==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON STORAGE 04-AUG-95 1RCG . COMPND 2 MOLECULE: L FERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RANA CATESBEIANA; . AUTHOR J.TRIKHA,E.C.THEIL,N.M.ALLEWELL . 171 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 78.4 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 . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.5 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 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 2 0 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 S 0 0 84 0, 0.0 3,-0.4 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 132.7 18.0 21.8 52.2 2 3 A Q + 0 0 198 1,-0.2 70,-0.0 3,-0.0 0, 0.0 0.667 360.0 51.9 -67.0 -18.3 19.8 18.5 51.7 3 4 A V S S+ 0 0 84 69,-0.1 -1,-0.2 2,-0.0 69,-0.1 0.721 82.4 112.1 -91.7 -24.5 20.1 19.3 48.0 4 5 A R + 0 0 71 -3,-0.4 2,-0.3 68,-0.2 68,-0.1 -0.238 34.0 156.2 -61.0 130.6 21.7 22.8 48.4 5 6 A Q - 0 0 159 66,-0.5 3,-0.1 3,-0.0 -3,-0.0 -0.883 66.8 -9.3-159.6 123.0 25.3 23.2 47.3 6 7 A N S S+ 0 0 98 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.841 89.7 137.5 58.6 36.3 27.2 26.3 46.2 7 8 A F - 0 0 12 64,-0.1 -1,-0.2 65,-0.0 2,-0.1 -0.921 43.1-148.9-117.6 103.9 24.0 28.3 46.1 8 9 A H >> - 0 0 76 -2,-0.6 4,-2.2 1,-0.1 3,-0.6 -0.406 19.2-124.1 -74.4 147.6 24.4 31.7 47.6 9 10 A Q H 3> S+ 0 0 120 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.845 112.2 54.4 -55.3 -41.9 21.7 33.7 49.5 10 11 A D H 3> S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.830 108.3 47.9 -64.4 -35.2 22.1 36.6 47.1 11 12 A C H <> S+ 0 0 0 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.870 112.2 50.3 -73.3 -36.5 21.6 34.4 44.0 12 13 A E H X S+ 0 0 19 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.940 115.0 43.0 -65.0 -45.5 18.5 32.9 45.7 13 14 A A H X S+ 0 0 50 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.886 112.0 52.6 -68.7 -40.7 17.1 36.3 46.5 14 15 A G H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.864 107.6 54.5 -62.9 -34.5 18.0 37.7 43.0 15 16 A L H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.941 107.4 47.7 -65.6 -47.8 16.2 34.8 41.5 16 17 A N H X S+ 0 0 16 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.869 112.7 50.2 -63.1 -35.9 12.9 35.5 43.4 17 18 A R H X S+ 0 0 140 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.880 108.9 52.8 -71.3 -31.6 13.1 39.2 42.5 18 19 A T H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.829 103.6 54.9 -74.0 -32.4 13.6 38.2 38.8 19 20 A V H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.895 107.3 51.4 -68.6 -33.8 10.6 36.0 38.6 20 21 A N H X S+ 0 0 34 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.903 109.4 50.4 -66.3 -38.7 8.4 38.8 39.9 21 22 A L H X S+ 0 0 49 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.906 109.8 50.8 -63.5 -42.2 9.9 41.0 37.1 22 23 A K H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.888 110.4 48.4 -63.9 -40.8 9.1 38.3 34.6 23 24 A F H X S+ 0 0 50 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.881 110.1 52.7 -66.6 -37.7 5.5 38.1 35.8 24 25 A H H X S+ 0 0 26 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.889 109.1 49.0 -65.1 -39.0 5.2 41.9 35.6 25 26 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.901 109.7 51.5 -64.9 -44.8 6.5 41.9 32.0 26 27 A S H X S+ 0 0 15 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.923 110.1 50.0 -56.5 -46.2 4.0 39.2 31.0 27 28 A Y H X S+ 0 0 106 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.893 108.5 52.2 -61.5 -41.9 1.2 41.3 32.6 28 29 A V H X S+ 0 0 3 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.951 111.5 46.5 -60.8 -47.2 2.4 44.4 30.7 29 30 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.866 108.3 55.8 -63.8 -37.7 2.2 42.4 27.4 30 31 A L H X S+ 0 0 68 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.905 107.1 51.0 -59.7 -42.9 -1.2 41.0 28.2 31 32 A S H X S+ 0 0 20 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.909 110.4 48.3 -60.8 -44.4 -2.4 44.6 28.6 32 33 A M H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.926 111.0 50.7 -63.1 -44.7 -1.0 45.6 25.2 33 34 A A H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.921 111.3 47.8 -58.8 -46.9 -2.6 42.5 23.5 34 35 A S H >< S+ 0 0 58 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.872 108.1 56.5 -62.4 -37.6 -6.0 43.3 25.1 35 36 A Y H >< S+ 0 0 18 -4,-2.1 3,-1.3 1,-0.2 7,-0.2 0.895 105.1 51.1 -62.5 -40.5 -5.6 46.9 24.0 36 37 A F H 3< S+ 0 0 0 -4,-1.9 7,-2.2 1,-0.3 -1,-0.2 0.632 102.2 60.6 -76.0 -9.6 -5.1 46.0 20.3 37 38 A N T << S+ 0 0 84 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.372 77.8 118.2 -93.9 -0.0 -8.2 43.7 20.3 38 39 A R S X> S- 0 0 90 -3,-1.3 4,-3.2 -4,-0.2 3,-2.3 -0.465 75.0-124.4 -66.2 141.7 -10.4 46.7 21.2 39 40 A D T 34 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.749 112.4 52.8 -60.0 -25.1 -13.0 47.5 18.5 40 41 A D T 34 S+ 0 0 102 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.310 120.0 32.5 -92.5 6.1 -11.7 51.0 18.2 41 42 A V T <4 S+ 0 0 31 -3,-2.3 -2,-0.2 -5,-0.1 -5,-0.1 0.588 78.2 176.0-121.6 -55.0 -8.1 49.8 17.7 42 43 A A < + 0 0 69 -4,-3.2 2,-0.4 -7,-0.2 -5,-0.2 0.847 20.2 143.2 47.6 58.0 -8.6 46.6 15.8 43 44 A L >> + 0 0 12 -7,-2.2 4,-2.2 1,-0.1 3,-1.2 -0.695 21.0 178.2-124.2 77.8 -5.0 45.4 15.0 44 45 A S H 3> S+ 0 0 63 -2,-0.4 4,-2.1 1,-0.3 -1,-0.1 0.732 76.9 50.9 -51.6 -38.0 -5.3 41.7 15.5 45 46 A N H 3> S+ 0 0 29 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.755 108.1 51.4 -77.4 -23.3 -1.8 40.9 14.5 46 47 A F H <> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 5,-0.3 0.931 111.6 49.6 -73.1 -44.1 -0.3 43.4 17.0 47 48 A A H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.935 110.8 48.9 -56.2 -50.2 -2.5 41.8 19.6 48 49 A K H X S+ 0 0 111 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.892 109.7 52.7 -56.9 -44.4 -1.3 38.3 18.7 49 50 A F H X S+ 0 0 13 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.928 112.9 42.6 -59.5 -49.2 2.4 39.5 18.8 50 51 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.828 109.1 59.8 -70.4 -27.7 2.1 40.9 22.3 51 52 A R H X S+ 0 0 103 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.921 107.6 44.7 -67.6 -40.7 0.1 37.8 23.4 52 53 A E H X S+ 0 0 102 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.868 110.4 54.1 -71.7 -33.7 2.9 35.5 22.6 53 54 A R H X S+ 0 0 10 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.924 109.1 51.1 -61.8 -42.3 5.5 37.8 24.2 54 55 A S H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.943 110.4 46.6 -58.9 -52.6 3.3 37.6 27.3 55 56 A E H X S+ 0 0 96 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.862 110.7 54.1 -59.9 -36.9 3.2 33.8 27.3 56 57 A E H X S+ 0 0 75 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.902 109.1 46.7 -65.8 -41.2 7.0 33.7 26.7 57 58 A E H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.880 112.0 51.7 -67.4 -38.0 7.7 35.9 29.8 58 59 A K H X S+ 0 0 61 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.921 108.5 51.6 -62.6 -45.0 5.3 33.8 31.9 59 60 A E H X S+ 0 0 71 