==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-MAY-09 3HNH . COMPND 2 MOLECULE: PYRROLOQUINOLINE-QUINONE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIA . AUTHOR S.PUEHRINGER,R.SCHWARZENBACHER . 238 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12499.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 75.2 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 . 7 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 50.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 0 1 1 2 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 1 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 2 A L 0 0 185 0, 0.0 191,-0.0 0, 0.0 187,-0.0 0.000 360.0 360.0 360.0 80.5 -26.4 -41.1 -0.1 2 3 A I + 0 0 24 1,-0.2 3,-0.1 186,-0.1 190,-0.1 -0.101 360.0 171.9 -43.6 125.5 -28.2 -43.6 -2.3 3 4 A T + 0 0 116 1,-0.3 2,-0.6 2,-0.0 185,-0.2 0.734 68.4 40.8-106.2 -39.7 -31.0 -45.3 -0.4 4 5 A D S S- 0 0 128 184,-0.1 -1,-0.3 183,-0.1 183,-0.1 -0.939 101.4 -97.9-115.1 124.9 -32.7 -47.2 -3.1 5 6 A T - 0 0 71 -2,-0.6 2,-0.2 -3,-0.1 183,-0.1 0.045 42.2-134.8 -33.0 132.5 -30.6 -48.9 -5.7 6 7 A L - 0 0 50 181,-0.1 -1,-0.1 1,-0.1 185,-0.0 -0.569 20.4-104.4 -87.7 160.5 -30.4 -46.7 -8.8 7 8 A S > - 0 0 66 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.329 37.2-101.7 -73.8 169.7 -30.9 -48.0 -12.2 8 9 A P H > S+ 0 0 78 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.872 123.1 47.3 -61.1 -38.8 -27.9 -48.5 -14.4 9 10 A Q H > S+ 0 0 145 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.916 113.8 46.5 -71.6 -41.6 -28.6 -45.3 -16.3 10 11 A A H > S+ 0 0 37 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.818 111.0 53.0 -66.2 -33.4 -29.2 -43.3 -13.2 11 12 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.934 105.9 53.6 -68.6 -43.6 -26.1 -44.7 -11.6 12 13 A E H X S+ 0 0 29 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.903 107.5 51.3 -53.7 -44.5 -24.1 -43.7 -14.7 13 14 A E H X S+ 0 0 99 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.906 109.9 49.6 -60.6 -40.8 -25.4 -40.1 -14.2 14 15 A A H X S+ 0 0 29 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.901 111.5 48.5 -65.7 -40.7 -24.4 -40.1 -10.5 15 16 A L H >< S+ 0 0 1 -4,-2.5 3,-1.6 1,-0.2 4,-0.3 0.951 111.4 49.7 -65.6 -46.8 -20.9 -41.3 -11.5 16 17 A R H >< S+ 0 0 94 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.839 99.9 66.2 -61.6 -31.0 -20.6 -38.7 -14.1 17 18 A A H >< S+ 0 0 50 -4,-2.1 3,-1.5 1,-0.3 -1,-0.3 0.778 86.5 69.6 -61.8 -23.6 -21.7 -36.1 -11.7 18 19 A K G X< S+ 0 0 43 -3,-1.6 3,-2.3 -4,-0.6 -1,-0.3 0.697 76.9 83.6 -69.9 -16.5 -18.5 -36.7 -9.8 