==== 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 TRANSCRIPTION REGULATOR 23-FEB-10 3LWJ . COMPND 2 MOLECULE: PUTATIVE TETR-FAMILY TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTROPHOMONAS WOLFEI SUBSP. WOLFEI; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 193 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 80.3 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 . 0 0.0 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 . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 0 0 0 1 1 0 1 0 0 0 0 0 0 1 1 1 1 0 0 0 1 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 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 8 A Q > 0 0 92 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -45.7 22.7 14.3 32.7 2 9 A N H > + 0 0 119 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.841 360.0 56.0 -55.1 -37.3 19.7 16.0 31.2 3 10 A K H > S+ 0 0 70 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.928 105.0 48.6 -61.6 -51.9 22.4 17.5 29.0 4 11 A E H > S+ 0 0 147 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.927 115.8 43.0 -54.1 -53.9 23.8 14.2 27.8 5 12 A R H X S+ 0 0 120 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.890 112.7 50.9 -62.1 -48.8 20.4 12.7 26.9 6 13 A R H X S+ 0 0 59 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.938 114.6 47.4 -51.4 -48.8 19.1 15.9 25.2 7 14 A Q H X S+ 0 0 93 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.850 107.5 53.9 -62.0 -40.8 22.3 15.8 23.2 8 15 A K H X S+ 0 0 86 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.933 109.6 48.5 -61.8 -42.7 22.1 12.2 22.3 9 16 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.919 112.8 48.7 -64.8 -41.7 18.5 12.7 20.9 10 17 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.897 111.6 47.7 -63.8 -43.8 19.7 15.8 18.9 11 18 A T H X S+ 0 0 63 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.957 114.7 46.3 -64.6 -48.2 22.8 14.0 17.4 12 19 A C H X S+ 0 0 15 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.849 112.2 51.2 -59.0 -39.7 20.7 10.9 16.4 13 20 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.926 109.8 49.6 -65.1 -46.6 18.0 13.1 14.9 14 21 A L H X S+ 0 0 22 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.958 111.3 49.6 -55.4 -51.3 20.6 15.0 12.9 15 22 A D H X S+ 0 0 82 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.892 112.8 46.0 -58.3 -44.4 22.1 11.8 11.6 16 23 A L H X>S+ 0 0 12 -4,-2.3 4,-3.0 2,-0.2 5,-0.7 0.860 109.8 54.4 -66.7 -37.3 18.6 10.3 10.6 17 24 A F H X5S+ 0 0 2 -4,-2.5 4,-1.6 1,-0.2 5,-0.2 0.951 113.0 43.6 -60.8 -48.2 17.6 13.6 8.9 18 25 A I H <5S+ 0 0 64 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.894 120.4 41.7 -59.6 -43.1 20.8 13.5 6.8 19 26 A E H <5S+ 0 0 153 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.877 132.8 15.3 -78.9 -42.9 20.4 9.7 6.0 20 27 A K H <5S- 0 0 79 -4,-3.0 4,-0.2 -5,-0.1 -3,-0.2 0.569 111.5-100.3-107.3 -15.7 16.6 9.4 5.3 21 28 A G X< - 0 0 27 -4,-1.6 4,-1.2 -5,-0.7 3,-0.2 0.258 33.2 -92.5 91.6 137.6 15.6 13.0 4.8 22 29 A Y T 4 S+ 0 0 7 1,-0.2 3,-0.3 -5,-0.2 -1,-0.1 0.842 124.6 42.8 -49.9 -44.7 13.8 15.2 7.4 23 30 A Y T 4 S+ 0 0 105 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.856 