==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 29-MAR-07 2UXU . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR TTGR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR Y.ALGUEL,C.MENG,W.TERAN,T.KRELL,J.L.RAMOS,M.-T.GALLEGOS, . 411 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 79.1 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 . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 3 3 0 1 1 2 0 2 0 0 0 3 0 0 2 1 0 0 1 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 . 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 5 A T >> 0 0 115 0, 0.0 3,-5.3 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 105.8 28.5 7.2 -24.2 2 6 A K H 3> + 0 0 193 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.631 360.0 54.8 -12.8 -51.2 29.1 10.4 -22.2 3 7 A E H 3> S+ 0 0 164 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.721 105.3 53.0 -62.9 -29.0 26.2 12.1 -24.1 4 8 A E H <> S+ 0 0 43 -3,-5.3 4,-1.4 2,-0.2 -2,-0.2 0.837 108.8 49.9 -73.3 -36.2 23.8 9.3 -23.0 5 9 A A H X S+ 0 0 24 -4,-0.9 4,-1.9 2,-0.2 3,-0.3 0.940 109.3 50.1 -65.5 -49.2 24.9 9.8 -19.4 6 10 A Q H X S+ 0 0 61 -4,-2.4 4,-1.4 1,-0.3 3,-0.3 0.905 110.9 51.4 -57.5 -39.1 24.2 13.5 -19.7 7 11 A E H X S+ 0 0 136 -4,-1.5 4,-0.8 1,-0.2 -1,-0.3 0.840 111.7 46.8 -63.1 -34.9 20.8 12.6 -21.1 8 12 A T H X S+ 0 0 55 -4,-1.4 4,-0.5 -3,-0.3 -2,-0.2 0.607 107.6 53.8 -94.4 -11.6 20.1 10.3 -18.2 9 13 A R H X S+ 0 0 22 -4,-1.9 4,-2.0 -3,-0.3 -1,-0.2 0.807 109.9 50.5 -74.1 -35.0 21.2 12.7 -15.5 10 14 A A H X S+ 0 0 62 -4,-1.4 4,-1.6 -5,-0.3 -2,-0.2 0.761 111.3 46.4 -82.1 -24.2 18.8 15.1 -16.9 11 15 A Q H X S+ 0 0 45 -4,-0.8 4,-1.4 2,-0.2 -1,-0.2 0.612 107.6 57.3 -88.6 -17.1 16.0 12.6 -17.0 12 16 A I H X S+ 0 0 0 -4,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.921 109.7 46.0 -72.5 -43.4 16.7 11.5 -13.4 13 17 A I H X S+ 0 0 47 -4,-2.0 4,-1.9 2,-0.2 3,-0.3 0.940 109.0 54.6 -62.8 -48.4 16.2 15.0 -12.3 14 18 A E H X S+ 0 0 40 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.883 113.0 43.0 -49.2 -48.1 13.0 15.5 -14.4 15 19 A A H X S+ 0 0 13 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.714 107.9 58.5 -72.5 -29.1 11.4 12.4 -12.7 16 20 A A H X S+ 0 0 0 -4,-1.5 4,-4.0 -3,-0.3 5,-0.3 0.891 106.0 51.3 -64.3 -40.0 12.6 13.3 -9.2 17 21 A E H X S+ 0 0 5 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.981 114.6 39.6 -61.9 -56.3 10.7 16.5 -9.6 18 22 A R H X S+ 0 0 58 -4,-1.6 4,-1.9 1,-0.2 5,-0.3 0.904 