19 20 A G G X + 0 0 14 -3,-1.8 3,-1.9 -4,-0.3 -1,-0.3 0.658 69.7 79.3 -54.8 -17.4 -16.7 -35.1 -12.7 20 21 A D G < S+ 0 0 118 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.749 94.4 48.6 -63.4 -21.9 -17.5 -31.8 -11.0 21 22 A F G < S+ 0 0 107 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.218 83.9 133.0-102.1 11.0 -14.6 -32.6 -8.8 22 23 A Y S X S- 0 0 19 -3,-1.9 3,-1.5 1,-0.1 180,-0.0 -0.241 71.0-107.9 -65.0 157.3 -12.2 -33.5 -11.6 23 24 A H G > S+ 0 0 18 1,-0.3 3,-2.4 2,-0.2 6,-0.3 0.620 105.1 84.7 -70.7 -12.2 -8.8 -32.0 -11.4 24 25 A I G 3 S+ 0 0 69 1,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.606 86.2 61.5 -61.3 -8.5 -9.3 -29.6 -14.3 25 26 A H G < S+ 0 0 100 -3,-1.5 -1,-0.3 4,-0.1 -2,-0.2 0.382 78.0 110.3-100.5 5.4 -10.8 -27.4 -11.7 26 27 A H S X> S- 0 0 5 -3,-2.4 4,-2.3 1,-0.1 3,-1.2 -0.670 74.9-127.0 -81.7 132.0 -7.6 -27.1 -9.6 27 28 A P H 3> S+ 0 0 84 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.749 109.3 55.3 -49.0 -31.9 -6.0 -23.7 -9.7 28 29 A Y H 3> S+ 0 0 10 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.861 109.9 44.7 -70.6 -38.0 -2.8 -25.2 -10.8 29 30 A H H <> S+ 0 0 25 -3,-1.2 4,-1.8 -6,-0.3 -1,-0.2 0.868 112.4 53.0 -71.7 -36.5 -4.3 -26.9 -13.7 30 31 A I H X S+ 0 0 73 -4,-2.3 4,-0.6 1,-0.2 6,-0.2 0.969 107.5 50.9 -64.4 -48.7 -6.2 -23.7 -14.6 31 32 A A H X>S+ 0 0 21 -4,-2.3 5,-1.7 1,-0.2 6,-1.2 0.791 108.5 52.2 -59.5 -32.7 -3.0 -21.6 -14.5 32 33 A M H ><5S+ 0 0 20 -4,-1.3 3,-0.7 1,-0.2 -1,-0.2 0.907 113.0 42.7 -70.6 -42.2 -1.2 -24.0 -16.8 33 34 A H H 3<5S+ 0 0 120 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.418 112.7 56.6 -86.4 3.7 -3.9 -24.0 -19.4 34 35 A N H 3<5S- 0 0 91 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.473 109.7-120.7-101.4 -15.3 -4.2 -20.2 -18.9 35 36 A G T <<5S+ 0 0 22 -3,-0.7 -3,-0.2 -4,-0.5 117,-0.1 0.598 86.3 113.4 80.2 9.9 -0.6 -19.6 -19.8 36 37 A N < + 0 0 119 -5,-1.7 2,-0.3 -6,-0.2 -4,-0.2 0.425 47.4 103.8 -90.9 -2.5 -0.3 -18.1 -16.3 37 38 A A S S- 0 0 8 -6,-1.2 2,-0.1 -5,-0.1 180,-0.0 -0.607 70.4-127.0 -81.6 143.0 2.0 -20.8 -15.1 38 39 A T > - 0 0 66 -2,-0.3 4,-1.3 178,-0.1 5,-0.1 -0.291 27.0-106.2 -77.1 169.5 5.7 -20.2 -14.8 39 40 A R H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.774 121.3 56.5 -68.7 -27.5 8.2 -22.4 -16.5 40 41 A E H > S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.883 106.2 51.1 -68.4 -39.3 9.1 -23.9 -13.1 41 42 A Q H > S+ 0 0 27 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.816 110.5 49.2 -67.0 -34.7 5.6 -24.8 -12.7 42 43 A I H X S+ 0 0 7 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.908 