==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 12-NOV-07 3BCG . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR ACRR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR R.GU,M.LI,C.C.SU,F.LONG,F.YANG,G.MCDERMOTT,E.Y.YU . 414 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 71.7 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 . 20 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 52.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 2 2 0 0 2 0 0 0 0 2 3 3 0 0 0 0 0 0 2 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 6 A K 0 0 200 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.8 20.0 25.5 -20.5 2 7 A Q > + 0 0 129 3,-0.0 3,-0.9 1,-0.0 4,-0.2 0.504 360.0 114.7 68.0 8.2 18.0 23.6 -17.8 3 8 A E T 3> + 0 0 94 1,-0.2 4,-1.3 2,-0.2 5,-0.0 0.414 61.0 76.5 -76.1 -2.9 15.3 25.9 -19.0 4 9 A A H 3> S+ 0 0 34 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.735 83.7 60.4 -70.9 -28.2 14.1 22.5 -20.0 5 10 A Q H <> S+ 0 0 84 -3,-0.9 4,-1.1 2,-0.2 -2,-0.2 0.713 100.9 53.8 -70.4 -23.2 13.2 22.3 -16.2 6 11 A E H > S+ 0 0 144 -4,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.913 116.1 38.1 -67.7 -47.0 11.0 25.3 -17.0 7 12 A T H X S+ 0 0 56 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.803 110.0 61.1 -74.4 -33.4 9.4 23.2 -19.8 8 13 A R H X S+ 0 0 54 -4,-3.1 4,-1.0 1,-0.2 3,-0.4 0.921 109.8 39.9 -63.8 -46.4 9.4 19.9 -17.8 9 14 A Q H X S+ 0 0 85 -4,-1.1 4,-3.1 1,-0.2 -1,-0.2 0.747 107.2 67.1 -71.4 -24.7 7.2 21.1 -15.0 10 15 A H H X S+ 0 0 103 -4,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.818 100.3 48.5 -64.0 -33.5 5.2 22.9 -17.7 11 16 A I H X S+ 0 0 0 -4,-1.3 4,-0.7 -3,-0.4 -1,-0.2 0.833 112.7 48.3 -73.8 -35.1 4.1 19.5 -19.0 12 17 A L H X S+ 0 0 8 -4,-1.0 4,-1.5 2,-0.2 3,-0.3 0.900 110.5 53.2 -68.1 -42.6 3.2 18.5 -15.4 13 18 A D H >X S+ 0 0 32 -4,-3.1 4,-1.5 1,-0.2 3,-0.6 0.964 110.1 43.7 -54.9 -60.3 1.3 21.7 -14.9 14 19 A V H 3X S+ 0 0 25 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.622 106.9 63.8 -69.1 -13.6 -1.0 21.4 -18.0 15 20 A A H 3X S+ 0 0 0 -4,-0.7 4,-3.9 -3,-0.3 5,-0.3 0.911 101.6 49.1 -71.9 -45.6 -1.6 17.7 -17.1 16 21 A L H S+ 0 0 21 -4,-1.3 4,-1.8 2,-0.2 5,-0.6 0.920 111.6 53.9 -77.4 -47.8 -6.5 18.6 -18.1 19 24 A F H X5S+ 0 0 2 -4,-3.9 4,-0.6 1,-0.3 -2,-0.2 0.734 112.1 48.5 -59.8 -23.4 -6.7 15.5 -15.8 20 25 A S H <5S+ 0 0 23 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.756 110.9 50.7 -83.2 -29.8 -9.1 17.6 -13.7 21 26 A Q H <5S- 0 