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.889 109.4 49.8 -59.3 -42.4 7.1 30.7 30.7 60 61 A H H X S+ 0 0 8 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.918 108.0 53.6 -62.7 -45.4 10.5 32.2 31.8 61 62 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.919 110.0 48.1 -55.1 -45.3 9.1 33.1 35.2 62 63 A E H X S+ 0 0 87 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.845 109.4 51.3 -67.0 -36.0 8.0 29.5 35.7 63 64 A K H X S+ 0 0 78 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.813 107.9 53.1 -72.1 -29.7 11.3 28.0 34.6 64 65 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.877 107.3 51.9 -70.8 -35.8 13.1 30.3 37.1 65 66 A I H X S+ 0 0 37 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.918 110.6 48.9 -64.7 -40.9 10.8 29.1 39.9 66 67 A E H X S+ 0 0 123 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.889 108.9 52.3 -65.6 -39.8 11.8 25.5 38.8 67 68 A Y H X S+ 0 0 4 -4,-2.1 4,-1.7 2,-0.2 6,-0.2 0.911 105.2 56.1 -62.0 -41.5 15.5 26.4 38.9 68 69 A Q H <>S+ 0 0 1 -4,-2.3 5,-2.9 1,-0.2 4,-0.5 0.930 111.0 43.8 -54.7 -49.4 15.1 27.8 42.4 69 70 A N H ><5S+ 0 0 90 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.851 108.7 57.1 -65.3 -39.8 13.7 24.4 43.6 70 71 A Q H 3<5S+ 0 0 121 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.810 109.3 46.0 -62.6 -32.1 16.3 22.4 41.7 71 72 A R T 3<5S- 0 0 22 -4,-1.7 -66,-0.5 -3,-0.3 -1,-0.2 0.511 120.1-108.5 -88.6 -7.7 19.1 24.2 43.6 72 73 A G T < 5S+ 0 0 2 -3,-0.8 -3,-0.2 -4,-0.5 -68,-0.2 0.719 73.3 137.8 87.7 19.2 17.4 23.9 46.9 73 74 A G < - 0 0 0 -5,-2.9 2,-0.5 -6,-0.2 -1,-0.3 -0.451 54.0-113.2 -88.3 171.8 16.4 27.5 47.2 74 75 A R - 0 0 123 -2,-0.2 2,-0.3 -3,-0.1 -58,-0.1 -0.933 20.8-130.6-116.2 127.4 13.0 28.6 48.5 75 76 A V - 0 0 44 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.558 22.8-178.4 -76.1 131.3 10.4 30.4 46.4 76 77 A F - 0 0 142 -2,-0.3 2,-0.3 -63,-0.1 -2,-0.0 -0.983 13.1-155.0-131.9 114.2 8.8 33.5 47.7 77 78 A L - 0 0 118 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.717 6.7-161.7 -94.3 143.0 6.2 35.1 45.5 78 79 A Q - 0 0 113 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.769 35.2 -80.8-116.6 165.7 5.3 38.8 45.7 79 80 A S - 0 0 116 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.319 44.6-123.0 -64.8 145.6 2.3 40.7 44.4 80 81 A V - 0 0 60 -57,-0.1 2,-0.1 -3,-0.0 -1,-0.1 -0.864 23.8-133.9 -97.8 112.6 2.4 41.5 40.7 81 82 A E - 0 0 126 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.393 24.0-111.8 -65.6 140.2 2.1 45.2 40.0 82 83 A K - 0 0 102 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.179 44.5 -80.5 -68.3 160.2 -0.4 46.2 37.3 83 84 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.246 36.0-118.3 -61.1 156.4 0.9 47.8 34.1 84 85 A E S S+ 0 0 132 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.698 94.9 27.7 -68.8 -22.4 1.8 51.5 34.1 85 86 A R - 0 0 75 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.943 49.6-163.8-139.0 159.6 -0.9 52.2 31.5 86 87 A D S S+ 0 0 120 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.567 88.3 54.0-111.5 -24.4 -4.3 50.8 30.3 87 88 A D - 0 0 74 1,-0.1 -1,-0.2 -52,-0.0 3,-0.1 -0.959 65.2-166.7-113.7 126.8 -4.3 52.7 27.0 88 89 A W - 0 0 2 -2,-0.5 2,-2.4 1,-0.1 6,-0.2 0.190 24.8-139.0-103.2 18.8 -1.2 52.2 24.8 89 90 A A - 0 0 37 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.356 61.8 -24.9 64.7 -70.9 -1.8 55.0 22.3 90 91 A N S > S- 0 0 43 -2,-2.4 4,-2.5 -3,-0.1 5,-0.2 -0.962 70.1 -82.9-161.8 175.8 -0.8 53.2 19.1 91 92 A G H > S+ 0 0 0 