==== 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 3R2L . 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) . 8446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 85.7 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 . 4 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.5 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 0 140 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.2 20.5 20.5 46.9 2 2 A Q - 0 0 160 64,-0.1 64,-0.2 1,-0.0 63,-0.1 -0.642 360.0-147.1 -78.7 122.3 20.3 24.0 48.6 3 3 A G - 0 0 15 62,-2.4 -1,-0.0 -2,-0.5 109,-0.0 -0.309 33.8 -79.8 -75.1 170.8 21.1 26.8 46.2 4 4 A H >> - 0 0 70 1,-0.1 4,-2.7 106,-0.1 3,-0.6 -0.573 38.3-132.0 -69.6 128.2 22.9 30.0 47.2 5 5 A P H 3> S+ 0 0 86 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.812 106.5 53.8 -53.8 -33.9 20.3 32.3 48.8 6 6 A E H 3> S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.871 111.0 45.2 -69.7 -38.1 21.4 35.2 46.6 7 7 A V H <> S+ 0 0 0 -3,-0.6 4,-3.0 2,-0.2 5,-0.3 0.946 113.0 50.4 -69.0 -46.5 21.0 33.2 43.4 8 8 A I H X S+ 0 0 19 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.943 111.3 48.8 -57.5 -46.6 17.6 31.9 44.5 9 9 A D H X S+ 0 0 89 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.905 112.7 47.6 -59.8 -41.3 16.4 35.4 45.3 10 10 A Y H X S+ 0 0 33 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.884 109.5 52.4 -72.2 -35.3 17.7 36.7 41.9 11 11 A L H X S+ 0 0 2 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.903 107.5 54.3 -63.3 -39.3 16.0 33.8 40.0 12 12 A N H X S+ 0 0 7 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.902 106.3 51.0 -61.9 -39.4 12.8 34.7 41.8 13 13 A T H X S+ 0 0 66 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.920 111.9 46.9 -61.9 -42.9 13.2 38.3 40.5 14 14 A L H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.914 109.1 56.6 -64.1 -41.1 13.6 37.0 37.0 15 15 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.945 105.9 47.4 -58.7 -50.0 10.6 34.7 37.5 16 16 A T H X S+ 0 0 11 -4,-2.2 58,-2.2 1,-0.2 4,-1.5 0.827 112.1 52.9 -65.1 -28.6 8.2 37.5 38.4 17 17 A G H X S+ 0 0 8 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.2 0.876 109.9 46.6 -68.6 -39.5 9.5 39.4 35.3 18 18 A E H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.894 109.4 54.0 -71.2 -39.4 8.9 36.4 33.0 19 19 A L H X S+ 0 0 5 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.910 111.5 47.1 -57.9 -42.9 5.3 35.9 34.4 20 20 A A H X S+ 0 0 2 -4,-1.5 4,-2.7 -5,-0.3 -2,-0.2 0.912 109.5 51.1 -63.1 -46.2 4.8 39.6 33.6 21 21 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.941 109.5 52.9 -56.2 -46.8 6.2 39.3 30.0 22 22 A R H X S+ 0 0 64 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.953 112.5 44.9 -51.9 -51.8 3.9 36.3 29.5 23 23 A D H X S+ 0 0 48 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.857 109.5 52.9 -66.9 -32.7 0.9 38.5 30.6 24 24 A Q H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.909 112.3 45.8 -71.5 -38.9 1.8 41.5 28.6 25 25 A Y H X S+ 0 0 5 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.855 108.4 59.9 -67.2 -31.4 2.0 39.3 25.4 26 26 A F H X S+ 0 0 101 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.986 