118.3 52.2 -58.8 -41.6 7.4 14.8 -10.6 19 23 A A H X>S+ 0 0 17 -4,-2.8 4,-2.1 2,-0.2 5,-0.5 0.943 113.5 40.0 -60.3 -52.8 8.2 12.1 -8.0 20 24 A F H X5S+ 0 0 0 -4,-4.0 4,-1.6 3,-0.2 -2,-0.2 0.866 112.4 58.9 -67.1 -36.6 8.8 14.6 -5.1 21 25 A Y H <5S+ 0 0 79 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.938 115.9 30.5 -60.2 -42.4 5.9 16.8 -6.2 22 26 A K H <5S+ 0 0 121 -4,-1.9 301,-0.6 -5,-0.2 302,-0.2 0.930 137.7 21.3 -84.3 -44.1 3.2 14.0 -6.0 23 27 A R H X5S- 0 0 39 -4,-2.1 4,-0.5 -5,-0.3 -3,-0.2 0.567 105.1-126.1-104.3 -10.7 4.5 11.8 -3.2 24 28 A G T << - 0 0 0 -4,-1.6 89,-0.2 -5,-0.5 3,-0.1 0.043 28.5 -81.6 77.7 162.6 6.8 14.4 -1.4 25 29 A V T >4 S+ 0 0 2 87,-2.8 3,-1.0 1,-0.2 88,-0.2 0.867 118.5 62.6 -68.3 -36.7 10.5 14.0 -0.6 26 30 A A T 34 S+ 0 0 17 86,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.855 111.3 31.4 -61.1 -44.5 10.0 11.9 2.7 27 31 A R T 3< S+ 0 0 84 -4,-0.5 2,-0.5 -3,-0.1 -1,-0.2 0.064 102.5 89.5-106.3 21.9 8.3 8.8 1.3 28 32 A T < - 0 0 5 -3,-1.0 2,-0.3 -4,-0.1 -8,-0.0 -0.982 55.6-173.6-121.7 123.8 10.0 8.7 -2.1 29 33 A T >> - 0 0 66 -2,-0.5 3,-1.8 1,-0.1 4,-0.9 -0.747 40.2-100.1-118.1 164.4 13.2 6.9 -2.7 30 34 A L H >> S+ 0 0 3 20,-0.3 4,-1.6 1,-0.3 3,-0.7 0.819 118.3 62.8 -43.0 -42.6 15.7 6.5 -5.5 31 35 A A H 3> S+ 0 0 32 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.887 104.5 47.8 -50.0 -39.5 14.3 3.2 -6.4 32 36 A D H <> S+ 0 0 71 -3,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.697 106.6 55.7 -83.6 -21.2 11.0 4.9 -7.2 33 37 A I H S+ 0 0 9 -4,-1.6 5,-2.6 2,-0.2 4,-2.1 0.916 109.4 43.8 -67.9 -49.1 14.2 4.9 -11.5 35 39 A E H <5S+ 0 0 85 -4,-1.4 -2,-0.2 3,-0.2 -1,-0.1 0.919 114.4 52.7 -61.7 -42.1 10.9 3.3 -12.4 36 40 A L H <5S+ 0 0 65 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.971 116.4 36.4 -56.6 -57.9 9.5 6.8 -12.9 37 41 A A H <5S- 0 0 37 -4,-2.4 -1,-0.2 -25,-0.1 -2,-0.2 0.767 109.4-122.1 -67.3 -26.7 12.2 7.9 -15.3 38 42 A G T <5 + 0 0 65 -4,-2.1 -3,-0.2 -5,-0.2 -4,-0.1 0.900 60.7 153.1 82.1 49.1 12.4 4.4 -16.9 39 43 A V < - 0 0 45 -5,-2.6 2,-0.2 1,-0.1 -1,-0.1 -0.204 51.3 -97.3-107.2-176.7 16.1 4.1 -16.0 40 44 A T > - 0 0 69 1,-0.1 4,-0.9 -2,-0.1 -1,-0.1 -0.588 41.0-120.7 -98.7 172.3 18.9 1.7 -15.3 41 45 A R H > S+ 0 0 132 -2,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.916 102.5 37.5 -96.3 -49.8 19.6 1.1 -11.6 42 46 A G H > S+ 0 0 44 2,-0.2 4,-3.7 1,-0.2 3,-0.4 0.720 103.6 82.9 -68.8 -21.7 23.2 1.9 -10.6 43 47 A A H >> S+ 0 