==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 23-MAY-12 4FBZ . COMPND 2 MOLECULE: DELTARHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOTERRIGENA THERMOTOLERANS; . AUTHOR T.KOUYAMA . 238 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 83.2 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 2.1 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 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 4 0 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 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 1 A M 0 0 118 0, 0.0 66,-0.6 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0-110.7 48.5 28.6 17.7 2 2 A A + 0 0 107 1,-0.2 2,-0.4 63,-0.2 64,-0.1 0.770 360.0 136.1 63.8 30.2 46.3 28.9 14.6 3 3 A A - 0 0 14 62,-0.3 -1,-0.2 59,-0.3 2,-0.2 -0.876 50.3-131.0-111.4 140.4 44.6 25.6 15.3 4 4 A T - 0 0 124 -2,-0.4 62,-0.1 1,-0.1 58,-0.1 -0.535 17.3-128.5 -85.9 154.8 40.8 24.9 15.1 5 5 A V - 0 0 38 -2,-0.2 -1,-0.1 55,-0.1 3,-0.1 0.910 33.1-168.7 -66.8-100.2 38.9 23.1 17.9 6 6 A G > - 0 0 33 1,-0.1 3,-2.0 196,-0.0 4,-0.1 -0.808 46.3 -41.5 134.2-177.8 36.9 20.1 16.7 7 7 A P T > S+ 0 0 101 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.681 121.0 74.1 -58.4 -17.9 34.2 17.7 17.9 8 8 A E T >> + 0 0 9 1,-0.2 3,-1.5 2,-0.2 4,-1.4 0.709 69.7 89.3 -70.0 -17.6 36.0 17.4 21.2 9 9 A S H <> S+ 0 0 35 -3,-2.0 4,-2.1 1,-0.3 -1,-0.2 0.718 74.0 70.2 -51.0 -24.0 34.7 20.9 22.1 10 10 A I H <> S+ 0 0 75 -3,-1.2 4,-2.0 2,-0.2 -1,-0.3 0.940 102.0 42.6 -60.9 -45.7 31.6 19.2 23.6 11 11 A W H <> S+ 0 0 54 -3,-1.5 4,-3.2 -4,-0.3 -2,-0.2 0.892 110.1 57.9 -67.2 -38.8 33.7 17.9 26.4 12 12 A L H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.857 109.1 44.9 -60.2 -37.1 35.5 21.2 26.8 13 13 A W H X S+ 0 0 112 -4,-2.1 4,-3.5 2,-0.2 -1,-0.2 0.900 112.0 50.2 -74.3 -41.5 32.2 23.0 27.4 14 14 A I H X S+ 0 0 75 -4,-2.0 4,-3.6 2,-0.2 -2,-0.2 0.954 114.2 47.7 -58.3 -48.5 30.9 20.4 29.8 15 15 A G H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 5,-0.3 0.931 111.5 48.3 -57.1 -49.6 34.3 20.8 31.6 16 16 A T H X S+ 0 0 9 -4,-2.4 4,-2.2 40,-0.2 -1,-0.2 0.941 115.0 46.9 -55.8 -49.0 34.0 24.6 31.5 17 17 A I H X S+ 0 0 92 -4,-3.5 4,-2.4 2,-0.2 -2,-0.2 0.926 112.5 48.7 -59.7 -49.7 30.4 24.3 32.9 18 18 A G H X S+ 0 0 19 -4,-3.6 4,-2.6 1,-0.2 5,-0.2 0.936 112.2 47.1 -58.2 -49.5 31.3 21.8 35.6 19 19 A M H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.898 112.5 50.2 -60.8 -40.6 34.3 23.8 36.9 20 20 A T H X S+ 0 0 57 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.902 112.0 48.6 -65.2 -39.6 32.3 27.0 36.9 21 21 A L H X S+ 0 0 104 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.883 108.9 51.8 -67.0 -40.9 29.5 25.2 38.8 22 22 A G H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.907 108.6 53.5 -62.4 -39.1 31.9 23.7 41.4 23 23 A T H X S+ 0 0 18 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.951 109.2 45.6 -59.1 -53.7 33.3 27.2 42.0 