==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 11-APR-11 3RH2 . COMPND 2 MOLECULE: HYPOTHETICAL TETR-LIKE TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA AMAZONENSIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 210 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 80.5 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 . 2 1.0 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 . 0 0.0 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 . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 1 1 1 0 0 0 0 0 0 0 2 2 0 1 0 0 1 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X 0 0 173 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 121.4 39.4 14.5 -4.7 2 2 A K >> - 0 0 106 1,-0.1 4,-2.3 4,-0.0 3,-1.0 -0.375 360.0-119.2 -64.5 140.8 38.7 11.3 -2.7 3 3 A T H 3> S+ 0 0 52 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.807 114.4 58.9 -51.6 -34.4 35.1 10.8 -1.4 4 4 A R H 3> S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.900 108.0 45.3 -62.2 -42.1 36.3 10.9 2.2 5 5 A D H <> S+ 0 0 70 -3,-1.0 4,-2.5 1,-0.2 -2,-0.2 0.881 109.4 55.2 -72.7 -35.2 37.7 14.3 1.6 6 6 A K H X S+ 0 0 96 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.880 107.9 50.4 -61.0 -35.7 34.5 15.4 -0.2 7 7 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.922 110.0 49.5 -70.1 -40.6 32.5 14.3 2.9 8 8 A I H X S+ 0 0 11 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.951 113.6 45.0 -64.0 -48.3 34.8 16.3 5.2 9 9 A Q H X S+ 0 0 68 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.932 112.7 50.0 -65.7 -42.4 34.5 19.5 3.0 10 10 A A H X S+ 0 0 4 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.884 111.5 50.8 -58.8 -37.5 30.7 19.3 2.6 11 11 A S H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.2 5,-0.3 0.950 108.8 49.6 -66.4 -46.9 30.4 18.8 6.3 12 12 A L H X S+ 0 0 7 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.967 112.4 48.1 -58.6 -47.3 32.4 21.8 7.1 13 13 A E H X S+ 0 0 97 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.940 113.7 46.4 -60.3 -48.4 30.4 24.0 4.6 14 14 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.909 114.3 47.8 -61.3 -42.2 27.0 22.8 6.0 15 15 A F H X S+ 0 0 1 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.902 112.6 49.4 -65.5 -43.0 28.1 23.3 9.6 16 16 A N H < S+ 0 0 24 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.908 115.6 42.2 -64.2 -38.9 29.5 26.8 8.9 17 17 A E H < S+ 0 0 102 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.887 133.4 15.0 -73.2 -39.6 26.3 27.9 7.1 18 18 A H H < S- 0 0 103 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.512 110.3 -92.0-119.0 -7.9 23.7 26.4 9.5 19 19 A G >< - 0 0 33 -4,-2.1 3,-1.0 -5,-0.3 4,-0.3 0.326 31.8-105.0 94.7 132.6 25.3 25.5 12.8 