112.0 44.8 -76.7 -42.6 5.5 -26.5 -16.0 43 44 A Q H X S+ 0 0 39 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.897 112.9 52.6 -70.0 -39.2 8.6 -28.5 -15.7 44 45 A G H X S+ 0 0 6 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.910 108.4 52.3 -55.4 -44.4 7.5 -29.5 -12.2 45 46 A W H X S+ 0 0 29 -4,-1.6 4,-2.8 1,-0.2 5,-0.3 0.922 110.5 45.6 -61.8 -48.1 4.2 -30.6 -13.6 46 47 A V H X S+ 0 0 2 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.892 113.4 48.9 -63.1 -40.7 5.7 -32.8 -16.2 47 48 A A H X S+ 0 0 6 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.911 117.2 41.9 -67.4 -39.7 8.2 -34.4 -13.9 48 49 A N H >X S+ 0 0 0 -4,-2.3 4,-0.9 -5,-0.2 3,-0.8 0.889 112.6 51.5 -77.3 -40.7 5.5 -35.2 -11.3 49 50 A R H 3X S+ 0 0 42 -4,-2.8 4,-2.1 1,-0.2 3,-0.3 0.833 99.8 67.0 -62.3 -32.1 2.8 -36.3 -13.7 50 51 A F H 3X S+ 0 0 1 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.858 93.9 57.8 -56.5 -34.8 5.4 -38.6 -15.1 51 52 A Y H X S+ 0 0 23 -4,-0.9 4,-1.6 -3,-0.3 3,-1.1 0.956 110.7 50.2 -57.9 -50.5 1.7 -41.1 -12.2 53 54 A Q H 3< S+ 0 0 15 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.826 108.9 49.3 -63.4 -33.1 2.2 -42.3 -15.7 54 55 A T H 3< S+ 0 0 18 -4,-2.0 4,-0.4 1,-0.2 -1,-0.3 0.649 111.0 52.7 -79.7 -12.5 4.9 -44.8 -14.9 55 56 A T H S+ 0 0 11 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.870 111.6 49.5 -63.0 -34.6 1.1 -50.0 -15.8 58 59 A L H > S+ 0 0 63 -3,-0.4 4,-2.0 -4,-0.4 -2,-0.2 0.917 111.8 50.3 -66.3 -41.9 2.0 -51.3 -12.4 59 60 A K H X S+ 0 0 5 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.916 111.2 47.8 -61.6 -44.6 -1.5 -50.5 -11.2 60 61 A D H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.836 110.2 51.2 -67.1 -34.7 -3.0 -52.3 -14.1 61 62 A A H X S+ 0 0 46 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.887 105.9 56.2 -70.3 -37.1 -0.9 -55.3 -13.7 62 63 A A H X S+ 0 0 9 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.908 106.6 50.4 -58.3 -42.8 -1.9 -55.4 -10.0 63 64 A I H >< S+ 0 0 3 -4,-1.6 3,-1.1 1,-0.2 -2,-0.2 0.932 110.1 49.6 -59.9 -47.5 -5.6 -55.5 -11.2 64 65 A M H >< S+ 0 0 36 -4,-1.9 3,-1.9 1,-0.3 -2,-0.2 0.896 104.4 58.0 -59.7 -41.6 -4.9 -58.4 -13.5 65 66 A A H 3< S+ 0 0 84 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.705 110.3 45.5 -59.8 -22.7 -3.1 -60.3 -10.8 66 67 A N T << S+ 0 0 65 -3,-1.1 68,-0.5 -4,-0.7 -1,-0.3 0.244 98.0 88.0-102.0 6.5 -6.3 -60.1 -8.8 67 68 A C < - 0 0 6 -3,-1.9 6,-0.1 1,-0.1 -1,-0.1 -0.852 45.9-179.6-120.8 97.6 -8.5 -61.0 -11.7 68 69 A P + 0 0 110 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.332 57.4 100.7 -78.0 9.2 -9.3 -64.7 -12.4 