==== 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 GENE REGULATION 08-FEB-05 1YSQ . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR YIAJ; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.BOCHKAREV,V.V.LUNIN,A.EZERSKY,E.EVDOKIMOVA,T.SKARINA,X.XU, . 181 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 69.6 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 . 34 18.8 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 10 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 0 0 0 1 0 0 1 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 . 0 0 1 1 0 1 1 1 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 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 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 5 A S > 0 0 85 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -22.5 38.1 36.0 7.1 2 6 A L H > + 0 0 150 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.927 360.0 45.8 -54.6 -54.3 35.2 37.9 8.9 3 7 A N H > S+ 0 0 139 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 115.9 45.2 -59.3 -48.0 33.0 38.0 5.8 4 8 A I H > S+ 0 0 4 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.889 112.0 51.5 -66.9 -37.8 33.5 34.3 4.9 5 9 A I H X S+ 0 0 30 -4,-2.8 4,-3.3 2,-0.2 -2,-0.2 0.929 107.7 54.1 -65.5 -38.3 33.0 33.2 8.5 6 10 A H H < S+ 0 0 126 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.910 114.8 40.1 -57.8 -45.6 29.7 35.2 8.6 7 11 A I H < S+ 0 0 23 -4,-1.8 4,-0.4 -5,-0.1 -2,-0.2 0.922 123.7 39.2 -63.3 -48.8 28.6 33.3 5.4 8 12 A A H >X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 3,-1.1 0.837 92.8 80.9 -79.9 -35.4 29.9 29.9 6.5 9 13 A A H 3X S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.3 5,-0.3 0.797 90.9 49.6 -48.9 -46.5 29.2 29.7 10.2 10 14 A P H 3> S+ 0 0 55 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.884 116.1 45.6 -60.2 -36.9 25.5 28.6 10.2 11 15 A H H <> S+ 0 0 41 -3,-1.1 4,-1.9 -4,-0.4 -2,-0.2 0.883 113.2 47.5 -73.1 -42.6 26.4 25.9 7.7 12 16 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.914 112.4 50.2 -66.5 -42.3 29.5 24.7 9.5 13 17 A E H X S+ 0 0 50 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.921 108.9 52.7 -59.0 -45.6 27.5 24.6 12.8 14 18 A A H X S+ 0 0 57 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.907 110.7 46.5 -54.1 -45.6 24.7 22.6 11.1 15 19 A L H X S+ 0 0 3 -4,-1.9 4,-2.7 2,-0.2 6,-0.4 0.885 109.5 54.7 -68.5 -37.8 27.2 20.1 9.9 16 20 A N H X S+ 0 0 16 -4,-2.4 4,-2.1 2,-0.2 26,-0.3 0.927 112.9 42.9 -57.0 -48.7 28.8 19.9 13.3 17 21 A I H < S+ 0 0 