20 20 A E G > S+ 0 0 6 1,-0.2 3,-1.4 74,-0.2 -1,-0.1 0.848 111.6 66.4 -55.1 -42.5 26.7 22.0 13.5 21 21 A R G 3 S+ 0 0 181 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.739 100.6 48.6 -51.4 -34.4 23.8 21.0 15.9 22 22 A T G < S+ 0 0 97 -3,-1.0 2,-0.5 -4,-0.1 -1,-0.2 0.484 90.5 92.4 -92.7 0.1 21.2 21.0 13.1 23 23 A I < - 0 0 3 -3,-1.4 2,-0.2 -4,-0.3 -8,-0.0 -0.838 55.0-166.8-103.3 122.5 23.0 18.9 10.4 24 24 A T > - 0 0 80 -2,-0.5 4,-1.9 1,-0.1 5,-0.1 -0.556 35.6-112.3 -98.9 164.4 22.6 15.1 10.3 25 25 A T H > S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.836 120.0 57.8 -65.7 -29.6 24.7 12.5 8.5 26 26 A N H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 105.5 49.0 -65.0 -38.2 21.6 11.9 6.2 27 27 A H H > S+ 0 0 83 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.912 110.6 51.6 -64.5 -41.4 21.6 15.7 5.3 28 28 A I H X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.921 110.8 47.4 -61.8 -42.1 25.4 15.5 4.5 29 29 A A H X>S+ 0 0 1 -4,-2.0 5,-2.2 2,-0.2 4,-0.7 0.897 110.5 50.8 -69.2 -41.2 24.8 12.5 2.3 30 30 A A H ><5S+ 0 0 67 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.922 106.2 57.1 -61.9 -40.1 21.9 14.1 0.4 31 31 A H H 3<5S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.814 112.7 40.4 -58.5 -32.6 24.1 17.2 -0.2 32 32 A L H 3<5S- 0 0 47 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.451 113.3-118.4 -96.4 -4.3 26.7 15.0 -1.9 33 33 A D T <<5S+ 0 0 153 -3,-1.1 2,-0.3 -4,-0.7 -3,-0.2 0.946 72.0 123.8 64.1 50.6 24.1 12.9 -3.7 34 34 A I < - 0 0 39 -5,-2.2 -1,-0.3 -6,-0.1 -2,-0.1 -0.918 65.8 -97.8-134.3 160.2 25.2 9.6 -2.1 35 35 A S > - 0 0 65 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.447 31.0-119.8 -73.8 150.8 23.4 6.9 0.0 36 36 A P H > S+ 0 0 73 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.830 117.3 56.8 -62.1 -27.8 23.7 7.1 3.8 37 37 A G H > S+ 0 0 50 2,-0.2 4,-1.7 1,-0.2 -3,-0.0 0.901 102.4 53.6 -66.0 -43.7 25.3 3.6 3.5 38 38 A N H > S+ 0 0 69 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.916 110.4 48.1 -56.9 -40.9 28.0 5.0 1.2 39 39 A L H >X S+ 0 0 5 -4,-1.9 4,-2.9 1,-0.2 3,-0.6 0.905 107.7 54.5 -66.7 -38.4 28.7 7.7 3.8 40 40 A Y H 3< S+ 0 0 124 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.794 95.6 68.0 -66.3 -32.2 28.9 5.0 6.6 41 41 A Y H 3< S+ 0 0 187 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.924 116.9 24.4 -48.5 -46.4 31.5 3.2 4.6 42 42 A H H << S+ 0 0 59 -4,-0.9 2,-0.4 -3,-0.6 -2,-0.2 0.761 136.0 24.7 -91.3 -38.4 33.9 6.1 5.3 43 43 A F < - 0 0 6 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.1 -0.941 56.9-162.6-138.4 118.3 32.4 7.6 8.5 44 44 A R S S- 0 0 168 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 0.619 75.7 -4.2 -76.1 -12.8 30.3 5.7 11.1 45 45 A N S > S- 0 0 70 1,-0.1 4,-0.8 -5,-0.0 3,-0.5 -0.965 78.2 -93.2-167.9 172.4 28.8 8.7 12.8 46 46 A K H >> S+ 0 0 44 -2,-0.3 4,-2.2 1,-0.2 3,-0.7 0.858 114.7 62.3 -68.6 -37.8 29.0 12.5 12.9 47 47 A E H 3> S+ 0 0 35 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.862 97.3 57.5 -57.1 -37.1 31.6 12.8 15.6 48 48 A D H 3> S+ 0 0 48 -3,-0.5 4,-1.7 1,-0.2 -1,-0.3 0.860 107.5 48.5 -64.3 -33.0 34.1 11.0 13.5 49 49 A I H < S+ 0 0 127 -4,-1.7 3,-0.9 -5,-0.2 -2,-0.2 0.861 110.9 52.3 -78.5 -38.0 51.8 26.1 11.0 64 64 A G H 3< S+ 0 0 19 -4,-2.5 20,-0.2 1,-0.2 -2,-0.2 0.774 116.3 39.2 -68.5 -30.0 50.3 29.6 11.0 65 65 A F T 3< S+ 0 0 27 -4,-1.6 -1,-0.2 -5,-0.2 62,-0.2 -0.029 85.7 132.7-111.4 32.1 51.8 30.5 14.4 66 66 A K < - 0 0 121 -3,-0.9 -3,-0.1 1,-0.1 54,-0.0 -0.562 64.0-101.6 -81.6 142.4 55.1 28.8 14.0 67 67 A P - 0 0 42 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.326 41.2-107.9 -60.3 149.3 58.3 30.8 14.9 68 68 A Y - 0 0 12 1,-0.1 5,-0.0 59,-0.1 9,-0.0 -0.649 33.2-178.3 -90.6 129.9 60.2 32.2 12.0 69 69 A A S S- 0 0 83 -2,-0.4 -1,-0.1 3,-0.0 0, 0.0 0.723 73.8 -12.0 -86.1-109.2 63.6 30.8 10.9 70 70 A D S S+ 0 0 151 2,-0.0 3,-0.1 3,-0.0 -2,-0.1 0.394 94.0 126.7 -80.4 5.8 65.4 32.5 8.0 71 71 A Q - 0 0 99 1,-0.1 2,-0.2 6,-0.0 -3,-0.0 -0.255 66.9-111.6 -61.2 152.3 62.6 34.8 6.8 72 72 A K - 0 0 159 1,-0.1 2,-1.5 0, 0.0 5,-0.2 -0.601 31.9-113.9 -79.6 144.5 63.4 38.5 6.5 73 73 A V + 0 0 46 -2,-0.2 2,-0.2 4,-0.1 -1,-0.1 -0.640 68.1 125.9 -89.4 88.9 61.5 40.5 9.2 74 74 A D S >> S- 0 0 48 -2,-1.5 4,-1.5 1,-0.0 3,-1.0 -0.727 75.7 -79.7-133.3-179.9 59.2 42.6 6.9 75 75 A L H 3> S+ 0 0 58 1,-0.3 4,-2.7 -2,-0.2 3,-0.3 0.880 122.3 57.4 -51.5 -45.0 55.6 43.5 6.3 76 76 A E H 3> S+ 0 0 153 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.805 105.5 51.5 -62.5 -28.5 54.8 40.3 4.5 77 77 A L H <> S+ 0 0 13 -3,-1.0 4,-0.9 2,-0.2 -1,-0.3 0.862 111.1 47.0 -73.4 -40.9 55.9 38.2 7.5 78 78 A L H >X S+ 0 0 9 -4,-1.5 4,-1.6 -3,-0.3 3,-0.8 0.916 109.1 53.7 -69.1 -41.9 53.7 40.2 9.9 79 79 A X H 3X S+ 0 0 52 -4,-2.7 4,-3.1 1,-0.3 -1,-0.2 0.841 100.2 62.9 -64.2 -29.7 50.7 40.0 7.6 80 80 A S H 3X S+ 0 0 53 -4,-1.1 4,-1.3 1,-0.2 -1,-0.3 0.854 103.3 47.4 -64.5 -35.8 51.0 36.2 7.4 81 81 A Y H < S+ 0 0 41 -4,-2.3 3,-1.1 -5,-0.2 -2,-0.2 0.948 116.3 47.0 -79.4 -45.6 36.4 32.1 9.3 91 91 A Q H 3< S+ 0 0 73 -4,-2.7 3,-0.2 1,-0.2 -3,-0.2 0.796 125.4 31.8 -72.0 -22.9 37.2 28.6 8.0 92 92 A F T >X S+ 0 0 0 -4,-1.3 3,-1.8 -5,-0.4 4,-1.2 0.070 76.4 133.1-121.8 32.4 36.2 26.9 11.3 93 93 A R H <> + 0 0 49 -3,-1.1 4,-1.7 1,-0.3 5,-0.2 0.744 65.7 63.6 -56.8 -27.7 33.5 29.3 12.5 94 94 A F H 3> S+ 0 0 7 -3,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.869 104.3 51.5 -62.4 -32.2 31.0 26.6 13.4 95 95 A X H X4 S+ 0 0 1 -3,-1.8 3,-0.9 1,-0.2 4,-0.5 0.971 108.6 46.4 -67.7 -58.9 33.6 25.5 16.0 96 96 A Y H 3< S+ 0 0 14 -4,-1.2 3,-0.3 1,-0.2 -1,-0.2 0.782 110.2 57.3 -53.9 -32.0 34.1 28.9 17.6 97 97 A A H 3< S+ 0 0 50 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.844 126.1 15.6 -69.7 -32.1 30.3 29.3 17.7 98 98 A N S S+ 0 0 20 -4,-0.5 4,-2.9 -3,-0.3 5,-0.2 0.922 70.4 52.8 -57.7 -54.5 33.1 25.0 21.2 100 100 A A H > S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.868 111.8 44.8 -51.7 -48.3 32.0 24.2 24.8 101 101 A D H > S+ 0 0 83 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.881 113.1 50.7 -70.1 -37.0 29.3 21.9 23.8 102 102 A I H < S+ 0 0 0 -4,-1.9 3,-0.5 1,-0.2 4,-0.3 0.949 114.6 43.9 -64.8 -44.5 31.4 20.1 21.2 103 103 A L H >< S+ 0 0 17 -4,-2.9 3,-1.6 1,-0.2 7,-0.3 0.932 108.1 58.6 -67.4 -41.0 34.2 19.5 23.7 104 104 A A H 3< S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.732 107.8 46.6 -61.8 -23.6 31.9 18.4 26.6 105 105 A R T 3< S+ 0 0 99 -4,-1.2 -1,-0.3 -3,-0.5 2,-0.3 0.404 111.4 49.6-102.5 4.3 30.5 15.5 24.5 106 106 A D <> - 0 0 9 -3,-1.6 4,-2.1 -4,-0.3 -1,-0.2 -0.744 54.1-177.8-146.8 97.3 33.8 14.1 23.2 107 107 A D H > S+ 0 0 128 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.780 85.8 53.3 -63.7 -34.9 36.7 13.4 25.6 108 108 A T H > S+ 0 0 88 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 111.4 46.1 -66.2 -48.1 39.1 12.1 22.9 109 109 A L H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.886 111.8 52.6 -61.8 -40.1 38.6 15.3 20.9 110 110 A K H X S+ 0 0 88 -4,-2.1 4,-2.3 -7,-0.3 -2,-0.2 0.920 106.6 52.0 -64.4 -44.0 39.0 17.5 24.0 111 111 A A H X S+ 0 0 60 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.902 112.3 45.1 -61.8 -42.0 42.3 15.9 25.0 112 112 A R H X S+ 0 0 134 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.912 110.6 55.6 -68.2 -38.9 43.8 16.5 21.6 113 113 A Y H X S+ 0 0 30 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.912 108.0 48.1 -59.0 -45.5 42.4 20.1 21.5 114 114 A L H X S+ 0 0 102 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.824 107.9 54.4 -66.3 -34.7 44.1 20.9 24.8 115 115 A K H X S+ 0 0 117 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.938 112.2 44.5 -65.0 -43.0 47.5 19.5 23.7 116 116 A V H X S+ 0 0 14 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.905 109.1 55.5 -67.4 -42.0 47.4 21.7 20.6 117 117 A Q H X S+ 0 0 25 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.901 109.9 47.3 -59.1 -37.8 46.3 24.8 22.5 118 118 A Q H X S+ 0 0 102 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.887 113.9 47.0 -70.1 -37.0 49.3 24.5 24.8 119 119 A A H X S+ 0 0 35 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.891 111.7 50.3 -75.0 -36.9 51.7 23.9 21.9 120 120 A V H X S+ 0 0 6 