113.1 35.5 -57.1 -59.9 -1.3 37.8 26.5 27 27 A I H X S+ 0 0 67 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.937 118.3 50.0 -65.9 -44.0 -3.1 41.1 26.4 28 28 A H H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.913 109.8 51.1 -62.8 -41.3 -1.3 42.6 23.4 29 29 A S H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.937 112.5 46.0 -61.6 -41.9 -1.8 39.5 21.2 30 30 A R H X S+ 0 0 90 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.845 111.1 52.5 -70.4 -31.2 -5.5 39.5 22.0 31 31 A M H X S+ 0 0 38 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.907 108.6 51.0 -67.1 -41.0 -5.7 43.3 21.3 32 32 A Y H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.3 0.907 111.9 46.5 -60.9 -43.0 -4.1 42.7 18.0 33 33 A E H ><5S+ 0 0 82 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.885 106.5 58.6 -67.3 -39.6 -6.6 40.0 17.1 34 34 A D H 3<5S+ 0 0 128 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.853 109.0 46.4 -55.4 -35.7 -9.5 42.3 18.3 35 35 A W T 3<5S- 0 0 104 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.493 122.6-105.6 -87.9 -4.6 -8.3 44.8 15.7 36 36 A G T < 5S+ 0 0 35 -3,-1.3 2,-1.2 -4,-0.3 -3,-0.2 0.612 78.0 131.3 90.7 12.9 -8.0 42.2 12.9 37 37 A F >>< + 0 0 31 -5,-2.6 4,-2.1 117,-0.2 3,-0.6 -0.664 24.7 169.8 -96.0 80.8 -4.2 41.9 12.8 38 38 A S H 3> S+ 0 0 43 -2,-1.2 4,-2.6 1,-0.3 5,-0.2 0.810 70.7 58.5 -69.4 -24.6 -3.9 38.2 12.8 39 39 A K H 3> S+ 0 0 120 114,-2.0 4,-1.8 2,-0.2 -1,-0.3 0.867 108.8 45.5 -72.4 -31.8 -0.2 38.0 12.0 40 40 A L H <> S+ 0 0 0 113,-0.7 4,-2.5 -3,-0.6 5,-0.3 0.886 111.8 53.3 -73.9 -38.5 0.6 40.1 15.1 41 41 A Y H X S+ 0 0 47 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.942 109.8 48.0 -56.6 -50.1 -1.8 37.9 17.1 42 42 A E H X S+ 0 0 113 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.920 113.2 46.4 -61.6 -43.5 -0.0 34.8 16.0 43 43 A R H X S+ 0 0 73 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.945 116.6 42.3 -66.6 -45.9 3.5 36.1 16.7 44 44 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.830 112.1 55.2 -75.1 -27.9 2.7 37.5 20.2 45 45 A N H X S+ 0 0 22 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.925 109.7 47.8 -63.9 -42.0 0.6 34.4 21.1 46 46 A H H X S+ 0 0 90 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.931 111.1 50.4 -62.9 -45.0 3.6 32.4 20.2 47 47 A E H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.884 104.9 57.3 -64.6 -36.6 5.8 34.7 22.4 48 48 A M H X S+ 0 0 23 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.915 108.0 48.3 -53.3 -45.1 3.4 34.3 25.3 49 49 A E H X S+ 0 0 96 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.925 110.4 51.7 -63.1 -40.5 4.0 30.5 25.1 50 50 A E H X S+ 0 0 23 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.879 109.3 48.3 -63.3 -41.4 7.7 31.1 25.0 51 51 A E H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.848 107.5 56.7 -68.8 -33.3 7.7 33.3 28.1 52 52 A T H X S+ 0 0 61 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.921 109.0 46.4 -61.6 -40.3 5.6 30.7 29.9 53 53 A Q H X S+ 0 0 123 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.873 111.0 51.5 -67.5 -37.6 8.3 28.2 29.1 54 54 A H H X S+ 0 