==== 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 17-APR-03 1UCQ . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR T.KOUYAMA,T.NISHIKAWA,T.TOKUHISA,H.OKUMURA . 227 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 90.3 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 . 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 . 13 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.5 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 3 1 0 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 0 115 0, 0.0 2,-0.7 0, 0.0 196,-0.1 0.000 360.0 360.0 360.0 173.9 32.5 23.3 4.3 2 6 A G + 0 0 22 1,-0.1 60,-0.0 2,-0.1 72,-0.0 -0.828 360.0 72.5-106.0 110.3 31.7 26.2 6.7 3 7 A R S > S+ 0 0 165 -2,-0.7 3,-1.6 0, 0.0 4,-0.2 0.108 81.7 61.1-168.4 -56.9 28.6 28.3 6.2 4 8 A P T 3 S+ 0 0 73 0, 0.0 3,-0.4 0, 0.0 4,-0.1 0.565 100.5 58.7 -65.2 -12.0 25.3 26.5 7.1 5 9 A E T >> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.1 3,-1.6 0.453 72.1 105.9 -95.4 -2.9 26.4 26.0 10.7 6 10 A W H <> S+ 0 0 126 -3,-1.6 4,-1.8 1,-0.3 -1,-0.2 0.795 75.0 58.3 -44.0 -35.5 26.7 29.8 11.1 7 11 A I H 3> S+ 0 0 70 -3,-0.4 4,-1.7 2,-0.2 -1,-0.3 0.837 104.1 47.0 -69.8 -34.7 23.5 29.7 13.2 8 12 A W H <> S+ 0 0 68 -3,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.818 115.2 48.1 -75.7 -29.3 24.7 27.3 15.8 9 13 A L H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 48,-0.2 0.813 111.8 49.6 -77.2 -32.3 27.9 29.4 16.1 10 14 A A H X S+ 0 0 27 -4,-1.8 4,-1.3 -5,-0.3 -2,-0.2 0.835 115.2 42.7 -75.1 -34.6 25.9 32.6 16.4 11 15 A L H X S+ 0 0 75 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.759 114.1 51.8 -81.4 -28.4 23.6 31.2 19.1 12 16 A G H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.935 108.9 51.3 -70.9 -44.6 26.6 29.6 20.8 13 17 A T H X S+ 0 0 13 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.868 111.3 48.4 -57.9 -39.9 28.3 33.0 20.7 14 18 A A H X S+ 0 0 46 -4,-1.3 4,-2.6 2,-0.2 5,-0.3 0.953 109.9 48.9 -69.0 -49.8 25.3 34.7 22.3 15 19 A L H X S+ 0 0 68 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.835 112.3 50.9 -60.5 -32.6 24.8 32.2 25.1 16 20 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.989 111.2 46.5 -67.0 -57.1 28.5 32.5 26.0 17 21 A G H X S+ 0 0 17 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.846 117.0 42.8 -52.7 -42.6 28.4 36.3 26.1 18 22 A L H X S+ 0 0 109 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.919 111.5 56.2 -70.6 -41.5 25.3 36.4 28.2 19 23 A G H X S+ 0 0 6 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.859 109.2 47.0 -55.9 -37.1 26.7 33.6 30.3 20 24 A T H X S+ 0 0 16 -4,-2.5 4,-2.5 26,-0.2 -1,-0.2 0.943 112.7 49.6 -69.4 -46.4 29.7 35.8 30.9 21 25 A L H X S+ 0 0 98 -4,-2.2 4,-3.7 2,-0.2 -2,-0.2 0.919 110.2 48.0 -58.0 -51.1 27.4 38.9 31.7 22 26 A Y H < S+ 0 0 92 