==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTON TRANSPORT 18-FEB-09 2ZZL . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR M.YAMAMOTO,T.KOUYAMA . 228 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 87.3 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 . 5 2.2 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 . 6 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 66.7 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 1 0 0 1 1 0 0 1 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 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 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 0 116 0, 0.0 2,-0.3 0, 0.0 196,-0.0 0.000 360.0 360.0 360.0 159.8 32.2 24.3 3.7 2 6 A G + 0 0 35 1,-0.1 60,-0.0 2,-0.1 72,-0.0 -0.632 360.0 73.4-125.5 76.0 31.8 26.8 6.6 3 7 A R S > S+ 0 0 156 -2,-0.3 3,-1.7 0, 0.0 4,-0.2 0.452 79.8 58.7-146.4 -51.1 28.4 28.6 6.2 4 8 A P T > S+ 0 0 70 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.858 104.2 55.5 -59.5 -35.1 25.3 26.5 7.1 5 9 A E T >> S+ 0 0 1 1,-0.2 4,-1.5 2,-0.1 3,-1.1 0.471 78.3 102.3 -76.9 0.8 26.6 25.8 10.6 6 10 A W H <> S+ 0 0 114 -3,-1.7 4,-2.3 1,-0.3 -1,-0.2 0.821 71.6 62.0 -53.0 -35.4 26.8 29.5 11.1 7 11 A I H <> S+ 0 0 77 -3,-0.9 4,-2.2 -4,-0.2 -1,-0.3 0.869 103.0 47.5 -62.4 -37.8 23.6 29.5 13.1 8 12 A W H <> S+ 0 0 65 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.835 112.0 51.7 -71.8 -31.9 25.0 27.2 15.8 9 13 A L H X S+ 0 0 3 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.871 111.0 47.0 -71.1 -37.4 28.1 29.4 16.0 10 14 A A H X S+ 0 0 27 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.898 114.1 46.9 -71.2 -40.8 25.9 32.5 16.4 11 15 A L H X S+ 0 0 80 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.926 113.3 49.6 -65.7 -43.7 23.8 30.9 19.1 12 16 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.929 110.6 49.6 -59.2 -46.8 26.9 29.6 20.8 13 17 A T H X S+ 0 0 13 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.911 113.2 47.4 -58.2 -44.9 28.4 33.1 20.7 14 18 A A H X S+ 0 0 48 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.904 112.0 48.5 -65.3 -43.7 25.3 34.6 22.2 15 19 A L H X S+ 0 0 58 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.872 112.4 48.3 -67.0 -36.7 24.9 32.0 24.9 16 20 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 34,-0.2 0.914 112.3 49.0 -69.7 -41.7 28.5 32.4 26.0 17 21 A G H X S+ 0 0 18 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.905 114.3 45.2 -63.2 -41.6 28.3 36.2 26.1 18 22 A L H X S+ 0 0 115 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.889 111.9 51.5 -69.1 -40.3 25.1 36.1 28.1 19 23 A G H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.875 110.6 49.8 -63.9 -37.1 26.5 33.5 