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.916 109.4 52.3 -65.0 -40.9 50.2 26.9 20.0 121 121 A L H X S+ 0 0 26 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.943 109.6 49.1 -60.1 -44.0 50.7 29.0 23.1 122 122 A E H X S+ 0 0 116 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.880 111.6 48.1 -64.8 -39.0 54.3 28.0 23.4 123 123 A Q H X S+ 0 0 45 -4,-2.0 4,-2.7 2,-0.2 3,-0.3 0.951 110.3 53.0 -63.3 -48.4 55.0 28.8 19.7 124 124 A S H X S+ 0 0 23 -4,-2.6 4,-2.3 1,-0.3 -2,-0.2 0.880 106.6 51.5 -54.7 -45.2 53.3 32.2 20.1 125 125 A I H X S+ 0 0 43 -4,-2.2 4,-1.9 2,-0.2 -1,-0.3 0.860 110.1 50.5 -59.7 -36.7 55.4 33.2 23.1 126 126 A A H X S+ 0 0 40 -4,-1.4 4,-1.9 -3,-0.3 -2,-0.2 0.940 109.0 51.1 -68.5 -43.9 58.5 32.3 21.0 127 127 A V H X S+ 0 0 11 -4,-2.7 4,-2.5 -62,-0.2 -2,-0.2 0.928 110.4 48.6 -56.2 -48.2 57.3 34.5 18.1 128 128 A L H X S+ 0 0 12 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.887 109.6 52.0 -62.8 -41.3 56.7 37.4 20.4 129 129 A N H X S+ 0 0 59 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.814 109.5 50.7 -61.2 -36.6 60.2 37.0 21.9 130 130 A Q H X S+ 0 0 53 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.938 107.1 52.3 -67.1 -47.8 61.7 37.0 18.4 131 131 A L H <>S+ 0 0 14 -4,-2.5 5,-2.3 1,-0.2 6,-1.0 0.881 109.6 51.8 -59.0 -32.6 59.9 40.2 17.4 132 132 A K H ><5S+ 0 0 68 -4,-1.7 3,-1.7 4,-0.2 -1,-0.2 0.967 109.2 48.1 -66.1 -49.6 61.4 41.7 20.6 133 133 A K H 3<5S+ 0 0 189 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.822 111.5 52.1 -55.7 -36.0 64.9 40.6 19.7 134 134 A D T 3<5S- 0 0 80 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.261 118.7-109.3 -87.2 4.9 64.4 42.0 16.1 135 135 A G T < 5S+ 0 0 36 -3,-1.7 60,-0.2 2,-0.2 -3,-0.2 0.587 88.1 111.7 79.9 13.5 63.3 45.5 17.4 136 136 A I S > - 0 0 132 -2,-0.3 3,-2.6 1,-0.1 4,-0.6 -0.519 32.4-127.2 -65.9 134.3 58.8 43.4 29.6 141 141 A D G >4 S+ 0 0 93 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.879 109.2 60.3 -51.6 -41.1 60.1 39.8 29.3 142 142 A E G 34 S+ 0 0 128 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.570 107.4 46.3 -65.5 -12.1 57.9 38.8 32.3 143 143 A R G <> S+ 0 0 123 -3,-2.6 4,-2.5 2,-0.1 -1,-0.2 0.425 82.7 89.8-108.1 -4.1 54.7 39.9 30.4 144 144 A I H S+ 0 0 45 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.904 110.4 48.6 -59.0 -44.8 53.4 35.1 28.1 146 146 A D H > S+ 0 0 85 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 110.4 50.0 -62.4 -45.7 50.4 37.1 29.4 147 147 A L H X S+ 0 0 13 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.950 111.2 50.1 -57.3 -46.0 50.1 39.2 26.1 148 148 A A H X S+ 0 0 7 -4,-2.3 4,-2.0 1,-0.3 -2,-0.2 0.919 111.6 47.0 -61.1 -46.0 50.2 36.0 24.0 149 149 A D H X S+ 0 0 82 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.3 