==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 14-MAR-11 3R2R . COMPND 2 MOLECULE: BACTERIOFERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR S.W.LOVELL,K.P.BATTAILE,H.YAO,G.JEPKORIR,P.V.NAMA,S.WEERATUN . 154 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8290.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 85.1 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 . 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 . 4 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.2 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 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 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 1 A M 0 0 134 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.5 -20.4 -20.0 -46.9 2 2 A Q - 0 0 119 64,-0.1 64,-0.2 1,-0.0 63,-0.1 -0.564 360.0-154.2 -81.3 117.9 -23.8 -20.1 -48.7 3 3 A G - 0 0 8 62,-2.4 -1,-0.0 -2,-0.5 109,-0.0 -0.288 34.2 -81.9 -78.3 172.1 -26.7 -21.0 -46.4 4 4 A H > - 0 0 91 1,-0.1 4,-2.8 106,-0.1 3,-0.3 -0.561 37.8-131.0 -73.1 131.3 -29.9 -22.6 -47.4 5 5 A P H > S+ 0 0 99 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.832 106.2 52.2 -55.9 -32.5 -32.3 -20.0 -48.9 6 6 A E H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.894 111.5 46.5 -73.3 -37.4 -35.2 -21.1 -46.8 7 7 A V H > S+ 0 0 1 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.951 113.5 48.8 -67.8 -47.2 -33.1 -20.9 -43.6 8 8 A I H X S+ 0 0 16 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.927 111.8 49.5 -57.4 -46.6 -31.8 -17.4 -44.6 9 9 A D H X S+ 0 0 82 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.917 112.4 47.0 -59.7 -41.3 -35.3 -16.2 -45.4 10 10 A Y H X S+ 0 0 45 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.895 108.3 54.8 -71.4 -37.5 -36.6 -17.5 -42.0 11 11 A L H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.878 107.4 52.5 -58.1 -38.4 -33.7 -15.9 -40.1 12 12 A N H X S+ 0 0 8 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.885 106.2 52.6 -63.0 -40.5 -34.7 -12.6 -41.8 13 13 A T H X S+ 0 0 52 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.924 112.5 45.3 -60.0 -41.1 -38.3 -13.1 -40.5 14 14 A L H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.908 108.6 57.1 -68.7 -40.8 -36.9 -13.6 -37.0 15 15 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.919 106.4 48.3 -56.7 -47.2 -34.5 -10.6 -37.4 16 16 A T H X S+ 0 0 14 -4,-2.3 58,-2.1 1,-0.2 4,-1.6 0.868 110.5 53.1 -67.8 -27.5 -37.4 -8.2 -38.2 17 17 A G H X S+ 0 0 10 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.2 0.869 110.7 46.7 -66.1 -40.8 -39.3 -9.6 -35.2 18 18 A E H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 37,-0.2 0.888 108.7 53.5 -73.3 -35.9 -36.3 -8.9 -32.9 19 19 A L H X S+ 0 0 6 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.896 111.1 48.5 -62.8 -38.2 -35.8 -5.4 -34.2 20 20 A A H X S+ 0 0 3 -4,-1.6 4,-2.7 -5,-0.2 5,-0.2 0.915 108.1 52.0 -66.7 -44.0 -39.5 -4.8 -33.4 21 21 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.945 109.9 51.3 -57.8 -46.0 -39.1 -6.3 -29.8 22 22 A R H X S+ 0 0 61 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.930 113.0 45.4 -53.1 -49.5 -36.1 -3.9 -29.3 23 23 A D H X S+ 0 0 46 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.850 109.5 52.8 -70.6 -32.4 -38.3 -0.9 -30.5 24 24 A Q H X S+ 0 0 7 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.912 112.2 46.6 -68.2 -39.4 -41.4 -1.9 -28.4 25 25 A Y H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.844 108.1 57.9 -71.1 -30.1 -39.1 -2.0 -25.3 26 26 A F H X S+ 0 0 101 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.983 113.5 37.3 -59.1 -56.2 -37.6 1.3 -26.4 27 27 A I H X S+ 0 0 68 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.952 118.8 48.9 -64.7 -45.1 -41.0 3.1 -26.3 28 28 A H H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.928 109.9 50.8 -62.5 -43.3 -42.3 1.2 -23.3 29 29 A S H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.928 113.0 46.2 -62.2 -40.2 -39.2 1.8 -21.1 30 30 A R H X S+ 0 0 91 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.838 110.4 52.9 -72.8 -30.2 -39.3 5.6 -21.9 31 31 A M H X S+ 0 0 37 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.914 109.2 49.4 -66.4 -41.9 -43.1 5.7 -21.2 32 32 A Y H X>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 4,-0.6 0.927 111.9 48.8 -62.3 -44.9 -42.5 4.1 -17.8 33 33 A E H ><5S+ 0 0 90 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.924 106.9 56.0 -57.7 -45.2 -39.8 6.6 -17.1 34 34 A D H 3<5S+ 0 0 129 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.828 109.3 47.2 -58.1 -32.1 -42.1 9.5 -18.2 35 35 A W H 3<5S- 0 0 100 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.520 121.8-104.5 -90.6 -5.7 -44.6 8.4 -15.6 36 36 A G T <<5S+ 0 0 39 -3,-1.3 2,-1.2 -4,-0.6 -3,-0.2 0.631 77.2 132.6 96.5 15.6 -42.1 8.0 -12.7 37 37 A F >>< + 0 0 31 -5,-2.5 4,-2.4 117,-0.2 3,-0.5 -0.673 24.2 171.9 -99.8 81.5 -41.7 4.2 -12.6 38 38 A S H 3> S+ 0 0 46 -2,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.830 73.6 56.2 -62.9 -32.4 -37.9 4.0 -12.5 39 39 A K H 3> S+ 0 0 114 114,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.866 109.3 45.2 -70.6 -32.4 -37.9 0.2 -11.9 40 40 A L H <> S+ 0 0 0 113,-0.7 4,-2.8 -3,-0.5 5,-0.3 0.885 112.3 53.0 -75.0 -38.4 -40.0 -0.5 -15.0 41 41 A Y H X S+ 0 0 46 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.953 110.9 47.1 -55.4 -49.4 -37.8 1.9 -17.0 42 42 A E H X S+ 0 0 115 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.915 113.8 46.6 -64.9 -41.1 -34.7 0.1 -15.9 43 43 A R H X S+ 0 0 47 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.956 116.8 42.1 -65.5 -49.3 -36.0 -3.4 -16.6 44 44 A L H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.834 111.8 55.5 -72.4 -27.5 -37.4 -2.6 -20.1 45 45 A N H X S+ 0 0 22 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.929 109.3 48.4 -64.4 -43.6 -34.3 -0.6 -20.9 46 46 A H H X S+ 0 0 77 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.928 110.8 49.7 -61.5 -43.8 -32.3 -3.7 -20.1 47 47 A E H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.868 105.3 57.8 -63.3 -38.6 -34.6 -5.9 -22.3 48 48 A M H X S+ 0 0 23 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.929 107.9 47.3 -57.4 -39.8 -34.2 -3.4 -25.1 49 49 A E H X S+ 0 0 92 