30.5 20 24 A T H X S+ 0 0 15 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.950 111.0 47.9 -64.9 -49.6 29.5 35.7 31.0 21 25 A L H X S+ 0 0 106 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.893 112.0 51.0 -58.2 -42.2 27.4 38.8 31.7 22 26 A Y H X S+ 0 0 95 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.925 111.2 45.8 -62.2 -48.7 25.3 36.8 34.1 23 27 A F H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.898 112.5 53.2 -62.6 -40.4 28.2 35.5 36.1 24 28 A L H X S+ 0 0 92 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.934 112.8 41.7 -58.9 -50.5 29.8 38.9 36.1 25 29 A V H >X S+ 0 0 89 -4,-2.4 3,-1.2 1,-0.2 4,-0.5 0.940 114.1 52.7 -63.1 -47.7 26.7 40.6 37.6 26 30 A K H 3< S+ 0 0 69 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.796 109.3 50.4 -59.5 -30.8 26.1 37.8 40.0 27 31 A G H >< S+ 0 0 19 -4,-1.8 3,-1.3 -5,-0.2 -1,-0.3 0.568 86.5 84.8 -88.1 -8.0 29.7 38.0 41.3 28 32 A M H << S+ 0 0 141 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.1 0.872 89.8 48.7 -61.7 -40.0 29.7 41.8 42.0 29 33 A G T 3< S+ 0 0 77 -4,-0.5 2,-0.4 -3,-0.3 -1,-0.2 0.326 87.1 114.4 -85.5 11.6 28.1 41.6 45.4 30 34 A V < + 0 0 37 -3,-1.3 -3,-0.0 1,-0.1 -4,-0.0 -0.659 26.8 162.2 -88.4 134.0 30.5 38.8 46.7 31 35 A S + 0 0 115 -2,-0.4 -1,-0.1 5,-0.0 -4,-0.0 0.595 40.9 111.9-118.1 -24.1 32.9 39.4 49.5 32 36 A D > - 0 0 35 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.364 63.2-144.3 -55.8 115.6 33.8 35.8 50.6 33 37 A P H > S+ 0 0 87 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.772 97.2 48.3 -55.5 -28.9 37.4 35.4 49.5 34 38 A D H >> S+ 0 0 63 2,-0.2 4,-1.5 1,-0.1 3,-0.9 0.951 111.4 45.8 -77.1 -52.5 36.8 31.8 48.6 35 39 A A H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.862 106.8 63.6 -57.2 -35.7 33.7 32.3 46.5 36 40 A K H 3X S+ 0 0 107 -4,-2.5 4,-2.0 1,-0.2 -1,-0.3 0.861 100.4 50.1 -57.8 -38.6 35.5 35.1 44.9 37 41 A K H S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.774 113.5 61.9 -73.5 -20.8 32.6 31.6 29.0 47 51 A A H X S+ 0 0 30 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.940 110.2 41.2 -65.5 -44.4 34.4 34.9 28.4 48 52 A I H X S+ 0 0 38 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.928 113.7 52.4 -66.0 -46.3 37.0 33.0 26.6 49 53 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.857 105.5 57.5 -59.3 -35.1 34.4 30.8 24.9 50 54 A F H X S+ 0 0 79 -4,-2.3 4,-2.3 -34,-0.2 -1,-0.2 0.954 108.3 43.9 -60.4 -51.7 32.6 33.9 23.7 51 55 A T H X S+ 0 0 70 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.894 115.9 49.0 -62.1 -39.1 35.7 35.2 21.9 52 56 A M H X S+ 0 0 35 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.908 111.4 46.7 -70.1 -41.0 36.4 31.8 20.4 53 57 A Y H X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 -40,-0.2 0.904 111.7 52.9 -66.9 -37.6 32.9 31.2 19.2 54 58 A L H X S+ 0 0 60 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.882 106.4 52.8 -63.3 -38.0 32.8 34.7 17.7 55 59 A S H X S+ 0 0 14 -4,-1.8 6,-2.3 1,-0.2 4,-1.2 0.874 110.9 47.4 -65.5 -35.0 36.1 33.9 15.9 56 60 A M H < S+ 0 0 4 -4,-1.7 -2,-0.2 4,-0.2 -1,-0.2 0.879 112.0 49.7 -71.5 -39.0 34.5 30.8 14.4 57 61 A L H < S+ 0 0 58 -4,-2.4 -2,-0.2 -48,-0.2 -1,-0.2 0.907 114.4 44.4 -64.7 -43.7 31.3 32.7 13.4 58 62 A L H < S- 0 0 133 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.717 116.3-114.4 -75.4 -21.8 33.4 35.4 11.7 59 63 A G S >< S+ 0 0 33 -4,-1.2 3,-1.9 -5,-0.2 -3,-0.2 0.089 90.3 105.2 112.1 -24.9 35.6 32.9 10.0 60 64 A Y T 3 S+ 0 0 185 -5,-0.4 -4,-0.2 1,-0.3 -5,-0.1 0.903 80.5 54.7 -55.7 -42.4 39.0 33.7 11.7 61 65 A G T 3 S+ 0 0 0 -6,-2.3 16,-1.6 -9,-0.1 2,-0.4 0.295 95.2 88.2 -77.9 13.5 38.7 30.5 13.8 62 66 A L < + 0 0 43 -3,-1.9 2,-0.3 -7,-0.3 13,-0.2 -0.923 50.4 170.4-116.3 136.2 38.2 28.3 10.7 63 67 A T E -A 74 0A 52 11,-2.4 11,-3.2 -2,-0.4 2,-0.5 -0.842 30.4-116.7-134.5 171.2 41.0 26.7 8.6 64 68 A M E -A 73 0A 101 -2,-0.3 7,-0.1 9,-0.2 -2,-0.0 -0.960 25.0-172.2-116.1 127.3 41.2 24.2 5.8 65 69 A V E -A 72 0A 7 7,-3.0 7,-2.8 -2,-0.5 2,-0.4 -0.972 17.6-137.0-121.6 123.0 43.0 20.9 6.2 66 70 A P E +A 71 0A 48 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.621 46.0 125.4 -81.1 131.9 43.6 18.5 3.3 67 71 A F + 0 0 15 3,-2.4 3,-0.3 -2,-0.4 59,-0.1 -0.869 57.9 35.1-177.4 147.9 43.0 14.8 4.0 68 72 A G S S- 0 0 54 57,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.735 132.4 -62.8 71.4 20.1 40.9 12.0 2.5 69 73 A G S S+ 0 0 84 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.873 118.9 78.4 71.8 39.2 41.7 13.6 -0.9 70 74 A E S S- 0 0 118 -3,-0.3 -3,-2.4 -5,-0.1 2,-0.7 -0.985 84.2 -98.3-168.1 161.8 39.9 16.9 -0.1 71 75 A Q E -A 66 0A 128 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.821 42.9-163.0 -91.4 115.9 40.1 20.2 1.7 72 76 A N E -A 65 0A 14 -7,-2.8 -7,-3.0 -2,-0.7 2,-0.3 -0.857 19.6-120.8-107.8 133.0 38.2 19.9 5.0 73 77 A P E -A 64 0A 13 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.525 33.0-174.2 -70.3 125.7 37.0 22.8 7.2 74 78 A I E -A 63 0A 1 -11,-3.2 -11,-2.4 -2,-0.3 2,-1.5 -0.981 21.5-145.9-127.8 120.9 38.5 22.6 10.6 75 79 A Y >> + 0 0 4 -2,-0.5 3,-1.5 -13,-0.2 4,-0.5 -0.652 22.7 173.3 -85.3 85.3 37.5 24.9 13.5 76 80 A W H >> S+ 0 0 71 -2,-1.5 4,-1.7 -15,-0.4 3,-0.9 0.780 71.7 72.2 -63.8 -26.3 40.9 25.2 15.3 77 81 A A H 3> S+ 0 0 0 -16,-1.6 4,-1.9 1,-0.3 -1,-0.3 0.716 85.4 66.8 -62.1 -21.7 39.3 27.9 17.5 78 82 A R H <> S+ 0 0 2 -3,-1.5 4,-2.3 -17,-0.3 -1,-0.3 0.918 106.5 41.3 -62.5 -42.7 37.3 25.1 19.2 79 83 A Y