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.918 115.0 45.5 -58.5 -45.9 25.2 37.1 34.2 23 27 A F H >X S+ 0 0 1 -4,-1.5 4,-1.1 -5,-0.3 3,-0.5 0.881 115.8 47.4 -65.9 -39.6 28.2 35.6 36.1 24 28 A L H >< S+ 0 0 94 -4,-2.5 2,-2.2 1,-0.3 3,-0.9 0.977 111.1 50.9 -64.1 -54.9 30.0 38.9 36.0 25 29 A V T 3< S+ 0 0 94 -4,-3.7 -1,-0.3 1,-0.2 -2,-0.1 -0.363 111.9 48.1 -84.5 59.3 26.9 40.8 37.2 26 30 A K T <4 S+ 0 0 73 -2,-2.2 -1,-0.2 -3,-0.5 3,-0.2 0.227 103.6 54.1-157.9 -37.1 26.3 38.5 40.1 27 31 A G S X< S+ 0 0 19 -4,-1.1 3,-0.8 -3,-0.9 -2,-0.1 0.184 79.5 100.4 -97.1 18.7 29.7 38.2 41.7 28 32 A M T 3 S+ 0 0 146 1,-0.2 -1,-0.2 -4,-0.2 -3,-0.1 0.948 82.8 41.9 -69.5 -50.5 30.2 41.9 42.1 29 33 A G T 3 S+ 0 0 81 -3,-0.2 2,-0.6 2,-0.0 -1,-0.2 0.055 85.6 126.9 -86.8 28.8 29.2 42.3 45.8 30 34 A V < + 0 0 23 -3,-0.8 -3,-0.0 1,-0.2 -4,-0.0 -0.770 26.8 169.0 -91.7 120.0 31.1 39.2 46.8 31 35 A S + 0 0 105 -2,-0.6 -1,-0.2 4,-0.0 -4,-0.0 0.753 42.7 107.4 -98.8 -31.1 33.6 39.7 49.6 32 36 A D > - 0 0 34 1,-0.2 4,-3.3 2,-0.1 3,-0.4 -0.323 65.9-143.8 -55.1 114.3 34.5 36.2 50.5 33 37 A P T 4 S+ 0 0 84 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.638 99.3 50.2 -57.1 -15.8 38.1 35.7 49.1 34 38 A D T > S+ 0 0 68 2,-0.2 4,-2.1 3,-0.1 3,-0.2 0.854 112.6 42.6 -88.3 -44.8 37.2 32.1 48.2 35 39 A A H > S+ 0 0 0 -3,-0.4 4,-3.0 1,-0.2 5,-0.3 0.930 108.6 60.8 -65.4 -44.9 34.0 32.9 46.3 36 40 A K H X S+ 0 0 116 -4,-3.3 4,-1.3 1,-0.2 -1,-0.2 0.799 108.1 46.4 -51.0 -29.8 35.8 35.8 44.7 37 41 A K H > S+ 0 0 103 -5,-0.3 4,-2.5 -3,-0.2 5,-0.3 0.935 108.9 51.6 -78.8 -50.3 38.1 33.1 43.3 38 42 A F H X S+ 0 0 12 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.853 110.4 50.8 -56.3 -36.6 35.4 30.7 42.2 39 43 A Y H X S+ 0 0 19 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.947 108.4 52.6 -69.1 -42.9 33.7 33.6 40.3 40 44 A A H X S+ 0 0 53 -4,-1.3 4,-1.9 -5,-0.3 -2,-0.2 0.951 114.9 38.7 -56.7 -54.1 37.0 34.5 38.6 41 45 A I H X S+ 0 0 15 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.953 120.8 46.2 -61.8 -48.1 37.7 31.0 37.3 42 46 A T H < S+ 0 0 3 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.809 112.3 49.2 -65.2 -34.2 34.1 30.4 36.4 43 47 A T H X S+ 0 0 17 -4,-3.1 4,-1.4 -5,-0.2 -1,-0.2 0.846 106.1 58.1 -75.0 -35.0 33.5 33.7 34.8 44 48 A L H X S+ 0 0 90 -4,-1.9 4,-1.8 -5,-0.3 5,-0.2 0.746 94.1 66.6 -66.8 -27.0 36.6 33.4 32.6 45 49 A V H X S+ 0 0 7 -4,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.968 106.9 37.1 -63.3 -53.4 35.5 30.2 31.0 46 50 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.867 111.8 60.5 -65.6 -32.5 32.6 31.7 29.1 47 51 A A H X S+ 0 0 30 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.883 111.3 41.5 -60.4 -37.9 34.5 34.9 28.4 48 52 A I H X S+ 0 0 33 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.956 112.2 51.7 -74.4 -52.5 37.0 32.8 26.5 49 53 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.849 108.0 57.5 -53.4 -32.6 34.5 30.6 24.8 50 54 A F H X S+ 0 0 76 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.980 105.8 45.5 -61.9 -58.2 32.8 33.8 23.7 51 55 A T H X S+ 0 0 68 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.874 117.3 46.6 -53.6 -40.1 35.8 35.2 21.9 52 56 A M H X S+ 0 0 34 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.895 111.2 48.2 -73.6 -40.2 36.5 31.9 20.2 53 57 A Y H >X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.2 3,-0.6 0.937 110.8 53.8 -64.2 -43.1 32.9 31.2 19.1 54 58 A L H 3X S+ 0 0 58 -4,-2.9 4,-2.5 1,-0.3 -1,-0.2 0.840 105.1 54.0 -57.6 -34.8 32.8 34.7 17.7 55 59 A S H 3<>S+ 0 0 13 -4,-1.3 6,-1.9 -5,-0.2 5,-1.6 0.812 110.1 47.2 -70.6 -28.8 36.0 33.9 15.8 56 60 A M H X<5S+ 0 0 3 -4,-1.3 3,-1.5 -3,-0.6 -2,-0.2 0.928 111.6 49.5 -77.2 -44.3 34.2 30.9 14.3 57 61 A L H 3<5S+ 0 0 57 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.893 112.8 47.8 -59.4 -41.4 31.1 32.9 13.5 58 62 A L T 3<5S- 0 0 123 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.426 117.4-117.9 -79.5 0.8 33.3 35.5 11.8 59 63 A G T X 5S+ 0 0 41 -3,-1.5 3,-0.7 -5,-0.1 -3,-0.2 0.444 86.1 110.4 79.8 1.1 35.1 32.7 9.9 60 64 A Y T 3 +A 62 0A 9 -2,-0.5 3,-1.0 -13,-0.2 4,-0.3 -0.703 19.9 175.4 -85.1 91.9 37.6 24.8 13.2 76 80 A W T >> + 0 0 78 -2,-1.3 3,-1.2 -15,-0.7 4,-1.2 0.765 65.8 81.0 -69.6 -25.3 40.9 25.1 15.0 77 81 A A H 3> S+ 0 0 0 -16,-1.6 4,-1.6 1,-0.3 -1,-0.2 0.809 77.3 72.6 -51.3 -32.1 39.4 27.8 17.3 78 82 A R H <> S+ 0 0 5 -3,-1.0 4,-3.2 -17,-0.3 -1,-0.3 0.919 99.6 43.5 -52.1 -46.4 37.9 25.0 19.4 79 83 A Y H <> S+ 0 0 7 -3,-1.2 4,-3.2 -4,-0.3 -1,-0.2 0.884 106.8 57.9 -70.9 -34.3 41.2 24.0 20.8 80 84 A A H < S+ 0 0 34 -4,-1.2 4,-0.4 2,-0.2 -1,-0.2 0.816 115.0 43.2 -61.4 -26.4 42.4 27.6 21.4 81 85 A D H >X S+ 0 0 2 -4,-1.6 4,-2.5 -3,-0.2 3,-1.4 0.965 115.4 43.8 -78.9 -65.6 39.2 27.7 23.5 82 86 A W H 3X S+ 0 0 17 -4,-3.2 4,-3.3 1,-0.3 -2,-0.2 0.842 100.6 70.7 -50.0 -43.0 39.5 24.3 25.2 83 87 A L H 3< S+ 0 0 68 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.1 0.807 116.9 21.4 -46.4 -39.6 43.2 24.7 26.0 84 88 A F H <> S+ 0 0 123 -3,-1.4 4,-1.2 -4,-0.4 -1,-0.2 0.748 124.1 56.6 -99.9 -31.0 42.5 27.4 28.7 85 89 A T H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -3,-0.2 0.913 104.4 49.1 -69.0 -47.1 38.9 26.5 29.3 86 90 A T H X S+ 0 0 14 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.914 109.9 51.3 -63.5 -44.8 39.3 22.9 30.3 87 91 A P H > S+ 0 0 22 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.856 109.1 52.0 -58.9 -35.3 42.1 23.6 32.8 88 92 A L H X S+ 0 0 32 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.920 108.6 49.7 -67.0 -43.6 40.0 26.3 34.5 89 93 A L H X S+ 0 0 7 -4,-2.0 4,-1.7 1,-0.2 3,-0.4 