111.8 53.3 -76.4 -35.0 10.2 14.4 6.3 24 31 A N T 4 S+ 0 0 120 -4,-0.2 2,-0.4 -3,-0.2 -1,-0.2 0.586 92.3 91.0 -71.9 -17.4 10.9 10.6 5.9 25 32 A T < - 0 0 1 -4,-1.2 2,-0.2 -3,-0.3 23,-0.1 -0.738 64.1-159.5 -81.4 128.9 12.3 10.5 9.5 26 33 A S > - 0 0 44 -2,-0.4 4,-2.0 1,-0.1 3,-0.2 -0.693 32.6-116.1-101.9 161.9 9.7 9.7 12.2 27 34 A I H > S+ 0 0 46 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.863 119.6 60.7 -57.9 -35.4 9.8 10.3 16.0 28 35 A R H > S+ 0 0 58 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.906 103.2 47.4 -53.8 -51.1 9.7 6.4 16.1 29 36 A D H > S+ 0 0 45 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.894 115.0 46.6 -58.9 -45.9 13.1 6.2 14.2 30 37 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.930 112.5 47.7 -65.5 -48.2 14.7 8.8 16.4 31 38 A I H X S+ 0 0 34 -4,-3.0 4,-2.4 2,-0.2 6,-0.4 0.951 114.7 48.5 -59.6 -46.6 13.4 7.2 19.7 32 39 A A H < S+ 0 0 70 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.912 116.7 40.6 -58.4 -47.9 14.6 3.7 18.5 33 40 A L H < S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.799 117.8 48.4 -73.4 -28.9 18.1 5.0 17.4 34 41 A S H < S- 0 0 0 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.812 88.4-157.3 -76.1 -33.4 18.4 7.2 20.6 35 42 A E < + 0 0 154 -4,-2.4 -3,-0.1 -5,-0.2 -4,-0.1 0.558 53.4 124.2 63.8 13.9 17.3 4.4 22.9 36 43 A V S S- 0 0 26 -5,-0.4 4,-0.3 1,-0.2 -1,-0.1 0.619 76.4-108.2 -77.2 -10.6 16.2 6.9 25.6 37 44 A G > - 0 0 37 -6,-0.4 4,-2.0 3,-0.1 -1,-0.2 0.083 22.9 -93.7 93.8 149.9 12.6 5.3 25.7 38 45 A T H > S+ 0 0 89 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.939 122.9 49.6 -63.9 -46.8 9.3 6.8 24.5 39 46 A G H 4 S+ 0 0 48 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.849 112.9 44.6 -59.2 -44.6 8.4 8.3 27.9 40 47 A T H >> S+ 0 0 34 -4,-0.3 3,-1.5 1,-0.2 4,-0.7 0.879 106.0 61.4 -69.4 -42.3 11.8 10.1 28.5 41 48 A F H >X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.3 3,-1.5 0.905 101.5 54.3 -45.9 -46.0 11.9 11.4 24.9 42 49 A Y H 3< S+ 0 0 125 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.595 92.1 69.8 -73.0 -12.7 8.7 13.3 25.7 43 50 A N H <4 S+ 0 0 132 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.751 117.9 24.4 -66.9 -24.6 10.2 15.0 28.8 44 51 A Y H << S+ 0 0 50 -3,-1.5 2,-0.3 -4,-0.7 -2,-0.2 0.784 129.4 22.6-105.5 -44.3 12.3 16.9 26.1 45 52 A F < - 0 0 1 -4,-2.6 -1,-0.3 1,-0.1 3,-0.1 -0.981 40.3-165.2-139.2 143.5 10.4 16.9 22.8 46 53 A V S S- 0 0 101 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.743 79.1 -23.9 -96.3 -27.0 6.8 16.6 21.6 47 54 A D S > S- 0 0 56 -21,-0.0 4,-1.1 -20,-0.0 3,-0.3 -0.894 80.8 -70.3-164.9-172.6 7.7 16.0 17.8 48 55 A K H > S+ 0 0 27 -2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.844 124.0 57.9 -62.9 -37.0 10.4 16.5 15.1 49 56 A E H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.835 101.9 54.6 -67.2 -32.3 9.7 20.2 14.9 50 57 A D H > S+ 0 0 42 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.872 109.8 48.8 -63.5 -36.4 10.6 20.6 18.6 51 58 A I H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.961 110.6 48.8 -69.1 -47.1 13.9 18.8 17.7 52 59 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.914 110.8 50.9 -57.7 -47.5 14.6 21.1 14.8 53 60 A K H X S+ 0 0 51 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.889 112.1 47.8 -56.9 -41.9 13.8 24.3 16.9 54 61 A N H X S+ 0 0 31 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.893 110.2 50.8 -68.6 -41.5 16.2 23.0 19.6 55 62 A L H X S+ 0 0 11 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.924 115.2 44.0 -58.2 -43.8 19.0 22.2 17.0 56 63 A L H X S+ 0 0 3 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.817 108.5 56.5 -77.4 -31.2 18.7 25.7 15.6 57 64 A E H X S+ 0 0 84 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.915 109.6 46.2 -59.1 -47.6 18.5 27.4 19.0 58 65 A D H X S+ 0 0 53 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.886 113.0 51.7 -60.6 -39.9 21.8 25.9 20.0 59 66 A F H X S+ 0 0 2 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.941 110.9 45.0 -65.0 -51.8 23.2 26.9 16.5 60 67 A A H X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.895 112.4 54.2 -56.3 -42.4 22.1 30.6 16.9 61 68 A K H X S+ 0 0 134 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.881 108.5 47.1 -63.0 -41.4 23.5 30.5 20.4 62 69 A Q H X S+ 0 0 60 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.903 113.9 48.0 -68.5 -41.1 26.9 29.3 19.2 63 70 A I H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.959 115.2 44.9 -59.2 -52.2 27.0 32.0 16.4 64 71 A I H X S+ 0 0 30 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.863 114.7 47.2 -67.1 -37.1 26.0 34.8 18.7 65 72 A S H X S+ 0 0 43 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.855 108.6 54.0 -76.1 -35.2 28.3 33.8 21.6 66 73 A S H X S+ 0 0 29 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.941 114.0 42.6 -59.3 -45.5 31.4 33.4 19.3 67 74 A I H X S+ 0 0 4 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.952 114.6 49.9 -65.8 -49.9 30.8 36.9 17.9 68 75 A S H X S+ 0 0 45 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.874 109.9 51.4 -59.8 -39.7 30.1 38.4 21.4 69 76 A E H >< S+ 0 0 123 -4,-2.7 3,-1.1 1,-0.2 4,-0.3 0.902 108.0 51.5 -61.4 -42.5 33.2 36.8 22.8 70 77 A Y H >X S+ 0 0 52 -4,-1.7 4,-2.8 1,-0.2 3,-1.7 0.867 100.9 63.5 -62.8 -37.2 35.3 38.3 20.0 71 78 A Y H 3< S+ 0 0 38 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.692 90.5 67.3 -58.5 -23.6 33.9 41.7 20.8 72 79 A L T << S+ 0 0 135 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.691 115.9 24.6 -70.9 -20.2 35.5 41.6 24.3 73 80 A V T <4 S+ 0 0 113 -3,-1.7 2,-0.6 -4,-0.3 -2,-0.2 0.772 115.4 58.4-116.1 -43.5 38.9 41.8 22.6 74 81 A E < + 0 0 61 -4,-2.8 -1,-0.2 1,-0.1 6,-0.0 -0.809 51.9 170.4 -95.5 123.6 38.6 43.5 19.2 75 82 A K + 0 0 126 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.1 0.649 43.5 104.4-106.5 -18.4 37.1 47.0 19.5 76 83 A D > - 0 0 87 1,-0.2 4,-2.3 2,-0.1 5,-0.1 -0.493 62.3-150.0 -65.4 124.0 37.6 48.4 15.9 77 84 A L H > S+ 0 0 24 -2,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.811 92.8 50.4 -74.5 -29.1 34.1 48.2 14.5 78 85 A Y H > S+ 0 0 87 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.872 109.3 50.9 -70.0 -44.0 35.3 47.7 10.9 79 86 A E H > S+ 0 0 83 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.932 112.4 48.4 -57.5 -44.4 37.6 44.8 11.9 80 87 A R H X S+ 0 0 23 