0 134 -4,-0.8 -2,-0.2 -3,-0.4 -3,-0.1 0.791 137.5 -4.1 -74.4 -30.5 -11.2 18.6 -16.8 22 27 A Q H <5S- 0 0 55 -4,-1.8 4,-0.3 1,-0.2 302,-0.3 0.488 99.6-107.1-145.7 -16.9 -11.7 15.1 -18.2 23 28 A G << - 0 0 0 -4,-0.6 -1,-0.2 -5,-0.6 89,-0.2 -0.390 36.5 -81.3 99.4 177.5 -9.8 12.4 -16.2 24 29 A V S > S+ 0 0 0 87,-1.3 3,-1.4 -2,-0.1 88,-0.1 0.849 121.0 57.5 -88.0 -38.6 -6.7 10.4 -16.9 25 30 A S T 3 S+ 0 0 44 1,-0.3 -2,-0.1 86,-0.2 -1,-0.1 0.851 105.6 50.1 -61.4 -39.0 -8.2 7.7 -19.1 26 31 A S T 3 S+ 0 0 58 -4,-0.3 2,-0.4 -7,-0.1 -1,-0.3 0.081 102.3 81.3 -89.2 23.9 -9.7 10.2 -21.7 27 32 A T < - 0 0 5 -3,-1.4 2,-0.2 -8,-0.0 -12,-0.0 -0.990 56.2-170.8-136.8 126.1 -6.3 11.9 -22.0 28 33 A S > - 0 0 46 -2,-0.4 4,-0.7 1,-0.0 3,-0.4 -0.593 43.8-106.7-100.9 169.2 -3.2 11.0 -24.0 29 34 A L H > S+ 0 0 8 -2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.563 115.3 76.3 -67.3 -8.8 0.3 12.4 -24.0 30 35 A G H > S+ 0 0 7 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.958 96.5 37.6 -65.3 -55.5 -0.9 13.9 -27.3 31 36 A E H > S+ 0 0 69 -3,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.584 114.1 57.1 -79.1 -11.5 -3.2 16.6 -25.9 32 37 A I H X S+ 0 0 1 -4,-0.7 4,-1.7 2,-0.2 6,-0.2 0.877 112.6 41.2 -78.0 -43.7 -0.7 17.3 -23.1 33 38 A A H X>S+ 0 0 0 -4,-1.7 5,-1.5 2,-0.2 4,-0.6 0.945 114.7 51.1 -64.1 -51.6 2.0 18.0 -25.7 34 39 A K H ><5S+ 0 0 179 -4,-2.9 3,-0.5 1,-0.2 -1,-0.2 0.871 116.6 42.0 -50.5 -41.7 -0.5 19.9 -27.9 35 40 A A H 3<5S+ 0 0 49 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.731 108.4 58.7 -80.1 -25.1 -1.4 21.9 -24.8 36 41 A A H 3<5S- 0 0 19 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.476 107.4-125.2 -80.3 -2.2 2.3 22.3 -23.7 37 42 A G T <<5S+ 0 0 77 -4,-0.6 2,-0.3 -3,-0.5 -3,-0.2 0.594 77.7 115.0 65.7 11.0 3.0 24.0 -27.0 38 43 A V S - 0 0 93 -2,-0.3 4,-1.0 1,-0.1 3,-0.4 -0.196 27.0-121.4 -63.9 153.5 5.8 18.4 -30.0 40 45 A R H > S+ 0 0 155 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.690 118.1 53.6 -66.8 -20.2 4.2 15.0 -29.3 41 46 A G H 4 S+ 0 0 57 2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.738 105.3 53.2 -81.3 -26.7 7.8 13.6 -29.8 42 47 A A H > S+ 0 0 29 -3,-0.4 4,-0.6 1,-0.2 3,-0.4 0.619 105.5 53.6 -84.3 -15.9 9.2 16.0 -27.3 43 48 A I H X S+ 0 0 0 -4,-1.0 4,-1.4 1,-0.2 3,-0.3 0.829 101.9 57.3 -82.6 -36.6 6.7 14.9 -24.6 44 49 A Y H < S+ 0 0 105 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.193 98.7 70.7 -75.2 17.9 7.7 11.2 -25.1 45 50 A W H 4 S+ 0 0 185 -3,-0.4 -1,-0.2 -5,-0.0 -2,-0.2 0.844 103.2 31.2 -99.8 -51.8 11.2 12.5 -24.2 46 51 A H H < S+ 0 0 36 -4,-0.6 2,-0.4 -3,-0.3 -2,-0.2 0.819 128.1 42.2 -72.9 -32.3 10.9 13.3 -20.5 47 52 A F < - 0 0 5 -4,-1.4 -1,-0.1 1,-0.1 6,-0.1 -0.934 61.7-154.4-127.6 140.1 8.4 10.6 -20.0 48 53 A K S S- 0 0 147 -2,-0.4 2,-0.2 4,-0.1 -1,-0.1 0.932 76.1 -24.9 -73.9 -50.3 8.0 7.0 -21.2 49 54 A D S S- 0 0 42 1,-0.0 -1,-0.1 -20,-0.0 5,-0.1 -0.723 73.1 -83.2-146.9-168.4 4.2 6.6 -21.0 50 55 A K S >> S+ 0 0 48 -2,-0.2 4,-2.5 2,-0.1 3,-0.7 0.813 120.1 61.0 -76.6 -32.5 1.2 7.9 -19.2 51 56 A S H 3> S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.966 109.3 37.1 -57.5 -59.9 1.8 5.6 -16.2 52 57 A D H 34 S+ 0 0 64 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.249 116.5 55.1 -86.6 12.6 5.3 6.9 -15.2 53 58 A L H <> S+ 0 0 2 -3,-0.7 4,-1.8 2,-0.1 -1,-0.2 0.661 111.9 41.7-100.4 -39.9 4.2 10.5 -16.0 54 59 A F H X S+ 0 0 2 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.728 114.0 53.5 -75.6 -24.0 1.2 10.2 -13.7 55 60 A S H X S+ 0 0 26 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.777 105.8 55.9 -70.2 -30.3 3.6 8.4 -11.3 56 61 A E H >>S+ 0 0 31 2,-0.2 4,-3.4 1,-0.2 5,-0.7 0.911 102.9 50.8 -68.3 -45.4 5.7 11.5 -11.8 57 62 A I H <5S+ 0 0 8 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.821 117.0 43.4 -61.2 -31.1 2.9 13.9 -10.7 58 63 A W H <5S+ 0 0 49 -4,-0.9 -2,-0.2 -5,-0.1 -1,-0.2 0.866 125.8 33.3 -75.9 -41.6 2.7 11.6 -7.7 59 64 A E H <5S+ 0 0 135 -4,-2.6 -2,-0.2 1,-0.1 -3,-0.2 0.954 113.7 52.2 -82.6 -56.8 6.5 11.4 -7.3 60 65 A L T <5S+ 0 0 41 -4,-3.4 2,-3.4 1,-0.3 -3,-0.2 0.811 93.3 74.6 -57.2 -35.3 7.9 14.8 -8.4 61 66 A S S S+ 0 0 69 -2,-0.6 2,-2.8 22,-0.0 3,-1.4 -0.077 107.8 29.2 -11.2-106.2 3.9 15.7 2.9 66 71 A G T 3 S+ 0 0 43 1,-0.2 -2,-0.2 -2,-0.2 -3,-0.1 -0.243 107.1 69.4 -72.1 60.1 6.7 13.8 4.8 67 72 A E T 3 S+ 0 0 112 -2,-2.8 -1,-0.2 -5,-0.1 -3,-0.2 0.245 84.8 67.2-146.2 -2.2 9.6 16.2 4.7 68 73 A L S X> S+ 0 0 57 -3,-1.4 3,-4.4 2,-0.1 4,-1.0 0.942 83.2 83.2 -70.0 -61.5 8.3 19.0 6.9 69 74 A E H >> S+ 0 0 68 1,-0.3 4,-4.7 -4,-0.3 3,-1.2 0.513 86.5 47.3 -2.4 -80.2 8.5 16.5 9.9 70 75 A L H 34 S+ 0 0 88 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.653 119.9 42.8 -53.9 -17.1 12.2 16.9 10.9 71 76 A E H <4 S+ 0 0 119 -3,-4.4 4,-0.4 2,-0.2 -1,-0.3 0.585 115.1 47.5-103.4 -20.0 11.7 20.7 10.7 72 77 A Y H XX S+ 0 0 44 -3,-1.2 4,-1.5 -4,-1.0 3,-0.6 0.787 110.0 55.8 -73.9 -37.6 8.3 20.4 12.4 73 78 A Q T 3< S+ 0 0 60 -4,-4.7 -2,-0.2 -5,-0.3 -3,-0.2 0.661 96.0 65.2 -67.8 -20.2 10.3 18.2 14.9 74 79 A A T 34 S+ 0 0 70 -5,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.857 102.7 47.0 -68.3 -37.2 12.7 21.1 15.4 75 80 A K T <4 S+ 0 0 142 -3,-0.6 -2,-0.2 -4,-0.4 -1,-0.2 0.898 123.1 34.0 -69.9 -44.6 9.9 23.1 17.0 76 81 A F S < S+ 0 0 66 -4,-1.5 3,-0.3 1,-0.2 -1,-0.3 -0.823 81.7 179.7-113.7 89.2 8.8 20.2 19.2 77 82 A P S S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.931 71.6 15.8 -62.7 -64.2 12.1 18.5 20.0 78 83 A G S S+ 0 0 65 -4,-0.1 -4,-0.1 68,-0.0 -5,-0.0 0.215 101.5 98.2-101.6 12.7 11.5 15.5 22.2 79 84 A D + 0 0 55 -3,-0.3 4,-0.2 -6,-0.2 -3,-0.1 -0.897 41.7 175.5-103.8 107.8 7.8 15.2 21.7 80 85 A P S >> S+ 0 0 6 0, 0.0 4,-2.0 0, 0.0 3,-0.8 0.847 78.5 53.3 -76.9 -35.2 6.9 12.5 19.1 81 86 A L H 3> S+ 0 0 30 1,-0.2 4,-1.2 2,-0.2 -2,-0.0 0.800 101.7 58.0 -73.6 -31.2 3.1 12.7 19.5 82 87 A S H 3> S+ 0 0 7 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.554 110.2 46.3 -75.4 -8.1 2.9 16.4 19.0 83 88 A V H <> S+ 0 0 6 -3,-0.8 4,-2.1 2,-0.2 5,-0.2 0.802 108.7 50.3 -98.1 -44.4 4.6 15.8 15.6 84 89 A L H X S+ 0 0 3 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.781 113.8 55.9 -56.5 -27.6 2.4 12.9 14.5 85 90 A R H >X S+ 0 0 75 -4,-1.2 4,-1.5 -5,-0.2 3,-0.6 0.993 111.6 34.0 -63.9 -68.0 -0.2 15.5 15.6 86 91 A E H 3X S+ 0 0 27 -4,-1.2 4,-1.3 1,-0.2 -2,-0.2 0.630 109.8 64.5 -76.0 -16.7 0.7 18.5 13.4 87 92 A I H 3X S+ 0 0 30 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.879 108.0 42.1 -69.9 -38.6 1.8 16.4 10.4 88 93 A L H < S+ 0 0 0 -4,-2.0 3,-0.7 2,-0.2 4,-0.3 0.933 117.7 42.9 -75.9 -50.5 -5.7 17.4 5.8 93 98 A E H 3X S+ 0 0 50 -4,-1.8 4,-2.2 1,-0.2 3,-0.5 0.681 107.4 60.0 -76.0 -19.7 -5.7 21.2 5.7 94 99 A S H 3X S+ 0 0 5 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.671 92.3 67.0 -80.4 -19.2 -3.3 21.4 2.7 95 100 A T H <4 S+ 0 0 0 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.679 111.7 37.2 -66.7 -19.1 -5.9 19.4 0.7 96 101 A V H 4 S+ 0 0 24 -3,-0.5 -2,-0.2 -4,-0.3 -1,-0.1 0.874 124.9 33.6 -95.1 -54.3 -7.8 22.7 1.1 97 102 A T H < S+ 0 0 97 -4,-2.2 2,-0.6 1,-0.1 -3,-0.2 0.895 105.0 69.5 -75.0 -44.0 -5.2 25.5 0.9 98 103 A E >X - 0 0 89 -4,-1.4 4,-1.6 1,-0.1 3,-0.9 -0.707 56.3-167.4 -92.1 117.1 -2.7 24.1 -1.7 99 104 A E H 3>>S+ 0 0 105 -2,-0.6 4,-2.0 1,-0.3 5,-0.5 0.845 84.2 67.4 -67.6 -38.6 -3.9 23.8 -5.3 100 105 A R H 345S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.179 118.1 27.2 -70.7 20.4 -0.9 21.7 -6.5 