==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTORECEPTOR 30-JUL-99 1QKP . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARIUM; . AUTHOR K.EDMAN,P.NOLLERT,A.ROYANT,H.BELRHALI,E.PEBAY-PEYROULA, . 227 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 88.1 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 . 7 3.1 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 . 5 2.2 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 . 149 65.6 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 2 1 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 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 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 94 0, 0.0 2,-4.0 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0-160.3 19.9 35.2 -16.4 2 6 A G T 4 + 0 0 37 1,-0.2 60,-0.0 2,-0.1 0, 0.0 -0.083 360.0 46.4 -51.1 49.4 19.4 31.7 -15.2 3 7 A R T >4 S+ 0 0 161 -2,-4.0 3,-2.8 0, 0.0 4,-0.3 0.263 96.0 49.9-148.8 -74.2 22.9 30.3 -15.8 4 8 A P T >4 S+ 0 0 76 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.873 112.6 51.1 -44.0 -48.6 26.1 32.1 -14.7 5 9 A E T 3X S+ 0 0 1 -4,-0.6 4,-1.6 1,-0.2 3,-0.5 0.371 78.7 103.5 -74.7 6.5 24.8 32.7 -11.2 6 10 A W H <> S+ 0 0 116 -3,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.850 74.3 58.1 -58.7 -35.1 23.9 29.0 -10.7 7 11 A I H <> S+ 0 0 66 -3,-0.8 4,-2.4 -4,-0.3 -1,-0.2 0.879 105.7 47.3 -64.3 -39.3 26.9 28.3 -8.6 8 12 A W H > S+ 0 0 66 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.844 113.6 50.0 -69.9 -33.7 26.0 31.0 -5.9 9 13 A L H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.896 112.9 45.5 -70.4 -40.9 22.5 29.6 -5.9 10 14 A A H X S+ 0 0 26 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.881 114.6 48.0 -70.1 -37.7 23.7 26.0 -5.4 11 15 A L H X S+ 0 0 67 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.897 112.7 49.5 -68.5 -40.7 26.2 27.1 -2.8 12 16 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.926 110.5 50.0 -63.7 -44.2 23.4 29.1 -1.1 13 17 A T H X S+ 0 0 14 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.952 113.6 45.8 -58.8 -49.2 21.1 26.1 -1.2 14 18 A A H X S+ 0 0 49 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.890 113.8 48.1 -61.6 -43.5 23.8 23.8 0.3 15 19 A L H X S+ 0 0 61 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.876 112.6 47.1 -67.9 -38.8 24.8 26.3 3.0 16 20 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 34,-0.2 0.894 114.2 49.1 -68.8 -37.8 21.2 27.0 4.1 17 21 A G H X S+ 0 0 14 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.889 111.3 47.9 -68.0 -40.6 20.5 23.2 4.2 18 22 A L H X S+ 0 0 110 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.876 111.9 50.4 -68.2 -37.3 23.5 22.4 6.2 19 23 