24 24 A L H X S+ 0 0 115 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.872 112.0 54.4 -59.4 -36.5 29.9 28.7 42.7 25 25 A Y H X S+ 0 0 112 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.948 112.0 42.6 -62.1 -48.7 29.2 25.8 45.0 26 26 A F H X S+ 0 0 1 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.824 111.7 54.7 -68.4 -32.5 32.3 26.3 47.0 27 27 A V H < S+ 0 0 55 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.945 116.5 37.0 -65.8 -47.2 31.9 30.1 47.1 28 28 A G H >< S+ 0 0 47 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.849 116.4 53.8 -72.1 -33.8 28.4 29.7 48.6 29 29 A R H 3< S+ 0 0 77 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.821 107.7 51.1 -69.5 -29.8 29.5 26.8 50.6 30 30 A G T >< S+ 0 0 8 -4,-1.9 3,-1.6 -5,-0.2 2,-0.3 0.547 82.7 117.6 -84.2 -7.9 32.3 28.9 52.1 31 31 A R T < S+ 0 0 170 -3,-0.7 3,-0.1 -4,-0.4 -3,-0.0 -0.449 78.3 18.1 -63.9 119.4 29.9 31.7 53.0 32 32 A G T 3 S+ 0 0 67 -2,-0.3 2,-0.6 1,-0.3 -1,-0.2 0.400 82.0 136.8 102.6 -3.3 30.0 32.2 56.8 33 33 A V < + 0 0 19 -3,-1.6 -1,-0.3 1,-0.2 -3,-0.0 -0.694 17.1 166.5 -82.4 119.1 33.2 30.4 57.7 34 34 A R + 0 0 199 -2,-0.6 -1,-0.2 -3,-0.1 2,-0.1 0.730 41.4 106.5-101.3 -29.4 35.1 32.5 60.3 35 35 A D S > S- 0 0 38 1,-0.1 4,-2.0 2,-0.1 2,-1.5 -0.320 71.2-134.5 -55.1 119.5 37.6 29.9 61.4 36 36 A R T 4 S+ 0 0 145 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 -0.666 98.7 39.7 -79.2 93.7 41.0 30.9 59.9 37 37 A K T > S+ 0 0 31 -2,-1.5 4,-1.4 197,-0.0 -1,-0.2 -0.301 107.4 58.6 161.4 -53.7 42.0 27.4 58.8 38 38 A M H > S+ 0 0 0 -3,-0.3 4,-1.4 1,-0.2 3,-0.4 0.947 106.2 54.7 -60.2 -46.3 38.7 26.2 57.5 39 39 A Q H X S+ 0 0 70 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.859 97.5 61.1 -54.3 -43.5 38.9 29.2 55.2 40 40 A E H > S+ 0 0 53 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.937 103.9 51.1 -51.7 -47.8 42.3 28.2 53.8 41 41 A F H X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.4 -1,-0.2 0.883 112.0 46.7 -57.6 -40.7 40.7 25.0 52.5 42 42 A Y H X S+ 0 0 13 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.901 113.9 46.7 -70.3 -40.8 37.9 27.0 50.9 43 43 A I H X S+ 0 0 90 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.970 116.3 43.5 -65.1 -54.6 40.2 29.6 49.3 44 44 A I H X S+ 0 0 15 -4,-2.9 4,-1.6 -5,-0.2 -2,-0.2 0.958 118.0 45.8 -54.1 -54.4 42.7 27.1 47.9 45 45 A T H X S+ 0 0 2 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.910 112.5 49.9 -56.9 -47.6 39.9 24.8 46.7 46 46 A T H X S+ 0 0 24 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.879 108.6 52.3 -61.9 -39.8 37.9 27.6 45.1 47 47 A F H X S+ 0 0 119 -4,-2.5 4,-1.8 -5,-0.2 5,-0.2 0.825 104.3 59.0 -66.1 -29.4 41.0 28.9 43.3 48 48 A I H X S+ 0 0 3 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.961 109.8 40.9 -63.6 -48.9 41.5 25.4 41.9 49 49 A T H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.863 114.2 49.9 -70.7 -36.5 38.1 25.3 40.2 50 50 A T H X S+ 