0 10 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.950 112.8 46.0 -64.3 -45.7 11.0 30.7 30.3 55 55 A A H X S+ 0 0 5 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.922 111.2 52.9 -57.7 -46.4 9.0 31.2 33.6 56 56 A D H X S+ 0 0 60 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.912 106.6 51.5 -58.4 -44.9 8.6 27.4 33.9 57 57 A A H X S+ 0 0 40 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.914 113.9 44.9 -60.6 -40.8 12.4 26.8 33.6 58 58 A L H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.941 112.4 50.7 -67.9 -47.7 13.1 29.4 36.3 59 59 A L H X S+ 0 0 39 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.924 112.3 46.2 -54.4 -50.7 10.3 28.1 38.6 60 60 A R H X S+ 0 0 161 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.882 111.6 51.3 -62.7 -37.9 11.6 24.5 38.3 61 61 A R H X S+ 0 0 25 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.924 108.8 51.7 -66.5 -42.7 15.2 25.5 38.9 62 62 A I H <>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 -2,-0.2 0.925 111.5 47.4 -58.8 -45.0 14.2 27.5 42.1 63 63 A L H ><5S+ 0 0 99 -4,-2.3 3,-2.0 1,-0.2 -1,-0.2 0.917 109.3 52.9 -63.4 -41.5 12.3 24.4 43.4 64 64 A L H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.879 107.7 52.0 -60.4 -36.0 15.3 22.1 42.6 65 65 A L T 3<5S- 0 0 2 -4,-1.9 -62,-2.4 -5,-0.1 -1,-0.3 0.292 122.4-110.9 -84.2 8.0 17.5 24.5 44.6 66 66 A E T < 5S+ 0 0 112 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.715 73.9 133.8 69.3 24.0 15.0 24.2 47.5 67 67 A G < - 0 0 12 -5,-2.8 -1,-0.2 -6,-0.2 -58,-0.0 -0.399 59.5-114.3 -90.4 178.0 13.7 27.7 47.2 68 68 A T - 0 0 117 -2,-0.1 2,-0.1 2,-0.0 -5,-0.0 -0.958 32.4-126.8-115.8 116.4 10.1 29.0 47.2 69 69 A P - 0 0 26 0, 0.0 2,-0.6 0, 0.0 -60,-0.0 -0.385 10.7-134.5 -70.7 145.8 9.0 30.5 43.9 70 70 A R - 0 0 110 1,-0.1 -11,-0.0 -2,-0.1 -2,-0.0 -0.887 22.2-175.6 -94.4 116.3 7.5 34.0 44.0 71 71 A M + 0 0 101 -2,-0.6 -1,-0.1 2,-0.1 -12,-0.0 0.399 45.0 109.4-101.8 0.0 4.4 33.8 41.7 72 72 A R - 0 0 208 1,-0.0 -52,-0.1 -53,-0.0 -53,-0.1 -0.657 66.7-133.5 -76.8 116.6 3.2 37.4 41.7 73 73 A P - 0 0 47 0, 0.0 -56,-0.2 0, 0.0 -57,-0.1 -0.350 20.8-107.0 -67.0 149.3 3.9 38.9 38.2 74 74 A D - 0 0 68 -58,-2.2 2,-0.0 1,-0.1 -61,-0.0 -0.264 52.2 -82.3 -56.6 155.0 5.6 42.3 37.9 75 75 A D - 0 0 136 1,-0.0 2,-0.2 2,-0.0 -1,-0.1 -0.361 47.4-142.6 -54.5 141.6 3.2 45.1 36.8 76 76 A I - 0 0 55 -3,-0.1 -55,-0.1 -53,-0.1 -1,-0.0 -0.706 7.5-154.1-104.7 171.3 2.7 45.2 33.0 77 77 A H - 0 0 129 -2,-0.2 15,-0.1 11,-0.1 -2,-0.0 -0.613 16.1-166.9-144.7 67.8 2.3 48.3 30.9 78 78 A P - 0 0 61 0, 0.0 7,-0.1 0, 0.0 2,-0.1 -0.237 16.3-127.3 -64.7 152.3 0.3 47.6 27.8 79 79 A G - 0 0 9 2,-0.1 3,-0.1 3,-0.1 6,-0.0 -0.291 3.3-140.3 -87.7 178.7 0.2 50.2 24.9 80 80 A T S S+ 0 0 96 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.433 82.2 37.1-119.1 -8.3 -3.0 51.5 23.3 81 81 A T S > S- 0 0 61 1,-0.1 4,-2.9 0, 0.0 5,-0.2 -0.927 92.3-100.3-137.1 162.2 -1.9 51.5 19.6 82 82 A V H > S+ 0 0 7 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.943 122.2 46.0 -54.6 -50.7 0.2 49.2 17.5 83 83 A P H > S+ 0 0 39 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.930 114.0 48.8 -61.3 -40.1 3.3 51.4 17.7 84 84 A E H > S+ 0 0 91 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.893 111.7 50.4 -61.3 -39.2 2.9 51.9 21.5 85 85 A M H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.926 111.1 47.1 -66.5 -45.2 2.5 48.2 22.0 86 86 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.951 115.2 47.1 -56.9 -49.7 5.6 47.3 20.0 87 87 A E H X S+ 0 0 102 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.906 111.0 51.8 -60.6 -40.1 7.6 50.0 22.0 88 88 A A H X S+ 0 0 22 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.895 111.3 46.1 -66.7 -39.1 6.2 48.7 25.3 89 89 A D H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.890 112.2 51.5 -68.5 -36.3 7.2 45.1 24.5 90 90 A L H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.913 109.2 50.1 -65.4 -41.5 10.7 46.2 23.4 91 91 A K H X S+ 0 0 166 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.936 112.1 48.5 -62.6 -45.5 11.2 48.2 26.6 92 92 A L H X S+ 0 0 36 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.910 112.2 47.8 -59.9 -45.9 10.2 45.1 28.6 93 93 A E H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.870 109.8 52.9 -65.3 -37.8 12.5 42.9 26.6 94 94 A R H X S+ 0 0 134 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.891 110.2 48.8 -63.2 -37.6 15.4 45.4 27.1 95 95 A H H X S+ 0 0 109 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.927 112.0 47.7 -65.3 -45.0 14.8 45.3 30.8 96 96 A V H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.910 109.6 54.4 -60.1 -42.1 14.7 41.5 30.8 97 97 A R H X S+ 0 0 104 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.946 110.9 44.5 -57.8 -51.0 18.0 41.4 28.7 98 98 A A H X S+ 0 0 57 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.921 114.2 50.1 -61.5 -42.0 19.8 43.7 31.3 99 99 A A H X S+ 0 0 15 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.874 110.9 48.4 -67.5 -38.7 18.4 41.6 34.2 100 100 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.909 109.5 52.5 -67.0 -42.1 19.4 38.3 32.7 101 101 A A H X S+ 0 0 29 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.925 111.0 47.3 -61.2 -38.0 23.0 39.6 32.0 102 102 A K H X S+ 0 0 131 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.899 111.2 53.1 -71.9 -35.0 23.3 40.7 35.6 103 103 A G H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.884 105.4 52.2 -65.4 -38.3 22.0 37.3 36.7 104 104 A I H X S+ 0 0 18 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.933 109.6 50.3 -64.0 -44.4 24.5 35.4 34.6 105 105 A A H X S+ 0 0 63 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.920 111.3 48.9 -58.5 -43.0 27.3 37.5 36.3 106 106 A L H X S+ 0 0 20 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.901 110.5 50.0 -63.7 -43.2 25.9 36.7 39.7 107 107 A C H <>S+ 0 0 2 -4,-2.6 5,-3.0 2,-0.2 -1,-0.2 0.885 109.9 50.5 -63.6 -39.2 25.6 33.0 39.0 108 108 A E H ><5S+ 0 0 84 -4,-2.4 3,-1.6 3,-0.2 -2,-0.2 0.952 109.5 51.3 -63.0 -48.0 29.2 32.9 37.8 109 109 A Q H 3<5S+ 0 0 135 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.880 114.6 42.5 -55.6 -41.7 30.3 34.7 41.0 110 110 A H T 3<5S- 0 0 37 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.308 113.1-120.3 -90.6 9.3 28.5 32.1 43.2 