A G H X S+ 0 0 6 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.907 108.5 52.1 -66.5 -41.9 22.7 25.1 8.7 20 24 A T H X S+ 0 0 16 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.929 111.9 45.9 -59.3 -47.9 19.2 23.9 9.1 21 25 A L H X S+ 0 0 102 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.895 112.0 51.6 -63.3 -42.3 20.4 20.4 9.8 22 26 A Y H X S+ 0 0 115 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.963 112.4 44.8 -60.0 -52.0 23.0 21.6 12.2 23 27 A F H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.870 112.7 53.6 -59.6 -38.0 20.5 23.7 14.2 24 28 A L H < S+ 0 0 92 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.931 113.9 40.1 -61.6 -49.5 18.0 20.8 14.1 25 29 A V H >X S+ 0 0 97 -4,-2.6 3,-1.7 1,-0.2 4,-0.6 0.947 115.1 52.1 -65.2 -49.6 20.5 18.3 15.6 26 30 A K H >< S+ 0 0 59 -4,-3.1 3,-0.8 1,-0.3 -2,-0.2 0.868 108.1 53.3 -55.2 -38.5 21.9 20.9 18.1 27 31 A G T 3< S+ 0 0 20 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.568 85.6 81.4 -76.5 -9.5 18.4 21.6 19.3 28 32 A M T <4 S+ 0 0 158 -3,-1.7 2,-1.9 -4,-0.4 -1,-0.2 0.899 85.6 63.0 -62.1 -37.6 17.6 18.0 20.0 29 33 A G S << S+ 0 0 70 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.3 -0.538 84.0 112.9 -85.6 71.7 19.5 18.5 23.2 30 34 A V + 0 0 27 -2,-1.9 -3,-0.0 -3,-0.2 -4,-0.0 -0.890 21.1 149.6-150.3 116.4 17.0 21.1 24.5 31 35 A S + 0 0 111 -2,-0.3 -1,-0.1 5,-0.0 5,-0.1 0.736 46.5 103.2-110.3 -40.2 14.5 20.9 27.4 32 36 A D > - 0 0 43 1,-0.1 4,-2.0 2,-0.1 5,-0.1 -0.241 67.8-138.3 -52.5 124.8 14.2 24.6 28.5 33 37 A P H > S+ 0 0 89 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.882 101.7 40.9 -50.5 -50.3 10.9 26.1 27.3 34 38 A D H > S+ 0 0 69 2,-0.2 4,-1.7 1,-0.2 3,-0.2 0.873 111.2 55.1 -71.1 -38.6 12.5 29.5 26.3 35 39 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.871 105.6 57.3 -60.9 -33.7 15.6 27.9 24.8 36 40 A K H X S+ 0 0 110 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.859 101.4 53.5 -64.5 -39.7 13.1 25.9 22.7 37 41 A K H X S+ 0 0 101 -4,-1.1 4,-2.6 -3,-0.2 5,-0.2 0.930 109.8 48.3 -62.0 -45.7 11.5 29.1 21.3 38 42 A F H X S+ 0 0 10 -4,-1.7 4,-2.2 187,-0.2 -1,-0.2 0.849 113.5 47.2 -63.1 -36.5 14.8 30.4 20.2 39 43 A Y H X S+ 0 0 18 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.898 112.7 48.6 -72.2 -41.4 15.8 27.1 18.5 40 44 A A H X S+ 0 0 64 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.937 116.3 42.8 -63.4 -48.6 12.4 26.7 16.8 41 45 A I H X S+ 0 0 18 -4,-2.6 4,-1.1 -5,-0.2 -2,-0.2 0.959 117.3 46.3 -61.1 -52.8 12.5 30.3 15.4 42 46 A T H < S+ 0 0 3 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.781 111.9 49.0 -64.2 -32.8 16.2 30.1 14.4 43 47 A T H X S+ 0 0 15 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.844 