==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-SEP-06 2IAI . COMPND 2 MOLECULE: PUTATIVE TRANSCRIPTIONAL REGULATOR SCO3833; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR M.D.ZIMMERMAN,X.XU,S.WANG,J.GU,M.CHRUSZCZ,M.CYMBOROWSKI,A.SA . 200 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 69.5 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 . 1 0.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 57.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 3 0 0 0 1 1 0 0 1 1 0 0 1 0 1 1 0 0 0 0 0 0 1 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 . 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 -8 A G 0 0 91 0, 0.0 2,-0.3 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0-175.5 37.1 14.9 -14.8 2 -7 A R - 0 0 194 12,-0.1 2,-0.4 9,-0.1 11,-0.1 -0.649 360.0-148.3 -77.5 132.4 34.1 14.0 -16.9 3 -6 A E - 0 0 134 -2,-0.3 9,-2.4 10,-0.1 2,-0.1 -0.890 18.1-114.1-105.2 135.7 35.1 11.8 -19.8 4 -5 A N B -A 11 0A 82 -2,-0.4 7,-0.3 7,-0.2 6,-0.1 -0.418 20.1-161.2 -65.6 131.3 33.3 11.9 -23.1 5 -4 A L - 0 0 91 5,-2.6 6,-0.2 2,-0.1 -1,-0.2 0.484 30.4-128.1 -89.5 -3.6 31.5 8.6 -23.8 6 -3 A Y S S+ 0 0 193 4,-0.5 2,-0.2 1,-0.1 5,-0.1 0.932 74.3 111.7 50.0 52.9 31.2 9.2 -27.5 7 -2 A F S > S- 0 0 123 3,-0.5 3,-2.6 0, 0.0 -2,-0.1 -0.753 95.9 -40.7-155.8 102.3 27.5 8.5 -27.3 8 -1 A Q T 3 S- 0 0 160 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.803 112.9 -57.4 51.6 40.4 24.8 11.2 -27.9 9 0 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 0, 0.0 2,-0.1 0.504 96.5 147.2 76.4 -2.0 26.8 13.7 -25.9 10 1 A X < - 0 0 106 -3,-2.6 -5,-2.6 -6,-0.1 -4,-0.5 -0.372 23.3-174.4 -68.9 151.9 26.9 11.6 -22.7 11 2 A T B -A 4 0A 68 -7,-0.3 -7,-0.2 -6,-0.2 2,-0.1 -0.899 26.8-104.7-131.6 166.8 29.9 11.7 -20.3 12 3 A T - 0 0 46 -9,-2.4 2,-0.3 -2,-0.3 -7,-0.1 -0.364 37.4-114.0 -72.8 169.3 31.1 9.9 -17.2 13 4 A A 0 0 84 -11,-0.1 -10,-0.1 1,-0.1 -1,-0.1 -0.736 360.0 360.0 -92.2 159.8 30.8 11.7 -13.8 14 5 A K 0 0 111 -2,-0.3 -1,-0.1 -12,-0.1 -12,-0.1 -0.270 360.0 360.0 -78.8 360.0 34.1 12.5 -12.0 15 ! 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 16 10 A T 0 0 116 0, 0.0 7,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 92.1 36.1 7.3 0.8 17 11 A P + 0 0 140 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.625 360.0 94.0 -75.8 -13.7 32.9 5.6 2.0 18 12 A E S S- 0 0 76 1,-0.1 2,-0.0 2,-0.1 0, 0.0 -0.479 85.9-103.1 -73.0 156.4 34.8 2.3 3.0 19 13 A T > - 0 0 90 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.307 26.9-110.4 -75.8 162.1 35.9 2.1 6.7 20 14 A L H > S+ 0 0 31 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.930 119.6 51.2 -57.0 -45.8 39.5 2.7 7.7 21 15 A L H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.922 109.0 48.4 -56.7 -46.5 39.8 -1.0 8.6 22 16 A S H > S+ 0 0 39 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.899 113.5 48.5 -66.7 -36.5 38.5 -2.2 5.2 23 17 A V H X S+ 0 0 17 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.941 112.3 48.8 -60.3 -49.8 40.9 0.3 3.4 24 18 A A H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.896 107.9 53.5 -60.5 -44.2 43.8 -0.9 5.5 25 19 A V H X S+ 0 0 6 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.923 108.2 51.0 -58.2 -43.2 43.0 -4.6 