0 0 51 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.894 111.9 49.0 -71.1 -35.8 38.0 28.8 38.9 51 51 A I H X S+ 0 0 37 -4,-1.8 4,-2.2 -5,-0.2 5,-0.2 0.965 113.7 46.9 -62.5 -50.4 41.5 28.4 37.3 52 52 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.896 111.4 52.2 -57.0 -42.7 40.3 25.2 35.8 53 53 A A H X S+ 0 0 10 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.917 109.3 48.2 -60.9 -46.7 37.2 26.8 34.6 54 54 A A H X S+ 0 0 51 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.872 113.8 47.1 -63.2 -38.7 39.0 29.7 32.9 55 55 A M H X S+ 0 0 48 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.875 110.7 51.4 -72.7 -36.0 41.4 27.3 31.2 56 56 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -40,-0.2 0.917 110.7 49.1 -66.1 -38.1 38.6 25.0 30.1 57 57 A F H X S+ 0 0 112 -4,-2.4 4,-2.4 1,-0.2 6,-0.3 0.821 108.9 55.1 -67.6 -29.7 36.9 28.1 28.6 58 58 A A H <>S+ 0 0 11 -4,-1.4 6,-1.7 2,-0.2 5,-1.5 0.915 111.3 41.8 -69.3 -43.6 40.2 29.0 26.9 59 59 A M H ><5S+ 0 0 1 -4,-2.3 3,-0.8 4,-0.2 -2,-0.2 0.841 113.1 55.6 -72.1 -32.5 40.4 25.6 25.2 60 60 A A H 3<5S+ 0 0 6 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.958 108.2 45.9 -64.5 -50.2 36.7 25.7 24.4 61 61 A T T 3<5S- 0 0 74 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.429 119.5-110.9 -74.0 3.4 37.0 29.1 22.6 62 62 A G T X 5S+ 0 0 19 -3,-0.8 3,-0.7 -4,-0.1 -59,-0.3 0.447 89.6 113.5 83.5 -1.7 40.0 27.8 20.8 63 63 A F T 3 + 0 0 2 -2,-0.5 3,-1.2 -13,-0.2 4,-0.3 -0.741 21.8 172.8 -94.1 82.9 45.9 21.8 24.0 79 79 A W T >> + 0 0 68 -2,-1.3 3,-1.8 1,-0.2 4,-1.1 0.761 62.5 79.2 -66.6 -26.8 48.6 23.6 25.9 80 80 A A H 3> S+ 0 0 0 -16,-1.2 4,-2.0 1,-0.3 -1,-0.2 0.780 79.8 72.6 -54.0 -25.3 46.1 25.4 28.3 81 81 A R H <> S+ 0 0 3 -3,-1.2 4,-2.8 -17,-0.3 -1,-0.3 0.914 99.3 45.6 -55.2 -42.4 46.0 22.1 30.2 82 82 A Y H <> S+ 0 0 5 -3,-1.8 4,-3.2 -4,-0.3 -1,-0.2 0.884 107.6 53.8 -69.4 -42.9 49.5 22.8 31.4 83 83 A A H X S+ 0 0 30 -4,-1.1 4,-0.6 2,-0.2 -1,-0.2 0.848 114.2 47.3 -59.7 -32.7 48.9 26.5 32.4 84 84 A D H >X S+ 0 0 1 -4,-2.0 4,-2.6 -5,-0.2 3,-1.6 0.987 115.1 41.1 -68.5 -65.5 46.0 25.0 34.4 85 85 A W H 3X S+ 0 0 26 -4,-2.8 4,-1.8 1,-0.3 -2,-0.2 0.827 102.0 70.6 -55.5 -36.2 47.9 22.2 36.1 86 86 A L H 3< S+ 0 0 52 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.828 117.0 22.8 -51.3 -33.2 50.9 24.3 36.7 87 87 A F H S+ 0 0 15 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.896 111.6 52.4 -67.1 -32.3 50.4 22.4 43.5 91 91 A L H X S+ 0 0 42 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.909 105.8 53.9 -65.4 -40.3 47.3 23.9 45.2 92 92 A L H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.906 109.7 47.6 -59.4 -42.0 45.8 20.4 45.5 93 93 A L H X S+ 0 0 1 -4,-1.9 4,-3.7 2,-0.2 -1,-0.2 0.855 106.7 57.3 -68.1 -33.3 48.9 19.2 47.3 94 94 A L H X S+ 0 0 50 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.964 106.4 50.2 -59.3 -48.7 48.7 22.3 49.5 95 95 A D