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.898 111.3 51.9 -68.3 -39.6 -30.4 -4.0 -25.0 50 50 A E H X S+ 0 0 39 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.914 109.3 48.0 -64.2 -39.0 -31.0 -7.7 -24.8 51 51 A E H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.838 107.4 57.0 -71.1 -30.3 -33.2 -7.7 -27.9 52 52 A T H X S+ 0 0 59 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.913 108.5 47.0 -64.3 -40.1 -30.6 -5.6 -29.7 53 53 A Q H X S+ 0 0 128 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.893 110.8 52.0 -66.4 -38.8 -28.1 -8.4 -29.0 54 54 A H H X S+ 0 0 11 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.937 112.3 46.0 -60.8 -47.2 -30.7 -11.0 -30.2 55 55 A A H X S+ 0 0 6 -4,-2.9 4,-3.1 -37,-0.2 5,-0.2 0.911 110.3 54.0 -59.3 -42.6 -31.1 -9.0 -33.4 56 56 A D H X S+ 0 0 60 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.925 106.1 52.1 -61.3 -44.2 -27.3 -8.7 -33.8 57 57 A A H X S+ 0 0 39 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.910 113.8 43.7 -58.9 -43.0 -26.8 -12.4 -33.5 58 58 A L H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.931 113.4 50.8 -68.5 -45.3 -29.4 -13.1 -36.3 59 59 A L H X S+ 0 0 41 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.942 112.2 46.7 -58.1 -48.5 -28.0 -10.2 -38.5 60 60 A R H X S+ 0 0 160 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.878 111.8 50.9 -63.1 -37.5 -24.4 -11.5 -38.2 61 61 A R H X S+ 0 0 25 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.919 108.9 51.8 -67.2 -41.4 -25.5 -15.1 -38.9 62 62 A I H <>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 -2,-0.2 0.941 111.7 46.5 -60.6 -45.2 -27.4 -14.0 -42.0 63 63 A L H ><5S+ 0 0 98 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.903 109.2 53.7 -62.5 -42.9 -24.4 -12.2 -43.3 64 64 A L H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.892 107.3 52.6 -59.6 -33.9 -22.1 -15.2 -42.6 65 65 A L T 3<5S- 0 0 3 -4,-2.0 -62,-2.4 -5,-0.1 -1,-0.3 0.308 122.0-110.5 -84.4 10.1 -24.5 -17.3 -44.7 66 66 A E T < 5S+ 0 0 117 -3,-2.0 -3,-0.2 1,-0.2 2,-0.1 0.712 73.8 137.1 64.7 26.0 -24.1 -14.8 -47.5 67 67 A G < - 0 0 12 -5,-2.6 -1,-0.2 -6,-0.2 -58,-0.0 -0.455 58.4-116.9 -89.1 169.5 -27.7 -13.5 -47.1 68 68 A T - 0 0 121 -2,-0.1 -56,-0.0 2,-0.0 -5,-0.0 -0.945 33.8-126.7-108.8 114.1 -28.9 -9.9 -47.3 69 69 A P - 0 0 27 0, 0.0 2,-0.6 0, 0.0 -60,-0.0 -0.325 9.2-134.6 -64.9 141.1 -30.4 -8.9 -43.9 70 70 A R - 0 0 99 1,-0.1 -11,-0.0 2,-0.1 -2,-0.0 -0.886 23.2-175.5 -90.6 119.3 -34.0 -7.4 -43.8 71 71 A M + 0 0 102 -2,-0.6 -1,-0.1 2,-0.1 -12,-0.0 0.408 43.9 107.2-104.8 1.1 -33.7 -4.3 -41.5 72 72 A R - 0 0 212 1,-0.0 -52,-0.1 3,-0.0 -53,-0.1 -0.675 67.9-130.1 -81.9 121.9 -37.3 -3.1 -41.3 73 73 A P - 0 0 38 0, 0.0 -56,-0.2 0, 0.0 -57,-0.1 -0.396 25.0-105.9 -63.6 148.7 -38.7 -3.9 -37.9 74 74 A D - 0 0 63 -58,-2.1 2,-0.1 1,-0.1 -61,-0.0 -0.190 52.3 -84.0 -58.9 160.0 -42.1 -5.5 -37.7 75 75 A D - 0 0 146 -3,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.414 48.4-144.4 -72.3 148.1 -44.9 -3.2 -36.6 76 76 A I - 0 0 50 -3,-0.1 -55,-0.1 -2,-0.1 -1,-0.0 -0.738 8.3-150.0-112.0 168.8 -45.2 -2.8 -32.9 77 77 A H - 0 0 137 -2,-0.3 