==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 12-MAR-13 4JKZ . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, TETR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR S.F.YANG,Z.Q.GAO,Z.G.HE,Y.H.DONG . 179 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 78.2 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 . 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 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.4 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 0 0 0 1 0 2 0 0 2 1 0 2 0 0 0 0 0 1 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 . 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 11 A S 0 0 90 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-101.6 -8.8 10.0 0.9 2 12 A E + 0 0 184 3,-0.0 4,-0.3 0, 0.0 0, 0.0 0.301 360.0 42.4-146.2 -13.9 -7.1 6.7 0.1 3 13 A K S > S+ 0 0 162 2,-0.1 4,-2.0 3,-0.1 5,-0.1 0.445 96.2 75.6-115.0 -13.0 -5.4 6.0 3.4 4 14 A S H > S+ 0 0 26 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.881 96.4 51.5 -65.5 -38.6 -8.3 7.1 5.6 5 15 A R H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 3,-0.4 0.951 108.3 50.6 -61.2 -51.8 -9.9 3.7 4.7 6 16 A V H > S+ 0 0 65 -4,-0.3 4,-3.1 1,-0.2 5,-0.2 0.880 107.3 54.6 -52.9 -43.4 -6.7 1.9 5.7 7 17 A A H X S+ 0 0 32 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.855 109.2 47.3 -62.1 -37.7 -6.7 3.7 9.1 8 18 A I H X S+ 0 0 0 -4,-1.6 4,-2.8 -3,-0.4 -2,-0.2 0.924 112.9 48.3 -68.4 -46.5 -10.3 2.6 9.8 9 19 A V H X S+ 0 0 13 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.926 115.6 44.9 -59.1 -44.6 -9.5 -1.0 8.8 10 20 A E H X S+ 0 0 129 -4,-3.1 4,-2.2 2,-0.2 5,-0.2 0.885 112.5 51.0 -69.7 -37.1 -6.4 -1.0 11.0 11 21 A A H X S+ 0 0 7 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.910 112.3 47.6 -63.0 -43.0 -8.3 0.7 13.9 12 22 A T H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.925 112.5 48.5 -61.3 -47.4 -11.0 -2.0 13.7 13 23 A R H X S+ 0 0 75 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.866 114.7 44.2 -64.4 -41.1 -8.4 -4.8 13.5 14 24 A A H < S+ 0 0 37 -4,-2.2 5,-0.2 2,-0.2 -1,-0.2 0.902 112.2 52.7 -69.8 -42.4 -6.4 -3.5 16.5 15 25 A L H >X>S+ 0 0 14 -4,-2.3 4,-2.0 -5,-0.2 3,-0.7 0.785 105.8 57.4 -62.7 -30.1 -9.6 -2.8 18.5 16 26 A L H 3X5S+ 0 0 9 -4,-1.6 2,-1.0 1,-0.3 4,-0.9 0.962 110.5 40.1 -64.7 -56.0 -10.7 -6.4 17.8 17 27 A L H 3<5S+ 0 0 126 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.1 -0.442 124.2 38.6 -93.9 61.0 -7.6 -7.9 19.4 18 28 A E H <45S+ 0 0 123 -2,-1.0 -2,-0.2 -3,-0.7 -3,-0.2 0.147 132.0 15.9-163.8 -43.2 -7.5 -5.5 22.3 19 29 A R H X5S- 0 0 154 -4,-2.0 4,-0.9 1,-0.3 3,-0.2 0.406 94.1-145.3-119.2 -4.4 -11.0 -4.8 23.5 20 30 A G T << - 0 0 12 -4,-0.9 -1,-0.3 -5,-0.6 -3,-0.1 -0.295 47.0 -49.0 67.9-158.0 -12.8 -7.7 21.7 21 31 A F T >4 S+ 0 0 13 1,-0.2 3,-0.7 2,-0.0 -1,-0.2 0.845 127.8 