101 106 A R H <>5S+ 0 0 24 -3,-0.9 4,-2.3 -7,-0.1 5,-0.2 0.307 108.6 72.2-151.5 -26.2 -2.4 19.0 -4.2 102 107 A R H X5S+ 0 0 83 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.963 114.2 27.7 -52.6 -57.5 -6.1 20.0 -4.3 103 108 A L H X5S+ 0 0 36 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.920 118.1 59.4 -73.2 -48.3 -6.3 18.8 -7.9 104 109 A L H >S+ 0 0 39 -4,-1.2 4,-2.6 -5,-0.2 5,-0.8 0.841 108.8 47.5 -63.5 -33.0 -8.9 14.7 -6.4 107 112 A I H X5S+ 0 0 0 -4,-2.0 4,-0.9 3,-0.2 5,-0.3 0.935 108.1 53.2 -71.7 -49.6 -7.5 12.9 -9.4 108 113 A I H <5S+ 0 0 13 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.864 123.5 29.4 -51.2 -40.7 -5.9 10.1 -7.4 109 114 A F H <5S+ 0 0 14 -4,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.885 139.7 8.2 -88.4 -44.2 -9.3 9.5 -5.6 110 115 A H H <5S+ 0 0 2 -4,-2.6 212,-2.3 -5,-0.2 -3,-0.2 0.625 121.7 49.5-122.7 -19.9 -12.0 10.4 -8.1 111 116 A K S < + 0 0 26 -2,-2.0 2,-1.8 115,-0.1 4,-1.1 0.394 65.5 73.7-143.3 -73.0 -7.0 -0.3 -15.1 116 121 A G T 4 S- 0 0 52 114,-0.3 -1,-0.1 1,-0.3 114,-0.1 -0.382 135.1 -47.8 -66.5 83.7 -5.5 0.6 -18.5 117 122 A E T >4 S+ 0 0 124 -2,-1.8 3,-0.6 1,-0.1 4,-0.4 0.374 130.7 97.1 63.2 -4.3 -1.8 0.3 -17.6 118 123 A M T 34 + 0 0 2 1,-0.2 4,-0.3 -5,-0.2 -2,-0.2 0.460 65.2 76.2 -82.9 -6.6 -2.8 2.4 -14.6 119 124 A A T 3X S+ 0 0 44 -4,-1.1 4,-0.8 1,-0.2 -1,-0.2 0.649 89.8 55.3 -74.8 -18.0 -3.0 -1.0 -12.9 120 125 A V H <> S+ 0 0 84 -3,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.750 103.0 52.0 -86.9 -27.5 0.8 -0.9 -12.7 121 126 A V H 4 S+ 0 0 2 -4,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.555 101.1 66.5 -79.9 -10.0 0.9 2.5 -10.9 122 127 A Q H >> S+ 0 0 18 -4,-0.3 4,-3.4 2,-0.2 3,-0.7 0.904 103.5 42.0 -71.8 -45.0 -1.5 0.8 -8.5 123 128 A Q H 3X S+ 0 0 115 -4,-0.8 4,-2.4 2,-0.3 5,-0.3 0.839 108.5 59.7 -68.6 -35.3 1.2 -1.6 -7.4 124 129 A A H 3< S+ 0 0 55 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.603 117.8 33.2 -65.8 -12.3 3.7 1.3 -7.4 125 130 A Q H <> S+ 0 0 20 -3,-0.7 4,-2.5 2,-0.1 -2,-0.3 0.673 111.0 60.8-111.6 -35.8 1.3 2.8 -4.8 126 131 A R H X S+ 0 0 42 -4,-3.4 4,-0.8 1,-0.2 -3,-0.2 0.886 114.0 40.4 -54.2 -41.4 0.2 -0.5 -3.1 127 132 A N H X S+ 0 0 84 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.826 112.8 53.7 -76.6 -35.6 3.8 -0.9 -2.2 128 133 A L H > S+ 0 0 93 -5,-0.3 4,-0.8 1,-0.2 -2,-0.2 0.807 109.4 49.6 -68.7 -31.7 4.3 2.8 -1.4 129 134 A C H X S+ 0 0 11 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