106.0 57.9 -77.0 -33.3 16.0 26.7 12.7 44 48 A L H X S+ 0 0 81 -4,-1.6 4,-2.2 -5,-0.2 5,-0.2 0.802 96.4 65.6 -65.7 -30.3 13.0 27.7 10.6 45 49 A V H X S+ 0 0 1 -4,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.941 107.3 36.0 -59.0 -54.7 14.8 30.6 9.1 46 50 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.824 113.6 60.8 -69.6 -31.1 17.5 28.6 7.1 47 51 A A H X S+ 0 0 28 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.932 108.9 41.9 -61.0 -45.7 14.9 25.9 6.4 48 52 A I H X S+ 0 0 43 -4,-2.2 4,-2.0 2,-0.2 3,-0.2 0.951 115.1 49.4 -65.4 -51.9 12.7 28.5 4.6 49 53 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.862 106.1 59.4 -56.5 -37.4 15.7 30.1 2.8 50 54 A F H X S+ 0 0 75 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.934 106.9 45.7 -57.0 -48.0 16.8 26.6 1.8 51 55 A T H X S+ 0 0 64 -4,-1.6 4,-1.9 -3,-0.2 -1,-0.2 0.883 115.3 46.2 -64.5 -39.1 13.6 26.0 -0.1 52 56 A M H X S+ 0 0 39 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.860 110.8 51.5 -73.4 -36.6 13.6 29.4 -1.8 53 57 A Y H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 -40,-0.2 0.909 111.1 49.7 -64.6 -41.0 17.2 29.1 -2.8 54 58 A L H X S+ 0 0 58 -4,-2.1 4,-2.6 -5,-0.3 6,-0.2 0.907 107.2 54.1 -63.6 -40.3 16.5 25.7 -4.3 55 59 A S H <>S+ 0 0 15 -4,-1.9 6,-1.5 1,-0.2 5,-1.4 0.875 111.4 45.8 -61.8 -36.3 13.5 27.2 -6.2 56 60 A M H ><5S+ 0 0 3 -4,-1.8 3,-0.8 4,-0.2 -2,-0.2 0.911 110.9 52.3 -71.7 -42.2 15.8 29.8 -7.7 57 61 A L H 3<5S+ 0 0 56 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.903 112.5 45.3 -59.1 -43.0 18.5 27.2 -8.5 58 62 A L T 3<5S- 0 0 130 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.535 118.8-112.8 -78.9 -8.1 15.9 25.0 -10.3 59 63 A G T X 5S+ 0 0 38 -3,-0.8 3,-0.9 -4,-0.4 -3,-0.2 0.353 87.8 110.8 94.4 -5.5 14.5 28.1 -12.1 60 64 A Y T 3 +A 70 0A 13 3,-2.0 3,-1.4 -2,-0.4 59,-0.1 -0.945 57.3 27.6-172.6 156.0 11.3 47.8 -17.9 68 72 A G T 3 S- 0 0 58 57,-0.4 3,-0.1 -2,-0.3 58,-0.1 0.375 131.9 -60.3 67.6 -9.3 13.8 50.4 -19.0 69 73 A G T 3 S+ 0 0 72 1,-0.4 2,-0.3 0, 0.0 -1,-0.3 0.668 116.3 85.9 107.7 25.4 13.3 48.9 -22.4 70 74 A E E < S-A 67 0A 134 -3,-1.4 -3,-2.0 -5,-0.1 2,-0.9 -0.941 80.4-106.1-149.0 168.1 14.4 45.3 -21.8 71 75 A Q E -A 66 0A 112 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.858 44.8-162.2 -99.8 99.4 13.3 41.9 -20.5 72 76 A N E -A 65 0A 25 -7,-2.6 -7,-3.0 -2,-0.9 2,-0.4 -0.747 16.6-128.8 -95.0 123.8 14.9 41.7 -17.0 73 77 A P E -A 64 0A 22 0, 0.0 2,-0.5 0, 0.0 -9,-0.3 -0.510 30.8-173.6 -68.2 120.7 15.4 38.4 -15.1 74 78 A I E -A 63 0A 0 -11,-4.4 -11,-2.2 -2,-0.4 2,-1.3 -0.971 22.7-145.6-124.3 120.0 14.0 38.9 -11.6 75 79 A Y E > +A 62 0A 4 -2,-0.5 3,-0.8 -13,-0.2 4,-0.3 -0.689 24.6 172.2 -83.3 93.8 14.3 36.3 -8.8 76 80 A W T >> + 0 0 77 -2,-1.3 3,-1.1 -15,-0.5 4,-1.0 0.699 63.9 80.4 -75.7 -20.8 11.0 36.9 -7.0 77 81 A A H 3> S+ 0 0 0 -16,-2.0 4,-1.8 1,-0.3 -1,-0.2 0.774 80.0 70.1 -58.1 -25.7 11.6 33.9 -4.8 78 82 A R H <> S+ 0 0 1 -3,-0.8 4,-2.8 -17,-0.3 -1,-0.3 0.903 97.5 48.9 -57.4 -44.1 13.8 36.0 -2.6 79 83 A Y H <> S+ 0 0 7 -3,-1.1 4,-2.8 -4,-0.3 -1,-0.2 0.844 106.1 54.6 -66.0 -38.2 10.9 38.1 -1.4 80 84 A A H X S+ 0 0 29 -4,-1.0 4,-0.8 2,-0.2 -1,-0.2 0.893 112.6 46.9 -61.3 -39.3 8.8 35.1 -0.5 81 85 A D H >X S+ 0 0 1 -4,-1.8 4,-2.7 1,-0.2 3,-1.6 0.993 114.8 43.6 -62.6 -63.8 11.8 34.0 1.6 82 86 A W H 3X S+ 0 0 17 -4,-2.8 4,-1.8 1,-0.3 -2,-0.2 0.794 101.2 68.9 -55.2 -34.0 12.3 37.4 3.3 83 87 A L H 3< S+ 0 0 75 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.865 117.1 24.7 -54.1 -36.9 8.6 37.9 3.9 84 88 A F H S+ 0 0 23 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.873 111.6 53.5 -66.7 -31.3 10.2 38.9 10.9 88 92 A L H X S+ 0 0 31 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.890 107.9 49.8 -66.8 -38.9 11.4 35.7 12.5 89 93 A L H X S+ 0 0 5 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.898 111.1 49.4 -65.8 -39.1 14.8 37.1 12.9 90 94 A L H X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.827 106.9 56.6 -66.3 -33.5 13.3 40.2 14.5 91 95 A L H X S+ 0 0 53 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.867 103.2 53.5 -67.0 -37.2 11.3 37.9 16.8 92 96 A D H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.941 112.0 45.2 -61.9 -47.4 14.5 36.3 18.0 93 97 A L H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.906 114.6 48.1 -62.7 -42.4 15.8 39.8 18.9 94 98 A A H <>S+ 0 0 1 -4,-2.5 5,-2.6 2,-0.2 4,-0.5 0.895 111.6 48.1 -66.3 -43.4 12.5 40.8 20.5 95 99 A L H ><5S+ 0 0 41 -4,-2.8 3,-0.8 3,-0.2 -1,-0.2 0.889 106.5 60.3 -63.2 -39.1 12.2 37.6 22.6 96 100 A L H 3<5S+ 0 0 11 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.895 115.3 31.6 -55.7 -44.8 15.8 38.1 23.7 97 101 A V T 3<5S- 0 0 2 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.348 110.7-120.1 -96.7 5.1 15.0 41.5 25.3 98 102 A D T < 5 - 0 0 118 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.910 41.4-166.5 57.6 48.0 11.5 40.5 26.2 99 103 A A < - 0 0 14 -5,-2.6 -1,-0.1 1,-0.1 2,-0.1 -0.186 22.2-103.0 -63.0 155.7 9.8 43.3 24.2 100 104 A D > - 0 0 91 1,-0.1 4,-1.7 4,-0.0 3,-0.3 -0.400 30.0-110.0 -77.4 159.4 6.2 44.1 24.7 101 105 A Q H > S+ 0 0 175 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.826 115.1 62.3 -58.6 -33.9 3.6 42.9 22.1 102 106 A G H > S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.937 107.1 41.4 -58.3 -49.8 3.1 46.5 20.9 103 107 A T H > S+ 0 0 29 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.824 