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.888 105.1 59.3 -58.4 -42.7 34.6 43.3 13.7 81 88 A F H X S+ 0 0 20 -4,-1.7 4,-0.5 1,-0.2 -2,-0.2 0.916 115.7 32.8 -57.0 -47.3 32.4 43.8 10.6 82 89 A I H >X S+ 0 0 21 -4,-1.9 4,-1.3 2,-0.2 3,-1.2 0.961 119.7 47.1 -72.8 -57.2 34.6 41.7 8.4 83 90 A E H 3X S+ 0 0 45 -4,-2.6 4,-2.7 1,-0.3 -2,-0.2 0.786 102.6 62.7 -65.9 -30.2 35.9 39.1 10.8 84 91 A T H 3X S+ 0 0 4 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.3 0.828 101.1 54.9 -62.1 -27.5 32.6 38.3 12.4 85 92 A K H < S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 7,-0.4 0.948 109.9 48.6 -52.0 -51.0 28.5 26.8 9.8 93 100 A A H >< S+ 0 0 15 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.804 106.7 54.9 -63.0 -33.0 31.4 24.6 8.8 94 101 A Q H 3< S+ 0 0 134 -4,-1.9 -1,-0.3 1,-0.3 2,-0.2 0.734 113.5 43.8 -71.1 -22.6 31.8 23.1 12.4 95 102 A N T + 0 0 87 -3,-0.7 4,-2.2 2,-0.2 -1,-0.1 0.875 68.4 48.4 -64.1 -43.2 28.2 20.8 8.6 97 104 A T H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 115.1 45.8 -69.5 -38.8 25.4 18.3 8.7 98 105 A L H > S+ 0 0 4 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.891 109.7 54.9 -66.7 -41.8 23.0 20.9 10.4 99 106 A S H X S+ 0 0 0 -4,-2.6 4,-1.9 -7,-0.4 -2,-0.2 0.895 108.3 51.0 -56.8 -41.4 24.1 23.5 7.8 100 107 A E H X S+ 0 0 38 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.967 110.9 45.4 -60.7 -52.2 23.1 21.0 5.2 101 108 A I H >X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 3,-1.3 0.949 113.5 50.9 -57.4 -49.3 19.6 20.4 6.7 102 109 A Y H 3X S+ 0 0 4 -4,-3.3 4,-0.6 1,-0.3 -1,-0.2 0.851 112.4 47.9 -50.0 -40.2 19.1 24.2 7.2 103 110 A S H 3< S+ 0 0 20 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.539 116.8 42.2 -82.5 -11.7 20.1 24.6 3.5 104 111 A R H << S+ 0 0 138 -3,-1.3 -2,-0.2 -4,-0.9 -1,-0.2 0.751 109.2 50.5-104.9 -32.6 17.8 21.9 2.2 105 112 A V H >< S+ 0 0 10 -4,-2.3 3,-1.9 -5,-0.2 4,-0.4 0.528 73.2 122.6 -93.9 -5.0 14.5 22.3 4.2 106 113 A A T 3< S+ 0 0 49 -4,-0.6 7,-0.0 1,-0.3 -3,-0.0 -0.351 85.1 9.4 -56.8 130.9 13.8 26.1 3.6 107 114 A G T 3 S+ 0 0 61 2,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.503 94.8 118.4 75.3 7.8 10.4 26.7 1.9 108 115 A S S < S- 0 0 54 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.873 83.0 -20.4 -77.4 -41.4 9.4 23.0 2.4 109 116 A S > - 0 0 37 -4,-0.4 4,-2.8 1,-0.1 -1,-0.3 -0.968 64.0-104.9-162.2 161.8 6.3 23.5 4.6 110 117 A A H > S+ 0 0 66 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.877 115.8 51.8 -65.7 -38.3 4.9 26.2 6.9 111 118 A P H > S+ 0 0 65 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.906 114.9 42.3 -64.9 -36.2 5.8 24.4 10.2 112 119 A I H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.922 113.9 51.7 -75.4 -41.0 9.4 24.0 9.2 113 120 A D H X S+ 0 0 55 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.892 105.7 56.1 -59.4 -37.6 9.5 27.5 7.8 114 121 A Q H X S+ 0 0 115 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.907 109.0 48.0 -57.8 -43.2 8.1 28.8 11.1 115 122 A C H X S+ 0 0 2 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.935 112.1 46.7 -64.7 -45.8 11.1 27.0 12.8 116 123 A L H X S+ 0 0 3 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.867 