==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 23-MAY-11 3S5R . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR TETR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTROPHUS ACIDITROPHICUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 393 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17094.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 71.0 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 . 4 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 . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 54.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.8 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 2 2 2 2 0 4 0 2 0 2 0 2 2 2 2 0 0 0 0 0 0 0 0 0 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 . 2 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 K 0 0 149 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-125.5 24.4 36.0 117.9 2 9 A N > + 0 0 98 1,-0.2 4,-1.4 2,-0.1 5,-0.1 -0.551 360.0 179.7 -72.3 103.7 21.3 35.1 115.6 3 10 A T H > S+ 0 0 37 -2,-0.8 4,-2.2 2,-0.2 5,-0.2 0.882 77.3 55.5 -70.8 -43.5 20.8 31.4 116.1 4 11 A R H > S+ 0 0 60 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.895 111.4 43.0 -58.8 -46.8 17.8 31.1 113.7 5 12 A E H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.859 112.6 53.6 -69.0 -38.1 19.7 32.6 110.7 6 13 A L H X S+ 0 0 80 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.888 110.9 45.9 -62.7 -42.8 22.9 30.5 111.5 7 14 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.756 110.8 53.2 -74.8 -26.3 20.9 27.3 111.4 8 15 A L H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.855 110.4 46.9 -74.7 -36.3 19.1 28.3 108.2 9 16 A D H X S+ 0 0 79 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.854 113.6 49.2 -68.7 -36.3 22.5 28.9 106.5 10 17 A A H X S+ 0 0 8 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.785 109.8 52.9 -70.5 -32.5 23.6 25.5 107.9 11 18 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.955 110.5 44.5 -68.8 -51.8 20.4 23.9 106.5 12 19 A T H X S+ 0 0 4 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.825 115.2 49.8 -62.4 -36.9 20.9 25.2 102.9 13 20 A T H X S+ 0 0 61 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.948 114.6 42.1 -67.9 -52.1 24.6 24.2 102.9 14 21 A L H X S+ 0 0 18 -4,-2.0 4,-2.1 1,-0.2 5,-0.4 0.835 113.8 52.7 -66.1 -35.3 24.0 20.6 104.2 15 22 A F H X S+ 0 0 1 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.829 110.7 48.0 -69.4 -32.2 21.0 20.1 101.9 16 23 A A H < S+ 0 0 7 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.761 114.5 46.7 -77.2 -26.7 23.1 21.2 98.9 17 24 A E H < S+ 0 0 121 -4,-1.3 -2,-0.2 2,-0.1 -3,-0.1 0.845 136.6 1.3 -84.3 -38.4 26.0 18.9 99.9 18 25 A Q H < S- 0 0 70 -4,-2.1 4,-0.3 1,-0.1 -3,-0.2 0.413 104.4-103.4-134.8 1.3 24.1 15.6 100.7 19 26 A G X - 0 0 5 -4,-1.3 4,-0.7 -5,-0.4 -1,-0.1 0.017 29.4 -90.9 89.8 160.1 20.3 16.2 100.0 20 27 A I T >4 S+ 0 0 3 2,-0.2 3,-1.2 1,-0.2 -1,-0.1 0.960 117.8 