H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 3,-1.2 0.984 112.3 44.8 -64.3 -58.6 39.0 27.6 23.5 82 86 A W H 3X S+ 0 0 17 -4,-2.3 4,-2.1 1,-0.3 -2,-0.2 0.823 101.3 69.2 -56.4 -35.2 39.3 24.2 25.2 83 87 A L H 3< S+ 0 0 68 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.854 114.8 25.5 -53.4 -37.7 43.0 24.7 25.9 84 88 A F H S+ 0 0 24 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.897 111.2 50.8 -65.5 -35.1 42.2 23.7 33.0 88 92 A L H X S+ 0 0 32 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.926 109.0 49.5 -65.9 -44.9 40.0 26.4 34.6 89 93 A L H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.907 111.0 51.0 -59.3 -41.8 37.1 23.9 35.0 90 94 A L H X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.897 107.8 53.2 -61.9 -40.3 39.6 21.5 36.6 91 95 A L H X S+ 0 0 54 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.868 104.8 54.8 -62.6 -38.5 40.8 24.3 38.9 92 96 A D H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.957 112.0 43.4 -59.2 -50.9 37.2 24.9 40.0 93 97 A L H X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.897 112.8 53.2 -61.3 -42.5 36.9 21.2 41.0 94 98 A A H X>S+ 0 0 2 -4,-2.7 5,-2.3 1,-0.2 4,-0.9 0.905 110.2 46.2 -60.9 -44.3 40.3 21.2 42.6 95 99 A L H <5S+ 0 0 62 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.879 108.5 56.7 -67.6 -36.7 39.5 24.2 44.8 96 100 A L H <5S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.857 119.6 30.9 -62.5 -34.2 36.2 22.7 45.8 97 101 A V H <5S- 0 0 1 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.416 106.8-122.0-105.5 -0.8 37.9 19.6 47.1 98 102 A D T <5 - 0 0 119 -4,-0.9 -3,-0.2 -3,-0.3 -4,-0.1 0.938 40.2-164.6 57.5 50.8 41.2 21.2 48.2 99 103 A A < - 0 0 13 -5,-2.3 -1,-0.1 -6,-0.1 53,-0.0 -0.264 23.0 -98.7 -65.3 151.2 43.3 19.0 45.9 100 104 A D > - 0 0 97 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.298 28.7-116.9 -67.8 155.4 47.1 18.7 46.4 101 105 A Q H > S+ 0 0 172 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 113.7 54.8 -62.1 -40.1 49.4 20.8 44.2 102 106 A G H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 109.1 47.1 -61.5 -42.0 51.0 17.8 42.7 103 107 A T H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.893 110.7 52.4 -68.5 -36.2 47.6 16.4 41.6 104 108 A I H X S+ 0 0 41 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.929 110.7 47.3 -64.4 -44.2 46.6 19.7 40.2 105 109 A L H X S+ 0 0 126 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.912 110.8 52.7 -62.2 -42.4 49.8 20.0 38.1 106 110 A A H X S+ 0 0 39 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.921 112.7 44.4 -58.4 -46.4 49.3 16.4 36.9 107 111 A L H X S+ 0 0 3 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.908 113.9 47.7 -65.7 -46.3 45.7 17.1 35.8 108 112 A V H X S+ 0 0 