0 27 1,-0.3 4,-2.3 2,-0.2 3,-0.8 0.954 91.6 41.9 -40.7 -72.9 22.6 4.7 -13.0 44 48 A I H 3X S+ 0 0 0 -4,-0.9 4,-2.2 1,-0.3 -1,-0.3 0.749 117.6 51.5 -48.9 -21.7 20.8 6.9 -10.4 45 49 A Y H 3< S+ 0 0 104 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.809 106.8 50.5 -88.1 -35.4 23.6 5.8 -8.0 46 50 A W H << S+ 0 0 204 -4,-3.7 3,-0.2 -3,-0.8 -2,-0.2 0.989 126.6 28.1 -54.6 -63.4 26.4 6.7 -10.3 47 51 A H H < S+ 0 0 42 -4,-2.3 2,-0.5 1,-0.2 -2,-0.2 0.935 132.7 35.9 -61.2 -52.4 24.8 10.1 -10.7 48 52 A F < - 0 0 21 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.1 -0.840 53.3-178.9-136.5 107.5 23.2 10.2 -7.4 49 53 A N S S- 0 0 105 -2,-0.5 -1,-0.1 -3,-0.2 -4,-0.1 0.704 71.7 -6.9 -65.5 -33.0 24.4 8.8 -4.3 50 54 A N S S- 0 0 85 -6,-0.1 -20,-0.3 1,-0.0 -2,-0.1 0.550 72.5 -98.5-134.9-130.0 21.6 9.7 -2.0 51 55 A K S > S+ 0 0 20 -22,-0.1 4,-3.0 -21,-0.1 5,-0.2 -0.043 117.9 59.0-145.1 -42.2 18.4 11.5 -1.9 52 56 A A H > S+ 0 0 4 1,-0.2 4,-1.6 2,-0.2 5,-0.0 0.749 105.8 54.3 -46.5 -27.5 19.8 14.6 -0.2 53 57 A E H > S+ 0 0 21 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.901 110.0 43.1 -83.3 -43.1 22.1 14.8 -3.3 54 58 A L H > S+ 0 0 0 2,-0.2 4,-1.4 -3,-0.2 -2,-0.2 0.850 112.4 53.7 -67.6 -40.8 19.3 14.7 -5.8 55 59 A V H X S+ 0 0 12 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.916 108.8 50.6 -58.1 -42.0 17.2 17.2 -3.7 56 60 A Q H X S+ 0 0 65 -4,-1.6 4,-1.2 -5,-0.2 -1,-0.2 0.755 102.5 59.0 -70.5 -29.6 20.2 19.5 -3.8 57 61 A A H X S+ 0 0 27 -4,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.862 110.1 45.1 -63.7 -37.8 20.5 19.1 -7.6 58 62 A L H X S+ 0 0 2 -4,-1.4 4,-0.9 2,-0.2 -2,-0.2 0.959 112.2 48.1 -69.7 -55.8 16.9 20.5 -7.8 59 63 A L H < S+ 0 0 17 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.793 113.1 53.1 -53.7 -28.3 17.4 23.3 -5.3 60 64 A D H >X S+ 0 0 45 -4,-1.2 3,-1.4 -5,-0.2 4,-0.7 0.902 96.4 62.6 -76.2 -44.2 20.6 24.1 -7.3 61 65 A S H 3< S+ 0 0 54 -4,-1.9 4,-0.5 1,-0.2 3,-0.3 0.773 92.5 70.9 -48.9 -27.8 18.9 24.3 -10.8 62 66 A L T >< S+ 0 0 29 -4,-0.9 3,-0.5 1,-0.2 4,-0.3 0.854 92.3 52.9 -61.2 -40.4 16.9 27.3 -9.4 63 67 A H G X> S+ 0 0 121 -3,-1.4 3,-2.5 -4,-0.4 4,-0.9 0.844 87.9 82.9 -66.9 -37.9 19.9 29.7 -9.3 64 68 A E G >< S+ 0 0 73 -4,-0.7 3,-1.0 -3,-0.3 4,-0.4 0.798 88.2 50.3 -32.2 -53.9 20.9 29.2 -12.9 65 69 A T G <4 S+ 0 0 73 -3,-0.5 -1,-0.3 -4,-0.5 4,-0.2 0.702 115.3 45.0 -69.0 -17.2 18.4 31.7 -14.4 66 70 A H G <> S+ 0 0 22 -3,-2.5 4,-2.4 -4,-0.3 5,-0.3 0.526 