56.7 -73.3 -55.9 17.3 16.7 102.3 21 28 A A T 34 S+ 0 0 101 1,-0.3 -1,-0.2 -6,-0.1 -2,-0.1 0.786 112.3 43.6 -46.5 -40.6 16.2 13.1 102.8 22 29 A A T 34 S+ 0 0 67 -4,-0.3 2,-0.5 -7,-0.1 -1,-0.3 0.694 100.6 82.6 -80.7 -24.7 19.7 12.1 104.1 23 30 A T << - 0 0 0 -3,-1.2 2,-0.2 -4,-0.7 -8,-0.0 -0.762 64.9-157.5 -91.6 125.1 20.1 15.2 106.4 24 31 A T > - 0 0 76 -2,-0.5 4,-1.4 1,-0.1 3,-0.5 -0.623 27.3-120.8 -93.8 156.6 18.5 15.1 109.9 25 32 A X H > S+ 0 0 13 1,-0.2 4,-1.5 -2,-0.2 5,-0.1 0.751 115.4 59.7 -69.4 -21.6 17.6 18.3 111.9 26 33 A A H > S+ 0 0 51 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.826 103.9 50.1 -71.8 -34.0 20.0 17.0 114.7 27 34 A E H > S+ 0 0 76 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.854 107.3 53.5 -71.2 -40.2 22.9 17.0 112.1 28 35 A I H < S+ 0 0 0 -4,-1.4 4,-0.4 2,-0.2 -2,-0.2 0.900 111.8 45.2 -61.3 -46.3 22.2 20.7 111.0 29 36 A A H ><>S+ 0 0 0 -4,-1.5 5,-2.8 1,-0.2 3,-1.0 0.896 113.5 49.1 -65.4 -43.9 22.3 21.9 114.7 30 37 A A H ><5S+ 0 0 68 -4,-1.7 3,-1.1 1,-0.2 -1,-0.2 0.779 100.0 66.0 -67.4 -31.3 25.5 19.9 115.5 31 38 A S T 3<5S+ 0 0 63 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.642 111.2 35.4 -67.5 -17.2 27.3 21.2 112.3 32 39 A V T < 5S- 0 0 49 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.208 118.6-107.5-120.0 11.9 27.3 24.8 113.8 33 40 A G T < 5S+ 0 0 74 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.831 73.7 138.6 63.9 37.8 27.8 23.7 117.5 34 41 A V < - 0 0 27 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.2 -0.885 60.4-104.8-114.0 142.1 24.2 24.5 118.5 35 42 A N >> - 0 0 110 -2,-0.3 3,-2.3 1,-0.1 4,-0.6 -0.448 25.9-126.7 -64.8 133.0 22.0 22.3 120.8 36 43 A P H 3> S+ 0 0 56 0, 0.0 4,-1.1 0, 0.0 3,-0.2 0.667 106.0 73.8 -59.1 -13.2 19.3 20.3 118.8 37 44 A A H 3> S+ 0 0 64 1,-0.2 4,-0.7 2,-0.2 -2,-0.0 0.769 92.4 54.9 -67.9 -26.3 16.7 21.9 121.2 38 45 A X H <> S+ 0 0 66 -3,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.821 102.0 54.4 -77.9 -33.8 17.1 25.2 119.4 39 46 A I H X S+ 0 0 0 -4,-0.6 4,-1.6 1,-0.2 -2,-0.2 0.843 110.6 46.4 -71.7 -32.6 16.3 23.9 115.8 40 47 A H H < S+ 0 0 101 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.710 108.7 58.2 -80.5 -18.9 13.0 22.4 117.0 41 48 A Y H < S+ 0 0 177 -4,-0.7 3,-0.2 1,-0.1 -2,-0.2 0.913 114.7 34.0 -72.3 -47.1 12.2 25.7 118.8 42 49 A Y H < S+ 0 0 77 -4,-1.7 2,-0.4 1,-0.3 -2,-0.2 0.752 129.7 37.2 -80.6 -27.0 12.5 27.8 115.6 43 50 A F < - 0 0 3 -4,-1.6 -1,-0.3 -5,-0.2 6,-0.1 -0.892 65.2-170.8-132.8 99.5 11.0 25.0 113.3 44 51 A K S S+ 0 0 83 -2,-0.4 2,-0.2 -3,-0.2 -1,-0.2 0.924 75.2 21.6 -52.1 -55.1 8.2 23.0 114.9 45 52 A T S > S- 0 0 76 1,-0.1 4,-1.0 0, 0.0 3,-0.1 -0.680 79.4-115.1-114.2 166.8 8.1 20.3 112.1 46 53 A R H > S+ 0 0 96 -2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.840 120.6 55.2 -65.8 -33.6 10.6 19.2 109.4 47 54 A D H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.799 100.1 59.6 -68.1 -34.2 8.0 20.6 106.9 48 55 A S H > S+ 0 0 