49 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.910 114.6 47.5 -63.5 -41.6 46.5 20.4 34.1 109 113 A G H X S+ 0 0 35 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.920 113.2 47.1 -64.6 -44.6 49.5 18.8 32.3 110 114 A A H X S+ 0 0 15 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.896 112.5 52.2 -62.8 -38.2 47.4 15.8 31.3 111 115 A D H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.869 107.5 49.6 -66.8 -38.1 44.7 18.3 30.1 112 116 A G H X S+ 0 0 31 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.884 112.4 48.9 -68.2 -36.5 47.2 20.3 28.0 113 117 A I H X S+ 0 0 99 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.917 109.6 53.4 -66.9 -41.7 48.3 17.0 26.4 114 118 A M H X S+ 0 0 15 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.939 117.5 34.5 -58.3 -51.2 44.7 16.1 25.8 115 119 A I H X S+ 0 0 15 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.913 117.2 53.8 -72.6 -43.1 43.8 19.3 24.0 116 120 A G H X S+ 0 0 30 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.925 113.0 42.1 -58.5 -47.1 47.2 19.7 22.3 117 121 A T H X S+ 0 0 19 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.841 111.5 56.6 -70.2 -30.9 47.1 16.2 20.8 118 122 A G H X S+ 0 0 10 -4,-1.4 4,-2.0 -5,-0.3 -2,-0.2 0.921 109.4 46.2 -63.7 -42.2 43.5 16.6 19.9 119 123 A L H X S+ 0 0 54 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.913 109.9 52.5 -66.1 -43.4 44.5 19.8 17.9 120 124 A V H < S+ 0 0 63 -4,-2.3 4,-0.4 1,-0.2 3,-0.4 0.938 110.4 50.3 -57.2 -43.6 47.4 18.0 16.3 121 125 A G H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.884 107.6 52.4 -61.3 -40.1 44.9 15.3 15.3 122 126 A A H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.776 114.7 42.1 -66.9 -27.9 42.5 17.9 13.8 123 127 A L T 3< S+ 0 0 67 -4,-1.7 2,-0.4 -3,-0.4 -1,-0.2 0.313 85.7 119.9-102.9 7.8 45.3 19.4 11.7 124 128 A T < - 0 0 21 -3,-0.9 6,-0.1 -4,-0.4 -59,-0.0 -0.605 48.7-159.2 -78.8 127.2 46.9 16.1 10.6 125 129 A K S S+ 0 0 139 -2,-0.4 2,-0.9 1,-0.1 -57,-0.3 0.730 73.8 80.2 -77.8 -25.8 46.9 15.6 6.8 126 130 A V S >> S- 0 0 70 1,-0.2 4,-1.1 -59,-0.1 3,-1.0 -0.775 75.1-149.0 -87.6 106.0 47.4 11.8 6.8 127 131 A Y H >> S+ 0 0 95 -2,-0.9 3,-1.0 1,-0.3 4,-0.6 0.845 93.5 50.1 -39.0 -55.2 43.8 10.5 7.5 128 132 A S H >> S+ 0 0 79 1,-0.2 3,-0.9 2,-0.2 4,-0.6 0.843 104.4 58.3 -57.4 -39.1 45.0 7.4 9.3 129 133 A Y H X> S+ 0 0 137 -3,-1.0 4,-1.6 1,-0.2 3,-0.6 0.778 91.3 71.8 -64.4 -26.4 47.3 9.4 11.6 130 134 A R H S+ 0 0 151 -4,-2.3 4,-2.6 -5,-0.2 5,-0.7 0.947 111.3 43.5 -61.2 -51.8 39.7 8.6 36.6 147 151 A V H X>S+ 0 0 21 -4,-2.3 5,-1.9 1,-0.2 4,-0.7 0.876 116.2 48.9 -62.6 -38.5 41.5 11.0 39.0 148 152 A L H <5S+ 0 0 2 -4,-2.5 5,-0.4 3,-0.2 -2,-0.2 0.887 115.5 42.3 -69.7 -40.3 38.4 