64.6 -82.6 -36.5 -16.3 -7.3 20.3 22 32 A D T 34 S+ 0 0 132 1,-0.3 2,-0.5 -3,-0.2 -1,-0.2 0.825 106.9 44.5 -61.6 -33.9 -18.1 -5.7 23.3 23 33 A G T 3< S+ 0 0 22 -4,-0.9 -1,-0.3 -8,-0.2 2,-0.1 -0.567 89.6 98.1-108.5 67.4 -16.0 -2.6 23.1 24 34 A L < + 0 0 6 -3,-0.7 2,-0.2 -2,-0.5 -1,-0.1 -0.596 42.2 146.8-153.9 79.8 -16.1 -2.1 19.3 25 35 A S > - 0 0 62 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.673 63.6-100.8-108.5 169.8 -18.7 0.5 18.2 26 36 A I H > S+ 0 0 18 -2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.882 122.8 57.0 -57.5 -35.5 -18.5 2.9 15.3 27 37 A E H > S+ 0 0 107 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.898 106.4 46.7 -63.6 -46.4 -17.6 5.6 17.8 28 38 A A H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 116.0 46.0 -62.9 -41.7 -14.6 3.8 19.1 29 39 A V H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.927 114.1 47.5 -67.2 -47.1 -13.4 3.0 15.6 30 40 A A H X>S+ 0 0 7 -4,-3.4 4,-2.2 1,-0.2 5,-1.6 0.908 113.8 47.7 -60.8 -45.1 -14.0 6.6 14.4 31 41 A A H <5S+ 0 0 80 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.893 114.7 45.5 -65.3 -40.8 -12.2 8.1 17.4 32 42 A K H <5S+ 0 0 108 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.855 118.1 42.8 -71.8 -35.4 -9.3 5.7 17.0 33 43 A A H <5S- 0 0 23 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.755 108.1-129.3 -78.2 -27.0 -9.1 6.3 13.2 34 44 A G T <5 + 0 0 67 -4,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.641 63.9 120.1 90.6 18.6 -9.6 10.0 13.7 35 45 A V < - 0 0 26 -5,-1.6 2,-0.3 -6,-0.2 -1,-0.3 -0.610 69.3 -99.8-114.4 167.1 -12.5 10.4 11.2 36 46 A G >> - 0 0 45 -2,-0.2 3,-2.6 1,-0.1 4,-1.0 -0.665 39.3-116.8 -79.8 145.5 -16.1 11.4 11.1 37 47 A K H 3> S+ 0 0 87 1,-0.3 4,-1.5 -2,-0.3 -1,-0.1 0.743 115.1 62.6 -57.5 -24.8 -18.5 8.4 11.1 38 48 A Q H 34 S+ 0 0 144 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.653 94.6 60.3 -75.7 -18.2 -19.6 9.5 7.6 39 49 A T H X4 S+ 0 0 51 -3,-2.6 3,-0.8 2,-0.2 4,-0.3 0.865 104.0 50.9 -72.0 -37.4 -16.1 8.9 6.3 40 50 A I H >X S+ 0 0 0 -4,-1.0 4,-2.7 1,-0.2 3,-2.1 0.902 103.9 58.1 -62.3 -41.0 -16.5 5.3 7.4 41 51 A Y T 3< S+ 0 0 90 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.610 87.7 74.8 -70.4 -10.1 -19.8 5.2 5.5 42 52 A R T <4 S+ 0 0 164 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.746 118.3 16.8 -64.6 -20.4 -17.9 6.1 2.3 43 53 A W T <4 S+ 0 0 67 -3,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.698 130.0 36.3-127.3 -30.2 -16.8 2.5 2.6 44 54 A W < - 0 0 8 -4,-2.7 -1,-0.3 1,-0.1 6,-0.1 -0.997 57.7-149.1-132.0 132.9 -19.1 0.5 4.9 45 55 A P S S+ 0 0 104 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.676 80.7 4.1 -69.7 -16.9 -22.9 0.9 5.3 46 56 A S S > S- 0 0 15 -6,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.982 71.9-103.6-161.5 165.0 -22.7 -0.2 9.0 47 57 A R H > S+ 0 0 43 