39 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.819 103.0 51.9 -64.9 -35.3 8.2 24.0 108.6 49 56 A L H X S+ 0 0 2 -4,-1.0 4,-1.7 -3,-0.3 -2,-0.2 0.913 108.9 49.9 -67.1 -44.4 12.0 24.2 107.9 50 57 A L H X S+ 0 0 14 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.853 108.1 53.4 -63.1 -39.4 11.4 23.5 104.2 51 58 A D H X S+ 0 0 73 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.845 109.2 49.1 -63.4 -36.8 8.7 26.2 104.0 52 59 A T H X S+ 0 0 21 -4,-1.3 4,-3.3 2,-0.2 5,-0.3 0.846 109.5 52.3 -71.8 -36.1 11.2 28.7 105.5 53 60 A I H X>S+ 0 0 0 -4,-1.7 5,-3.1 2,-0.2 4,-1.3 0.913 111.8 46.6 -64.0 -44.8 13.9 27.6 102.9 54 61 A I H <>S+ 0 0 4 -4,-2.2 5,-2.4 3,-0.2 -2,-0.2 0.870 123.6 33.8 -66.0 -38.7 11.4 28.2 100.1 55 62 A E H <5S+ 0 0 57 -4,-1.8 -2,-0.2 3,-0.2 -3,-0.2 0.911 128.8 29.8 -85.6 -49.3 10.3 31.7 101.5 56 63 A E H <5S+ 0 0 41 -4,-3.3 -3,-0.2 3,-0.1 -2,-0.2 0.412 136.0 18.2 -97.7 -0.6 13.5 33.1 103.1 57 64 A R T X5S+ 0 0 24 -4,-1.3 4,-1.6 -5,-0.3 -3,-0.2 0.566 130.7 32.8-129.6 -63.4 16.2 31.5 100.9 58 65 A I H > S+ 0 0 136 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.870 113.4 46.8 -67.2 -36.6 14.7 35.8 97.9 61 68 A I H X S+ 0 0 7 -4,-1.6 4,-0.9 -3,-0.3 -2,-0.2 0.872 113.9 47.9 -70.3 -41.5 17.0 34.2 95.2 62 69 A I H X S+ 0 0 28 -4,-2.6 4,-1.8 2,-0.2 3,-0.4 0.904 112.7 48.4 -67.9 -42.8 14.0 33.9 92.7 63 70 A D H X S+ 0 0 90 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.887 108.2 53.1 -66.4 -41.0 12.8 37.5 93.3 64 71 A X H < S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.729 112.6 46.2 -68.8 -19.6 16.3 39.0 92.9 65 72 A I H < S+ 0 0 7 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.844 125.4 28.8 -87.2 -38.5 16.6 37.3 89.4 66 73 A W H >< S+ 0 0 8 -4,-1.8 3,-1.0 1,-0.1 -2,-0.2 0.564 99.8 82.3-102.0 -11.0 13.1 38.2 88.2 67 74 A E T 3< S+ 0 0 115 -4,-2.8 -3,-0.1 1,-0.2 -1,-0.1 0.902 85.3 57.9 -65.1 -42.5 12.4 41.6 90.0 68 75 A P T 3 S+ 0 0 65 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.632 86.8 103.5 -64.9 -6.6 14.4 43.8 87.5 69 76 A V < + 0 0 0 -3,-1.0 2,-0.2 2,-0.0 59,-0.1 -0.613 46.4 161.6 -77.3 123.8 12.0 42.4 84.8 70 77 A T - 0 0 66 -2,-0.4 61,-0.2 57,-0.1 -1,-0.0 -0.438 47.9-116.9-119.6-163.8 9.3 45.0 83.8 71 78 A G S S+ 0 0 59 -2,-0.2 -2,-0.0 59,-0.1 53,-0.0 0.315 102.0 72.8-119.4 2.2 7.0 45.1 80.8 72 79 A E + 0 0 91 2,-0.0 -1,-0.0 0, 0.0 -3,-0.0 0.308 59.5 136.1-101.7 3.7 8.4 48.5 79.5 73 80 A E - 0 0 58 1,-0.1 -4,-0.0 3,-0.0 0, 0.0 -0.331 40.8-159.2 -57.3 129.0 11.8 47.2 78.2 74 81 A D S S+ 0 0 108 1,-0.2 -1,-0.1 2,-0.0 -3,-0.0 0.727 80.8 45.0 -81.6 -26.2 12.5 48.8 74.8 75 82 A D > - 0 0 72 1,-0.1 4,-1.5 2,-0.0 3,-0.4 -0.972 61.7-167.8-123.1 114.6 15.1 46.1 73.8 76 83 A P H > S+ 0 0 16 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.796 89.6 59.9 -70.6 -27.7 14.3 42.4 74.4 77 84 A L H > S+ 0 0 35 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.782 105.4 47.4 -69.5 -31.4 17.9 41.3 73.7 78 85 A I H > S+ 0 0 95 