==== 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 3R2K . 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) . 8423.0 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 . 111 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.9 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 0 136 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.3 -20.5 -46.8 -20.6 2 2 A Q - 0 0 163 64,-0.1 64,-0.2 1,-0.0 63,-0.1 -0.641 360.0-148.2 -77.2 122.8 -20.3 -48.6 -24.0 3 3 A G - 0 0 15 62,-2.2 -1,-0.0 -2,-0.5 109,-0.0 -0.292 33.0 -79.3 -79.0 171.4 -21.1 -46.2 -26.7 4 4 A H > - 0 0 73 1,-0.1 4,-2.6 106,-0.1 3,-0.4 -0.571 37.9-132.0 -73.2 129.9 -22.8 -47.2 -30.0 5 5 A P H > S+ 0 0 97 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.835 106.0 52.6 -54.4 -35.8 -20.3 -48.7 -32.4 6 6 A E H > S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.880 111.2 46.9 -68.6 -38.5 -21.4 -46.5 -35.3 7 7 A V H > S+ 0 0 0 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.936 112.7 48.8 -66.2 -47.6 -21.0 -43.4 -33.2 8 8 A I H X S+ 0 0 24 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.930 111.8 49.6 -58.1 -46.5 -17.5 -44.4 -31.9 9 9 A D H X S+ 0 0 84 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.907 112.3 47.8 -58.5 -41.8 -16.4 -45.2 -35.4 10 10 A Y H X S+ 0 0 31 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.919 108.8 52.9 -70.5 -39.6 -17.6 -41.8 -36.6 11 11 A L H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.890 107.7 53.2 -59.5 -39.2 -16.0 -40.0 -33.8 12 12 A N H X S+ 0 0 9 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.883 105.8 53.0 -62.7 -39.2 -12.7 -41.7 -34.7 13 13 A T H X S+ 0 0 57 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.907 111.8 45.8 -59.4 -42.0 -13.2 -40.5 -38.3 14 14 A L H X S+ 0 0 8 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.912 109.2 56.2 -69.0 -39.8 -13.6 -36.9 -37.0 15 15 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.924 106.4 48.0 -58.2 -47.6 -10.6 -37.4 -34.7 16 16 A T H X S+ 0 0 12 -4,-2.3 58,-2.2 1,-0.2 4,-1.5 0.856 111.8 52.7 -67.5 -26.6 -8.2 -38.3 -37.5 17 17 A G H X S+ 0 0 6 -4,-1.3 4,-2.2 -5,-0.2 -1,-0.2 0.871 110.7 45.3 -69.5 -38.8 -9.5 -35.3 -39.4 18 18 A E H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.873 108.9 55.3 -79.0 -31.1 -8.8 -32.9 -36.6 19 19 A L H X S+ 0 0 7 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.898 111.7 46.7 -60.4 -41.1 -5.4 -34.4 -35.9 20 20 A A H X S+ 0 0 1 -4,-1.5 4,-2.7 -5,-0.2 5,-0.2 0.920 109.2 52.0 -64.8 -44.4 -4.7 -33.6 -39.6 21 21 A A H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.942 108.3 53.3 -58.7 -46.2 -6.2 -30.1 -39.3 22 22 A R H X S+ 0 0 62 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.932 112.1 44.7 -48.8 -50.5 -3.8 -29.5 -36.3 23 23 A D H X S+ 0 0 49 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.840 109.7 53.4 -73.7 -30.9 -0.8 -30.6 -38.4 24 24 A Q H X S+ 0 0 3 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.915 112.1 45.3 -68.0 -39.9 -1.8 -28.6 -41.5 25 25 A Y H X S+ 0 0 5 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.858 109.1 58.9 -69.2 -31.5 -2.1 -25.4 -39.4 26 26 A F H X S+ 0 0 99 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.975 112.9 37.1 -57.9 -56.7 