4.8 26 20 A Q H X S+ 0 0 60 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.898 112.5 45.7 -59.6 -45.1 43.0 -3.9 1.1 27 21 A V H X S+ 0 0 12 -4,-2.1 4,-3.1 2,-0.2 5,-0.4 0.927 111.3 52.7 -64.5 -44.0 46.5 -2.1 1.3 28 22 A F H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.890 110.6 47.1 -60.7 -42.8 47.9 -4.9 3.5 29 23 A I H < S+ 0 0 50 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.961 117.0 44.0 -63.6 -45.0 46.8 -7.6 1.0 30 24 A E H < S+ 0 0 149 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.926 131.2 20.0 -62.5 -48.6 48.3 -5.6 -1.9 31 25 A R H < S- 0 0 139 -4,-3.1 4,-0.3 1,-0.1 -3,-0.2 0.564 108.1-112.7 -99.0 -14.9 51.6 -4.6 -0.3 32 26 A G X - 0 0 29 -4,-2.1 4,-0.6 -5,-0.4 -3,-0.1 0.192 33.6 -90.8 78.3 148.4 51.9 -7.1 2.5 33 27 A Y T >4 S+ 0 0 25 1,-0.2 3,-1.2 2,-0.2 -1,-0.1 0.926 125.9 48.8 -55.9 -48.5 51.7 -6.0 6.1 34 28 A D T 34 S+ 0 0 120 1,-0.3 -1,-0.2 -6,-0.1 -2,-0.1 0.903 111.0 50.6 -62.4 -39.7 55.4 -5.3 6.5 35 29 A G T 34 S+ 0 0 45 -4,-0.3 2,-0.5 -7,-0.1 -1,-0.3 0.451 90.3 98.7 -80.0 -3.1 55.6 -3.4 3.3 36 30 A T << - 0 0 3 -3,-1.2 2,-0.2 -4,-0.6 23,-0.1 -0.741 55.4-166.6 -88.1 129.2 52.7 -1.1 4.2 37 31 A S > - 0 0 48 -2,-0.5 4,-1.9 1,-0.1 5,-0.1 -0.681 35.6-111.4-105.8 166.1 53.6 2.3 5.7 38 32 A X H > S+ 0 0 50 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.847 120.0 58.0 -62.7 -33.3 51.4 4.9 7.4 39 33 A E H > S+ 0 0 98 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.904 104.4 50.1 -64.8 -42.3 51.8 7.0 4.3 40 34 A H H > S+ 0 0 54 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.911 113.0 46.9 -55.8 -47.1 50.3 4.3 2.2 41 35 A L H X S+ 0 0 2 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.900 113.1 48.1 -64.5 -43.1 47.4 4.0 4.6 42 36 A S H X>S+ 0 0 14 -4,-2.8 4,-1.6 2,-0.2 5,-1.0 0.914 113.8 46.5 -61.0 -46.7 46.9 7.8 4.7 43 37 A K H <5S+ 0 0 71 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.904 116.1 46.8 -64.6 -40.4 47.1 8.1 0.9 44 38 A A H <5S+ 0 0 44 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.871 117.2 40.4 -67.1 -42.1 44.7 5.2 0.6 45 39 A A H <5S- 0 0 10 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.648 104.6-129.7 -82.5 -16.8 42.1 6.4 3.2 46 40 A G T <5S+ 0 0 58 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.729 70.7 104.9 74.4 23.2 42.4 10.0 2.0 47 41 A I S - 0 0 62 -2,-0.3 4,-1.6 1,-0.1 -1,-0.0 -0.213 28.0-117.1 -76.6 157.8 46.0 12.7 7.3 49 43 A K H > S+ 0 0 106 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.906 120.1 52.0 -54.9 -41.9 48.4 10.7 9.5 50 44 A S H >4 S+ 0 0 92 1,-0.2 3,-1.4 2,-0.2 4,-0.2 0.939 105.9 53.8 -57.9 -47.3 47.2 13.0 12.4 51 45 A S H >4 S+ 0 0 33 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.789 96.6 66.0 -59.2 -32.2 43.6 12.2 11.6 52 46 A I H >X S+ 0 0 3 -4,-1.6 3,-2.4 1,-0.3 4,-2.2 0.809 86.7 71.5 -64.1 -25.7 44.2 8.4 11.8 53 47 A Y T << S+ 0 0 162 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.644 82.5 69.4 -67.2 -13.5 45.0 8.8 15.6 54 48 A H T <4 S+ 0 0 152 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.626 116.9 24.7 -67.3 -15.0 41.3 9.4 16.1 55 49 A H T <4 S- 0 0 95 -3,-2.4 2,-0.3 1,-0.4 -2,-0.2 0.751 127.9 -4.2-116.8 -47.5 41.0 5.7 15.2 56 50 A V < - 0 0 9 -4,-2.2 -1,-0.4 1,-0.0 3,-0.1 -0.976 53.2-120.2-149.8 162.4 44.2 3.7 15.9 57 51 A T S S- 0 0 107 -2,-0.3 2,-0.3 1,-0.2 -4,-0.1 0.670 84.2 -56.7 -78.1 -19.8 47.8 4.1 17.1 58 52 A G S > S- 0 0 12 -6,-0.1 4,-1.3 1,-0.1 3,-0.3 -0.984 75.2 -49.2 164.3-167.1 49.2 2.7 13.8 59 53 A K H > S+ 0 0 46 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.761 119.9 64.0 -72.4 -27.5 49.1 -0.2 11.5 60 54 A E H > S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.913 103.2 50.0 -62.7 -43.3 49.7 -3.0 14.0 61 55 A E H > S+ 0 0 47 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.902 110.0 50.2 -61.1 -40.3 46.4 -2.1 15.7 62 56 A L H X S+ 0 0 2 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.943 111.1 49.2 -62.8 -40.9 44.6 -2.3 12.3 63 57 A L H X S+ 0 0 2 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.929 109.1 53.3 -61.1 -46.4 46.2 -5.7 11.7 64 58 A R H X S+ 0 0 82 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.927 108.1 49.2 -52.8 -49.7 45.1 -6.8 15.1 65 59 A R H X S+ 0 0 95 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.912 113.5 48.2 -56.5 -41.3 41.5 -5.8 14.3 66 60 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.961 115.1 41.0 -65.4 -50.6 41.7 -7.7 11.0 67 61 A V H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.863 111.4 58.0 -73.2 -31.4 43.1 -10.9 12.3 68 62 A S H X S+ 0 0 25 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.910 105.4 51.0 -59.7 -41.3 40.9 -10.8 15.4 69 63 A R H X S+ 0 0 107 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.918 113.0 45.0 -63.8 -42.5 37.8 -10.7 13.1 70 64 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.932 115.3 47.2 -64.3 -46.9 39.1 -13.8 11.2 71 65 A L H X S+ 0 0 3 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.886 108.9 54.4 -67.2 -40.3 40.0 -15.7 14.4 72 66 A D H X S+ 0 0 100 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.906 110.0 47.3 -60.8 -39.1 36.7 -14.9 16.0 73 67 A E H X S+ 0 0 73 -4,-1.6 4,-1.1 -5,-0.2 -2,-0.2 0.909 114.7 45.3 -69.6 -40.1 34.8 -16.4 13.0 74 68 A L H >X S+ 0 0 19 -4,-2.1 4,-0.8 2,-0.2 3,-0.8 0.963 116.3 43.7 -69.7 -51.8 37.0 -19.5 12.9 75 69 A F H >< S+ 0 0 24 -4,-2.9 3,-0.8 1,-0.3 4,-0.5 0.862 105.4 65.8 -56.9 -35.9 36.8 -20.2 16.7 76 70 A G H >X S+ 0 0 36 -4,-1.9 3,-1.1 -5,-0.3 4,-0.6 0.852 92.9 61.4 -55.5 -38.7 33.1 -19.4 16.6 77 71 A I H X< S+ 0 0 0 -4,-1.1 3,-1.5 -3,-0.8 -1,-0.2 0.918 94.0 62.9 -53.0 -40.6 32.6 -22.5 14.4 78 72 A L T << S+ 0 0 5 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.633 106.5 41.9 -68.4 -22.9 33.9 -24.8 17.1 79 73 A D T <4 S+ 0 0 89 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.390 83.4 117.8-106.2 10.5 31.1 -24.0 19.6 80 74 A E S XX S- 0 0 52 -3,-1.5 3,-2.1 -4,-0.6 4,-0.5 -0.381 81.4-105.3 -68.6 148.4 28.3 -23.9 17.2 81 75 A E H >> S+ 0 0 128 1,-0.3 3,-2.1 2,-0.2 4,-0.8 0.855 118.2 48.3 -43.6 -54.8 25.7 -26.6 18.1 82 76 A H H 34 S+ 0 0 100 1,-0.3 -1,-0.3 2,-0.2 12,-0.3 0.583 107.3 56.4 -76.6 -5.4 26.6 -29.0 15.3 83 77 A A H <4 S+ 0 0 3 -3,-2.1 -1,-0.3 -6,-0.2 -2,-0.2 0.455 115.3 40.1 -85.8 -8.4 30.3 -28.8 16.1 84 78 A R H << S+ 0 0 129 -3,-2.1 2,-0.3 -4,-0.5 -2,-0.2 0.402 110.4 54.2-125.0 -7.9 29.5 -29.9 19.6 85 79 A V S < S+ 0 0 67 -4,-0.8 2,-0.1 2,-0.1 -1,-0.0 -0.886 85.0 31.9-129.1 164.2 26.8 -32.7 