H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.925 114.6 42.9 -53.1 -50.5 45.2 21.0 50.5 96 96 A L H X S+ 0 0 1 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.924 113.3 52.9 -63.3 -44.7 46.6 17.6 51.3 97 97 A G H X>S+ 0 0 0 -4,-3.7 5,-2.0 1,-0.2 4,-1.4 0.954 112.3 43.3 -54.2 -54.9 49.6 19.0 53.0 98 98 A L H <5S+ 0 0 36 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.845 114.5 52.6 -60.3 -34.5 47.5 21.2 55.3 99 99 A L H <5S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.910 110.4 46.3 -68.7 -42.8 45.2 18.3 55.8 100 100 A A H <5S- 0 0 0 -4,-3.2 61,-0.2 -5,-0.1 -1,-0.2 0.688 109.7-120.1 -74.3 -18.2 47.9 15.9 56.8 101 101 A G T <5 + 0 0 44 -4,-1.4 -3,-0.2 -5,-0.2 -4,-0.1 0.780 53.1 169.9 81.4 27.7 49.6 18.4 59.2 102 102 A A < - 0 0 17 -5,-2.0 -1,-0.2 -6,-0.2 2,-0.1 -0.286 30.5-118.4 -71.4 155.7 52.8 18.3 57.1 103 103 A N >> - 0 0 86 1,-0.1 4,-2.4 -2,-0.0 3,-0.6 -0.448 33.0 -96.1 -91.8 169.6 55.7 20.7 57.7 104 104 A R H 3> S+ 0 0 197 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.775 120.0 58.6 -57.1 -30.0 57.1 23.1 55.1 105 105 A N H 3> S+ 0 0 110 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.913 111.3 41.1 -67.0 -41.4 59.9 20.8 53.9 106 106 A T H <> S+ 0 0 16 -3,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.937 118.2 45.7 -69.6 -49.4 57.4 18.1 52.9 107 107 A I H X S+ 0 0 23 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.882 113.7 50.2 -63.1 -36.8 55.0 20.5 51.4 108 108 A A H X S+ 0 0 58 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.884 110.3 50.1 -68.8 -37.0 57.8 22.3 49.6 109 109 A T H X S+ 0 0 71 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.950 111.2 48.7 -64.5 -49.6 59.1 19.0 48.3 110 110 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.957 113.9 45.7 -54.0 -54.9 55.6 18.1 47.0 111 111 A I H X S+ 0 0 46 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.914 113.9 50.1 -55.6 -46.2 55.1 21.5 45.3 112 112 A G H X S+ 0 0 43 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.910 112.8 44.6 -60.1 -46.9 58.6 21.3 43.8 113 113 A L H X S+ 0 0 41 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.943 113.4 52.7 -62.2 -46.9 58.2 17.8 42.4 114 114 A D H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.3 5,-0.2 0.901 109.7 45.7 -55.5 -49.2 54.8 18.7 41.1 115 115 A V H X S+ 0 0 60 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.863 112.1 52.1 -64.5 -36.6 55.9 21.8 39.2 116 116 A F H X S+ 0 0 112 -4,-1.8 4,-2.8 -5,-0.2 5,-0.3 0.913 108.9 53.6 -64.8 -40.1 58.8 19.9 37.8 117 117 A M H X S+ 0 0 18 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.915 113.3 39.0 -60.0 -50.9 56.3 17.3 36.7 118 118 A I H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.893 115.7 54.2 -70.3 -37.1 54.0 19.7 34.8 119 119 A G H X S+ 0 0 22 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.935 113.7 38.9 -61.7 -48.0 57.0 21.7 33.4 120 120 A T H X S+ 0 0 7 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.796 