1.3 -26.4 -37.7 27 27 A I H X S+ 0 0 68 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.943 118.4 49.2 -67.6 -44.3 3.1 -26.4 -41.1 28 28 A H H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.934 109.9 51.0 -61.0 -43.8 1.2 -23.4 -42.5 29 29 A S H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.929 112.6 45.9 -61.0 -42.5 1.8 -21.2 -39.4 30 30 A R H X S+ 0 0 86 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.838 110.8 53.2 -71.3 -30.5 5.5 -21.9 -39.4 31 31 A M H X S+ 0 0 36 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.910 107.7 51.3 -65.0 -43.0 5.7 -21.3 -43.2 32 32 A Y H <>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 4,-0.4 0.904 111.6 47.3 -59.4 -41.9 4.0 -17.9 -42.7 33 33 A E H ><5S+ 0 0 81 -4,-2.0 3,-1.2 3,-0.2 -2,-0.2 0.895 106.0 58.6 -66.1 -39.5 6.6 -17.1 -40.0 34 34 A D H 3<5S+ 0 0 129 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.859 109.8 44.8 -57.0 -35.8 9.5 -18.3 -42.3 35 35 A W T 3<5S- 0 0 101 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.509 122.7-105.6 -88.5 -7.8 8.4 -15.6 -44.8 36 36 A G T < 5S+ 0 0 34 -3,-1.2 2,-1.2 -4,-0.4 -3,-0.2 0.625 76.9 132.4 92.9 16.8 7.9 -12.9 -42.2 37 37 A F >>< + 0 0 31 -5,-2.8 4,-2.2 117,-0.2 3,-0.5 -0.662 23.4 169.7 -98.7 79.7 4.1 -12.8 -41.9 38 38 A S H 3> S+ 0 0 41 -2,-1.2 4,-2.6 1,-0.3 116,-0.2 0.808 71.0 59.0 -69.5 -24.7 3.9 -12.8 -38.2 39 39 A K H 3> S+ 0 0 121 114,-2.1 4,-1.9 2,-0.2 -1,-0.3 0.881 108.9 45.3 -69.1 -35.9 0.2 -12.0 -38.1 40 40 A L H <> S+ 0 0 0 113,-0.7 4,-2.6 -3,-0.5 5,-0.3 0.900 111.2 53.4 -71.0 -41.6 -0.6 -15.1 -40.1 41 41 A Y H X S+ 0 0 48 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.944 110.0 48.3 -53.0 -53.1 1.8 -17.1 -37.9 42 42 A E H X S+ 0 0 114 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.910 112.9 46.4 -58.9 -45.3 -0.1 -16.0 -34.8 43 43 A R H X S+ 0 0 67 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.960 116.8 42.3 -64.0 -49.9 -3.5 -16.7 -36.2 44 44 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.811 110.6 56.7 -71.8 -28.6 -2.7 -20.2 -37.5 45 45 A N H X S+ 0 0 22 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.921 108.7 48.2 -61.8 -41.5 -0.7 -21.1 -34.4 46 46 A H H X S+ 0 0 81 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.919 110.3 51.6 -62.0 -43.4 -3.8 -20.3 -32.4 47 47 A E H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.900 105.7 54.7 -63.8 -39.3 -5.8 -22.4 -34.8 48 48 A M H X S+ 0 0 24 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.920 109.8 47.8 -55.2 -46.3 -3.4 -25.3 -34.4 49 49 A E H X S+ 0 0 93 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.910 111.1 50.9 -63.1 -41.1 -4.0 -25.1 -30.6 50 50 A E H X S+ 0 0 38 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.883 109.9 48.9 -65.7 -39.3 -7.8 -25.0 -31.1 51 51 A E H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.853 108.1 54.9 -69.3 -33.5 -7.7 -28.1 -33.3 52 52 A T H X S+ 0 0 59 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.923 109.8 47.3 -61.8 -43.1 -5.5 -29.9 -30.7 53 53 A Q H X S+ 0 0 119 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.901 111.4 50.2 -63.7 -39.7 -8.3 -29.1 -28.2 54 54 A H H X S+ 0 0 10 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.946 112.5 47.0 -62.2 -47.5 -11.0 -30.3 -30.6 55 55 A A H X S+ 0 0 5 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.923 110.4 53.7 -58.4 -44.5 -9.0 -33.5 -31.1 56 56 A D H X S+ 0 0 62 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.922 106.2 52.0 -57.1 -46.0 -8.6 -33.9 -27.4 57 57 A A H X S+ 0 0 39 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.921 113.1 44.8 -60.7 -40.9 -12.3 -33.6 -26.8 58 58 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.937 112.4 50.8 -66.9 -45.8 -13.0 -36.3 -29.3 59 59 A L H X S+ 0 0 40 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.930 112.3 46.4 -56.9 -47.1 -10.3 -38.6 -28.0 60 60 A R H X S+ 0 0 162 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.883 111.9 51.3 -68.0 -34.9 -11.5 -38.3 -24.4 61 61 A R H X S+ 0 0 25 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.921 108.7 51.4 -66.7 -42.1 -15.1 -38.9 -25.5 62 62 A I H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 -2,-0.2 0.927 111.4 48.0 -61.0 -43.5 -14.1 -42.0 -27.4 63 63 A L H ><5S+ 0 0 98 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.911 108.4 53.2 -61.7 -43.0 -12.3 -43.3 -24.3 64 64 A L H 3<5S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.874 107.3 52.9 -58.8 -37.7 -15.3 -42.5 -22.1 65 65 A L T 3<5S- 0 0 1 -4,-1.9 -62,-2.2 -5,-0.1 -1,-0.3 0.270 122.2-109.9 -83.0 7.7 -17.5 -44.6 -24.5 66 66 A E T < 5S+ 0 0 117 -3,-1.9 -3,-0.2 1,-0.2 2,-0.1 0.706 74.7 134.9 70.2 23.1 -15.0 -47.5 -24.1 67 67 A G < - 0 0 13 -5,-2.7 -1,-0.2 -6,-0.2 -58,-0.0 -0.426 58.4-115.8 -92.6 173.1 -13.7 -47.1 -27.7 68 68 A T - 0 0 119 -2,-0.1 -5,-0.0 -3,-0.1 2,-0.0 -0.940 32.0-126.5-111.9 114.7 -10.2 -47.2 -28.9 69 69 A P - 0 0 27 0, 0.0 2,-0.6 0, 0.0 -60,-0.0 -0.333 9.9-135.5 -66.0 141.3 -9.0 -43.9 -30.5 70 70 A R - 0 0 99 1,-0.1 -11,-0.0 2,-0.1 -2,-0.0 -0.865 22.5-177.7 -93.1 115.5 -7.5 -43.9 -34.0 71 71 A M + 0 0 97 -2,-0.6 -1,-0.1 2,-0.1 -12,-0.0 0.446 44.4 108.7-101.4 -0.6 -4.4 -41.6 -33.8 72 72 A R - 0 0 209 1,-0.0 -52,-0.1 -53,-0.0 -53,-0.1 -0.646 67.6-133.1 -76.8 114.1 -3.2 -41.7 -37.4 73 73 A P - 0 0 43 0, 0.0 -56,-0.2 0, 0.0 -57,-0.1 -0.344 20.2-107.8 -64.1 148.7 -3.9 -38.3 -38.9 74 74 A D - 0 0 63 -58,-2.2 -61,-0.0 1,-0.1 2,-0.0 -0.276 52.2 -81.2 -58.4 158.6 -5.5 -38.0 -42.3 75 75 A D - 0 0 134 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.342 47.6-142.5 -58.3 144.9 -3.2 -36.8 -45.1 76 76 A I - 0 0 57 -3,-0.1 -55,-0.1 -53,-0.1 -1,-0.0 -0.711 7.4-154.4-108.3 167.1 -2.7 -33.0 -45.2 77 77 A H - 0 0 131 -2,-0.3 15,-0.1 11,-0.1 -2,-0.0 -0.586 16.0-168.4-143.7 70.2 -2.3 -30.9 -48.3 78 78 A P - 0 0 62 0, 0.0 2,-0.1 0, 0.0 7,-0.1 -0.221 16.2-127.0 -68.8 153.3 -0.3 -27.7 -47.6 79 79 A G - 0 0 10 2,-0.1 3,-0.1 3,-0.1 6,-0.0 -0.330 2.6-141.4 -85.6 177.3 -0.1 -24.9 -50.1 80 80 A T S S+ 0 0 94 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.452 82.2 36.3-120.7 -7.1 3.0 -23.3 -51.5 81 81 A T S > S- 0 0 56 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.907 92.3-100.4-139.4 164.3 2.0 -19.6 -51.5 82 82 A V H > S+ 0 0 7 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.942 122.1 47.1 -58.4 -48.0 -0.2 -17.5 -49.2 83 83 A P H > S+ 0 0 39 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.917 113.7 48.9 -61.0 -39.3 -3.3 -17.7 -51.4 84 84 