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.913 109.1 56.3 -72.8 -42.2 19.2 43.6 76.6 79 86 A X H X S+ 0 0 4 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.827 111.8 40.9 -55.4 -42.8 16.4 42.0 78.9 80 87 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.901 112.4 55.1 -76.1 -41.3 17.7 38.5 78.2 81 88 A R H X S+ 0 0 34 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.877 111.4 45.6 -55.3 -43.4 21.4 39.5 78.4 82 89 A D H X S+ 0 0 69 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.851 111.2 51.9 -69.2 -39.9 20.7 41.0 81.9 83 90 A L H X S+ 0 0 1 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.920 110.3 48.3 -64.3 -46.2 18.7 37.9 83.0 84 91 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.905 112.9 49.2 -59.1 -46.5 21.6 35.5 82.0 85 92 A N H X S+ 0 0 81 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.878 110.4 50.0 -61.5 -42.9 24.1 37.7 83.9 86 93 A R H X S+ 0 0 45 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.779 111.0 49.5 -68.5 -31.1 21.9 37.8 87.1 87 94 A I H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.959 116.0 40.4 -72.1 -51.9 21.5 33.9 87.1 88 95 A V H X S+ 0 0 16 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.888 115.4 52.1 -64.8 -42.2 25.3 33.2 86.7 89 96 A N H X S+ 0 0 110 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.842 111.8 46.7 -63.7 -36.5 26.3 36.0 89.1 90 97 A T H X S+ 0 0 4 -4,-1.2 4,-3.2 2,-0.2 -2,-0.2 0.914 114.2 46.6 -70.5 -46.1 23.9 34.6 91.8 91 98 A C H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.767 110.6 53.7 -67.2 -31.3 25.1 31.0 91.3 92 99 A E H < S+ 0 0 51 -4,-2.0 3,-0.2 -5,-0.2 -1,-0.2 0.812 117.6 36.4 -72.8 -32.7 28.8 32.2 91.5 93 100 A T H < S+ 0 0 97 -4,-1.1 2,-0.7 1,-0.2 -2,-0.2 0.880 124.0 41.8 -84.4 -46.9 28.1 33.9 94.9 94 101 A X >< + 0 0 47 -4,-3.2 3,-1.3 1,-0.1 -1,-0.2 -0.819 67.9 179.4-109.5 87.1 25.7 31.3 96.3 95 102 A L T 3> S+ 0 0 136 -2,-0.7 4,-0.7 1,-0.3 -1,-0.1 0.638 74.6 66.8 -61.2 -23.9 27.3 27.9 95.3 96 103 A W H 3> S+ 0 0 40 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.728 85.5 73.6 -71.2 -27.7 24.4 25.9 97.1 97 104 A L H <> S+ 0 0 14 -3,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.899 96.1 43.0 -60.5 -51.3 21.8 27.2 94.5 98 105 A P H > S+ 0 0 6 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.873 118.3 46.4 -67.0 -34.1 22.8 25.0 91.4 99 106 A S H X S+ 0 0 23 -4,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.889 114.1 46.2 -70.7 -43.4 23.3 21.8 93.5 100 107 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 5,-0.4 0.779 107.7 61.0 -70.0 -28.2 20.0 22.2 95.5 101 108 A W H X>S+ 0 0 34 -4,-1.6 5,-2.2 -5,-0.2 4,-1.6 0.932 110.0 37.4 -64.4 -51.4 18.2 23.0 92.1 102 109 A I H <>S+ 0 0 6 -4,-1.4 5,-1.4 3,-0.2 -2,-0.2 0.926 120.8 47.1 -67.0 -48.0 19.0 19.6 90.5 103 110 A R H <5S+ 0 0 19 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.795 129.6 14.4 -62.7 -43.3 18.6 17.6 93.8 104 111 A E H <5S+ 0 0 15 -4,-2.1 9,-0.6 