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.908 121.6 50.6 -61.6 -45.0 -20.6 -1.2 12.0 48 58 A H H > S+ 0 0 64 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.914 110.4 50.0 -57.8 -44.8 -21.6 -4.9 11.5 49 59 A A H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.917 112.1 47.0 -60.7 -46.3 -20.6 -4.6 7.8 50 60 A L H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.934 115.4 44.9 -62.6 -48.2 -17.2 -3.1 8.8 51 61 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.940 114.9 47.4 -62.2 -47.1 -16.5 -5.7 11.5 52 62 A A H X S+ 0 0 2 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.846 108.8 56.1 -62.2 -32.2 -17.6 -8.6 9.3 53 63 A D H X S+ 0 0 40 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.907 109.1 45.3 -71.0 -37.6 -15.5 -7.3 6.4 54 64 A V H < S+ 0 0 1 -4,-1.8 4,-0.4 2,-0.2 3,-0.3 0.934 113.6 49.3 -67.9 -45.8 -12.4 -7.3 8.5 55 65 A L H >< S+ 0 0 14 -4,-2.5 3,-1.8 1,-0.2 4,-0.2 0.887 106.2 57.7 -59.4 -39.3 -13.1 -10.8 9.9 56 66 A L H >< S+ 0 0 34 -4,-2.5 3,-1.7 1,-0.3 4,-0.2 0.877 93.1 66.8 -60.7 -36.4 -13.7 -12.0 6.4 57 67 A E T 3< S+ 0 0 78 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.709 109.7 39.5 -53.4 -18.2 -10.2 -10.9 5.4 58 68 A D T X> S+ 0 0 49 -3,-1.8 4,-1.2 -4,-0.4 3,-0.9 0.306 72.0 125.4-119.2 6.1 -9.1 -13.7 7.8 59 69 A A H X> S+ 0 0 8 -3,-1.7 4,-3.0 1,-0.2 3,-0.6 0.775 70.9 60.7 -37.5 -46.4 -11.5 -16.6 7.2 60 70 A D H 34 S+ 0 0 132 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.917 110.1 37.3 -49.3 -57.3 -8.7 -19.1 6.5 61 71 A K H <4 S+ 0 0 170 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.581 117.0 55.7 -77.4 -11.3 -7.0 -18.8 9.9 62 72 A I H << S+ 0 0 65 -4,-1.2 2,-0.3 -3,-0.6 -2,-0.2 0.890 96.0 70.8 -83.2 -47.1 -10.4 -18.6 11.5 63 73 A L S < S- 0 0 31 -4,-3.0 2,-0.1 -5,-0.2 -1,-0.0 -0.568 72.5-156.5 -78.6 128.8 -11.9 -21.8 10.1 64 74 A A - 0 0 60 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.211 14.3 -91.5 -99.5-163.8 -10.5 -25.0 11.5 65 75 A R - 0 0 201 -2,-0.1 -1,-0.1 59,-0.0 56,-0.0 -0.558 17.2-111.1-127.8 161.8 -10.3 -28.5 10.2 66 76 A M - 0 0 19 -2,-0.2 10,-0.1 2,-0.0 9,-0.1 -0.782 32.6-126.3 -95.8 126.3 -11.7 -32.0 10.0 67 77 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 12,-0.1 -0.397 21.4-155.4 -63.7 147.7 -10.1 -35.0 11.8 68 78 A K + 0 0 162 7,-0.0 2,-0.2 -2,-0.0 4,-0.1 -0.711 36.3 130.4-134.0 84.4 -9.4 -37.8 9.4 69 79 A T S S- 0 0 72 -2,-0.3 6,-0.0 2,-0.2 0, 0.0 -0.498 73.2 -90.9-117.0-172.8 -9.1 -41.2 11.1 70 80 A D S S+ 0 0 161 -2,-0.2 2,-0.6 1,-0.1 -2,-0.0 0.339 109.7 77.7 -83.2 9.1 -10.7 -44.6 10.4 71 81 A D > - 0 0 74 1,-0.1 4,-2.3 2,-0.1 -2,-0.2 -0.868 55.6-179.5-122.8 95.7 -13.6 -43.6 12.7 72 82 A V H > S+ 0 0 27 -2,-0.6 4,-2.5 1,-0.2 5,-0.3 0.838 83.9 54.7 -68.3 -31.6 -16.0 -41.2 11.0 73 83 A T H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.948 