==== 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 3R2S . 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) . 8275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 86.4 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 . 112 72.7 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 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 1 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 0 142 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.4 -20.5 -19.9 -46.5 2 2 A Q - 0 0 133 64,-0.1 64,-0.2 1,-0.0 63,-0.1 -0.648 360.0-159.1 -86.2 113.2 -23.6 -20.2 -48.7 3 3 A G - 0 0 11 62,-2.2 109,-0.0 -2,-0.8 -1,-0.0 -0.268 32.7 -79.1 -83.6 173.1 -26.6 -21.0 -46.4 4 4 A H >> - 0 0 88 1,-0.2 4,-2.3 106,-0.1 3,-0.8 -0.605 36.9-133.5 -74.9 124.1 -29.9 -22.5 -47.4 5 5 A P H 3> S+ 0 0 95 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.799 106.4 51.1 -50.5 -32.2 -32.1 -19.9 -49.0 6 6 A E H 3> S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.893 109.5 48.3 -71.4 -42.1 -35.1 -21.0 -46.8 7 7 A V H <> S+ 0 0 1 -3,-0.8 4,-2.2 2,-0.2 5,-0.2 0.963 113.4 48.5 -59.3 -49.7 -33.1 -20.8 -43.5 8 8 A I H X S+ 0 0 15 -4,-2.3 4,-2.5 1,-0.3 -2,-0.2 0.874 110.4 51.9 -59.6 -41.3 -31.8 -17.3 -44.5 9 9 A D H X S+ 0 0 82 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.3 0.907 112.1 44.5 -64.3 -42.8 -35.3 -16.2 -45.3 10 10 A Y H X S+ 0 0 28 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.817 109.5 54.8 -75.3 -28.8 -36.6 -17.3 -42.0 11 11 A L H X S+ 0 0 2 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.938 108.5 52.5 -61.2 -46.6 -33.7 -15.8 -40.0 12 12 A N H X S+ 0 0 8 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.873 106.5 51.1 -54.2 -42.3 -34.6 -12.6 -41.7 13 13 A T H X S+ 0 0 51 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.944 112.9 45.4 -60.9 -47.9 -38.2 -13.1 -40.6 14 14 A L H X S+ 0 0 8 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.890 109.5 57.3 -58.7 -42.7 -36.9 -13.6 -37.0 15 15 A L H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.936 105.4 48.2 -57.7 -49.1 -34.6 -10.6 -37.4 16 16 A T H X S+ 0 0 12 -4,-2.2 58,-2.3 1,-0.2 4,-1.3 0.827 111.7 51.8 -66.7 -26.2 -37.5 -8.2 -38.3 17 17 A G H X S+ 0 0 7 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.2 0.884 110.8 47.0 -72.5 -35.9 -39.4 -9.5 -35.2 18 18 A E H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.912 109.1 53.5 -72.1 -39.8 -36.3 -8.9 -32.9 19 19 A L H X S+ 0 0 6 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.900 111.1 49.2 -57.6 -36.5 -35.8 -5.4 -34.3 20 20 A A H X S+ 0 0 3 -4,-1.3 4,-2.4 -5,-0.2 -2,-0.2 0.904 108.9 49.4 -68.4 -47.0 -39.5 -4.9 -33.4 21 21 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.935 109.0 53.9 -61.0 -46.9 -39.2 -6.2 -29.9 22 22 A R H X S+ 0 0 66 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.941 112.9 44.0 -45.8 -53.4 -36.1 -3.9 -29.4 23 23 A D H X S+ 0 0 48 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.828 109.7 53.9 -69.4 -32.4 -38.3 -0.9 -30.5 24 24 A Q H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.893 112.6 44.9 -67.2 -38.7 -41.4 -1.9 -28.5 25 25 A Y H X S+ 0 0 3 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.849 108.0 59.2 -72.6 -32.9 -39.2 -2.0 -25.3 26 26 A F H X S+ 0 0 100 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.982 113.0 37.0 -57.4 -58.0 -37.5 1.2 -26.3 27 27 A I H X S+ 0 0 70 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.946 117.7 50.6 -63.9 -47.3 -40.8 3.1 -26.2 28 28 A H H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.943 109.5 50.6 -57.3 -47.9 -42.3 1.2 -23.2 29 29 A S H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.924 113.1 45.7 -56.4 -43.8 -39.2 1.8 -21.1 30 30 A R H X S+ 0 0 91 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.794 111.2 52.3 -73.8 -27.2 -39.2 5.5 -21.8 31 31 A M H X S+ 0 0 38 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.911 109.6 50.1 -67.4 -42.7 -43.0 5.7 -21.2 32 32 A Y H X>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 4,-0.6 0.925 112.0 48.4 -61.1 -44.4 -42.4 4.0 -17.8 33 33 A E H ><5S+ 0 0 86 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.893 107.7 53.5 -62.4 -44.5 -39.7 6.5 -17.0 34 34 A D H 3<5S+ 0 0 130 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.897 109.5 49.8 -57.9 -39.3 -41.8 9.5 -18.0 35 35 A W H 3<5S- 0 0 103 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.573 121.9-106.5 -78.7 -9.9 -44.5 8.2 -15.6 36 36 A G T <<5S+ 0 0 36 -3,-1.0 2,-1.1 -4,-0.6 -3,-0.2 0.618 77.4 131.6 98.3 12.5 -42.0 7.8 -12.7 37 37 A F >>< + 0 0 33 -5,-2.4 4,-2.8 117,-0.2 3,-0.9 -0.656 25.0 172.3 -97.9 78.5 -41.7 4.0 -12.6 38 38 A S H 3> S+ 0 0 46 -2,-1.1 4,-2.6 1,-0.3 -1,-0.2 0.813 74.8 56.1 -56.9 -34.8 -37.9 3.8 -12.5 39 39 A K H 3> S+ 0 0 112 114,-1.8 4,-1.6 2,-0.2 -1,-0.3 0.830 109.9 43.6 -72.4 -32.2 -37.9 0.1 -11.8 40 40 A L H <> S+ 0 0 0 -3,-0.9 4,-3.0 113,-0.7 5,-0.4 0.899 112.8 54.0 -76.8 -40.0 -40.0 -0.7 -15.0 41 41 A Y H X S+ 0 0 41 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.941 110.1 46.6 -53.3 -46.9 -37.8 1.7 -16.9 42 42 A E H X S+ 0 0 116 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.922 114.9 45.8 -69.1 -40.3 -34.7 -0.2 -15.8 43 43 A R H X S+ 0 0 80 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.958 115.9 43.6 -68.5 -49.9 -36.1 -3.6 -16.6 44 44 A L H X S+ 0 0 2 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.883 112.1 55.0 -62.6 -35.8 -37.5 -2.6 -20.0 45 45 A N H X S+ 0 0 18 -4,-2.6 4,-1.9 -5,-0.4 -2,-0.2 0.954 109.1 48.1 -60.5 -44.7 -34.3 -0.7 -20.8 46 46 A H H X S+ 0 0 80 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.898 110.9 49.6 -56.2 -46.4 -32.4 -3.9 -20.1 47 47 A E H X S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.924 107.0 56.4 -65.5 -38.0 -34.8 -6.0 -22.3 48 48 A M H X S+ 0 0 25 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.920 108.0 47.5 -55.1 -43.8 -34.3 -3.5 -25.0 49 49 A E H X S+ 0 0 97 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.897 111.9 50.2 -67.7 -36.2 -30.5 -4.1 -24.8 50 50 A E H X S+ 0 0 18 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.911 108.8 50.8 -67.5 -43.5 -31.0 -7.8 -24.9 51 51 A E H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.885 106.3 57.4 -60.1 -34.8 -33.3 -7.7 -27.9 52 52 A T H X S+ 0 0 58 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.914 107.9 45.6 -65.9 -35.3 -30.6 -5.6 -29.5 53 53 A Q H X S+ 0 0 122 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.872 