6,-0.2 8,-0.6 0.576 131.9 33.4-120.1 -12.1 15.3 19.0 95.1 105 112 A I T <5S+ 0 0 15 -4,-1.6 -3,-0.2 -5,-0.4 5,-0.2 0.829 123.3 34.6-105.8 -60.7 13.4 20.9 92.3 106 113 A V T S+ 0 0 1 -8,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.452 89.1 89.4 -93.1 -2.3 11.1 21.3 97.5 113 120 A R H > S+ 0 0 21 -9,-0.6 4,-0.9 -3,-0.3 -1,-0.2 0.905 91.8 38.5 -60.8 -52.3 9.4 20.3 94.2 114 121 A E H > S+ 0 0 73 -4,-0.4 4,-0.5 1,-0.2 3,-0.3 0.878 117.1 50.6 -68.3 -41.8 5.7 20.6 95.3 115 122 A K H 4 S+ 0 0 38 -4,-0.4 3,-0.4 1,-0.2 -1,-0.2 0.735 103.1 61.8 -68.3 -27.9 6.4 23.7 97.5 116 123 A X H >< S+ 0 0 18 -4,-1.4 3,-2.2 1,-0.2 -1,-0.2 0.870 92.6 64.7 -64.3 -42.8 8.1 25.5 94.6 117 124 A L H >< S+ 0 0 30 -4,-0.9 3,-0.7 -3,-0.3 -1,-0.2 0.759 99.7 51.1 -53.5 -37.0 4.9 25.4 92.4 118 125 A N T 3< S+ 0 0 88 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.316 112.1 48.9 -87.4 7.4 3.1 27.8 94.8 119 126 A N T < S+ 0 0 82 -3,-2.2 -1,-0.2 2,-0.0 -2,-0.2 0.005 75.3 131.4-135.9 28.1 6.0 30.3 94.7 120 127 A I < - 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0 0 0 -5,-1.1 195,-0.2 -4,-0.3 -1,-0.2 -0.562 53.5 -44.4 83.1-145.8 23.1 30.6 67.3 194 201 A L S S+ 0 0 0 193,-1.2 145,-2.5 194,-0.4 2,-0.3 0.716 111.6 93.4 -95.6 -23.8 25.4 28.3 65.3 195 202 A T B S-B 338 0B 57 193,-1.8 143,-0.2 -3,-0.4 142,-0.1 -0.569 83.9-117.2 -75.5 125.2 25.1 30.2 61.9 196 203 A N 0 0 73 141,-0.9 -1,-0.1 -2,-0.3 -2,-0.1 -0.435 360.0 360.0 -63.9 133.3 28.1 32.8 61.7 197 204 A P 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.495 360.0 360.0 -76.7 360.0 27.0 36.5 61.5 198 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 199 9 B N > 0 0 152 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 105.8 10.3 -13.6 79.8 200 10 B T H > + 0 0 49 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.883 360.0 55.4 -70.7 -43.1 10.7 -13.0 83.6 201 11 B R H > S+ 0 0 58 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.896 111.4 42.9 -58.8 -47.3 14.2 -11.4 83.4 202 12 B E H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.862 112.5 53.8 -68.8 -38.0 13.1 -8.7 80.9 203 13 B L H X S+ 0 0 78 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.888 111.3 45.2 -62.2 -43.4 9.8 -8.0 82.8 204 14 B L H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.752 111.2 53.0 -74.8 -25.6 11.8 -7.4 86.1 205 15 B L H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.856 110.5 47.1 -76.7 -34.2 14.4 -5.2 84.3 206 16 B D H X S+ 0 0 80 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.847 113.5 49.3 -70.0 -36.1 11.5 -3.1 82.9 207 17 B A H X S+ 0 0 8 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.783 109.8 52.7 -70.6 -32.2 10.0 -3.0 86.4 208 18 B A H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.956 111.0 43.9 -68.7 -52.2 13.5 -2.0 87.8 209 19 B T H X S+ 0 0 3 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.821 115.5 49.8 -62.8 -36.3 14.0 1.0 85.4 210 20 B T H X S+ 0 0 61 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.947 