A E H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.880 111.3 49.7 -65.4 -35.9 -2.9 -21.4 -51.9 85 85 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.922 110.9 48.7 -70.8 -43.4 -2.4 -22.0 -48.1 86 86 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.940 114.2 46.7 -58.0 -47.7 -5.5 -20.0 -47.3 87 87 A E H X S+ 0 0 101 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.878 110.8 52.4 -62.8 -38.9 -7.5 -21.9 -49.9 88 88 A A H X S+ 0 0 21 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.899 111.0 46.7 -65.9 -39.5 -6.2 -25.3 -48.7 89 89 A D H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.889 111.8 51.2 -68.0 -37.7 -7.2 -24.5 -45.1 90 90 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.914 109.1 50.6 -66.9 -41.6 -10.6 -23.3 -46.3 91 91 A K H X S+ 0 0 165 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.930 112.2 48.2 -59.9 -45.0 -11.1 -26.6 -48.2 92 92 A L H X S+ 0 0 34 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.944 111.7 48.3 -59.8 -48.6 -10.1 -28.5 -45.1 93 93 A E H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.866 109.5 53.3 -63.0 -34.7 -12.5 -26.6 -42.9 94 94 A R H X S+ 0 0 135 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.895 110.4 48.0 -66.2 -35.7 -15.4 -27.0 -45.4 95 95 A H H X S+ 0 0 112 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.925 112.0 48.3 -68.2 -43.3 -14.7 -30.8 -45.3 96 96 A V H X S+ 0 0 5 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.900 109.4 54.8 -62.7 -40.4 -14.6 -30.8 -41.5 97 97 A R H X S+ 0 0 101 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.937 110.7 44.0 -59.0 -50.2 -17.9 -28.7 -41.4 98 98 A A H X S+ 0 0 57 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.906 114.0 50.7 -62.8 -38.7 -19.7 -31.2 -43.6 99 99 A A H X S+ 0 0 14 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.895 110.8 48.8 -67.9 -39.5 -18.3 -34.2 -41.6 100 100 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.917 109.7 51.4 -67.0 -42.2 -19.3 -32.6 -38.3 101 101 A A H X S+ 0 0 26 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.913 110.4 49.2 -61.8 -40.2 -22.9 -31.9 -39.5 102 102 A K H X S+ 0 0 144 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.893 110.3 52.2 -64.7 -38.3 -23.2 -35.5 -40.7 103 103 A G H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.860 105.1 54.2 -63.6 -38.6 -21.9 -36.7 -37.2 104 104 A I H X S+ 0 0 18 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.932 109.2 48.6 -63.0 -43.9 -24.5 -34.5 -35.4 105 105 A A H X S+ 0 0 59 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.898 112.1 49.1 -63.9 -38.9 -27.3 -36.2 -37.4 106 106 A L H X S+ 0 0 26 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.906 109.5 50.7 -66.6 -42.9 -25.9 -39.6 -36.6 107 107 A C H <>S+ 0 0 3 -4,-2.7 5,-2.9 2,-0.2 4,-0.3 0.895 110.1 50.4 -61.5 -39.3 -25.6 -38.9 -32.9 108 108 A E H ><5S+ 0 0 84 -4,-2.2 3,-1.4 3,-0.2 -2,-0.2 0.944 109.0 52.4 -63.7 -44.5 -29.2 -37.8 -32.9 109 109 A Q H 3<5S+ 0 0 126 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.871 114.8 40.8 -57.2 -42.4 -30.3 -41.0 -34.7 110 110 A H T 3<5S- 0 0 41 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.305 113.6-118.0 -93.7 9.3 -28.5 -43.2 -32.1 111 111 A K T < 5 + 0 0 154 -3,-1.4 