19.3 86 80 A G S S- 0 0 40 -2,-0.3 2,-0.0 4,-0.1 -3,-0.0 -0.366 103.3 -24.7 83.4-172.0 26.5 -35.9 17.4 87 81 A T > - 0 0 52 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.317 64.0-110.0 -68.9 161.3 29.4 -38.2 16.6 88 82 A A H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 56,-0.2 0.887 121.4 51.6 -60.1 -36.4 32.9 -36.9 16.3 89 83 A A H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.872 108.4 51.0 -73.2 -32.2 32.8 -37.5 12.5 90 84 A E H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.927 112.6 46.5 -63.8 -44.6 29.5 -35.5 12.3 91 85 A R H X S+ 0 0 77 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.919 112.4 50.8 -64.5 -42.5 31.1 -32.6 14.2 92 86 A L H X S+ 0 0 10 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.912 110.0 48.7 -61.4 -46.9 34.2 -32.8 12.1 93 87 A E H X S+ 0 0 66 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.927 111.4 49.9 -60.3 -41.9 32.3 -32.7 8.8 94 88 A Y H X S+ 0 0 62 -4,-2.3 4,-2.7 -12,-0.3 -2,-0.2 0.928 110.9 50.0 -59.6 -47.7 30.3 -29.7 10.1 95 89 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.920 110.3 49.8 -56.6 -47.9 33.5 -27.9 11.1 96 90 A V H X S+ 0 0 3 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.942 111.9 47.9 -58.7 -48.7 35.1 -28.5 7.6 97 91 A R H X S+ 0 0 64 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.941 113.6 47.7 -56.3 -48.6 31.9 -27.2 5.8 98 92 A R H X S+ 0 0 41 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.843 105.3 58.1 -64.4 -34.7 31.8 -24.1 8.1 99 93 A X H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.912 107.8 48.3 -62.8 -41.1 35.6 -23.4 7.6 100 94 A V H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.943 111.5 49.6 -61.5 -46.9 34.9 -23.2 3.9 101 95 A E H X S+ 0 0 84 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.918 112.9 46.8 -57.2 -45.5 31.9 -20.9 4.5 102 96 A V H X S+ 0 0 3 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.911 108.8 54.0 -66.5 -41.8 34.0 -18.6 6.7 103 97 A L H < S+ 0 0 3 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.854 113.6 43.0 -61.7 -36.7 36.9 -18.5 4.4 104 98 A X H >< S+ 0 0 18 -4,-1.9 3,-0.9 -5,-0.2 -1,-0.2 0.922 118.1 44.3 -71.2 -44.9 34.7 -17.3 1.5 105 99 A A H 3< S+ 0 0 74 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.838 126.5 30.5 -70.4 -37.2 32.7 -14.9 3.6 106 100 A E T >X S+ 0 0 22 -4,-3.0 4,-2.7 -5,-0.2 3,-0.8 -0.112 79.6 145.9-109.9 29.1 35.7 -13.4 5.4 107 101 A L H <> + 0 0 35 -3,-0.9 4,-2.7 1,-0.2 5,-0.2 0.818 68.8 44.2 -44.1 -50.5 38.2 -13.9 2.6 108 102 A P H 3> S+ 0 0 48 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.904 117.1 46.5 -65.3 -34.9 40.4 -10.8 3.0 109 103 A Y H <> S+ 0 0 34 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.907 114.7 46.0 -71.7 -45.9 40.6 -11.2 6.8 110 104 A V H X S+ 0 0 3 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.901 109.4 56.7 -65.8 -37.8 41.4 -14.9 6.6 111 105 A T H X S+ 0 0 10 -4,-2.7 4,-1.3 -5,-0.3 -2,-0.2 0.952 109.1 45.4 -56.9 -49.0 43.9 -14.1 3.9 112 106 A L H X S+ 0 0 8 -4,-2.1 4,-0.8 2,-0.2 3,-0.4 0.914 110.7 53.4 -60.5 -39.8 45.8 -11.8 6.2 113 107 A L H >< S+ 0 0 1 -4,-2.2 3,-1.1 1,-0.3 -1,-0.2 0.924 109.3 49.4 -60.6 -47.7 45.6 -14.2 9.1 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