0.945 110.5 50.8 -59.1 -47.0 37.1 23.9 34.9 90 94 A L H X S+ 0 0 7 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.899 107.3 54.5 -57.0 -41.0 39.5 21.4 36.4 91 95 A L H X S+ 0 0 52 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.848 102.5 56.8 -63.7 -34.8 40.7 24.1 38.8 92 96 A D H X S+ 0 0 2 -4,-1.8 4,-1.8 -3,-0.4 -1,-0.2 0.942 110.0 44.5 -61.6 -46.6 37.1 24.7 39.9 93 97 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.888 113.2 52.7 -63.3 -40.5 36.8 21.1 41.0 94 98 A A H X>S+ 0 0 2 -4,-2.2 5,-2.3 2,-0.2 4,-0.7 0.900 110.3 44.0 -65.5 -45.5 40.2 21.2 42.6 95 99 A L H <5S+ 0 0 58 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.893 113.6 53.5 -67.1 -38.3 39.7 24.2 44.8 96 100 A L H <5S+ 0 0 3 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.942 119.1 32.6 -58.9 -50.3 36.3 22.9 45.8 97 101 A V H <5S- 0 0 1 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.442 110.5-122.7 -89.9 -1.5 37.6 19.5 46.9 98 102 A D T <5 - 0 0 107 -4,-0.7 -3,-0.2 -5,-0.2 -4,-0.1 0.948 39.5-165.5 58.7 57.5 40.9 21.1 48.1 99 103 A A < - 0 0 18 -5,-2.3 2,-0.1 1,-0.1 -1,-0.1 -0.251 23.8 -96.5 -73.6 157.2 43.3 19.0 45.9 100 104 A D >> - 0 0 96 1,-0.1 4,-2.5 4,-0.0 3,-0.9 -0.458 28.2-123.9 -71.4 143.1 47.1 18.7 46.3 101 105 A Q H 3> S+ 0 0 174 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.767 113.5 59.0 -58.6 -25.2 49.2 21.0 44.1 102 106 A G H 3> S+ 0 0 54 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.853 107.9 42.8 -73.5 -34.2 50.9 17.9 42.8 103 107 A T H <> S+ 0 0 35 -3,-0.9 4,-2.9 2,-0.2 5,-0.2 0.880 112.5 53.0 -79.2 -35.7 47.6 16.5 41.6 104 108 A I H X S+ 0 0 37 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.951 109.8 49.1 -61.5 -48.3 46.5 19.8 40.1 105 109 A L H X S+ 0 0 126 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.883 112.0 49.4 -58.1 -39.4 49.7 20.1 38.2 106 110 A A H X S+ 0 0 39 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.940 112.7 45.8 -65.3 -49.1 49.3 16.5 36.9 107 111 A L H X S+ 0 0 4 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.842 113.2 51.2 -63.9 -33.7 45.7 17.1 35.8 108 112 A V H X S+ 0 0 56 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.831 113.1 44.3 -74.2 -29.5 46.7 20.4 34.2 109 113 A G H X S+ 0 0 39 -4,-1.7 4,-1.4 -5,-0.2 -2,-0.2 0.789 112.9 52.3 -80.4 -29.5 49.6 18.7 32.3 110 114 A A H X S+ 0 0 14 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.904 112.8 45.9 -69.0 -41.8 47.2 15.8 31.4 111 115 A D H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.4 0.928 107.4 54.1 -67.6 -51.7 44.7 18.3 30.0 112 116 A G H X S+ 0 0 26 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.904 111.5 47.9 -52.8 -40.4 47.2 20.4 28.0 113 117 A I H X S+ 0 0 96 -4,-1.4 4,-4.3 2,-0.2 5,-0.4 0.945 106.8 56.6 -65.0 -46.8 48.3 17.2 26.3 114 118 A M H X S+ 0 0 15 