112.9 62.5 -71.8 -24.3 58.7 18.6 31.9 121 121 A G H X S+ 0 0 11 -4,-1.3 4,-1.6 -5,-0.3 -2,-0.2 0.911 105.3 42.1 -65.7 -43.9 55.2 17.6 31.0 122 122 A M H X S+ 0 0 60 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.808 110.0 57.6 -75.6 -25.3 54.6 20.6 28.7 123 123 A I H >X S+ 0 0 71 -4,-1.5 4,-1.4 -5,-0.2 3,-1.3 0.976 107.6 49.0 -63.0 -49.7 58.1 20.2 27.3 124 124 A A H 3< S+ 0 0 1 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.858 105.7 57.2 -53.5 -42.0 57.1 16.7 26.3 125 125 A A H 3< S+ 0 0 0 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.771 117.4 34.1 -62.9 -26.7 53.9 18.1 24.8 126 126 A F H << S+ 0 0 90 -3,-1.3 -2,-0.2 -4,-1.2 -1,-0.2 0.490 85.5 124.8-108.3 -5.1 56.0 20.3 22.5 127 127 A A < - 0 0 12 -4,-1.4 6,-0.1 -3,-0.3 -3,-0.0 -0.194 60.3-133.4 -55.1 149.9 59.1 18.2 21.9 128 128 A A S S+ 0 0 67 -58,-0.1 -57,-0.6 4,-0.0 -1,-0.1 0.355 79.1 58.4 -89.5 5.7 59.8 17.6 18.2 129 129 A T S > S- 0 0 66 -59,-0.2 4,-3.5 1,-0.1 5,-0.3 -0.994 72.5-133.1-140.4 140.9 60.4 13.9 18.2 130 130 A P H > S+ 0 0 55 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.922 116.0 48.9 -54.8 -37.6 58.4 10.8 19.2 131 131 A G H > S+ 0 0 48 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.869 113.8 43.6 -68.2 -38.7 61.6 9.8 21.0 132 132 A T H > S+ 0 0 58 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.907 112.3 52.4 -73.6 -42.6 62.1 13.1 22.8 133 133 A R H X S+ 0 0 0 -4,-3.5 4,-2.5 1,-0.2 -2,-0.2 0.926 113.2 44.1 -59.4 -45.6 58.4 13.5 23.7 134 134 A I H X S+ 0 0 50 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.840 109.6 56.9 -69.5 -32.9 58.4 10.0 25.3 135 135 A A H X S+ 0 0 55 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.960 112.6 41.1 -60.8 -49.6 61.8 10.7 27.0 136 136 A W H X S+ 0 0 86 -4,-2.5 4,-3.2 2,-0.3 5,-0.3 0.880 110.6 56.0 -64.4 -41.1 60.2 13.8 28.7 137 137 A W H X S+ 0 0 72 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.926 109.4 50.7 -55.9 -40.9 57.0 11.9 29.4 138 138 A G H X S+ 0 0 34 -4,-2.5 4,-1.9 2,-0.2 -2,-0.3 0.887 109.3 47.4 -64.2 -42.6 59.4 9.6 31.1 139 139 A I H X S+ 0 0 79 -4,-1.9 4,-2.0 2,-0.2 3,-0.3 0.980 115.0 46.8 -61.7 -55.1 61.1 12.3 33.1 140 140 A S H X S+ 0 0 18 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.868 110.8 51.5 -54.4 -43.2 57.7 13.7 34.1 141 141 A T H X S+ 0 0 28 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.878 105.5 56.9 -64.3 -36.0 56.3 10.3 35.1 142 142 A G H X S+ 0 0 36 -4,-1.9 4,-2.2 -3,-0.3 -2,-0.2 0.951 106.9 48.3 -58.3 -48.6 59.3 9.7 37.2 143 143 A A H X S+ 0 0 9 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.873 106.9 56.5 -59.6 -39.5 58.6 12.9 39.2 144 144 A L H X S+ 0 0 6 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.937 109.4 46.5 -58.0 -44.9 54.9 11.8 39.5 145 145 A L H X S+ 0 0 95 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.875 109.6 54.4 -65.4 -37.1 56.2 8.6 41.1 146 146 A A H X S+ 0 0 39 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.928 