0.848 111.3 52.4 -65.3 -33.5 47.5 34.3 26.1 150 150 A T H X S+ 0 0 72 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.932 110.4 46.7 -71.3 -42.4 45.3 37.5 26.0 151 151 A I H X S+ 0 0 13 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.899 110.3 54.0 -62.0 -39.7 45.5 37.8 22.2 152 152 A K H X S+ 0 0 58 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.925 107.5 51.2 -64.4 -36.1 44.7 34.1 22.0 153 153 A X H X S+ 0 0 117 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.866 109.1 51.2 -66.6 -34.6 41.6 34.7 24.1 154 154 A I H X S+ 0 0 37 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.971 113.1 42.9 -66.7 -54.2 40.5 37.5 21.8 155 155 A I H < S+ 0 0 17 -4,-2.2 4,-0.5 1,-0.2 3,-0.4 0.910 115.5 49.4 -58.3 -48.0 40.8 35.5 18.6 156 156 A G H < S+ 0 0 18 -4,-2.2 4,-0.3 -5,-0.3 -1,-0.2 0.877 121.7 31.8 -64.8 -34.4 39.2 32.4 20.1 157 157 A F H X S+ 0 0 104 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.422 87.2 97.1-107.6 10.7 36.2 34.2 21.6 158 158 A W H X S+ 0 0 21 -4,-1.2 4,-2.6 -3,-0.4 5,-0.2 0.922 85.4 51.3 -63.2 -44.2 35.5 37.0 19.2 159 159 A I H > S+ 0 0 2 -4,-0.5 4,-2.6 1,-0.2 5,-0.2 0.937 109.4 48.5 -60.5 -49.7 32.8 35.1 17.4 160 160 A S H > S+ 0 0 31 -4,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.892 110.5 53.2 -57.6 -38.6 30.9 34.2 20.5 161 161 A Y H >X S+ 0 0 117 -4,-2.1 4,-0.9 1,-0.2 3,-0.8 0.981 111.0 46.1 -61.6 -50.1 31.1 37.8 21.6 162 162 A K H >X S+ 0 0 52 -4,-2.6 3,-0.7 1,-0.2 4,-0.5 0.879 109.4 53.7 -61.1 -39.4 29.6 39.0 18.4 163 163 A L H 3< S+ 0 0 51 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.778 111.9 45.3 -66.5 -24.6 26.8 36.4 18.4 164 164 A T H << S+ 0 0 110 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.540 104.0 63.4 -98.0 -3.1 25.7 37.5 21.9 165 165 A Q H << S+ 0 0 120 -4,-0.9 2,-0.2 -3,-0.7 -1,-0.2 0.503 106.9 33.8 -97.2 -4.9 25.8 41.2 21.2 166 166 A S S < S- 0 0 71 -4,-0.5 0, 0.0 -3,-0.2 0, 0.0 -0.859 73.8-119.0-140.3 173.5 23.1 41.3 18.4 167 167 A S S S+ 0 0 136 -2,-0.2 2,-0.6 2,-0.0 -4,-0.1 0.497 86.6 101.2 -88.3 -5.5 19.8 39.7 17.3 168 168 A I - 0 0 59 1,-0.1 -2,-0.2 2,-0.1 -3,-0.1 -0.709 59.3-160.7 -83.5 120.5 21.6 38.6 14.0 169 169 A A + 0 0 95 -2,-0.6 2,-0.3 -5,-0.0 -1,-0.1 0.311 61.6 81.2 -82.4 6.8 22.5 34.8 14.2 170 170 A T - 0 0 114 -7,-0.0 2,-0.4 -152,-0.0 -153,-0.1 -0.900 68.6-132.2-122.7 152.5 25.2 34.9 11.4 171 171 A I - 0 0 28 -2,-0.3 2,-0.3 -81,-0.1 -2,-0.0 -0.816 19.5-161.2-101.5 129.0 28.9 35.9 11.2 172 172 A S > - 0 0 55 -2,-0.4 4,-1.4 1,-0.1 3,-0.4 -0.723 32.3-116.0-104.4 158.8 30.1 38.1 8.3 173 173 A K H > S+ 0 0 109 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.896 117.5 61.1 -61.2 -33.2 33.7 38.5 7.1 174 174 A A H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.869 