112.1 56.4 -68.7 -32.6 6.6 46.9 19.7 104 108 A I H X S+ 0 0 42 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.938 108.3 46.8 -64.5 -45.3 6.7 43.4 18.3 105 109 A L H X S+ 0 0 129 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.879 110.8 53.1 -63.2 -39.0 3.6 44.1 16.1 106 110 A A H X S+ 0 0 27 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.902 111.9 45.0 -63.3 -42.4 5.2 47.4 15.0 107 111 A L H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.911 114.7 47.1 -67.6 -45.0 8.4 45.6 13.9 108 112 A V H X S+ 0 0 67 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.896 115.0 47.5 -64.3 -40.9 6.5 42.8 12.2 109 113 A G H X S+ 0 0 38 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.928 112.5 47.4 -66.6 -46.5 4.3 45.3 10.4 110 114 A A H X S+ 0 0 12 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.867 112.2 52.2 -61.7 -36.2 7.1 47.6 9.4 111 115 A D H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.890 106.5 52.1 -67.8 -40.7 8.9 44.4 8.1 112 116 A G H X S+ 0 0 30 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.884 111.1 48.0 -63.4 -38.6 6.0 43.3 6.0 113 117 A I H X S+ 0 0 95 -4,-1.9 4,-3.0 2,-0.2 5,-0.4 0.932 109.9 52.9 -67.2 -44.6 5.8 46.8 4.4 114 118 A M H X S+ 0 0 16 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.923 117.0 36.7 -56.1 -49.0 9.6 46.7 3.7 115 119 A I H X S+ 0 0 13 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.918 117.2 51.9 -73.1 -42.8 9.5 43.3 2.0 116 120 A G H X S+ 0 0 32 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.931 113.4 43.0 -58.8 -49.0 6.1 43.9 0.3 117 121 A T H X S+ 0 0 17 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.834 110.8 57.1 -68.2 -30.3 7.1 47.3 -1.2 118 122 A G H X S+ 0 0 8 -4,-1.3 4,-1.8 -5,-0.4 -1,-0.2 0.898 108.7 46.9 -65.6 -38.2 10.5 45.8 -2.2 119 123 A L H X S+ 0 0 58 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.892 109.1 52.6 -69.4 -41.7 8.6 43.1 -4.2 120 124 A V H X S+ 0 0 63 -4,-2.1 4,-0.6 1,-0.2 3,-0.3 0.929 111.3 48.5 -59.6 -43.0 6.3 45.7 -5.8 121 125 A G H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.875 107.1 55.5 -64.0 -37.9 9.5 47.6 -6.9 122 126 A A H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.802 116.0 37.4 -64.5 -29.9 11.1 44.4 -8.2 123 127 A L H 3< S+ 0 0 70 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.371 86.5 122.1-104.7 2.7 8.1 43.7 -10.5 124 128 A T << - 0 0 20 -3,-0.6 6,-0.1 -4,-0.6 -3,-0.0 -0.454 49.1-155.5 -70.2 136.7 7.3 47.3 -11.5 125 129 A K S S+ 0 0 139 -2,-0.2 2,-0.8 1,-0.1 -57,-0.4 0.646 74.7 78.6 -87.7 -17.2 7.4 47.9 -15.3 126 130 A V S >> S- 0 0 70 1,-0.2 4,-1.1 -59,-0.1 3,-0.9 -0.849 73.8-148.2 -97.7 109.2 8.1 51.7 -15.1 127 131 A Y H >> S+ 0 0 96 -2,-0.8 