114.5 42.2 -68.5 -51.8 10.3 2.2 86.0 211 21 B L H X S+ 0 0 34 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.831 114.0 52.2 -66.2 -35.3 10.5 2.0 89.9 212 22 B F H X S+ 0 0 1 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.824 110.8 48.3 -70.0 -31.5 14.0 3.6 89.9 213 23 B A H < S+ 0 0 5 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.763 117.5 42.4 -76.7 -27.6 12.7 6.5 87.7 214 24 B E H < S+ 0 0 126 -4,-1.4 -2,-0.2 2,-0.1 -3,-0.2 0.855 137.3 5.5 -85.9 -43.7 9.6 7.0 90.0 215 25 B Q H < S- 0 0 54 -4,-2.5 4,-0.4 1,-0.3 -3,-0.2 0.220 104.1-110.1-131.2 14.5 11.2 6.7 93.5 216 26 B G < - 0 0 6 -4,-1.2 4,-0.3 -5,-0.3 -1,-0.3 -0.091 27.8 -89.1 81.2 175.4 15.0 6.4 93.0 217 27 B I S > S+ 0 0 2 2,-0.1 3,-1.1 83,-0.1 -1,-0.1 0.927 118.1 54.9 -87.8 -56.5 17.4 3.5 93.5 218 28 B A T 3 S+ 0 0 101 1,-0.3 -2,-0.1 -6,-0.1 -1,-0.1 0.791 113.7 43.5 -47.0 -40.3 18.4 4.0 97.2 219 29 B A T 3 S+ 0 0 80 -4,-0.4 2,-0.5 -7,-0.1 -1,-0.3 0.690 100.6 82.6 -80.8 -24.6 14.7 3.9 98.3 220 30 B T < - 0 0 9 -3,-1.1 2,-0.2 -4,-0.3 -8,-0.0 -0.761 64.9-157.7 -91.7 125.1 13.7 0.9 96.1 221 31 B T > - 0 0 76 -2,-0.5 4,-1.4 1,-0.1 3,-0.5 -0.626 27.7-120.5 -93.7 156.8 14.5 -2.7 97.3 222 32 B X H > S+ 0 0 14 1,-0.2 4,-1.5 -2,-0.2 5,-0.1 0.753 115.6 59.8 -69.6 -21.3 14.8 -5.7 95.0 223 33 B A H > S+ 0 0 51 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.828 103.8 50.2 -71.7 -34.2 11.9 -7.2 96.9 224 34 B E H > S+ 0 0 40 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.855 107.2 53.7 -71.1 -39.8 9.6 -4.3 95.9 225 35 B I H < S+ 0 0 0 -4,-1.4 4,-0.4 2,-0.2 -2,-0.2 0.900 111.7 45.2 -61.4 -46.1 10.6 -4.6 92.1 226 36 B A H ><>S+ 0 0 0 -4,-1.5 5,-2.8 1,-0.2 3,-1.0 0.896 113.4 49.4 -65.9 -43.5 9.6 -8.3 92.1 227 37 B A H ><5S+ 0 0 68 -4,-1.7 3,-1.1 1,-0.2 -1,-0.2 0.779 100.0 65.9 -67.5 -31.3 6.3 -7.6 94.0 228 38 B S T 3<5S+ 0 0 63 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.641 111.1 35.5 -67.5 -17.3 5.3 -4.7 91.6 229 39 B V T < 5S- 0 0 50 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.205 118.7-107.5-119.8 11.9 5.0 -7.3 88.7 230 40 B G T < 5S+ 0 0 74 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.827 74.0 138.2 63.8 37.8 3.6 -10.2 90.8 231 41 B V < - 0 0 26 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.2 -0.887 60.6-104.9-114.4 141.7 6.8 -12.2 90.7 232 42 B N >> - 0 0 110 -2,-0.3 3,-2.3 1,-0.1 4,-0.6 -0.444 26.2-126.1 -64.3 133.4 8.4 -14.1 93.7 233 43 B P H 3> S+ 0 0 55 0, 0.0 4,-1.1 0, 0.0 3,-0.2 0.665 106.3 73.9 -58.7 -13.2 11.5 -12.3 95.1 234 44 B A H 3> S+ 0 0 64 1,-0.2 4,-0.7 2,-0.2 -2,-0.0 0.772 92.0 55.1 -68.0 -26.9 13.4 -15.6 94.6 235 45 B X H <> S+ 0 0 66 -3,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.823 101.8 54.6 -77.5 -33.5 13.4 -14.9 90.8 236 46 B I H X S+ 0 0 0 -4,-0.6 4,-1.6 1,-0.2 -2,-0.2 0.844 110.7 46.0 -71.9 -32.5 15.1 -11.4 91.0 237 47 B H H < S+ 0 0 100 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.711 108.7 58.7 -80.9 -18.8 18.1 -12.8 93.0 238 48 B Y H < S+ 0 0 172 -4,-0.7 3,-0.2 1,-0.1 -2,-0.2 0.908 114.6 33.9 -71.7 -46.6 18.3 -15.7 90.5 239 49 B Y H < S+ 0 0 76 -4,-1.7 2,-0.4 1,-0.3 -2,-0.2 0.762 129.2 37.9 -80.9 -28.3 18.8 -13.4 87.5 240 50 B F < - 0 0 4 -4,-1.6 -1,-0.3 -5,-0.2 6,-0.1 -0.902 65.2-170.3-132.4 101.1 20.8 -10.8 89.5 241 51 B K S S+ 0 0 185 -2,-0.4 2,-0.2 -3,-0.2 -1,-0.2 0.925 74.6 22.2 -51.6 -56.8 23.2 -12.2 92.2 242 52 B T S > S- 0 0 65 1,-0.1 4,-1.0 0, 0.0 3,-0.1 -0.690 77.3-117.3-114.2 165.9 24.1 -8.8 93.8 243 53 B R H > S+ 0 0 94 -2,-0.2 4,-1.3 1,-0.2 3,-0.2 0.844 119.6 55.6 -66.1 -34.0 22.3 -5.4 93.9 244 54 B D H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.797 100.6 58.0 -67.8 -34.6 25.4 -4.0 92.1 245 55 B S H > S+ 0 0 42 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.828 103.4 53.2 -65.2 -36.3 24.9 -6.6 89.2 246 56 B L H X S+ 0 0 1 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.909 109.3 48.2 -64.3 -44.4 21.4 -5.2 88.6 247 57 B L H X S+ 0 0 14 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.862 109.7 52.5 -65.1 -39.5 22.8 -1.6 88.3 248 58 B D H X S+ 0 0 68 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.839 109.5 49.6 -64.1 -36.1 25.5 -2.9 85.8 249 59 B T H X S+ 0 0 19 -4,-1.5 4,-3.4 2,-0.2 5,-0.3 0.851 109.6 51.5 -70.5 -38.3 22.7 -4.6 83.7 250 60 B I H X>S+ 0 0 0 -4,-1.8 5,-3.2 2,-0.2 4,-1.3 0.914 112.4 46.2 -63.5 -44.9 20.8 -1.2 83.7 251 61 B I H <>S+ 0 0 7 -4,-2.2 5,-2.6 3,-0.2 -2,-0.2 0.866 124.0 33.7 -66.1 -38.5 24.0 0.7 82.5 252 62 B E H <5S+ 0 0 59 -4,-1.9 5,-0.2 3,-0.2 -2,-0.2 0.909 129.5 28.9 -86.0 -49.3 24.7 -2.0 79.8 253 63 B E H <5S+ 0 0 42 -4,-3.4 -3,-0.2 3,-0.1 -2,-0.2 0.422 136.0 19.6 -96.4 -3.0 21.2 -3.2 78.6 254 64 B R T X5S+ 0 0 29 -4,-1.3 4,-1.1 -5,-0.3 -3,-0.2 0.629 131.2 30.8-129.6 -55.3 19.1 -0.0 79.3 255 65 B I H > S+ 0 0 135 2,-0.2 4,-1.9 -5,-0.2 -1,-0.2 0.864 113.8 46.7 -65.9 -37.9 21.5 0.9 74.4 258 68 B I H X S+ 0 0 7 -4,-1.1 4,-0.9 -3,-0.3 -2,-0.2 0.874 114.2 47.1 -70.0 -42.0 19.8 4.4 74.7 259 69 B I H X S+ 0 0 24 -4,-2.6 4,-1.9 2,-0.2 3,-0.4 0.904 113.4 48.8 -67.8 -42.7 23.2 6.2 74.7 260 70 B D H X S+ 0 0 49 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.892 108.2 52.5 -64.7 -43.5 24.4 4.2 71.6 261 71 B X H < S+ 0 0 90 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.713 112.6 46.9 -69.0 -19.2 21.2 4.7 69.6 262 72 B I H < S+ 0 0 8 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.844 125.0 28.6 -87.4 -38.7 21.6 8.6 70.1 263 73 B W H >< S+ 0 0 8 -4,-1.9 3,-1.0 1,-0.1 -2,-0.2 0.570 100.1 82.4-101.9 -10.9 25.3 8.8 69.2 264 74 B E T 3< S+ 0 0 116 -4,-2.8 -3,-0.1 1,-0.2 -1,-0.1 0.900 86.0 56.8 -65.0 -42.4 25.8 5.8 66.7 265 75 B P T 3 S+ 0 0 67 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.636 86.8 101.6 -65.8 -8.2 24.5 7.7 63.6 266 76 B V < + 0 0 1 -3,-1.0 2,-0.2 2,-0.0 59,-0.1 -0.648 47.9 163.1 -79.3 121.6 27.2 10.4 64.3 267 77 B T - 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