99.0 53.9 -59.4 -41.0 33.4 42.2 8.2 175 175 A S H > S+ 0 0 24 -3,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.914 109.4 50.0 -58.9 -43.4 32.8 41.1 11.9 176 176 A L H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.899 108.0 50.0 -64.8 -41.5 35.9 39.1 11.8 177 177 A Y H X S+ 0 0 22 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.901 104.3 59.6 -67.3 -35.0 38.1 41.9 10.4 178 178 A E H X S+ 0 0 69 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.950 106.6 50.2 -54.1 -45.8 36.8 44.2 13.2 179 179 A G H X S+ 0 0 2 -4,-1.6 4,-1.7 1,-0.2 3,-0.3 0.902 107.9 49.7 -59.7 -50.2 38.3 41.6 15.5 180 180 A L H X S+ 0 0 1 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.890 107.0 56.9 -54.0 -42.3 41.7 41.6 13.9 181 181 A L H X S+ 0 0 25 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.837 103.8 52.8 -63.3 -30.2 41.7 45.4 14.0 182 182 A R H X S+ 0 0 100 -4,-1.4 4,-1.7 -3,-0.3 -1,-0.2 0.900 111.8 45.8 -67.7 -40.9 41.3 45.2 17.8 183 183 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.939 110.6 52.8 -67.1 -43.6 44.3 42.9 18.1 184 184 A L H X S+ 0 0 6 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.896 106.5 54.4 -60.1 -37.5 46.2 45.1 15.8 185 185 A X H X S+ 0 0 118 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.932 107.4 49.9 -57.7 -47.6 45.4 48.0 18.1 186 186 A I H < S+ 0 0 60 -4,-1.7 4,-0.4 1,-0.2 3,-0.3 0.919 112.6 46.4 -60.7 -50.0 46.8 46.1 21.1 187 187 A F H >X S+ 0 0 19 -4,-2.4 3,-2.2 1,-0.2 4,-0.8 0.895 104.5 61.8 -58.8 -40.1 50.0 45.3 19.3 188 188 A K H >< S+ 0 0 50 -4,-2.5 3,-0.8 1,-0.3 -1,-0.2 0.877 98.6 58.2 -56.8 -32.8 50.3 48.9 18.1 189 189 A A T 3< S+ 0 0 83 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.663 109.6 43.6 -71.8 -14.0 50.5 50.0 21.7 190 190 A Y T <4 S+ 0 0 92 -3,-2.2 -52,-3.2 -4,-0.4 -1,-0.2 0.401 90.4 115.5-108.4 -0.9 53.7 47.7 22.2 191 191 A S B << -A 137 0A 14 -3,-0.8 -54,-0.2 -4,-0.8 -55,-0.1 -0.214 64.9-119.8 -66.2 159.0 55.4 48.6 19.0 192 192 A T >> - 0 0 13 -56,-1.4 4,-0.7 -57,-0.2 3,-0.5 -0.510 29.4-109.0 -89.7 162.6 58.8 50.4 18.8 193 193 A P H >> S+ 0 0 98 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.902 119.6 57.4 -58.6 -44.6 59.1 53.9 17.0 194 194 A D H 34 S+ 0 0 159 1,-0.2 4,-0.2 -59,-0.1 3,-0.2 0.769 112.4 42.2 -56.3 -27.8 61.0 52.2 14.1 195 195 A S H <> S+ 0 0 5 -3,-0.5 4,-1.1 -60,-0.2 3,-0.3 0.483 84.5 91.3-104.4 -5.5 58.1 49.9 13.6 196 196 A L H X S+ 0 0 48 -4,-0.5 4,-1.2 1,-0.2 3,-0.6 0.939 102.8 49.0 -53.2 -49.2 55.0 52.8 10.2 198 198 A N H 3> S+ 0 0 33 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.777 105.8 55.4 -61.6 -34.3 54.4 49.0 9.5 199 199 A F H 3X S+ 0 0 7 -4,-1.1 4,-1.9 -3,-0.3 -1,-0.2 0.804 105.3 54.1 -70.7 -27.4 51.4 48.8 12.0 200 200 A D H