13.3 39.2 149 153 A F H <5S+ 0 0 73 -4,-2.7 -2,-0.2 -5,-0.2 4,-0.2 0.911 131.9 19.1 -75.2 -42.5 35.9 10.5 39.8 150 154 A F H X5S+ 0 0 116 -4,-2.6 4,-1.3 -5,-0.2 -3,-0.2 0.894 128.5 41.3 -96.2 -48.0 37.9 8.5 42.3 151 155 A G H X S+ 0 0 17 -5,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.928 105.7 48.1 -58.6 -45.4 35.5 12.2 45.5 154 158 A S H < S+ 0 0 90 -4,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.885 113.5 48.5 -61.6 -37.9 37.5 10.8 48.5 155 159 A K H >< S+ 0 0 71 -4,-1.4 3,-1.1 1,-0.2 -2,-0.2 0.876 108.2 54.9 -69.2 -38.0 38.8 14.3 49.0 156 160 A A H >< S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.795 95.8 66.5 -66.3 -29.6 35.3 15.8 48.8 157 161 A E T 3< S+ 0 0 107 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.674 92.0 62.0 -67.2 -17.2 34.1 13.5 51.5 158 162 A S T < S+ 0 0 92 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.522 95.5 80.6 -85.5 -5.2 36.3 15.3 54.0 159 163 A M S < S- 0 0 68 -3,-1.7 -62,-0.0 -4,-0.2 -63,-0.0 -0.421 97.5 -79.2 -94.2 172.3 34.3 18.5 53.3 160 164 A R >> - 0 0 74 -2,-0.1 4,-2.1 1,-0.1 3,-1.2 -0.358 51.9 -99.5 -68.6 152.1 31.0 19.6 54.7 161 165 A P H 3> S+ 0 0 112 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.782 121.0 56.9 -41.2 -41.8 27.9 18.0 53.1 162 166 A E H 3> S+ 0 0 37 2,-0.2 4,-1.9 1,-0.2 62,-0.3 0.899 110.8 43.2 -61.8 -41.7 27.1 21.0 50.9 163 167 A V H <> S+ 0 0 2 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.931 114.9 49.8 -69.3 -46.0 30.6 20.9 49.3 164 168 A A H X S+ 0 0 12 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.912 113.2 45.2 -59.5 -46.6 30.5 17.1 48.9 165 169 A S H X S+ 0 0 61 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.908 113.9 48.3 -67.9 -40.6 27.0 17.0 47.3 166 170 A T H X S+ 0 0 11 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.893 111.0 51.3 -67.8 -36.2 27.8 19.9 44.9 167 171 A F H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.915 106.6 54.9 -64.3 -41.6 31.1 18.2 43.9 168 172 A K H X S+ 0 0 50 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.893 110.4 45.1 -57.7 -43.5 29.2 14.9 43.2 169 173 A V H X S+ 0 0 69 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.947 115.7 45.5 -67.2 -47.9 26.8 16.7 40.8 170 174 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.879 112.8 53.3 -61.9 -36.8 29.6 18.6 39.1 171 175 A R H X S+ 0 0 30 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.932 110.7 44.5 -62.4 -49.6 31.7 15.4 39.0 172 176 A N H X S+ 0 0 71 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.898 114.1 49.9 -63.0 -43.1 28.9 13.3 37.3 173 177 A V H X S+ 0 0 39 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.925 111.6 50.2 -60.6 -46.2 28.2 16.2 34.9 174 178 A T H X S+ 0 0 2 -4,-2.5 4,-2.5 -5,-0.2 