123 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.918 114.3 50.7 -64.5 -43.7 25.4 19.1 14.8 18 22 A A H < S+ 0 0 82 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.908 123.9 26.8 -64.7 -43.7 24.5 16.6 12.1 19 23 A T H < S- 0 0 27 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.685 90.4-137.6 -91.1 -24.2 27.7 14.5 12.2 20 24 A G < + 0 0 0 -4,-2.1 24,-2.2 -5,-0.3 22,-1.4 0.444 66.1 116.7 78.8 -0.9 28.7 15.1 15.9 21 25 A E S S- 0 0 18 -6,-0.4 -1,-0.2 20,-0.3 -2,-0.2 -0.518 76.2 -77.8-104.4 166.3 32.3 15.5 14.6 22 26 A T E -A 145 0A 0 123,-0.9 123,-1.7 24,-0.3 2,-0.5 -0.381 43.0-155.9 -55.4 127.7 35.1 18.2 14.5 23 27 A I E -AB 144 39A 0 16,-1.9 16,-2.6 121,-0.2 2,-0.4 -0.966 9.5-169.9-114.2 126.8 34.5 20.7 11.7 24 28 A N E -AB 143 38A 8 119,-2.7 119,-2.5 -2,-0.5 2,-0.4 -0.907 6.2-171.7-114.6 143.8 37.5 22.6 10.3 25 29 A F E +AB 142 37A 0 12,-2.3 11,-1.5 -2,-0.4 12,-1.5 -0.977 14.1 175.5-138.5 119.7 37.4 25.5 7.9 26 30 A S E -AB 141 35A 0 115,-2.4 115,-1.9 -2,-0.4 2,-0.3 -0.788 21.9-148.9-121.3 162.7 40.5 26.8 6.3 27 31 A S E -AB 140 34A 16 7,-1.8 7,-2.8 -2,-0.3 2,-0.5 -0.811 31.5-110.2-114.5 162.8 41.7 29.4 3.8 28 32 A R E - B 0 33A 70 111,-1.6 2,-0.3 -2,-0.3 5,-0.2 -0.839 28.0-179.9 -92.1 133.0 44.8 29.0 1.6 29 33 A E E > - B 0 32A 91 3,-2.7 3,-0.9 -2,-0.5 2,-0.5 -0.702 57.4 -88.7-126.1 79.7 47.8 31.2 2.2 30 34 A D T 3 S+ 0 0 102 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.376 114.5 14.0 58.2-106.4 50.3 30.1 -0.5 31 35 A D T 3 S+ 0 0 48 -2,-0.5 27,-1.0 -3,-0.1 2,-0.3 0.213 128.3 43.1 -91.9 15.8 52.3 27.1 1.0 32 36 A H E < S-BC 29 57A 30 -3,-0.9 -3,-2.7 25,-0.2 2,-0.3 -0.981 74.3-122.9-148.5 157.0 50.0 26.4 4.0 33 37 A A E -BC 28 56A 0 23,-2.8 23,-3.0 -2,-0.3 2,-0.5 -0.791 26.9-142.6 -90.2 144.5 46.4 26.2 4.9 34 38 A I E -BC 27 55A 24 -7,-2.8 -7,-1.8 -2,-0.3 2,-1.1 -0.967 9.1-136.1-109.2 124.2 45.2 28.5 7.7 35 39 A L E +B 26 0A 0 19,-2.7 18,-3.6 -2,-0.5 19,-0.4 -0.659 33.9 166.6 -76.3 100.5 42.7 27.2 10.1 36 40 A I E + 0 0 17 -11,-1.5 2,-0.3 -2,-1.1 -10,-0.2 0.618 63.4 19.2 -92.5 -12.4 40.3 30.2 10.4 37 41 A Y E +B 25 0A 10 -12,-1.5 -12,-2.3 -3,-0.1 2,-0.3 -0.975 62.7 177.7-160.4 136.1 37.4 28.4 12.1 38 42 A K E -B 24 0A 23 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.985 12.3-161.9-147.0 135.4 37.0 25.2 14.1 39 43 A L E -B 23 0A 22 -16,-2.6 -16,-1.9 -2,-0.3 3,-0.1 -0.980 22.5-133.6-114.7 126.9 34.1 23.4 15.9 40 44 A E - 0 0 69 -2,-0.5 7,-0.1 -18,-0.2 -20,-0.1 -0.317 38.6 -87.5 -67.2 158.0 34.9 20.8 18.5 41 45 A P - 0 0 10 0, 0.0 -20,-0.3 0, 0.0 -1,-0.1 -0.244 30.9-159.7 -64.2 155.7 32.9 17.5 18.3 42 46 A T S S- 0 0 71 -22,-1.4 -21,-0.1 -26,-0.3 -25,-0.1 0.770 89.1 -1.6 -95.2 -79.7 29.6 17.2 20.1 43 47 A T S S+ 0 0 118 -26,-0.1 -22,-0.1 -22,-0.0 -23,-0.1 0.694 113.6 101.8 -86.1 -18.8 28.9 13.5 20.5 44 48 A G - 0 0 13 -24,-2.2 -24,-0.1 1,-0.1 102,-0.0 -0.333 60.4-155.6 -62.6 146.4 32.1 12.6 18.7 45 49 A M + 0 0 170 2,-0.0 2,-0.5 102,-0.0 -1,-0.1 0.636 63.0 94.5-102.4 -16.2 35.0 11.5 20.9 46 50 A L - 0 0 38 99,-0.1 2,-0.5 101,-0.0 -24,-0.3 -0.664 51.8-176.0 -80.4 122.5 38.0 12.3 18.8 47 51 A R - 0 0 147 -2,-0.5 2,-0.2 -7,-0.1 -7,-0.1 -0.986 10.3-152.1-121.0 125.2 39.4 15.8 19.6 48 52 A T - 0 0 32 -2,-0.5 97,-0.0 1,-0.1 76,-0.0 -0.527 22.5-123.5 -92.0 164.6 42.3 17.1 17.6 49 53 A R S S+ 0 0 193 -2,-0.2 -1,-0.1 2,-0.0 -2,-0.0 0.409 70.6 126.3 -85.7 0.0 45.0 19.6 18.7 50 54 A A - 0 0 22 4,-0.0 2,-0.3 3,-0.0 -2,-0.1 -0.255 38.2-176.8 -56.8 148.4 44.1 21.8 15.8 51 55 A Y > - 0 0 134 -14,-0.0 3,-2.2 -16,-0.0 -16,-0.2 -0.980 35.8 -82.4-149.2 154.5 43.3 25.4 16.7 52 56 A I T 3 S+ 0 0 110 -2,-0.3 -16,-0.2 1,-0.3 3,-0.1 -0.389 117.5 28.0 -61.2 127.8 42.1 28.7 15.1 53 57 A G T 3 S+ 0 0 39 -18,-3.6 -1,-0.3 1,-0.3 -17,-0.1 0.216 86.8 142.3 100.6 -10.0 45.1 30.4 13.6 54 58 A Q < - 0 0 49 -3,-2.2 -19,-2.7 -19,-0.4 2,-0.6 -0.349 46.9-138.3 -63.0 141.4 47.1 27.2 13.0 55 59 A H E -C 34 0A 105 -21,-0.2 -21,-0.2 -3,-0.1 -1,-0.1 -0.922 18.5-162.5-102.1 121.6 49.2 27.0 9.8 56 60 A M E -C 33 0A 22 -23,-3.0 -23,-2.8 -2,-0.6 5,-0.1 -0.891 20.0-120.4-109.0 121.7 48.8 23.5 8.3 57 61 A P E >> -C 32 0A 59 0, 0.0 3,-0.8 0, 0.0 4,-0.6 -0.392 20.7-127.6 -63.0 143.8 51.5 22.4 5.7 58 62 A L G >4 S+ 0 0 0 -27,-1.0 3,-0.7 1,-0.2 10,-0.1 0.859 100.5 58.8 -59.3 -38.5 50.0 21.5 2.3 59 63 A Y G 34 S+ 0 0 6 1,-0.2 36,-0.4 5,-0.1 -1,-0.2 0.686 115.0 31.5 -72.1 -22.2 51.5 18.0 1.9 60 64 A C G <4 S+ 0 0 3 -3,-0.8 2,-0.5 34,-0.1 -1,-0.2 0.288 101.4 88.6-119.6 6.7 50.0 16.5 5.1 61 65 A S S+ 0 0 6 -2,-0.5 4,-1.8 2,-0.2 -1,-0.1 0.933 106.8 45.0 -57.3 -47.3 43.6 17.0 3.5 63 67 A M H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 111.9 53.5 -60.0 -42.5 42.5 20.6 2.9 64 68 A G H > S+ 0 0 0 -7,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.884 106.0 52.3 -60.2 -40.0 46.1 21.5 1.8 65 69 A K H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.889 106.1 54.7 -65.3 -36.4 46.1 18.7 -0.7 66 70 A I H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.943 106.1 51.8 -59.3 -47.1 42.8 20.0 -2.2 67 71 A Y H < S+ 0 0 3 -4,-2.1 4,-0.4 1,-0.2 