13.7 37.1 173 177 A V H X S+ 0 0 40 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.903 113.5 42.0 -65.7 -43.1 28.2 16.5 34.7 174 178 A T H X S+ 0 0 2 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.896 112.7 52.1 -75.0 -37.6 31.8 16.8 33.5 175 179 A V H X S+ 0 0 34 -4,-2.3 4,-1.5 -5,-0.3 -2,-0.2 0.961 117.0 39.7 -61.6 -47.6 32.5 13.1 33.3 176 180 A V H < S+ 0 0 99 -4,-1.9 4,-0.5 -5,-0.2 -2,-0.2 0.949 120.9 42.8 -65.7 -49.6 29.5 12.5 31.1 177 181 A L H >X S+ 0 0 30 -4,-2.2 3,-1.2 -5,-0.2 4,-0.7 0.917 111.8 52.3 -64.2 -47.4 29.9 15.7 29.0 178 182 A W H >< S+ 0 0 14 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.877 103.6 57.5 -58.9 -40.1 33.6 15.5 28.5 179 183 A S T 3X S+ 0 0 45 -4,-1.5 4,-0.7 -5,-0.3 -1,-0.3 0.657 96.8 65.0 -68.5 -12.3 33.5 11.9 27.2 180 184 A A H <> S+ 0 0 30 -3,-1.2 4,-2.8 -4,-0.5 -1,-0.2 0.810 88.6 69.0 -78.6 -28.5 31.1 12.9 24.4 181 185 A Y H S+ 0 0 22 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.883 113.4 50.5 -62.0 -32.7 36.0 12.4 21.5 183 187 A V H X S+ 0 0 82 -4,-0.7 4,-2.2 2,-0.2 5,-0.2 0.949 111.6 46.6 -67.1 -48.8 33.0 10.6 20.2 184 188 A V H X S+ 0 0 11 -4,-2.8 4,-1.5 1,-0.2 7,-0.2 0.924 115.0 48.1 -57.5 -46.0 31.7 13.7 18.3 185 189 A W H < S+ 0 0 14 -4,-3.0 6,-0.7 -5,-0.2 5,-0.3 0.936 110.0 51.5 -60.0 -49.2 35.2 14.3 17.0 186 190 A L H < S+ 0 0 58 -4,-2.7 6,-2.3 1,-0.2 -1,-0.2 0.874 119.9 34.3 -58.6 -40.0 35.6 10.7 15.8 187 191 A I H < S+ 0 0 47 -4,-2.2 8,-2.5 4,-0.2 7,-0.7 0.573 110.7 78.2 -93.4 -8.7 32.3 10.6 13.9 188 192 A G S >< S- 0 0 0 -4,-1.5 3,-0.7 -3,-0.3 6,-0.3 0.134 105.8 -71.5 -84.1-158.7 32.4 14.2 12.8 189 193 A S T 3 S+ 0 0 19 1,-0.2 4,-0.2 4,-0.2 -4,-0.1 0.664 126.7 62.0 -71.6 -18.1 34.3 16.1 10.0 190 194 A E T 3 S+ 0 0 2 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5,-0.2 0.906 103.6 49.9 -62.2 -43.6 28.5 18.3 14.6 201 205 A T H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.813 109.7 52.4 -66.4 -29.0 28.6 22.1 15.3 202 206 A L H X S+ 0 0 44 -4,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.880 109.0 49.9 -74.1 -37.4 25.2 21.7 17.0 203 207 A L H X S+ 0 0 59 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.955 111.0 47.2 -65.7 -49.4 26.5 18.9 19.2 204 208 A F H X S+ 0 0 0 -4,-2.5 4,-3.9 1,-0.2 5,-0.2 0.867 110.2 55.4 -60.5 -36.0 29.7 20.8 20.3 205 209 A M H X S+ 0 0 6 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.917 109.5 43.7 -63.2 -46.4 27.5 23.8 21.0 206 210 A V H X S+ 0 0 74 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.926 118.0 46.9 -64.4 -44.2 25.2 22.0 23.4 207 211 A L H X S+ 0 0 23 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.946 114.6 46.2 -61.0 -52.5 28.2 20.2 25.0 208 212 A D H X S+ 0 0 1 -4,-3.9 4,-0.9 1,-0.2 5,-0.3 0.947 114.6 45.8 -58.1 -52.0 30.2 23.5 25.3 209 213 A V H X>S+ 0 0 25 -4,-2.7 5,-1.9 -5,-0.2 4,-0.9 0.880 116.9 45.7 -61.4 -38.2 27.3 25.5 26.7 210 214 A S H <>S+ 0 0 48 -4,-2.2 5,-1.4 -5,-0.3 -2,-0.2 0.929 111.8 50.6 -70.1 -45.5 26.4 22.7 29.1 211 215 A A H <5S+ 0 0 5 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.554 127.7 21.7 -69.9 -8.0 29.9 22.1 30.3 212 216 A K H X5S+ 0 0 6 -4,-0.9 4,-3.5 -3,-0.4 5,-0.2 0.662 130.5 31.4-122.4 -67.8 30.5 25.8 31.0 213 217 A V H X5S+ 0 0 22 -4,-0.9 4,-3.1 -5,-0.3 -3,-0.2 0.959 127.1 43.4 -60.9 -50.4 27.4 27.9 31.6 214 218 A G H >< S+ 0 0 0 -4,-2.5 3,-1.7 -5,-0.2 6,-0.4 0.962 115.7 46.8 -75.2 -55.4 28.6 25.9 41.0 220 224 A L H 3< S+ 0 0 4 -4,-3.6 -3,-0.2 1,-0.3 -1,-0.2 0.632 109.5 55.1 -66.7 -13.6 28.0 29.6 41.4 221 225 A R T 3< S+ 0 0 171 -4,-1.5 -1,-0.3 -5,-0.3 2,-0.2 0.274 97.0 78.9-102.7 11.6 24.4 29.2 42.7 222 226 A S S < S- 0 0 26 -3,-1.7 3,-0.5 -5,-0.1 -59,-0.0 -0.699 82.0-126.4-110.7 166.1 25.4 26.9 45.6 223 227 A R S > S+ 0 0 143 -2,-0.2 3,-2.0 1,-0.2 -60,-0.1 0.436 90.2 97.1 -89.5 -0.6 27.0 27.8 48.9 224 228 A A T 3 S+ 0 0 3 1,-0.3 -1,-0.2 -62,-0.2 -61,-0.1 0.834 71.7 65.2 -56.4 -34.3 29.8 25.4 48.2 225 229 A I T 3 S+ 0 0 1 -3,-0.5 -1,-0.3 -6,-0.4 -187,-0.2 0.521 90.5 84.3 -68.6 -5.6 32.0 28.2 46.9 226 230 A F < 0 0 67 -3,-2.0 -63,-0.0 -192,-0.1 -3,-0.0 -0.631 360.0 360.0 -97.8 157.3 32.1 29.8 50.4 227 231 A G 0 0 85 -2,-0.2 -2,-0.1 0, 0.0 -1,-0.1 -0.559 360.0 360.0 -72.8 360.0 34.4 28.9 53.2