5,-0.4 0.918 109.3 48.9 -60.0 -48.9 31.9 16.4 34.0 175 179 A V H X S+ 0 0 39 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.928 117.6 41.4 -60.2 -44.3 32.4 12.7 33.4 176 180 A V H X S+ 0 0 104 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.957 118.8 43.9 -68.3 -51.3 29.3 12.5 31.1 177 181 A L H >X S+ 0 0 25 -4,-3.1 4,-0.7 -5,-0.2 3,-0.6 0.943 115.7 45.6 -59.7 -54.2 29.9 15.8 29.2 178 182 A W H >< S+ 0 0 16 -4,-2.5 3,-1.2 -5,-0.3 -1,-0.2 0.908 108.3 56.8 -57.6 -45.7 33.7 15.4 28.7 179 183 A S H 3X S+ 0 0 42 -4,-1.6 4,-0.8 -5,-0.4 -1,-0.2 0.797 99.4 63.1 -57.9 -28.2 33.3 11.8 27.5 180 184 A A H S+ 0 0 20 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.823 113.3 52.7 -62.9 -26.9 35.8 12.3 21.7 183 187 A V H X S+ 0 0 83 -4,-0.8 4,-2.3 2,-0.2 5,-0.2 0.936 110.4 45.4 -71.4 -47.5 32.6 10.6 20.5 184 188 A V H X S+ 0 0 13 -4,-2.5 4,-2.3 2,-0.2 7,-0.2 0.929 113.6 50.9 -61.0 -43.3 31.4 13.6 18.6 185 189 A W H < S+ 0 0 16 -4,-2.7 6,-0.7 -5,-0.2 5,-0.4 0.937 110.2 50.3 -57.9 -47.3 34.9 14.1 17.2 186 190 A L H < S+ 0 0 60 -4,-2.2 6,-2.6 1,-0.2 -1,-0.2 0.861 116.7 38.8 -61.1 -39.5 35.0 10.5 16.1 187 191 A I H < S+ 0 0 48 -4,-2.3 8,-2.2 4,-0.2 7,-1.9 0.722 106.6 81.3 -86.1 -20.3 31.6 10.6 14.3 188 192 A G S >< S- 0 0 0 -4,-2.3 3,-1.5 -5,-0.2 6,-0.2 -0.061 102.3 -83.6 -78.3-178.4 32.0 14.1 12.9 189 193 A S T 3 S+ 0 0 25 1,-0.3 4,-0.2 4,-0.2 -1,-0.1 0.519 122.3 65.8 -64.0 -6.1 33.8 15.4 9.8 190 194 A E T 3 S+ 0 0 1 -5,-0.4 -1,-0.3 2,-0.2 -4,-0.1 0.739 120.9 7.4 -87.7 -25.5 37.1 15.5 11.7 191 195 A G S < S- 0 0 2 -3,-1.5 2,-1.0 -6,-0.7 -5,-0.2 0.338 138.1 -4.2-117.6-109.7 37.3 11.7 12.2 192 196 A A S S- 0 0 33 -6,-2.6 2,-3.4 -7,-0.1 3,-0.4 -0.820 73.2-136.6 -92.2 103.6 34.9 9.3 10.5 193 197 A G + 0 0 60 -2,-1.0 -5,-0.2 -4,-0.2 -4,-0.2 -0.260 58.4 135.4 -61.7 66.7 32.5 11.7 8.7 194 198 A I S S+ 0 0 125 -2,-3.4 -1,-0.2 -7,-1.9 -6,-0.2 0.753 72.6 39.1 -83.0 -28.1 29.3 9.7 9.7 195 199 A V S S- 0 0 32 -8,-2.2 -6,-0.2 -3,-0.4 -1,-0.1 -0.949 96.3-108.4-122.5 141.8 27.6 13.0 10.6 196 200 A P >> - 0 0 79 0, 0.0 4,-2.4 0, 0.0 3,-0.9 -0.271 29.2-107.6 -70.0 157.3 27.9 16.3 8.7 197 201 A L H 3> S+ 0 0 18 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.807 117.8 63.0 -50.1 -34.9 29.9 19.3 9.9 198 202 A N H 3> S+ 0 0 54 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.903 110.2 35.0 -59.4 -46.9 26.5 21.0 10.5 199 203 A I H <> S+ 0 0 67 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.807 115.1 58.4 -77.8 -32.4 25.4 18.5 13.1 200 204 A E H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.939 108.1 46.0 -59.6 -50.1 28.9 18.2 14.4 201 205 A T H X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.877 111.8 51.1 -62.1 -41.5 29.0 21.9 15.1 202 206 A L H