3,-0.2 0.935 114.0 43.0 -56.9 -46.6 44.5 23.4 -2.7 68 72 A M H >< S+ 0 0 5 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.894 109.0 58.5 -65.5 -38.2 47.4 21.8 -4.5 69 73 A A H 3< S+ 0 0 11 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.818 111.9 40.6 -62.4 -32.6 45.1 19.5 -6.5 70 74 A F T 3< S+ 0 0 45 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.417 108.4 79.0 -96.4 1.4 43.3 22.5 -7.9 71 75 A G S < S- 0 0 34 -3,-1.0 -3,-0.1 -4,-0.4 -4,-0.0 -0.147 96.7 -69.2 -89.4-170.9 46.5 24.5 -8.4 72 76 A H >> - 0 0 119 1,-0.1 3,-1.1 -2,-0.1 4,-0.8 -0.618 35.4-129.3 -81.7 142.3 49.2 24.3 -11.2 73 77 A P H 3> S+ 0 0 74 0, 0.0 4,-1.7 0, 0.0 3,-0.3 0.793 107.3 65.6 -63.2 -26.5 51.4 21.2 -11.3 74 78 A D H 3> S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.815 94.4 61.3 -62.8 -29.2 54.5 23.4 -11.4 75 79 A Y H <> S+ 0 0 61 -3,-1.1 4,-2.9 2,-0.2 -1,-0.2 0.927 103.1 48.7 -59.4 -44.5 53.6 24.5 -7.9 76 80 A V H X S+ 0 0 2 -4,-0.8 4,-2.6 -3,-0.3 -2,-0.2 0.914 111.5 48.5 -67.4 -46.3 53.9 20.9 -6.6 77 81 A K H X S+ 0 0 117 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.948 116.5 42.4 -55.3 -51.7 57.3 20.3 -8.2 78 82 A S H X S+ 0 0 64 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.858 111.8 56.0 -67.5 -35.8 58.7 23.7 -6.9 79 83 A Y H X S+ 0 0 5 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.2 0.937 108.7 46.8 -58.4 -49.1 57.0 23.0 -3.5 80 84 A W H < S+ 0 0 14 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.890 113.5 49.3 -60.7 -39.8 58.9 19.7 -3.2 81 85 A E H >< S+ 0 0 126 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.921 119.3 36.7 -64.8 -42.2 62.2 21.4 -4.3 82 86 A S H 3< S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.515 117.0 49.6 -92.9 -10.3 61.8 24.2 -1.8 83 87 A H T 3X + 0 0 21 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.006 66.5 127.5-117.4 27.7 60.2 22.3 1.2 84 88 A Q T <4 S+ 0 0 117 -3,-0.5 -1,-0.1 1,-0.2 -2,-0.1 0.845 78.3 44.3 -55.1 -37.9 62.7 19.4 1.4 85 89 A H T 4 S+ 0 0 155 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.859 114.4 48.5 -75.4 -36.9 63.3 19.9 5.1 86 90 A E T 4 S+ 0 0 93 -3,-0.2 2,-1.0 -4,-0.1 -2,-0.2 0.767 90.4 86.0 -78.0 -28.6 59.7 20.5 6.0 87 91 A I < + 0 0 11 -4,-2.5 -1,-0.1 -7,-0.1 9,-0.1 -0.657 63.5 159.5 -77.9 105.2 58.4 17.4 4.1 88 92 A Q - 0 0 90 -2,-1.0 2,-1.8 7,-0.1 3,-0.2 -0.941 51.6-104.8-133.9 148.2 58.8 14.6 6.7 89 93 A P + 0 0 88 0, 0.0 31,-0.1 0, 0.0 -2,-0.1 -0.528 39.7 171.5 -75.7 84.9 57.4 11.2 7.4 90 94 A L S S- 0 0 87 -2,-1.8 2,-0.3 29,-0.3 30,-0.1 0.876 