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.902 117.0 34.2 -51.2 -48.5 44.7 16.2 25.6 115 119 A I H X S+ 0 0 14 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.930 118.2 52.8 -75.8 -43.8 43.9 19.4 23.8 116 120 A G H X S+ 0 0 31 -4,-2.9 4,-2.1 -5,-0.4 -2,-0.2 0.939 114.7 42.2 -55.0 -47.7 47.4 19.7 22.3 117 121 A T H X S+ 0 0 15 -4,-4.3 4,-2.7 1,-0.2 -1,-0.2 0.884 113.4 53.3 -65.5 -40.5 47.2 16.2 20.9 118 122 A G H X S+ 0 0 10 -4,-1.8 4,-1.1 -5,-0.4 -1,-0.2 0.824 108.6 50.4 -64.9 -32.2 43.6 16.8 19.8 119 123 A L H X S+ 0 0 57 -4,-2.8 4,-0.9 2,-0.2 3,-0.3 0.921 110.7 47.6 -71.2 -44.5 44.7 19.9 17.9 120 124 A V H >X S+ 0 0 61 -4,-2.1 4,-1.3 1,-0.2 3,-1.1 0.922 109.1 56.0 -60.9 -42.6 47.5 18.0 16.2 121 125 A G H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.829 105.9 51.0 -59.4 -31.3 45.0 15.3 15.4 122 126 A A H 3< S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.639 115.5 40.2 -81.7 -15.1 42.8 17.8 13.7 123 127 A L H << S+ 0 0 68 -3,-1.1 2,-0.2 -4,-0.9 -2,-0.2 0.482 82.8 117.0-112.2 -5.8 45.5 19.3 11.5 124 128 A T < - 0 0 27 -4,-1.3 6,-0.1 1,-0.1 -59,-0.0 -0.473 53.3-151.7 -69.4 131.3 47.4 16.1 10.5 125 129 A K S S+ 0 0 140 -2,-0.2 2,-1.3 1,-0.1 -57,-0.5 0.675 76.6 84.1 -77.5 -20.9 47.3 15.5 6.7 126 130 A V S >> S- 0 0 71 1,-0.2 3,-1.2 -59,-0.1 4,-1.1 -0.696 71.8-153.7 -88.2 92.6 47.6 11.7 6.9 127 131 A Y H >> S+ 0 0 84 -2,-1.3 3,-0.7 1,-0.3 4,-0.6 0.771 91.6 51.1 -28.8 -52.9 44.0 10.7 7.5 128 132 A S H >> S+ 0 0 78 1,-0.2 3,-1.3 2,-0.2 4,-0.6 0.921 104.8 55.9 -57.6 -48.3 45.0 7.5 9.2 129 133 A Y H X> S+ 0 0 135 -3,-1.2 4,-1.8 1,-0.3 3,-0.6 0.726 90.9 73.6 -57.9 -27.5 47.4 9.2 11.6 130 134 A R H S+ 0 0 150 -4,-2.6 4,-2.1 -5,-0.2 5,-0.9 0.887 113.2 40.8 -64.8 -40.4 39.5 8.6 36.6 147 151 A V H <>S+ 0 0 21 -4,-1.7 5,-3.1 -5,-0.2 6,-0.3 0.893 115.0 50.1 -75.5 -42.7 41.1 11.1 39.0 148 152 A L H <>S+ 0 0 0 -4,-2.1 5,-1.1 3,-0.2 -2,-0.2 0.954 118.9 38.1 -60.3 -49.7 38.1 13.4 39.1 149 153 A F H <5S+ 0 0 76 -4,-2.6 -2,-0.2 3,-0.2 4,-0.2 0.927 134.9 16.9 -68.2 -51.7 35.6 10.6 39.7 150 154 A F T X5S+ 0 0 119 -4,-2.1 4,-1.3 -5,-0.3 -3,-0.2 0.928 130.4 41.6 -90.2 -56.9 37.6 8.4 42.1 151 155 A G H >>>< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.709 88.9 70.2 -77.7 -22.5 35.2 15.5 48.7 157 161 A E T 3< S+ 0 0 122 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.584 95.3 54.8 -72.3 -11.1 34.2 13.2 51.6 158 162 A S T < S+ 0 0 99 -3,-0.7 -1,-0.3 -4,-0.2 2,-0.2 0.245 95.4 84.0-105.7 11.8 36.2 15.3 54.0 159 163 A M S < S- 0 0 67 -3,-1.4 5,-0.1 1,-0.1 -62,-0.1 -0.656 95.2 -78.5-105.9 166.7 34.5 18.6 53.2 160 164 A R >> - 0 0 82 -2,-0.2 4,-1.9 1,-0.1 3,-1.2 -0.258 50.4-101.0 -63.2 151.5 31.1 19.8 54.6 161 165 A P H 3> S+ 0 0 111 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.830 119.9 58.3 -42.4 -45.3 28.0 18.3 53.2 162 166 A