X S+ 0 0 36 -4,-1.4 4,-2.3 -5,-0.2 -1,-0.2 0.908 110.6 49.3 -64.0 -42.7 25.6 21.9 16.8 203 207 A L H X S+ 0 0 55 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.911 111.7 47.3 -64.7 -43.1 26.6 19.0 19.0 204 208 A F H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.857 110.9 53.9 -66.9 -32.7 29.8 20.7 20.1 205 209 A M H X S+ 0 0 6 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.931 108.9 46.8 -66.7 -44.8 27.9 23.9 20.7 206 210 A V H X S+ 0 0 69 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.921 115.4 47.4 -62.4 -42.7 25.4 22.1 23.0 207 211 A L H X S+ 0 0 23 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.919 113.3 47.6 -64.0 -46.0 28.3 20.4 24.8 208 212 A D H X S+ 0 0 0 -4,-2.9 4,-3.2 2,-0.2 5,-0.2 0.898 112.3 47.7 -64.1 -43.9 30.3 23.7 25.2 209 213 A V H X>S+ 0 0 28 -4,-2.7 5,-1.9 2,-0.2 4,-1.6 0.926 113.5 49.0 -64.1 -41.8 27.3 25.7 26.5 210 214 A S H <>S+ 0 0 45 -4,-2.1 5,-1.5 -5,-0.3 -2,-0.2 0.882 119.0 39.1 -64.1 -37.8 26.5 22.9 28.9 211 215 A A H <5S+ 0 0 5 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.810 122.9 38.5 -82.6 -32.1 30.2 22.8 30.1 212 216 A K H <5S+ 0 0 4 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.483 137.0 12.8 -99.7 -4.9 30.9 26.6 30.0 213 217 A V T X5S+ 0 0 19 -4,-1.6 4,-2.5 -5,-0.2 -3,-0.2 0.522 125.7 52.1-132.0 -49.8 27.6 27.9 31.4 214 218 A G H > S+ 0 0 1 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.849 107.3 54.7 -61.0 -37.5 29.1 27.3 36.2 217 221 A L H X S+ 0 0 52 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.965 109.1 47.2 -61.0 -52.3 25.4 27.7 37.0 218 222 A I H < S+ 0 0 63 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.893 119.2 41.3 -55.8 -43.1 25.4 24.6 39.2 219 223 A L H >< S+ 0 0 1 -4,-2.2 3,-1.5 -5,-0.2 6,-0.4 0.965 115.9 44.4 -72.7 -54.0 28.5 25.8 41.0 220 224 A L H 3< S+ 0 0 4 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.631 111.8 54.1 -69.7 -13.2 27.9 29.5 41.4 221 225 A R T 3< S+ 0 0 173 -4,-1.5 -1,-0.3 -5,-0.3 2,-0.2 0.432 97.2 84.4 -98.1 -0.6 24.3 29.0 42.5 222 226 A S S X S- 0 0 16 -3,-1.5 3,-0.6 -4,-0.2 -59,-0.0 -0.573 80.6-129.2 -97.6 164.1 25.4 26.6 45.3 223 227 A R G > S+ 0 0 164 1,-0.2 3,-1.9 -2,-0.2 -60,-0.1 0.529 90.9 92.5 -87.4 -6.1 26.6 27.5 48.8 224 228 A A G 3 S+ 0 0 6 1,-0.3 -1,-0.2 -62,-0.3 -61,-0.1 0.730 73.0 66.1 -59.9 -25.2 29.6 25.2 48.2 225 229 A I G < S+ 0 0 1 -3,-0.6 2,-0.6 -6,-0.4 -1,-0.3 0.589 83.2 90.0 -75.5 -8.4 31.7 28.1 47.0 226 230 A F < - 0 0 71 -3,-1.9 -3,-0.0 1,-0.2 -194,-0.0 -0.802 60.5-164.9 -92.7 119.6 31.6 29.7 50.4 227 231 A G 0 0 29 -2,-0.6 -1,-0.2 1,-0.0 -4,-0.0 0.933 360.0 360.0 -68.6 -48.3 34.5 28.6 52.6 228 232 A E 0 0 189 0, 0.0 -2,-0.1 0, 0.0 -196,-0.0 0.958 360.0 360.0 53.3 360.0 33.1 29.8 56.0