73.4 -1.6 -62.8 -41.5 55.0 12.0 10.2 91 95 A T S > S- 0 0 20 28,-0.4 3,-1.1 -3,-0.2 -1,-0.1 -0.859 87.2 -93.1-133.1 177.4 53.6 8.5 10.0 92 96 A R T 3 S+ 0 0 196 -2,-0.3 27,-0.1 1,-0.2 -2,-0.0 0.614 126.0 52.8 -62.8 -13.3 54.2 5.5 7.7 93 97 A N T 3 S+ 0 0 60 25,-0.5 -1,-0.2 2,-0.1 26,-0.2 0.562 76.7 119.8-101.2 -12.4 51.3 6.9 5.6 94 98 A T < - 0 0 13 -3,-1.1 2,-0.9 24,-0.2 -34,-0.1 -0.273 68.9-121.5 -58.2 138.9 52.5 10.5 5.1 95 99 A I + 0 0 21 -36,-0.4 -1,-0.1 1,-0.2 -7,-0.1 -0.758 50.0 151.5 -89.0 105.6 53.0 11.3 1.4 96 100 A T + 0 0 52 -2,-0.9 2,-0.4 -9,-0.1 -1,-0.2 0.518 46.5 81.3-111.5 -11.4 56.7 12.3 1.1 97 101 A E S > S- 0 0 129 1,-0.1 4,-2.1 0, 0.0 5,-0.1 -0.849 71.1-138.4-103.9 133.6 57.5 11.3 -2.5 98 102 A L H > S+ 0 0 38 -2,-0.4 4,-2.6 2,-0.2 5,-0.2 0.872 101.0 51.4 -57.2 -47.6 56.5 13.6 -5.4 99 103 A P H > S+ 0 0 93 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.933 111.6 48.9 -57.8 -45.5 55.3 10.9 -7.8 100 104 A A H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.866 110.4 52.1 -58.6 -40.0 53.0 9.5 -5.1 101 105 A M H X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.2 -1,-0.2 0.923 107.0 51.1 -65.7 -42.5 51.7 13.0 -4.4 102 106 A F H X S+ 0 0 72 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.891 109.8 50.9 -60.8 -39.1 50.9 13.6 -8.1 103 107 A D H X S+ 0 0 111 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.937 113.3 45.6 -62.0 -47.2 48.9 10.4 -8.2 104 108 A E H X S+ 0 0 29 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.912 111.7 51.6 -59.1 -46.6 47.0 11.5 -5.1 105 109 A L H X S+ 0 0 10 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.842 104.8 56.1 -66.2 -35.2 46.4 14.9 -6.4 106 110 A A H X S+ 0 0 42 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.923 108.1 48.5 -60.3 -44.9 45.0 13.6 -9.7 107 111 A H H X S+ 0 0 121 -4,-1.6 4,-2.4 1,-0.2 6,-0.3 0.887 113.1 47.6 -60.9 -43.7 42.4 11.6 -7.7 108 112 A I H X>S+ 0 0 3 -4,-2.0 4,-2.7 2,-0.2 5,-0.5 0.908 111.6 49.6 -62.7 -45.0 41.5 14.7 -5.6 109 113 A R H <5S+ 0 0 138 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.904 115.2 44.7 -62.1 -40.3 41.2 16.9 -8.7 110 114 A E H <5S+ 0 0 147 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.940 123.9 31.7 -67.9 -49.2 39.0 14.4 -10.5 111 115 A S H <5S- 0 0 75 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.701 96.0-130.3 -86.9 -22.8 36.7 13.6 -7.5 112 116 A G T <5S+ 0 0 21 -4,-2.7 2,-0.3 -5,-0.2 -3,-0.2 0.778 75.1 91.6 74.9 25.9 36.7 16.9 -5.7 113 117 A A < - 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