111 111 A K T < 5 + 0 0 161 -3,-1.6 2,-0.9 -4,-0.2 -3,-0.2 0.850 65.8 143.0 57.1 37.0 29.7 29.3 41.0 112 112 A D >< + 0 0 22 -5,-3.0 4,-2.0 1,-0.2 -1,-0.2 -0.760 17.8 167.2-102.7 84.0 26.2 28.2 40.1 113 113 A F H > + 0 0 108 -2,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.787 68.2 54.4 -78.9 -27.3 27.0 27.3 36.5 114 114 A V H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 109.8 47.3 -72.2 -44.2 23.8 25.4 35.6 115 115 A S H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.927 110.7 54.6 -60.1 -40.6 21.6 28.4 36.7 116 116 A R H X S+ 0 0 96 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.921 107.7 48.6 -54.9 -44.9 24.0 30.5 34.6 117 117 A D H X S+ 0 0 94 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.866 107.6 54.6 -66.8 -33.9 23.4 28.3 31.5 118 118 A I H X S+ 0 0 44 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.950 111.6 45.1 -65.1 -43.8 19.6 28.4 32.0 119 119 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.861 108.7 56.4 -66.8 -35.9 19.8 32.3 32.0 120 120 A K H X S+ 0 0 100 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.926 105.4 51.8 -62.1 -39.3 22.1 32.3 29.0 121 121 A A H X S+ 0 0 46 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.927 113.1 45.2 -62.6 -43.1 19.6 30.3 27.0 122 122 A Q H X S+ 0 0 6 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.852 109.9 54.9 -69.7 -33.5 16.9 32.8 27.9 123 123 A L H X S+ 0 0 22 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.910 106.7 50.3 -65.2 -41.8 19.2 35.7 27.1 124 124 A A H X S+ 0 0 37 -4,-2.5 4,-2.9 1,-0.2 5,-0.5 0.949 111.8 48.6 -62.7 -44.8 19.9 34.4 23.6 125 125 A D H X>S+ 0 0 49 -4,-1.9 5,-2.2 1,-0.2 4,-1.7 0.923 112.7 49.3 -56.2 -47.6 16.0 34.1 23.1 126 126 A T H <>S+ 0 0 0 -4,-2.6 5,-3.2 3,-0.2 6,-0.4 0.947 120.3 33.5 -60.1 -49.2 15.5 37.7 24.4 127 127 A E H <>S+ 0 0 73 -4,-2.8 5,-0.6 4,-0.2 -2,-0.2 0.925 127.3 33.5 -74.4 -47.4 18.2 39.3 22.2 128 128 A E H <5S+ 0 0 135 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.683 133.0 19.3 -93.9 -16.7 18.0 37.3 19.0 129 129 A D T X5S+ 0 0 68 -4,-1.7 4,-1.9 -5,-0.5 5,-0.2 0.738 127.5 30.4-112.9 -69.9 14.4 36.4 18.9 130 130 A H H > S+ 0 0 55 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.867 122.6 55.7 -65.2 -41.8 2.6 52.7 9.5 147 147 A E H > S+ 0 0 149 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.942 111.3 42.8 -58.7 -49.9 -0.4 52.3 7.2 148 148 A N H > S+ 0 0 92 -4,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.885 113.1 53.5 -61.5 -41.1 1.4 49.9 4.9 149 149 A Y H X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.2 3,-0.3 0.951 109.5 47.7 -60.9 -47.6 2.9 48.1 7.8 150 150 A L H >< S+ 0 0 38 -4,-2.7 3,-1.3 1,-0.3 4,-0.4 0.894 108.0 56.0 -63.0 -37.1 -0.5 47.5 9.4 151 151 A Q H >< S+ 0 0 135 -4,-2.1 3,-1.2 1,-0.3 -1,-0.3 0.897 103.7 54.9 -58.7 -39.0 -1.8 46.3 6.0 152 152 A S H 3< S+ 0 0 52 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.621 103.5 56.6 -72.2 -11.9 0.9 43.7 6.0 153 153 A Q T << 0 0 20 -3,-1.3 -114,-2.0 -4,-0.6 -113,-0.7 0.393 360.0 360.0-103.8 -0.1 -0.2 42.3 9.4 154 154 A I < 0 0 121 -3,-1.2 -117,-0.2 -4,-0.4 -118,-0.1 -0.321 360.0 360.0 -58.1 360.0 -3.8 41.5 8.5