15,-0.1 11,-0.1 -2,-0.0 -0.655 17.9-166.5-143.0 71.5 -48.3 -2.3 -30.7 78 78 A P - 0 0 61 0, 0.0 7,-0.1 0, 0.0 2,-0.1 -0.235 16.6-126.5 -67.0 150.1 -47.5 -0.2 -27.6 79 79 A G - 0 0 10 3,-0.1 3,-0.1 1,-0.1 6,-0.0 -0.304 1.9-141.6 -83.2 178.7 -50.0 -0.1 -24.7 80 80 A T S S+ 0 0 95 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.428 82.4 37.7-121.4 -4.4 -51.4 3.1 -23.2 81 81 A T S > S- 0 0 54 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.923 91.7-101.9-138.2 163.4 -51.5 2.0 -19.5 82 82 A V H > S+ 0 0 8 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.946 121.8 47.0 -55.5 -51.4 -49.1 -0.1 -17.4 83 83 A P H > S+ 0 0 40 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.917 113.6 49.3 -58.1 -40.6 -51.4 -3.2 -17.6 84 84 A E H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.864 111.0 49.4 -64.7 -37.4 -51.8 -2.8 -21.4 85 85 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.911 111.3 48.3 -69.3 -43.1 -48.1 -2.4 -21.9 86 86 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.950 114.8 46.9 -59.9 -47.8 -47.2 -5.5 -19.8 87 87 A E H X S+ 0 0 106 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.905 111.4 51.0 -58.1 -42.5 -49.9 -7.5 -21.8 88 88 A A H X S+ 0 0 20 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.867 111.1 47.9 -67.2 -37.1 -48.6 -6.2 -25.1 89 89 A D H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.868 110.7 51.2 -71.7 -32.4 -45.1 -7.2 -24.3 90 90 A L H X S+ 0 0 7 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.914 109.6 49.8 -69.9 -40.0 -46.2 -10.6 -23.2 91 91 A K H X S+ 0 0 166 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.915 111.4 50.9 -62.3 -40.8 -48.1 -11.1 -26.4 92 92 A L H X S+ 0 0 27 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.932 111.0 46.5 -60.6 -49.9 -45.0 -10.0 -28.3 93 93 A E H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.893 109.9 53.6 -64.9 -36.4 -42.8 -12.5 -26.4 94 94 A R H X S+ 0 0 138 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.880 110.4 48.1 -62.9 -37.9 -45.3 -15.4 -27.0 95 95 A H H X S+ 0 0 118 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.940 111.9 48.6 -67.7 -48.1 -45.2 -14.6 -30.7 96 96 A V H X S+ 0 0 6 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.931 109.9 53.5 -54.3 -45.7 -41.4 -14.5 -30.6 97 97 A R H X S+ 0 0 91 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.937 111.6 43.8 -55.8 -49.6 -41.4 -17.9 -28.7 98 98 A A H X S+ 0 0 52 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.902 113.8 50.8 -65.2 -38.9 -43.6 -19.6 -31.3 99 99 A A H X S+ 0 0 16 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.916 111.0 48.6 -66.7 -43.5 -41.6 -18.1 -34.2 100 100 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 -5,-0.2 -1,-0.2 0.930 109.4 52.2 -60.8 -45.9 -38.3 -19.2 -32.7 101 101 A A H X S+ 0 0 29 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.910 109.5 49.1 -60.7 -40.8 -39.6 -22.8 -32.1 102 102 A K H X S+ 0 0 70 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.920 111.4 51.0 -61.6 -42.3 -40.8 -23.1 -35.8 103 103 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.863 105.8 55.0 -64.1 -35.7 -37.3 -21.8 -36.9 104 104 A I H X S+ 0 0 17 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.922 109.8 46.3 -62.3 -44.3 -35.5 -24.4 -34.7 105 105 A A H X S+ 0 0 55 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.922 112.9 50.7 -65.4 -42.2 -37.5 -27.2 -36.4 106 106 A L H X S+ 0 0 26 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.897 108.4 51.2 -61.7 -42.9 -36.7 -25.7 -39.8 107 107 A C H <>S+ 0 0 2 -4,-2.6 5,-2.7 1,-0.2 4,-0.2 0.907 109.6 50.5 -64.5 -40.7 -33.0 -25.5 -39.1 108 108 A E H ><5S+ 0 0 86 -4,-2.0 3,-1.5 3,-0.2 -1,-0.2 0.919 107.8 52.9 -61.1 -41.3 -32.9 -29.1 -38.1 109 109 A Q H 3<5S+ 0 0 136 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.874 113.0 44.1 -67.5 -28.6 -34.7 -30.1 -41.3 110 110 A H T 3<5S- 0 0 32 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.312 113.3-119.8 -95.7 9.9 -32.1 -28.3 -43.4 111 111 A K T < 5 + 0 0 108 -3,-1.5 2,-0.8 -4,-0.2 -3,-0.2 0.829 67.0 141.5 55.5 38.7 -29.3 -29.7 -41.2 112 112 A D >< + 0 0 16 -5,-2.7 4,-1.9 1,-0.2 -1,-0.2 -0.767 17.2 166.1-104.1 81.6 -28.2 -26.2 -40.2 113 113 A F H > + 0 0 107 -2,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.796 68.6 56.1 -75.4 -26.6 -27.3 -27.0 -36.6 114 114 A V H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 109.7 46.6 -70.9 -41.4 -25.3 -23.8 -35.8 115 115 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.927 110.7 54.1 -62.4 -41.7 -28.3 -21.7 -36.8 116 116 A R H X S+ 0 0 64 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.916 107.4 50.3 -56.6 -42.1 -30.5 -24.0 -34.7 117 117 A D H X S+ 0 0 89 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.861 107.0 54.0 -69.2 -34.5 -28.3 -23.4 -31.7 118 118 A I H X S+ 0 0 45 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.942 111.6 45.6 -61.4 -47.6 -28.5 -19.6 -32.1 119 119 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.882 109.1 54.6 -62.7 -41.6 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0.655 125.8 37.8-127.9 -61.0 -36.4 -14.5 -18.7 130 130 A H H > S+ 0 0 121 -5,-0.4 4,-2.4 -6,-0.4 -2,-0.2 0.919 105.1 49.9 -64.0 -42.9 -41.4 -15.1 -17.4 133 133 A W H X S+ 0 0 41 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.918 111.4 49.6 -62.2 -42.5 -40.7 -11.6 -15.9 134 134 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.2 5,-0.2 0.918 109.6 50.6 -64.8 -42.1 -43.8 -10.3 -17.7 135 135 A E H X S+ 0 0 82 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.901 109.5 53.1 -60.6 -42.2 -46.0 -13.2 -16.4 136 136 A Q H X S+ 0 0 89 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.914 107.6 49.6 -59.3 -44.0 -44.7 -12.5 -12.9 137 137 A Q H X S+ 0 0 11 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.923 111.4 48.0 -65.0 -43.0 -45.6 -8.8 -13.0 138 138 A L H X S+ 0 0 31 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.879 112.6 50.4 -63.1 -36.8 -49.2 -9.5 -14.2 139 139 A G H X S+ 0 0 17 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.866 107.4 52.7 -69.3 -34.1 -49.4 -12.1 -11.4 140 140 A L H X S+ 0 0 64 -4,-2.2 4,-2.4 2,-0.2 5,-0.4 0.932 108.4 51.1 -65.8 -42.7 -48.2 -9.6 -8.8 141 141 A I H X S+ 0 0 27 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