112.5 42.4 -64.4 -43.3 58.6 10.5 43.4 147 147 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.884 111.9 53.4 -73.0 -33.6 55.7 12.7 44.7 148 148 A L H X S+ 0 0 15 -4,-2.4 4,-2.2 -5,-0.3 5,-0.3 0.857 104.7 57.9 -64.7 -32.8 53.3 9.7 45.1 149 149 A Y H X S+ 0 0 177 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.863 105.8 48.5 -63.5 -35.9 56.1 8.1 47.1 150 150 A V H <>S+ 0 0 22 -4,-1.1 5,-2.6 -3,-0.2 6,-0.5 0.864 108.7 55.2 -72.5 -34.9 56.0 11.1 49.5 151 151 A L H <>S+ 0 0 0 -4,-1.9 5,-0.9 1,-0.2 -2,-0.2 0.941 114.1 36.8 -63.6 -50.0 52.2 10.8 49.7 152 152 A V H <5S+ 0 0 76 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.766 128.0 38.5 -75.5 -24.2 52.0 7.2 50.8 153 153 A G T X5S+ 0 0 31 -4,-1.4 4,-2.2 -5,-0.3 3,-0.4 0.725 128.6 5.8 -89.2-106.6 55.2 7.6 52.9 154 154 A T H >5S+ 0 0 66 1,-0.2 4,-2.2 -5,-0.2 -3,-0.2 0.860 131.1 50.3 -47.1 -50.0 55.9 10.7 54.9 155 155 A L H >< S+ 0 0 45 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.941 107.3 53.4 -61.8 -47.2 51.8 12.8 59.3 159 159 A A H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.773 97.6 64.8 -59.4 -29.3 48.1 12.2 58.8 160 160 A R T 3< S+ 0 0 161 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.661 97.1 57.5 -70.0 -14.0 48.2 9.3 61.2 161 161 A G T < S+ 0 0 66 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.405 94.7 89.4 -93.9 1.4 49.1 11.8 63.9 162 162 A Q S < S- 0 0 43 -3,-1.6 71,-0.1 1,-0.2 -62,-0.1 -0.353 98.6 -73.2 -89.6 172.8 45.9 13.7 63.1 163 163 A S >> - 0 0 24 69,-0.4 4,-2.6 66,-0.1 3,-0.6 -0.393 53.7-108.4 -63.4 148.5 42.5 13.2 64.7 164 164 A P H 3> S+ 0 0 90 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.842 117.9 51.4 -48.2 -44.7 40.9 10.0 63.3 165 165 A E H 3> S+ 0 0 92 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.883 112.8 46.9 -64.1 -35.5 38.3 11.7 61.2 166 166 A V H <> S+ 0 0 0 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.912 111.8 50.3 -70.1 -43.5 41.0 13.8 59.6 167 167 A A H X S+ 0 0 27 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.899 112.9 47.1 -60.4 -42.0 43.2 10.8 59.1 168 168 A S H X S+ 0 0 71 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.961 111.5 50.4 -62.8 -50.9 40.2 9.0 57.4 169 169 A L H X S+ 0 0 6 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.882 110.3 51.3 -54.6 -40.8 39.5 12.1 55.3 170 170 A F H X S+ 0 0 1 -4,-2.8 4,-3.7 1,-0.2 5,-0.3 0.974 105.9 54.5 -60.5 -55.1 43.1 12.1 54.3 171 171 A G H X S+ 0 0 16 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.876 109.8 46.5 -45.4 -49.7 43.1 8.4 53.3 172 172 A R H X S+ 0 0 141 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.993 115.9 44.2 -57.5 -62.9 40.2 9.0 51.0 173 173 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.850 113.8 51.1 -51.6 -40.8 41.7 12.1 49.4 174 174 A R H X S+ 0 0 34 -4,-3.7 4,-2.4 2,-0.2 -1,-0.2 0.957 111.7 46.1 -63.9 -48.5 45.1 10.4 49.1 175 175 A N H X S+ 0 0 85 -4,-2.8 4,-2.3 -5,-0.3 5,-0.3 0.862 110.5 54.3 -62.0 -35.2 43.7 7.3 47.4 176 176 A L H X S+ 0 0 49 -4,-2.6 4,-2.4 -5,-0.2 5,-0.3 0.941 109.5 47.7 -63.1 -46.0 41.7 9.5 45.1 177 177 A V H X S+ 0 0 2 -4,-2.3 4,-2.9 -5,-0.2 5,-0.4 0.914 111.1 51.6 -59.9 -46.2 44.8 11.4 44.1 178 178 A I H X S+ 0 0 39 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.935 115.7 37.9 -58.4 -53.3 46.8 8.1 43.5 179 179 A V H X S+ 0 0 77 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.972 122.7 42.4 -67.0 -51.3 44.3 6.5 41.2 180 180 A L H X S+ 0 0 18 -4,-2.4 4,-0.7 -5,-0.3 3,-0.5 0.927 115.1 47.9 -60.6 -49.3 43.3 9.6 39.4 181 181 A W H >< S+ 0 0 12 -4,-2.9 3,-0.8 -5,-0.3 -1,-0.2 0.855 106.1 56.7 -63.7 -36.7 46.7 11.1 38.9 182 182 A L H 3X S+ 0 0 69 -4,-1.6 4,-0.8 -5,-0.4 -1,-0.2 0.830 101.0 61.4 -64.0 -28.8 48.3 7.9 37.6 183 183 A L H 3X S+ 0 0 77 -4,-1.1 4,-2.5 -3,-0.5 -1,-0.2 0.770 89.0 70.1 -69.5 -26.6 45.7 7.9 34.9 184 184 A Y H S+ 0 0 23 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.855 112.6 52.2 -59.3 -31.7 50.1 9.9 32.0 186 186 A V H X S+ 0 0 68 -4,-0.8 4,-2.0 2,-0.2 5,-0.2 0.937 109.9 46.8 -68.1 -47.0 48.3 6.9 30.5 187 187 A V H X S+ 0 0 19 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.844 115.6 48.4 -62.5 -33.3 45.7 9.0 28.8 188 188 A W H < S+ 0 0 15 -4,-2.2 6,-1.1 -5,-0.2 -2,-0.2 0.963 110.3 48.0 -71.7 -54.1 48.6 11.2 27.5 189 189 A I H < S+ 0 0 29 -4,-2.9 7,-0.4 1,-0.2 9,-0.2 0.835 119.0 41.6 -57.1 -34.7 50.8 8.4 26.2 190 190 A L H < S+ 0 0 58 -4,-2.0 9,-2.5 -5,-0.2 8,-0.8 0.785 109.4 71.5 -83.3 -31.0 47.8 6.8 24.4 191 191 A G S >< S- 0 0 0 -4,-1.7 6,-1.0 -5,-0.2 3,-0.6 0.214 107.4 -73.2 -72.7-163.9 46.4 10.1 23.1 192 192 A T G > S+ 0 0 22 1,-0.2 3,-2.3 7,-0.2 5,-0.2 0.910 124.0 62.2 -60.9 -45.3 47.5 12.4 20.4 193 193 A E G 3 S+ 0 0 2 1,-0.3 -1,-0.2 2,-0.1 -4,-0.1 0.792 95.6 60.8 -53.5 -32.3 50.4 13.9 22.4 194 194 A G G < S- 0 0 0 -6,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.546 105.1-128.1 -75.1 -5.4 52.1 10.5 22.6 195 195 A T S < S+ 0 0 22 -3,-2.3 -3,-0.1 -4,-0.2 -2,-0.1 0.259 92.1 90.5 76.5 -9.3 52.4 10.4 18.8 196 196 A F S S- 0 0 113 -5,-0.5 -4,-0.1 -7,-0.4 -6,-0.1 0.611 72.5-155.3 -90.8 -15.2 50.8 6.9 18.8 197 197 A G + 0 0 47 -6,-1.0 -6,-0.2 -5,-0.2 -5,-0.2 0.722 42.6 143.0 46.1 29.1 47.2 8.1 18.4 198 198 A I + 0 0 114 -8,-0.8 -7,-0.2 -7,-0.4 -1,-0.1 0.907 68.3 46.4 -62.7 -42.0 45.8 4.9 20.0 199 199 A L S S- 0 0 55 -9,-2.5 -7,-0.2 -12,-0.1 -1,-0.2 -0.906 99.5-118.5-106.3 112.9 43.1 6.9 21.8 200 200 A P >> - 0 0 69 0, 0.0 4,-2.4 0, 0.0 3,-0.8 -0.108 19.7-117.8 -49.2 142.2 41.3 9.4 19.5 201 201 A L H 3> S+ 0 0 41 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.823 114.0 61.0 -51.0 -34.2 41.6 13.1 20.5 202 202 A Y H 3> S+ 0 0 80 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.919 111.8 35.4 -61.2 -46.1 37.8 13.1 21.0 203 203 A W H <> S+ 0 0 142 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.745 113.0 59.7 -81.5 -24.2 37.9 10.5 