107.8 60.2 -65.0 -29.5 13.7 28.5 10.4 117 124 A K H X S+ 0 0 123 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.887 103.5 48.8 -67.3 -37.3 11.9 31.9 10.9 118 125 A Q H X S+ 0 0 105 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.917 114.2 45.9 -67.4 -42.8 12.7 31.9 14.6 119 126 A F H X S+ 0 0 7 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.978 117.6 42.9 -59.9 -55.7 16.3 31.0 14.0 120 127 A E H X S+ 0 0 35 -4,-3.0 4,-3.2 1,-0.2 -2,-0.2 0.890 111.4 53.7 -61.5 -41.6 16.7 33.7 11.2 121 128 A D H X S+ 0 0 64 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.867 108.2 52.4 -60.9 -37.2 14.8 36.4 13.1 122 129 A R H X S+ 0 0 99 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.933 112.5 42.8 -65.9 -47.4 17.1 35.9 16.1 123 130 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.927 113.8 53.0 -61.7 -46.4 20.2 36.3 13.9 124 131 A L H X S+ 0 0 18 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.905 109.0 48.7 -57.6 -43.8 18.6 39.3 12.1 125 132 A E H X S+ 0 0 62 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.933 112.8 48.2 -63.0 -47.1 17.9 41.0 15.4 126 133 A F H X S+ 0 0 30 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.944 111.8 48.7 -57.0 -48.7 21.5 40.4 16.6 127 134 A Y H X S+ 0 0 11 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.907 110.2 53.6 -61.0 -37.8 22.9 41.7 13.3 128 135 A S H X S+ 0 0 14 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.937 105.7 51.9 -60.6 -45.6 20.6 44.7 13.6 129 136 A R H X S+ 0 0 121 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.929 111.7 47.8 -57.4 -45.7 21.9 45.6 17.1 130 137 A N H X S+ 0 0 37 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.871 112.3 47.3 -67.9 -37.0 25.5 45.5 15.9 131 138 A I H X S+ 0 0 12 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.909 111.1 53.2 -65.9 -41.4 24.8 47.6 12.9 132 139 A E H X S+ 0 0 80 -4,-2.9 4,-2.7 1,-0.2 3,-0.5 0.935 106.0 52.6 -58.1 -47.7 22.9 50.1 15.1 133 140 A Y H X S+ 0 0 116 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.920 108.4 51.0 -53.5 -46.6 25.9 50.3 17.4 134 141 A G H <>S+ 0 0 1 -4,-1.7 6,-2.5 2,-0.2 5,-1.9 0.794 109.4 50.4 -63.9 -30.4 28.2 51.2 14.5 135 142 A I H ><5S+ 0 0 26 -4,-1.6 3,-1.5 -3,-0.5 -1,-0.2 0.926 110.6 49.7 -70.4 -47.1 25.8 53.9 13.3 136 143 A K H 3<5S+ 0 0 181 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.764 108.9 52.0 -61.2 -30.6 25.7 55.4 16.8 137 144 A K T 3<5S- 0 0 127 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.285 114.7-115.5 -91.8 6.0 29.6 55.4 17.0 138 145 A G T < 5S+ 0 0 66 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.551 90.9 106.1 76.1 10.1 29.8 57.2 13.6 139 146 A V S - 0 0 99 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 -0.363 46.0-155.9 -56.5 132.7 17.8 51.6 7.3 145 152 A V H >> S+ 0 0 26 2,-0.2 4,-2.2 1,-0.2 3,-0.6 0.865 78.0 66.6 -85.8 -41.0 19.2 48.6 9.2 146 153 A S H 3> S+ 0 0 61 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.888 99.0 52.7 -56.0 -43.7 16.9 45.8 8.4 147 154 A P H 3> S+ 0 0 76 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.877 110.7 49.2 -58.0 -36.7 17.9 45.6 4.7 148 155 A I H S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 5,-0.5 0.947 