111.0 53.1 -72.5 -37.1 -28.1 -8.5 -29.0 54 54 A H H X S+ 0 0 12 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.967 112.1 45.1 -60.5 -49.6 -30.7 -11.0 -30.3 55 55 A A H X S+ 0 0 5 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.930 112.0 52.8 -52.9 -49.1 -31.1 -8.9 -33.4 56 56 A D H X S+ 0 0 65 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.937 107.6 50.5 -56.9 -48.3 -27.3 -8.6 -33.7 57 57 A A H X S+ 0 0 40 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.919 113.8 44.9 -60.0 -41.0 -26.7 -12.3 -33.5 58 58 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.2 0.940 112.8 51.6 -66.7 -45.0 -29.3 -13.0 -36.3 59 59 A L H X S+ 0 0 40 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.910 112.8 43.5 -59.5 -46.5 -28.0 -10.2 -38.5 60 60 A R H X S+ 0 0 165 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.847 112.6 53.0 -68.3 -37.4 -24.4 -11.5 -38.3 61 61 A R H X S+ 0 0 28 -4,-1.8 4,-1.6 -5,-0.3 -2,-0.2 0.942 108.9 49.7 -67.2 -42.1 -25.4 -15.1 -38.8 62 62 A I H <>S+ 0 0 0 -4,-2.9 5,-2.8 1,-0.2 -2,-0.2 0.928 111.9 48.7 -61.9 -44.5 -27.4 -14.0 -42.0 63 63 A L H ><5S+ 0 0 93 -4,-2.2 3,-1.9 3,-0.2 -1,-0.2 0.925 108.4 53.1 -59.0 -44.9 -24.3 -12.1 -43.3 64 64 A L H 3<5S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.836 107.9 51.6 -56.9 -34.8 -22.0 -15.2 -42.6 65 65 A L T 3<5S- 0 0 6 -4,-1.6 -62,-2.2 -3,-0.2 -1,-0.3 0.214 122.1-111.1 -88.4 8.6 -24.5 -17.3 -44.6 66 66 A E T < 5S+ 0 0 112 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.709 72.9 137.2 64.3 26.1 -24.2 -14.8 -47.4 67 67 A G < - 0 0 13 -5,-2.8 -1,-0.2 -6,-0.2 -58,-0.0 -0.392 58.4-116.5 -86.0 172.9 -27.8 -13.5 -47.1 68 68 A T - 0 0 122 -2,-0.1 2,-0.1 2,-0.0 -56,-0.0 -0.963 33.5-128.7-113.2 114.5 -29.0 -9.9 -47.2 69 69 A P - 0 0 27 0, 0.0 2,-0.6 0, 0.0 -60,-0.1 -0.460 10.7-131.5 -70.1 144.2 -30.5 -9.0 -43.8 70 70 A R - 0 0 94 1,-0.1 -11,-0.0 -2,-0.1 -2,-0.0 -0.861 22.8-172.7 -89.3 117.9 -34.0 -7.4 -43.8 71 71 A M + 0 0 101 -2,-0.6 -1,-0.1 2,-0.1 -12,-0.0 0.402 46.3 106.9-100.8 3.8 -33.7 -4.4 -41.6 72 72 A R - 0 0 212 1,-0.0 -52,-0.1 3,-0.0 -53,-0.1 -0.723 66.7-133.7 -86.3 118.7 -37.3 -3.2 -41.4 73 73 A P - 0 0 37 0, 0.0 -56,-0.2 0, 0.0 -57,-0.1 -0.335 26.6-104.5 -58.2 149.5 -38.8 -4.0 -37.9 74 74 A D - 0 0 66 -58,-2.3 2,-0.1 1,-0.1 -61,-0.0 -0.214 53.3 -78.6 -61.5 166.0 -42.2 -5.6 -37.9 75 75 A D - 0 0 141 -3,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.431 51.5-147.9 -64.3 142.4 -45.1 -3.2 -36.9 76 76 A I - 0 0 53 -3,-0.1 -55,-0.0 -2,-0.1 -1,-0.0 -0.825 10.2-157.1-113.9 162.4 -45.2 -2.7 -33.1 77 77 A H - 0 0 131 -2,-0.3 -2,-0.0 11,-0.1 -53,-0.0 -0.668 15.1-164.6-141.8 79.0 -48.3 -2.0 -31.0 78 78 A P - 0 0 58 0, 0.0 7,-0.1 0, 0.0 2,-0.1 -0.222 18.3-120.1 -67.6 150.3 -47.4 -0.3 -27.7 79 79 A G - 0 0 8 1,-0.1 3,-0.1 3,-0.1 6,-0.1 -0.271 5.3-146.1 -79.3 175.5 -49.9 -0.1 -24.7 80 80 A T S S+ 0 0 97 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.432 81.6 40.1-122.6 -3.7 -51.2 3.1 -23.3 81 81 A T S > S- 0 0 54 1,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.934 92.1-103.2-136.6 162.9 -51.5 2.0 -19.6 82 82 A V H > S+ 0 0 8 -2,-0.3 4,-2.2 1,-0.2 5,-0.3 0.931 121.3 47.4 -56.7 -44.8 -49.3 -0.2 -17.5 83 83 A P H > S+ 0 