23.7 204 204 A E H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.944 104.4 50.3 -67.1 -45.7 41.1 11.8 25.1 205 205 A T H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.890 112.0 48.7 -57.8 -40.4 39.5 15.2 25.7 206 206 A A H X S+ 0 0 9 -4,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.934 109.4 51.8 -65.2 -47.0 36.6 13.4 27.5 207 207 A A H X S+ 0 0 32 -4,-2.6 4,-2.7 1,-0.3 -2,-0.2 0.956 111.5 46.1 -55.0 -53.3 38.9 11.3 29.6 208 208 A F H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 -1,-0.3 0.835 110.2 57.1 -60.7 -29.6 40.8 14.4 30.8 209 209 A M H X S+ 0 0 14 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.932 108.7 43.6 -66.7 -44.8 37.4 16.0 31.4 210 210 A V H X S+ 0 0 81 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.935 116.3 48.4 -66.1 -44.1 36.3 13.2 33.7 211 211 A L H X S+ 0 0 12 -4,-2.7 4,-3.4 -5,-0.2 5,-0.2 0.970 111.8 47.4 -59.6 -55.8 39.7 13.2 35.5 212 212 A D H X S+ 0 0 1 -4,-2.9 4,-0.9 1,-0.2 5,-0.4 0.903 113.9 48.3 -53.7 -45.4 39.9 17.0 36.0 213 213 A L H X>S+ 0 0 39 -4,-2.2 5,-2.3 -5,-0.2 4,-1.3 0.900 116.5 42.5 -62.4 -42.0 36.3 17.1 37.3 214 214 A S H <>S+ 0 0 38 -4,-2.4 5,-1.7 1,-0.2 -2,-0.2 0.877 113.7 51.7 -72.2 -37.9 36.9 14.3 39.7 215 215 A A H <5S+ 0 0 3 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.577 127.7 19.2 -77.0 -8.9 40.3 15.5 40.8 216 216 A K H X5S+ 0 0 5 -4,-0.9 4,-2.5 -3,-0.3 -3,-0.2 0.690 132.7 29.8-124.8 -58.9 39.0 19.0 41.6 217 217 A V H X5S+ 0 0 30 -4,-1.3 4,-3.1 -5,-0.4 -3,-0.2 0.934 128.1 42.9 -72.9 -44.9 35.2 19.2 42.1 218 218 A G H > - 0 0 10 -3,-0.4 4,-1.0 -4,-0.3 -1,-0.1 -0.882 59.1-166.3-107.9 131.2 32.2 18.5 56.9 227 227 A R H > S+ 0 0 93 -2,-0.5 4,-1.2 2,-0.2 -1,-0.1 0.879 88.7 53.4 -78.8 -40.4 33.2 21.7 58.7 228 228 A S H 4 S+ 0 0 60 1,-0.2 3,-0.3 2,-0.2 -1,-0.1 0.907 109.2 47.3 -63.7 -43.3 33.7 20.2 62.1 229 229 A V H >4 S+ 0 0 13 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.910 109.3 55.3 -64.8 -39.7 36.2 17.5 61.0 230 230 A L H >< S+ 0 0 1 -4,-1.0 3,-0.8 1,-0.3 -1,-0.2 0.770 102.9 55.4 -64.9 -26.0 38.1 20.1 59.0 231 231 A R G >< S+ 0 0 103 -4,-1.2 3,-0.6 -3,-0.3 -1,-0.3 0.399 88.5 77.1 -88.4 4.5 38.5 22.2 62.1 232 232 A R G < S+ 0 0 84 -3,-1.7 -69,-0.4 1,-0.2 -1,-0.2 0.401 71.0 84.9 -89.1 -0.6 40.1 19.3 63.9 233 233 A V G < S+ 0 0 20 -3,-0.8 2,-0.3 1,-0.1 -1,-0.2 0.710 104.3 27.5 -71.1 -20.2 43.2 20.1 61.9 234 234 A V < - 0 0 55 -3,-0.6 -1,-0.1 1,-0.1 -197,-0.0 -0.971 67.9-172.9-137.7 147.8 43.9 22.5 64.7 235 235 A T + 0 0 132 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.815 53.4 80.4-111.4 -50.7 42.7 22.2 68.3 236 236 A P S S- 0 0 104 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.198 80.8 -96.4 -51.8 177.3 43.4 25.4 70.4 237 237 A T 0 0 145 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.620 360.0 360.0 -98.5 159.7 41.3 28.6 70.4 238 238 A A 0 0 143 -2,-0.2 -203,-0.0 0, 0.0 0, 0.0 -0.960 360.0 360.0-158.3 360.0 42.0 31.8 68.3