3,-1.0 1,-0.3 4,-0.7 0.845 93.8 47.2 -39.3 -60.1 11.8 52.2 -14.4 128 132 A S H >> S+ 0 0 73 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.833 107.1 59.1 -57.6 -34.5 11.6 55.4 -12.4 129 133 A Y H X> S+ 0 0 134 -3,-0.9 4,-1.7 1,-0.2 3,-0.7 0.788 91.3 70.2 -65.7 -28.9 8.8 54.0 -10.3 130 134 A R H X S+ 0 0 130 -4,-2.4 4,-3.7 1,-0.2 3,-0.8 0.941 108.8 47.2 -63.1 -49.0 15.5 52.9 14.9 147 151 A V H 3X>S+ 0 0 8 -4,-2.5 4,-1.6 1,-0.2 5,-0.7 0.877 108.4 56.2 -60.4 -38.8 13.3 50.7 17.1 148 152 A L H 3<>S+ 0 0 0 -4,-2.1 5,-1.0 3,-0.2 -1,-0.2 0.739 120.6 29.7 -65.7 -23.8 16.2 48.3 17.5 149 153 A F H <<5S+ 0 0 65 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.779 133.2 27.7-104.6 -37.7 18.4 51.1 18.9 150 154 A F H <5S+ 0 0 144 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.2 0.377 132.6 32.4-108.5 2.2 16.0 53.5 20.5 151 155 A G T <5S+ 0 0 33 -4,-1.6 -3,-0.2 -5,-0.4 -4,-0.1 0.448 132.1 24.2-132.5 -9.9 13.2 51.1 21.5 152 156 A F T >>< S+ 0 0 2 -4,-1.8 3,-0.8 1,-0.2 8,-0.3 0.871 104.9 51.9 -53.4 -34.8 18.1 44.7 27.0 157 161 A E T 3< S+ 0 0 116 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.938 98.6 58.7 -66.3 -51.8 20.1 46.6 29.6 158 162 A S T 3 S+ 0 0 95 -4,-0.5 -1,-0.3 6,-0.1 -2,-0.2 0.242 111.3 60.2 -65.8 19.5 17.3 46.8 32.1 159 163 A M S < S- 0 0 40 -3,-0.8 -3,-0.1 1,-0.2 -62,-0.1 -0.474 108.6 -37.2-127.3-162.8 17.5 43.0 31.8 160 164 A R > - 0 0 93 -2,-0.2 4,-2.1 1,-0.1 3,-0.3 -0.357 51.8-124.3 -67.3 144.5 20.1 40.3 32.4 161 165 A P H > S+ 0 0 109 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.890 110.7 48.7 -52.8 -49.8 23.8 41.2 31.6 162 166 A E H > S+ 0 0 68 1,-0.2 4,-1.6 2,-0.2 62,-0.2 0.808 110.5 53.1 -63.8 -30.9 24.3 38.2 29.3 163 167 A V H > S+ 0 0 8 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.899 108.5 50.8 -70.2 -41.3 21.1 39.1 27.5 164 168 A A H X S+ 0 0 18 -4,-2.1 4,-2.7 -8,-0.3 -2,-0.2 0.951 112.6 42.7 -62.2 -53.6 22.3 42.7 27.0 165 169 A S H X S+ 0 0 73 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.852 116.0 48.4 -65.0 -36.5 25.7 41.8 25.5 166 170 A T H X S+ 0 0 14 -4,-1.6 4,-2.5 -5,-0.2 5,-0.3 0.931 113.3 47.8 -68.8 -45.3 24.3 39.1 23.2 167 171 A F H X S+ 0 0 3 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.926 109.5 54.4 -59.7 -43.7 21.5 41.3 22.0 168 172 A K H X S+ 0 0 85 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.906 110.8 44.9 -57.3 -44.1 24.1 44.1 21.4 169 173 A V H X S+ 0 0 57 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.907 116.6 44.4 -68.5 -41.6 26.2 41.8 19.2 170 174 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.877 112.8 53.2 -69.8 -36.2 23.2 40.5 17.3 171 175 A R H X S+ 0 0 25 -4,-3.3 4,-2.6 -5,-0.3 -2,-0.2 0.924 110.6 46.7 -61.6 -46.8 21.8 