69 70 A D > - 0 0 76 1,-0.1 4,-1.9 -5,-0.1 3,-0.5 -0.854 58.3-160.1 -99.2 107.3 -11.5 -63.8 -15.4 70 71 A A H > S+ 0 0 33 -2,-0.7 4,-1.8 1,-0.2 -1,-0.1 0.828 88.1 53.6 -54.7 -37.2 -9.6 -64.4 -18.6 71 72 A Q H > S+ 0 0 101 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.860 108.3 49.8 -71.2 -34.1 -11.8 -62.2 -20.8 72 73 A T H > S+ 0 0 14 -3,-0.5 4,-2.6 1,-0.2 3,-0.4 0.936 110.8 50.3 -65.5 -42.9 -11.5 -59.3 -18.5 73 74 A R H X S+ 0 0 94 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.815 102.4 61.7 -62.7 -33.7 -7.7 -59.8 -18.5 74 75 A R H < S+ 0 0 159 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.881 112.8 36.4 -64.9 -35.6 -7.8 -59.9 -22.3 75 76 A K H >< S+ 0 0 80 -4,-1.2 3,-1.3 -3,-0.4 4,-0.4 0.904 114.7 54.7 -78.2 -43.3 -9.1 -56.4 -22.3 76 77 A W H >X S+ 0 0 2 -4,-2.6 3,-1.8 1,-0.3 4,-0.6 0.851 96.4 65.2 -63.0 -34.1 -7.2 -55.1 -19.4 77 78 A V H >X S+ 0 0 51 -4,-2.2 4,-1.9 1,-0.3 3,-0.6 0.754 87.1 71.2 -63.1 -21.8 -3.8 -56.0 -20.8 78 79 A Q H <> S+ 0 0 56 -3,-1.3 4,-1.7 -4,-0.3 93,-0.3 0.791 89.9 61.3 -66.1 -24.1 -4.3 -53.5 -23.5 79 80 A R H <> S+ 0 0 6 -3,-1.8 4,-1.2 -4,-0.4 -1,-0.2 0.878 104.0 48.5 -66.3 -37.5 -3.8 -50.8 -21.0 80 81 A I H - 0 0 14 1,-0.1 4,-1.8 2,-0.1 -6,-0.3 -0.085 360.0 -75.9 97.1 167.8 3.7 -46.1 -25.6 90 93 A G H > S+ 0 0 5 -8,-1.7 4,-1.9 2,-0.2 -7,-0.2 0.772 122.7 60.1 -78.1 -27.8 2.6 -43.4 -23.3 91 94 A I H > S+ 0 0 34 -8,-2.1 4,-1.3 2,-0.2 3,-0.2 0.968 110.4 45.3 -63.4 -45.8 5.6 -43.6 -21.0 92 95 A E H > S+ 0 0 46 -9,-0.5 4,-1.6 -4,-0.4 3,-0.4 0.913 108.6 55.9 -61.3 -43.2 7.7 -42.8 -24.0 93 96 A A H X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.864 107.1 50.0 -54.9 -38.5 5.4 -40.1 -25.2 94 97 A W H X S+ 0 0 5 -4,-1.9 4,-1.8 -3,-0.2 -1,-0.2 0.786 103.6 59.1 -73.9 -25.2 5.8 -38.4 -21.8 95 98 A L H X S+ 0 0 8 -4,-1.3 4,-2.0 -3,-0.4 -1,-0.2 0.872 105.4 50.6 -69.9 -34.2 9.5 -38.6 -22.1 96 99 A R H X S+ 0 0 57 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.861 107.3 51.7 -70.0 -36.3 9.2 -36.6 -25.2 97 100 A L H X S+ 0 0 8 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.867 106.3 56.0 -68.0 -33.6 7.1 -34.0 -23.5 98 101 A G H ><>S+ 0 0 0 -4,-1.8 5,-2.4 2,-0.2 3,-1.4 0.977 107.8 47.4 -58.9 -52.5 9.8 -33.8 -20.9 99 102 A E H ><5S+ 0 0 58 -4,-2.0 3,-2.1 1,-0.3 -2,-0.2 0.932 106.7 58.2 -52.4 -48.4 12.3 -33.0 -23.6 100 103 A A H 3<5S+ 0 0 1 -4,-2.4 56,-2.1 1,-0.3 -1,-0.3 0.739 110.0 43.5 -56.0 -24.6 10.0 -30.4 -25.1 101 104 A V T <<5S- 0 0 5 -3,-1.4 -1,-0.3 -4,-1.1 -2,-0.2 0.286 128.7 -91.8-107.9 9.8 9.9 -28.5 -21.8 102 105 A G T < 5S+ 0 0 48 -3,-2.1 2,-0.4 -4,-0.3 -3,-0.2 0.707 