109.0 50.6 -58.4 -48.5 26.4 28.1 2.5 161 168 A Y H X>S+ 0 0 87 -4,-2.2 5,-2.1 1,-0.2 4,-2.0 0.921 108.5 51.1 -58.5 -43.1 23.9 26.4 0.2 162 169 A K H <5S+ 0 0 63 -4,-1.9 6,-2.6 3,-0.2 7,-1.0 0.801 117.3 40.1 -67.2 -28.0 26.3 26.5 -2.8 163 170 A W H X5S+ 0 0 33 -4,-1.5 4,-0.5 -3,-0.3 -2,-0.2 0.965 126.8 27.9 -79.8 -61.0 29.1 24.9 -0.7 164 171 A V H <5S+ 0 0 1 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.763 134.5 26.3 -81.2 -29.5 27.3 22.3 1.3 165 172 A V T < - 0 0 74 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.469 33.2-108.0 -85.5 161.1 34.9 25.2 -1.9 171 178 A K H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.895 124.1 51.1 -48.0 -45.6 34.7 26.1 1.8 172 179 A E H > S+ 0 0 127 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.917 108.0 49.2 -62.0 -48.7 37.5 28.6 1.0 173 180 A E H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.851 111.6 51.5 -58.4 -35.5 35.7 30.1 -2.0 174 181 A X H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.927 111.1 45.7 -69.6 -44.7 32.6 30.5 0.2 175 182 A I H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.966 114.4 49.1 -63.0 -48.1 34.5 32.3 2.9 176 183 A E H X S+ 0 0 71 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.896 110.6 50.5 -58.7 -44.9 36.3 34.5 0.4 177 184 A X H X S+ 0 0 75 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.923 111.4 47.4 -57.7 -49.7 33.1 35.5 -1.4 178 185 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.924 114.9 45.1 -63.4 -43.7 31.4 36.4 1.8 179 186 A L H X S+ 0 0 24 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.894 111.9 52.6 -68.0 -38.5 34.3 38.5 3.1 180 187 A S H X S+ 0 0 60 -4,-2.8 4,-2.3 -5,-0.3 5,-0.2 0.941 108.8 49.7 -63.1 -47.0 34.8 40.2 -0.3 181 188 A F H X S+ 0 0 69 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.907 110.6 49.0 -57.8 -44.9 31.2 41.2 -0.4 182 189 A H H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.889 109.6 53.7 -65.8 -32.7 31.2 42.7 3.1 183 190 A K H X S+ 0 0 89 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.955 111.8 43.7 -61.5 -52.2 34.4 44.6 2.2 184 191 A T H X S+ 0 0 40 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.880 111.7 53.8 -61.5 -40.3 32.8 46.2 -0.8 185 192 A L H < S+ 0 0 60 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.900 111.4 47.5 -58.3 -42.3 29.6 46.9 1.2 186 193 A A H < S+ 0 0 42 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.928 120.0 34.8 -62.4 -53.5 31.7 48.7 3.7 187 194 A V H < S- 0 0 98 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.714 115.2-117.6 -79.3 -21.7 33.7 50.8 1.3 188 195 A G < - 0 0 29 -4,-2.5 -3,-0.1 -5,-0.3 -2,-0.1 0.354 5.1-112.7 89.5 140.4 30.8 51.3 -1.2 189 196 A L S S+ 0 0 156 -4,-0.1 2,-0.1 3,-0.0 -1,-0.1 0.819 90.9 85.5 -74.4 -35.0 30.5 50.2 -4.8 190 197 A L - 0 0 126 1,-0.1 3,-0.1 2,-0.0 0, 0.0 -0.450 69.5-145.9 -70.7 139.6 30.4 53.7 -6.2 191 198 A V S S+ 0 0 145 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.965 87.4 41.0 -61.4 -53.8 33.8 55.3 -7.0 192 199 A V 0 0 122 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 -0.856 360.0 360.0-107.2 125.5 32.3 58.7 -6.0 193 200 A N 0 0 138 -2,-0.5 -1,-0.1 -3,-0.1 -2,-0.1 0.086 360.0 360.0-155.3 360.0 30.0 59.7 -3.2