111.1 44.0 -64.6 -49.3 -18.2 -41.0 14.1 74 84 A A H > S+ 0 0 37 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.899 113.2 53.0 -60.0 -42.7 -15.3 -39.9 16.3 75 85 A D H X S+ 0 0 4 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.934 113.6 40.4 -59.0 -49.2 -14.1 -37.5 13.6 76 86 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.855 115.3 51.3 -73.6 -34.0 -17.4 -35.7 13.2 77 87 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.939 112.2 47.4 -67.3 -41.3 -18.1 -35.7 16.9 78 88 A S H X S+ 0 0 52 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.942 114.1 47.3 -61.2 -47.5 -14.7 -34.2 17.5 79 89 A W H X S+ 0 0 10 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.903 113.8 46.5 -58.4 -46.5 -15.3 -31.6 14.8 80 90 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.876 113.2 48.8 -69.4 -36.6 -18.7 -30.6 16.0 81 91 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.897 110.7 50.1 -69.2 -41.5 -17.6 -30.4 19.6 82 92 A T H X S+ 0 0 65 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.900 112.6 48.1 -63.4 -40.7 -14.6 -28.2 18.7 83 93 A L H X S+ 0 0 21 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.922 111.2 49.7 -64.5 -44.1 -16.9 -25.9 16.7 84 94 A A H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.912 112.1 49.0 -62.0 -42.4 -19.4 -25.7 19.5 85 95 A A H >< S+ 0 0 25 -4,-2.5 3,-0.9 1,-0.2 4,-0.4 0.929 111.3 49.8 -59.8 -47.0 -16.6 -24.8 21.9 86 96 A A H >< S+ 0 0 48 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.868 111.6 47.4 -63.9 -37.0 -15.2 -22.2 19.6 87 97 A L H 3< S+ 0 0 30 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.503 108.4 55.2 -86.6 -3.2 -18.6 -20.5 19.0 88 98 A T T << S+ 0 0 21 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.345 80.5 104.0-110.5 4.4 -19.5 -20.4 22.7 89 99 A T S <> S- 0 0 67 -3,-0.6 4,-2.4 -4,-0.4 5,-0.3 -0.388 89.8-108.5 -67.5 162.9 -16.3 -18.5 23.9 90 100 A R H > S+ 0 0 164 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.944 121.0 40.2 -62.6 -43.0 -17.1 -14.9 24.6 91 101 A R H > S+ 0 0 127 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 115.4 50.9 -69.3 -42.3 -15.2 -13.8 21.5 92 102 A G H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.880 111.4 47.7 -65.2 -40.4 -16.5 -16.7 19.3 93 103 A H H X S+ 0 0 31 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.905 112.3 48.3 -68.3 -42.4 -20.2 -16.0 20.2 94 104 A A H X S+ 0 0 18 -4,-1.7 4,-2.6 -5,-0.3 -2,-0.2 0.905 111.5 52.2 -67.4 -37.0 -19.9 -12.3 19.6 95 105 A M H X S+ 0 0 28 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.920 109.2 48.4 -59.9 -47.2 -18.2 -13.0 16.3 96 106 A L H X S+ 0 0 20 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.946 112.7 48.8 -60.4 -46.2 -21.0 -15.4 15.2 97 107 A K H X S+ 0 0 109 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.918 112.5 48.4 -60.8 -41.6 -23.6 -12.8 16.2 98 108 A T H X S+ 0 0 9 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.912 112.1 47.8 -65.1 -44.4 -21.8 -10.0 14.3 99 109 A L H X S+ 0 0 17 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.929 114.5 46.2 -63.1 -44.9 -21.4 -12.1 11.1 100 110 A M H X S+ 0 0 71 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.945 112.9 51.2 -63.4 -46.6 -25.1 -13.1 11.2 101 111 A A H < S+ 0 0 29 -4,-2.7 4,-0.4 -5,-0.3 -2,-0.2 0.928 112.2 45.2 -53.9 -50.6 -26.1 -9.5 11.8 102 112 A A H >X S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 4,-0.5 0.892 110.5 56.1 -59.9 -41.7 -24.0 -8.3 8.9 103 113 A S H >< S+ 0 0 18 -4,-2.5 3,-0.8 1,-0.3 7,-0.6 0.861 101.6 55.8 -58.6 -37.6 -25.4 -11.0 6.7 104 114 A L T 3< S+ 0 0 136 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.570 95.7 69.2 -77.8 -8.7 -29.0 -10.1 7.3 105 115 A E T <4 S+ 0 0 92 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.2 0.760 113.0 8.2 -80.3 -27.2 -28.4 -6.5 6.1 106 116 A H S+ 0 0 175 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.838 109.6 52.8 -61.0 -31.9 -28.2 -10.5 0.3 108 118 A D H > S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.848 108.5 49.7 -68.8 -37.6 -24.8 -9.9 -1.3 109 119 A T H > S+ 0 0 16 -3,-0.4 4,-2.5 2,-0.2 5,-0.3 0.925 109.5 51.7 -68.1 -43.7 -23.1 -9.5 2.1 110 120 A A H X S+ 0 0 32 -4,-2.5 4,-2.5 -7,-0.6 -2,-0.2 0.914 110.0 49.6 -56.8 -42.2 -24.8 -12.8 3.2 111 121 A A H X S+ 0 0 58 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.863 111.2 48.9 -66.0 -38.0 -23.5 -14.5 0.1 112 122 A R H X S+ 0 0 115 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.895 114.5 44.4 -67.8 -43.9 -19.9 -13.2 0.7 113 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92.2-149.9-109.0 -4.4 -29.5 -19.9 23.5 158 168 A G G ><< - 0 0 10 -4,-1.2 3,-1.7 -5,-0.6 -1,-0.2 -0.381 59.3 -6.5 75.0-146.6 -26.0 -18.4 23.4 159 169 A R G 3 S+ 0 0 120 1,-0.3 -1,-0.2 -2,-0.1 -71,-0.1 0.490 114.9 75.5 -77.6 -4.5 -22.9 -19.5 25.3 160 170 A S G < + 0 0 89 -3,-0.7 -1,-0.3 -6,-0.1 -2,-0.1 0.620 68.6 109.6 -78.4 -14.5 -24.6 -22.2 27.5 161 171 A Y < - 0 0 8 -3,-1.7 2,-0.3 -8,-0.1 -11,-0.0 -0.390 66.0-139.9 -58.8 139.6 -24.7 -24.5 24.4 162 172 A S > - 0 0 32 1,-0.1 4,-1.7 -2,-0.0 3,-0.5 -0.803 24.4-125.2-117.9 151.1 -22.2 -27.2 25.1 163 173 A R H > S+ 0 0 101 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.863 112.1 60.7 -45.2 -40.0 -19.5 -29.3 23.4 164 174 A Q H > S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.867 101.4 47.6 -67.9 -40.6 -21.5 -32.4 24.7 165 175 A R H > S+ 0 0 109 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.923 112.7 51.2 -64.1 -43.9 -24.8 -31.6 22.9 166 176 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.916 110.4 47.9 -58.3 -46.4 -22.9 -31.0 19.6 167 177 A E H X S+ 0 0 47 -4,-2.5 4,-2.2 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