78.8 104.6-106.4 -6.7 19.4 34.4 -12.0 67 71 A D H S+ 0 0 148 -4,-0.4 4,-2.1 1,-0.2 3,-0.4 0.937 115.3 39.0 -59.1 -60.2 23.8 37.2 -14.3 69 73 A L H > S+ 0 0 34 1,-0.2 4,-1.7 -4,-0.2 -1,-0.2 0.762 116.6 54.5 -62.2 -29.7 21.7 39.7 -12.4 70 74 A A H X S+ 0 0 25 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.868 108.6 47.4 -69.3 -41.5 22.9 38.2 -9.1 71 75 A R H X S+ 0 0 54 -4,-2.4 4,-0.6 -3,-0.4 -2,-0.2 0.884 112.6 48.5 -67.0 -43.4 26.6 38.6 -10.1 72 76 A A H >< S+ 0 0 16 -4,-2.1 3,-1.6 1,-0.2 6,-0.3 0.953 106.4 57.4 -63.6 -51.0 26.2 42.2 -11.2 73 77 A S H 3< S+ 0 0 6 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.850 111.7 41.8 -42.8 -44.0 24.3 43.1 -8.0 74 78 A E H 3< S+ 0 0 71 -4,-1.1 2,-0.4 -5,-0.1 -1,-0.3 0.511 88.3 110.7 -93.1 -5.0 27.2 42.0 -5.9 75 79 A S X< - 0 0 48 -3,-1.6 3,-0.6 -4,-0.6 -3,-0.0 -0.588 61.3-149.5 -71.6 123.1 29.9 43.5 -8.1 76 80 A E T 3 S+ 0 0 127 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.673 97.9 52.0 -69.2 -16.8 31.6 46.4 -6.4 77 81 A D T 3 S+ 0 0 131 -5,-0.1 -1,-0.2 4,-0.0 2,-0.2 0.618 80.4 110.4 -93.5 -16.0 32.2 48.0 -9.8 78 82 A E < - 0 0 57 -3,-0.6 6,-0.0 -6,-0.3 -6,-0.0 -0.431 60.8-148.9 -61.7 128.7 28.5 47.8 -11.1 79 83 A V S S+ 0 0 118 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.747 89.4 35.3 -76.1 -23.5 27.0 51.3 -11.2 80 84 A D > + 0 0 77 1,-0.1 4,-2.1 2,-0.1 3,-0.3 -0.474 65.0 154.5-128.6 57.5 23.4 50.3 -10.5 81 85 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.862 77.9 49.3 -66.3 -30.0 23.7 47.4 -8.0 82 86 A L H > S+ 0 0 21 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.835 107.2 56.0 -72.6 -33.7 20.2 48.2 -6.5 83 87 A G H > S+ 0 0 22 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.861 107.9 48.9 -61.5 -39.6 18.8 48.3 -10.0 84 88 A C H X S+ 0 0 11 -4,-2.1 4,-3.4 2,-0.2 -2,-0.2 0.967 110.7 49.4 -59.7 -55.1 20.2 44.8 -10.4 85 89 A M H X S+ 0 0 12 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.872 112.8 49.6 -48.8 -44.7 18.6 43.7 -7.1 86 90 A R H X S+ 0 0 79 -4,-2.8 4,-0.9 2,-0.2 3,-0.4 0.979 115.3 39.5 -60.0 -57.9 15.4 45.2 -8.3 87 91 A K H X S+ 0 0 39 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.825 110.2 61.1 -68.3 -30.5 15.3 43.5 -11.7 88 92 A L H X S+ 0 0 27 -4,-3.4 4,-1.6 1,-0.2 -1,-0.2 0.927 106.1 46.2 -55.7 -45.6 16.6 40.3 -10.3 89 93 A L H X S+ 0 0 17 -4,-1.5 4,-1.8 -3,-0.4 -1,-0.2 0.681 108.4 57.6 -72.8 -21.3 13.5 40.0 -8.0 90 94 A L H X S+ 0 0 28 -4,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.873 