2,-0.9 -4,-0.3 -3,-0.2 0.840 65.6 144.0 59.9 37.5 -29.6 -41.0 -29.2 112 112 A D >< + 0 0 20 -5,-2.9 4,-2.1 1,-0.2 -1,-0.2 -0.745 16.4 166.9-102.8 80.8 -26.1 -40.0 -28.2 113 113 A F H > + 0 0 114 -2,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.776 69.1 53.1 -75.3 -27.3 -27.0 -36.4 -27.2 114 114 A V H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 109.8 48.1 -72.0 -46.1 -23.8 -35.6 -25.4 115 115 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.926 110.5 54.0 -57.2 -41.7 -21.7 -36.6 -28.3 116 116 A R H X S+ 0 0 96 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.915 106.9 50.4 -55.8 -46.1 -24.0 -34.5 -30.5 117 117 A D H X S+ 0 0 92 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.860 107.9 52.5 -63.3 -36.8 -23.4 -31.5 -28.2 118 118 A I H X S+ 0 0 44 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.943 112.3 46.2 -62.8 -44.4 -19.6 -31.9 -28.4 119 119 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.883 108.5 55.4 -67.4 -37.0 -19.8 -31.9 -32.2 120 120 A K H X S+ 0 0 109 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.909 106.8 51.2 -60.8 -41.0 -22.2 -28.9 -32.3 121 121 A A H X S+ 0 0 44 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.919 112.4 45.7 -63.8 -42.0 -19.6 -26.9 -30.3 122 122 A Q H X S+ 0 0 5 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.852 110.0 55.0 -67.0 -35.6 -16.9 -27.9 -32.8 123 123 A L H X S+ 0 0 21 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.909 106.5 50.9 -64.0 -41.8 -19.2 -27.1 -35.7 124 124 A A H X S+ 0 0 40 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.930 111.4 48.3 -62.3 -42.8 -19.8 -23.6 -34.3 125 125 A D H X>S+ 0 0 45 -4,-1.9 5,-2.2 1,-0.2 4,-1.8 0.921 112.0 49.6 -61.0 -45.0 -16.1 -23.1 -34.1 126 126 A T H <>S+ 0 0 0 -4,-2.5 5,-3.0 3,-0.2 6,-0.4 0.932 120.2 34.3 -61.2 -46.6 -15.5 -24.4 -37.6 127 127 A E H <>S+ 0 0 74 -4,-2.5 5,-0.5 3,-0.2 -2,-0.2 0.914 126.6 34.5 -75.3 -46.4 -18.2 -22.2 -39.2 128 128 A E H <5S+ 0 0 136 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.689 133.1 18.2 -93.6 -17.3 -18.0 -19.0 -37.2 129 129 A D T X5S+ 0 0 69 -4,-1.8 4,-1.9 -5,-0.4 5,-0.2 0.747 126.6 32.5-113.8 -66.8 -14.3 -18.8 -36.4 130 130 A H H > S+ 0 0 53 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.868 122.1 54.8 -65.6 -39.4 -2.5 -9.5 -52.7 147 147 A E H > S+ 0 0 150 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.935 111.6 43.6 -65.3 -45.9 0.5 -7.2 -52.2 148 148 A N H > S+ 0 0 93 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.900 113.6 52.6 -62.4 -41.6 -1.4 -4.8 -49.9 149 149 A Y H X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.2 3,-0.2 0.947 109.3 48.3 -60.9 -46.6 -2.9 -7.8 -48.0 150 150 A L H >< S+ 0 0 37 -4,-2.9 3,-1.4 1,-0.2 4,-0.3 0.905 107.3 56.2 -61.3 -40.1 0.5 -9.3 -47.5 151 151 A Q H >< S+ 0 0 131 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.894 103.2 55.9 -55.9 -40.0 1.9 -6.0 -46.2 152 152 A S H 3< S+ 0 0 56 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.638 102.7 56.7 -69.9 -13.5 -0.9 -6.0 -43.6 153 153 A Q T << 0 0 13 -3,-1.4 -114,-2.1 -4,-0.6 -113,-0.7 0.385 360.0 360.0-103.9 1.8 0.2 -9.4 -42.3 154 154 A I < 0 0 131 -3,-1.3 -117,-0.2 -4,-0.3 -118,-0.1 -0.360 360.0 360.0 -58.2 360.0 3.8 -8.5 -41.4