0 42 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.900 113.7 47.0 -67.2 -33.5 -51.5 -3.2 -17.8 84 84 A E H > S+ 0 0 94 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.790 110.3 53.6 -70.9 -31.9 -51.8 -2.9 -21.6 85 85 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.944 110.2 46.2 -66.7 -46.5 -48.1 -2.4 -22.0 86 86 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.916 115.3 47.8 -62.4 -41.5 -47.3 -5.6 -20.0 87 87 A E H X S+ 0 0 93 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.876 110.1 51.3 -69.3 -37.5 -50.0 -7.4 -22.1 88 88 A A H X S+ 0 0 21 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.892 112.0 47.4 -67.8 -38.1 -48.7 -6.1 -25.4 89 89 A D H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.889 111.5 50.9 -66.5 -39.1 -45.1 -7.2 -24.4 90 90 A L H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.908 109.8 49.7 -65.6 -43.1 -46.4 -10.7 -23.4 91 91 A K H X S+ 0 0 153 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.923 110.6 51.4 -62.9 -41.2 -48.3 -11.1 -26.7 92 92 A L H X S+ 0 0 28 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.916 111.5 45.5 -58.9 -43.7 -45.1 -10.1 -28.5 93 93 A E H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.878 109.7 55.4 -75.5 -33.5 -42.9 -12.7 -26.7 94 94 A R H X S+ 0 0 115 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.916 110.8 45.4 -57.5 -43.7 -45.6 -15.4 -27.2 95 95 A H H X S+ 0 0 115 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.914 113.3 49.1 -65.8 -43.8 -45.4 -14.7 -30.9 96 96 A V H X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.901 108.6 54.4 -62.6 -39.8 -41.6 -14.7 -30.8 97 97 A R H X S+ 0 0 63 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.917 111.1 44.4 -58.1 -46.4 -41.6 -18.0 -28.9 98 98 A A H X S+ 0 0 66 -4,-1.9 4,-2.0 1,-0.2 5,-0.2 0.932 112.9 51.1 -68.4 -42.9 -43.8 -19.7 -31.5 99 99 A A H X S+ 0 0 17 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.887 111.2 48.6 -60.0 -41.6 -41.7 -18.2 -34.4 100 100 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.925 107.6 54.4 -65.3 -45.6 -38.4 -19.4 -32.9 101 101 A A H X S+ 0 0 53 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.924 111.3 45.7 -55.7 -43.5 -39.8 -23.0 -32.3 102 102 A K H X S+ 0 0 141 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.891 112.0 51.3 -68.7 -38.0 -40.7 -23.2 -35.9 103 103 A G H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.903 106.8 55.1 -64.3 -35.6 -37.3 -21.8 -37.0 104 104 A I H X S+ 0 0 19 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.932 110.0 44.9 -66.2 -41.8 -35.6 -24.4 -34.8 105 105 A A H X S+ 0 0 57 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.930 112.3 53.0 -67.9 -43.2 -37.5 -27.2 -36.6 106 106 A L H X S+ 0 0 29 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.875 108.3 48.8 -60.8 -38.7 -36.7 -25.7 -39.9 107 107 A C H X>S+ 0 0 3 -4,-2.6 5,-2.3 2,-0.2 4,-0.6 0.915 110.1 52.0 -66.6 -41.8 -33.0 -25.5 -39.1 108 108 A E H ><5S+ 0 0 89 -4,-2.2 3,-1.7 -5,-0.2 -2,-0.2 0.973 108.6 52.3 -56.6 -48.5 -33.0 -29.1 -38.0 109 109 A Q H 3<5S+ 0 0 130 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.869 113.4 41.3 -58.0 -40.8 -34.7 -30.0 -41.3 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