E H 3> S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 62,-0.2 0.905 111.5 42.8 -54.4 -42.3 27.2 21.3 50.9 163 167 A V H <> S+ 0 0 2 -3,-1.2 4,-3.1 2,-0.2 5,-0.2 0.948 111.7 51.1 -71.1 -48.7 30.6 20.9 49.1 164 168 A A H X S+ 0 0 11 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.888 115.4 44.1 -55.8 -41.2 30.5 17.1 48.8 165 169 A S H X S+ 0 0 65 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.902 113.6 47.4 -74.4 -40.7 27.1 17.2 47.2 166 170 A T H X S+ 0 0 13 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.900 112.0 52.4 -66.8 -38.2 27.7 20.1 44.9 167 171 A F H X S+ 0 0 0 -4,-3.1 4,-3.2 -5,-0.2 -1,-0.2 0.913 106.2 54.3 -61.5 -41.6 30.9 18.4 43.9 168 172 A K H X S+ 0 0 45 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.950 109.9 46.2 -55.3 -52.8 29.0 15.2 43.2 169 173 A V H X S+ 0 0 64 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.966 115.9 45.3 -53.3 -57.7 26.6 17.0 40.8 170 174 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.871 112.0 53.7 -53.4 -43.1 29.6 18.8 39.1 171 175 A R H X S+ 0 0 35 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.890 108.7 46.6 -60.5 -46.7 31.5 15.5 38.9 172 176 A N H X S+ 0 0 74 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.941 113.3 51.3 -63.8 -45.6 28.7 13.5 37.2 173 177 A V H X S+ 0 0 40 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.892 111.1 44.6 -60.4 -44.6 28.2 16.4 34.8 174 178 A T H X S+ 0 0 2 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.946 112.2 51.9 -69.2 -43.2 31.8 16.7 33.7 175 179 A V H X S+ 0 0 36 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.898 116.2 40.3 -58.6 -41.6 32.4 13.0 33.3 176 180 A V H < S+ 0 0 103 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.938 120.3 43.8 -73.7 -45.2 29.3 12.6 31.1 177 181 A L H >X S+ 0 0 25 -4,-2.6 3,-2.2 -5,-0.2 4,-0.9 0.974 111.5 52.1 -62.8 -56.7 29.9 15.8 29.1 178 182 A W H >< S+ 0 0 14 -4,-3.1 3,-1.0 1,-0.3 -1,-0.2 0.870 104.3 56.4 -46.8 -48.2 33.7 15.4 28.6 179 183 A S T 3X S+ 0 0 46 -4,-1.3 4,-0.6 -5,-0.3 -1,-0.3 0.589 98.5 64.1 -66.0 -8.1 33.3 11.9 27.2 180 184 A A H <> S+ 0 0 27 -3,-2.2 4,-2.9 -4,-0.4 5,-0.2 0.829 90.7 65.5 -82.2 -34.4 31.0 13.2 24.5 181 185 A Y H S+ 0 0 18 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.815 114.6 48.4 -60.9 -32.0 35.9 12.5 21.7 183 187 A V H X S+ 0 0 79 -4,-0.6 4,-1.9 2,-0.2 5,-0.2 0.936 111.8 48.4 -72.1 -48.0 32.9 10.6 20.3 184 188 A V H X S+ 0 0 11 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.896 113.2 50.0 -56.9 -41.4 31.6 13.7 18.5 185 189 A W H <>S+ 0 0 14 -4,-2.6 6,-0.6 -5,-0.2 5,-0.6 0.908 107.9 52.3 -63.9 -45.6 35.1 14.3 17.2 186 190 A L H <5S+ 0 0 59 -4,-2.0 6,-2.2 1,-0.2 8,-0.2 0.834 119.5 34.4 -62.2 -34.5 35.4 10.7 15.9 187 191 A I H <5S+ 0 0 45 -4,-1.9 8,-2.2 4,-0.2 -1,-0.2 0.554 109.5 80.5 -98.6 -7.6 