83.4 124.0 94.8 21.1 13.6 -28.8 -21.1 103 106 A L < - 0 0 13 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.2 -0.927 52.5-128.4-115.5 139.1 14.0 -32.0 -19.0 104 107 A S > - 0 0 52 -2,-0.4 4,-1.7 1,-0.1 3,-0.4 -0.425 23.3-112.3 -83.0 159.5 16.2 -34.9 -19.9 105 108 A R H > S+ 0 0 78 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.890 120.9 50.7 -53.3 -40.5 15.2 -38.5 -20.1 106 109 A D H > S+ 0 0 96 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.848 104.0 58.8 -67.5 -33.0 17.3 -39.2 -17.1 107 110 A D H 4 S+ 0 0 34 -3,-0.4 6,-0.5 2,-0.2 5,-0.5 0.918 117.2 32.5 -60.6 -41.9 15.7 -36.3 -15.2 108 111 A L H >< S+ 0 0 3 -4,-1.7 3,-1.6 2,-0.2 -2,-0.2 0.922 116.9 51.6 -82.2 -49.4 12.4 -38.0 -15.7 109 112 A L H 3< S+ 0 0 96 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.827 104.2 60.5 -61.0 -31.1 13.3 -41.6 -15.5 110 113 A S T 3< S- 0 0 39 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.684 92.1-146.8 -68.8 -22.4 15.1 -41.1 -12.4 111 114 A E X + 0 0 20 -3,-1.6 3,-1.1 -4,-0.2 -3,-0.1 0.635 55.4 134.6 61.2 17.7 12.0 -39.9 -10.6 112 115 A R T 3 + 0 0 89 -5,-0.5 -1,-0.1 1,-0.2 -4,-0.1 0.789 64.5 52.0 -68.0 -25.6 14.3 -37.6 -8.7 113 116 A H T 3 S+ 0 0 61 -6,-0.5 2,-0.4 -5,-0.1 -1,-0.2 0.501 79.3 119.7 -88.2 -3.8 12.0 -34.5 -9.0 114 117 A V < - 0 0 2 -3,-1.1 -66,-0.1 -67,-0.1 -70,-0.0 -0.473 62.9-131.3 -69.2 119.1 8.9 -36.3 -7.8 115 118 A L >> - 0 0 4 -2,-0.4 4,-2.5 -71,-0.1 3,-0.5 -0.415 14.8-122.5 -68.8 143.7 7.6 -34.6 -4.7 116 119 A P H 3> S+ 0 0 19 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.852 111.8 56.2 -58.4 -35.2 6.7 -36.8 -1.8 117 120 A G H 3> S+ 0 0 28 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.871 109.7 46.1 -64.5 -35.1 3.1 -35.6 -1.8 118 121 A V H <> S+ 0 0 0 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.944 112.8 50.9 -67.7 -47.7 2.8 -36.6 -5.4 119 122 A R H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.912 110.6 47.5 -55.3 -49.0 4.4 -40.0 -4.6 120 123 A F H X S+ 0 0 124 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.896 113.1 48.7 -63.6 -40.0 2.2 -40.7 -1.7 121 124 A A H X S+ 0 0 10 -4,-1.6 4,-0.9 -5,-0.2 3,-0.2 0.963 115.7 43.3 -66.3 -49.6 -0.9 -39.9 -3.6 122 125 A V H >X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 3,-0.7 0.908 110.9 53.2 -61.5 -45.2 0.1 -41.9 -6.6 123 126 A D H 3X S+ 0 0 38 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.797 100.3 64.3 -63.1 -27.8 1.3 -44.9 -4.6 124 127 A A H 3X S+ 0 0 36 -4,-1.4 4,-2.2 -3,-0.2 -1,-0.2 0.879 100.2 51.9 -61.0 -37.7 -2.1 -44.9 -2.9 125 128 A Y H - 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