108.6 44.7 -72.0 -41.3 11.4 40.8 -11.0 91 95 A Q H X S+ 0 0 69 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.801 110.3 56.8 -74.9 -27.6 12.9 37.8 -12.8 92 96 A V H X S+ 0 0 29 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.955 114.6 35.6 -66.6 -50.3 12.4 35.7 -9.7 93 97 A F H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.821 115.8 56.1 -73.5 -32.6 8.7 36.3 -9.4 94 98 A N H X S+ 0 0 56 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.939 111.8 42.9 -62.9 -48.0 8.2 36.4 -13.2 95 99 A E H X S+ 0 0 24 -4,-2.2 4,-2.5 1,-0.2 8,-0.3 0.855 108.0 59.8 -67.5 -41.5 9.7 32.9 -13.5 96 100 A L H < S+ 0 0 3 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.909 114.3 36.5 -46.3 -50.3 7.9 31.6 -10.4 97 101 A V H < S+ 0 0 31 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.911 126.7 35.4 -75.2 -41.4 4.5 32.4 -12.2 98 102 A L H < S+ 0 0 118 -4,-2.3 2,-0.9 -5,-0.2 -3,-0.2 0.894 104.3 68.9 -82.4 -45.7 5.4 31.5 -15.8 99 103 A D X - 0 0 66 -4,-2.5 4,-2.2 -5,-0.2 3,-0.2 -0.708 58.4-165.5 -90.7 103.1 7.8 28.5 -15.4 100 104 A A H > S+ 0 0 31 -2,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.779 89.7 57.4 -49.5 -36.4 6.0 25.4 -14.2 101 105 A R H > S+ 0 0 126 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.945 108.4 44.9 -62.6 -53.4 9.3 23.7 -13.4 102 106 A T H > S+ 0 0 11 -7,-0.2 4,-1.9 -3,-0.2 5,-0.2 0.905 112.9 51.1 -57.0 -44.7 10.4 26.6 -11.1 103 107 A R H X S+ 0 0 87 -4,-2.2 4,-2.0 -8,-0.3 -1,-0.2 0.916 112.8 45.9 -62.9 -42.9 7.0 26.7 -9.4 104 108 A R H X S+ 0 0 87 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.878 110.7 50.6 -66.7 -46.1 7.1 22.9 -8.8 105 109 A I H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.855 113.7 47.8 -61.5 -33.5 10.7 22.8 -7.4 106 110 A N H X S+ 0 0 20 -4,-1.9 4,-2.9 -5,-0.2 5,-0.3 0.865 108.7 52.4 -72.0 -40.8 9.7 25.6 -5.1 107 111 A E H X>S+ 0 0 9 -4,-2.0 4,-3.0 -5,-0.2 5,-0.5 0.928 112.7 45.7 -60.7 -44.2 6.5 23.8 -4.1 108 112 A I H X5S+ 0 0 2 -4,-2.8 4,-1.9 3,-0.2 -2,-0.2 0.966 114.3 48.7 -56.5 -57.8 8.8 20.7 -3.3 109 113 A L H <5S+ 0 0 22 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.864 124.7 29.0 -46.6 -48.7 11.3 23.0 -1.4 110 114 A H H <5S+ 0 0 14 -4,-2.9 -1,-0.2 2,-0.1 -2,-0.2 0.752 136.2 17.8 -86.7 -36.1 8.6 24.7 0.6 111 115 A H H <5S+ 0 0 6 -4,-3.0 210,-3.6 -5,-0.3 -3,-0.2 0.434 122.7 44.4-125.8 -5.6 5.8 22.2 1.1 112 116 A K S <> - 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