44.0 17.0 172 176 A N H X S+ 0 0 71 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.906 111.9 50.6 -62.5 -44.2 25.1 45.2 15.5 173 177 A V H X S+ 0 0 36 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.909 112.0 48.1 -60.2 -44.5 25.2 42.2 13.1 174 178 A T H X S+ 0 0 2 -4,-2.6 4,-2.9 2,-0.2 5,-0.4 0.948 109.8 50.6 -63.2 -50.8 21.7 42.9 11.9 175 179 A V H X S+ 0 0 28 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.915 114.6 44.7 -54.5 -46.5 22.2 46.6 11.4 176 180 A V H X S+ 0 0 102 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.935 119.4 38.7 -65.4 -50.5 25.3 46.0 9.3 177 181 A L H >X S+ 0 0 30 -4,-2.5 3,-0.9 -5,-0.2 4,-0.8 0.934 115.8 49.9 -69.1 -46.8 24.0 43.2 7.2 178 182 A W H >< S+ 0 0 13 -4,-2.9 3,-0.9 -5,-0.3 -1,-0.2 0.873 104.8 58.3 -60.5 -39.0 20.4 44.5 6.6 179 183 A S H 3X S+ 0 0 44 -4,-1.5 4,-0.7 -5,-0.4 -1,-0.2 0.745 99.5 61.0 -63.8 -22.7 21.7 47.9 5.6 180 184 A A H S+ 0 0 18 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.857 111.9 52.6 -61.4 -30.9 19.1 48.1 -0.2 183 187 A V H X S+ 0 0 81 -4,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.934 109.9 46.7 -68.6 -44.6 22.5 49.0 -1.6 184 188 A V H X S+ 0 0 11 -4,-2.3 4,-1.5 1,-0.2 7,-0.2 0.901 113.1 50.0 -62.4 -42.5 22.8 45.7 -3.5 185 189 A W H < S+ 0 0 13 -4,-2.5 6,-0.8 1,-0.2 8,-0.3 0.897 109.8 51.7 -61.7 -43.7 19.3 46.1 -4.9 186 190 A L H < S+ 0 0 54 -4,-2.1 6,-3.5 -5,-0.2 7,-0.2 0.894 117.4 36.0 -63.0 -42.7 20.0 49.6 -6.0 187 191 A I H < S+ 0 0 58 -4,-2.0 8,-2.8 4,-0.2 7,-1.3 0.605 111.7 73.1 -88.5 -13.2 23.2 48.8 -7.9 188 192 A G S ><>S- 0 0 0 -4,-1.5 5,-2.6 5,-0.2 3,-1.1 -0.049 105.0 -70.3 -90.8-165.7 22.1 45.4 -9.2 189 193 A S T 3 5S+ 0 0 25 1,-0.3 -4,-0.1 4,-0.2 -3,-0.1 0.661 127.0 57.5 -59.5 -23.4 19.7 44.1 -11.8 190 194 A E T 3 5S+ 0 0 0 -5,-0.2 -1,-0.3 -6,-0.2 -4,-0.1 0.778 122.7 13.7 -79.4 -28.0 16.6 45.1 -9.8 191 195 A G T < 5S- 0 0 2 -3,-1.1 -4,-0.2 -6,-0.8 -5,-0.2 0.474 132.6 -9.6-112.1-109.9 17.7 48.8 -9.8 192 196 A A T 5S- 0 0 39 -6,-3.5 -5,-0.2 -7,-0.1 -3,-0.2 0.630 75.3-135.6 -73.9 -15.7 20.4 50.7 -11.7 193 197 A G < + 0 0 47 -5,-2.6 -5,-0.2 -8,-0.3 -4,-0.2 0.831 61.9 133.4 64.4 32.6 21.9 47.6 -13.3 194 198 A I + 0 0 126 -7,-1.3 -6,-0.2 -6,-0.2 -7,-0.1 0.755 68.3 49.9 -82.7 -26.8 25.5 48.8 -12.6 195 199 A V S S- 0 0 24 -8,-2.8 -6,-0.1 -11,-0.1 -1,-0.1 -0.934 95.4-115.2-112.9 133.5 26.4 45.3 -11.2 196 200 A P >> - 0 0 79 0, 0.0 4,-2.7 0, 0.0 3,-0.8 -0.311 25.7-110.3 -69.4 153.3 25.5 42.2 -13.2 197 201 A L H 3> S+ 0 0 11 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.802 117.2 61.5 -47.6 -37.4 23.0 39.6 -11.9 198 202 A N H 3> S+ 0 0 54 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.932 110.8 36.7 -57.4 -50.7 25.8 