32.2 10.8 14.0 188 192 A G T <5S- 0 0 0 -4,-1.3 3,-0.4 -5,-0.2 7,-0.2 0.260 104.5 -70.9 -80.7-154.3 32.4 14.5 12.9 189 193 A S T 5S+ 0 0 17 1,-0.2 4,-0.1 4,-0.1 -4,-0.1 0.308 125.7 60.5 -87.1 8.6 34.3 16.3 10.2 190 194 A E S - 0 0 77 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.344 24.6-117.0 -70.6 153.1 27.7 16.5 8.8 197 201 A L H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.778 113.6 66.5 -57.2 -25.7 29.6 19.6 10.0 198 202 A N H > S+ 0 0 55 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.968 109.4 31.0 -58.6 -59.7 26.2 21.1 10.4 199 203 A I H > S+ 0 0 68 -3,-0.3 4,-2.3 1,-0.2 3,-0.3 0.854 112.4 65.8 -68.8 -38.3 25.0 18.9 13.2 200 204 A E H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.3 5,-0.2 0.905 103.7 46.1 -51.5 -44.9 28.5 18.5 14.6 201 205 A T H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -1,-0.3 0.800 109.2 55.0 -69.5 -28.8 28.5 22.2 15.5 202 206 A L H X S+ 0 0 42 -4,-0.8 4,-0.9 -3,-0.3 -1,-0.2 0.824 111.6 45.5 -72.9 -30.2 25.1 21.9 17.0 203 207 A L H >X S+ 0 0 58 -4,-2.3 4,-2.7 2,-0.2 3,-0.7 0.953 112.6 47.3 -76.5 -50.8 26.4 19.1 19.2 204 208 A F H 3X S+ 0 0 1 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.740 109.9 57.2 -61.0 -23.1 29.6 20.9 20.3 205 209 A M H 3X S+ 0 0 8 -4,-1.2 4,-1.7 -5,-0.2 -1,-0.2 0.814 110.2 41.5 -76.8 -34.3 27.5 23.9 21.0 206 210 A V H S+ 0 0 24 -4,-1.7 5,-2.3 1,-0.2 4,-0.7 0.814 116.6 48.9 -49.1 -33.1 27.3 25.8 26.7 210 214 A S H <>S+ 0 0 45 -4,-2.0 5,-2.0 3,-0.2 -1,-0.2 0.945 115.0 42.6 -71.4 -49.0 26.4 23.0 29.1 211 215 A A H <5S+ 0 0 6 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.774 127.6 30.5 -67.0 -31.5 29.9 22.4 30.3 212 216 A K H X5S+ 0 0 8 -4,-3.1 4,-2.1 3,-0.1 -3,-0.2 0.900 135.8 20.1 -95.4 -66.4 30.8 26.1 30.6 213 217 A V H X5S+ 0 0 21 -4,-0.7 4,-3.0 -5,-0.3 -3,-0.2 0.957 127.6 49.4 -69.4 -50.2 27.6 28.0 31.4 214 218 A G H >< S+ 0 0 0 -4,-2.6 3,-3.2 1,-0.2 6,-0.3 0.996 116.2 50.1 -62.4 -69.3 28.4 25.7 41.1 220 224 A L H 3< S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.3 -3,-0.2 0.679 108.1 56.0 -46.4 -25.3 28.0 29.5 41.4 221 225 A R T 3< S+ 0 0 174 -4,-1.8 -1,-0.3 -5,-0.3 2,-0.2 0.323 97.4 76.1 -95.8 12.2 24.4 29.2 42.6 222 226 A S S < S- 0 0 28 -3,-3.2 3,-0.5 -5,-0.1 -59,-0.0 -0.671 81.1-127.1-111.7 169.9 25.3 26.9 45.5 223 227 A R S > S+ 0 0 139 -2,-0.2 3,-2.2 1,-0.2 -60,-0.1 0.416 89.3 99.4 -93.1 -1.0 26.9 27.9 48.8 224 228 A A T 3 S+ 0 0 4 1,-0.3 -1,-0.2 -5,-0.2 -61,-0.1 0.810 74.4 63.0 -53.6 -29.0 29.5 25.2 48.2 225 229 A I T 3 S+ 0 0 1 -3,-0.5 -1,-0.3 -6,-0.3 -187,-0.2 0.421 88.1 85.8 -80.4 0.4 31.8 28.0 47.0 226 230 A F < 0 0 62 -3,-2.2 -3,-0.0 -192,-0.1 -4,-0.0 -0.541 360.0 360.0 -98.0 168.2 32.0 29.9 50.4 227 231 A G 0 0 83 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.1 -0.318 360.0 360.0 -56.7 360.0 34.3 29.2 53.3