37.2 -11.4 199 203 A I H <> S+ 0 0 64 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.864 114.6 57.3 -72.2 -37.0 27.6 39.4 -8.9 200 204 A E H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.938 107.0 48.2 -58.4 -47.3 24.2 40.5 -7.5 201 205 A T H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.911 110.2 52.3 -60.5 -42.4 23.4 36.9 -6.7 202 206 A L H X S+ 0 0 47 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.927 109.4 49.7 -58.9 -47.0 26.8 36.4 -5.1 203 207 A L H X S+ 0 0 61 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.925 112.2 45.9 -59.0 -50.5 26.3 39.4 -2.8 204 208 A F H X S+ 0 0 1 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.862 110.5 55.2 -63.2 -35.3 22.8 38.4 -1.6 205 209 A M H X S+ 0 0 8 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.935 109.9 44.8 -64.5 -44.8 24.0 34.8 -1.0 206 210 A V H X S+ 0 0 78 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.925 116.8 46.5 -63.7 -44.5 26.9 36.0 1.3 207 211 A L H X S+ 0 0 20 -4,-2.4 4,-3.2 -5,-0.2 5,-0.2 0.944 113.1 49.0 -62.0 -50.7 24.5 38.4 3.1 208 212 A D H X S+ 0 0 0 -4,-3.3 4,-1.7 1,-0.2 5,-0.4 0.932 111.3 47.4 -56.5 -52.1 21.8 35.8 3.5 209 213 A V H X>S+ 0 0 25 -4,-2.4 5,-2.2 -5,-0.2 4,-1.7 0.914 116.7 45.2 -58.6 -41.1 24.0 33.0 4.8 210 214 A S H <>S+ 0 0 48 -4,-1.9 5,-1.7 -5,-0.2 -2,-0.2 0.926 113.9 47.6 -68.0 -45.5 25.6 35.5 7.3 211 215 A A H <5S+ 0 0 3 -4,-3.2 -1,-0.2 3,-0.2 -2,-0.2 0.687 128.4 25.4 -69.9 -18.6 22.3 37.1 8.4 212 216 A K H X5S+ 0 0 5 -4,-1.7 4,-2.0 -5,-0.2 -3,-0.2 0.818 134.3 24.1-108.9 -62.4 20.7 33.6 8.9 213 217 A V H X5S+ 0 0 20 -4,-1.7 4,-2.4 -5,-0.4 -3,-0.2 0.928 127.6 46.3 -73.5 -47.8 23.3 31.0 9.6 214 218 A G H >< S+ 0 0 64 -4,-2.0 3,-0.7 1,-0.2 4,-0.3 0.951 118.3 43.3 -59.0 -51.0 26.0 33.4 17.5 219 223 A L H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 6,-0.3 0.928 113.9 47.5 -61.7 -51.2 22.5 33.3 19.1 220 224 A L H 3< S+ 0 0 4 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.500 109.2 55.7 -73.4 -3.5 22.3 29.5 19.6 221 225 A R T << S+ 0 0 175 -4,-0.7 -1,-0.2 -3,-0.7 2,-0.2 0.404 93.0 88.8-106.1 -0.6 25.8 29.3 21.2 222 226 A S S X S- 0 0 23 -3,-1.3 3,-0.7 -4,-0.3 4,-0.0 -0.641 74.6-134.2 -99.2 157.4 25.1 31.9 23.9 223 227 A R G > S+ 0 0 59 -2,-0.2 3,-1.6 1,-0.2 -60,-0.1 0.505 90.7 89.5 -84.5 -5.1 23.7 31.3 27.4 224 228 A A G 3 S+ 0 0 6 1,-0.3 -1,-0.2 -62,-0.2 -61,-0.1 0.726 76.7 65.6 -64.4 -21.1 21.3 34.2 26.9 225 229 A I G < S+ 0 0 2 -3,-0.7 2,-0.3 -6,-0.3 -1,-0.3 0.580 89.6 80.6 -79.2 -9.2 18.7 31.9 25.4 226 230 A F < 0 0 94 -3,-1.6 -3,-0.0 -192,-0.1 0, 0.0 -0.732 360.0 360.0-100.6 149.1 18.2 30.0 28.7 227 231 A G 0 0 90 -2,-0.3 -3,-0.1 0, 0.0 -2,-0.1 -0.224 360.0 360.0 -71.6 360.0 16.1 31.0 31.7