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.812 122.7 47.8 -58.1 -38.0 1.2 50.5 17.5 92 93 A L H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.925 113.1 46.6 -71.9 -43.1 4.4 52.5 17.4 93 94 A E H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.892 112.4 51.7 -65.9 -38.3 4.2 53.7 21.0 94 95 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -6,-0.2 -1,-0.2 0.924 110.9 48.0 -63.3 -44.3 3.4 50.1 22.1 95 96 A L H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.893 112.0 48.9 -62.8 -44.0 6.5 48.8 20.2 96 97 A Q H X S+ 0 0 67 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.854 109.8 51.7 -66.1 -36.7 8.8 51.5 21.7 97 98 A T H X S+ 0 0 32 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.919 108.1 52.8 -65.4 -42.1 7.5 50.8 25.2 98 99 A A H X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.862 105.2 54.4 -61.3 -38.4 8.2 47.1 24.7 99 100 A L H X S+ 0 0 40 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.928 110.7 45.9 -62.5 -44.2 11.8 47.8 23.6 100 101 A K H X S+ 0 0 152 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.909 112.7 50.6 -63.4 -44.3 12.4 49.8 26.9 101 102 A L H X S+ 0 0 22 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.962 110.7 49.1 -59.2 -48.3 10.7 47.0 28.8 102 103 A Q H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.853 109.6 51.7 -60.5 -36.4 13.0 44.4 27.1 103 104 A K H X S+ 0 0 112 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.899 110.2 48.6 -68.6 -38.7 16.1 46.5 27.9 104 105 A S H X S+ 0 0 63 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.885 113.2 46.7 -70.0 -35.7 15.2 46.7 31.6 105 106 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.899 111.3 52.2 -71.5 -38.2 14.6 43.0 31.8 106 107 A N H X S+ 0 0 29 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.924 109.0 50.7 -61.8 -43.1 17.8 42.3 30.0 107 108 A Q H X S+ 0 0 101 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.896 108.1 52.1 -61.3 -42.2 19.7 44.5 32.4 108 109 A A H X S+ 0 0 22 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.900 109.8 48.9 -62.6 -39.1 18.1 42.7 35.4 109 110 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.842 111.0 50.9 -69.1 -33.0 19.3 39.4 33.9 110 111 A L H X S+ 0 0 72 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.912 110.2 48.8 -69.6 -43.1 22.8 40.8 33.4 111 112 A D H X S+ 0 0 91 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.917 111.7 49.0 -62.8 -43.1 22.9 42.0 37.0 112 113 A L H X S+ 0 0 7 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.919 110.6 51.5 -63.0 -41.7 21.8 38.6 38.3 113 114 A H H X S+ 0 0 37 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.908 106.4 54.1 -59.9 -43.9 24.4 37.0 36.1 114 115 A A H X S+ 0 0 58 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.859 108.0 50.3 -60.1 -36.7 27.1 39.3 37.6 115 116 A V H X S+ 0 0 46 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.934 110.1 49.3 -67.7 -44.2 26.1 38.2 41.1 116 117 A A H <>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.2 -2,-0.2 0.868 112.9 47.7 -61.5 -38.7 26.3 34.5 40.1 117 118 A A H ><5S+ 0 0 52 -4,-2.4 3,-1.4 3,-0.2 -1,-0.2 0.899 110.1 52.3 -68.7 -41.6 29.7 35.0 38.6 118 119 A D H 3<5S+ 0 0 120 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.860 111.3 46.9 -63.5 -35.5 30.9 37.0 41.6 119 120 A K T 3<5S- 0 0 61 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.314 115.8-117.5 -88.5 6.9 29.8 34.1 43.9 120 121 A S T < 5 + 0 0 85 -3,-1.4 -3,-0.2 1,-0.2 3,-0.1 0.935 59.5 152.8 56.8 53.2 31.5 31.5 41.6 121 122 A D >< + 0 0 4 -5,-2.7 4,-1.9 1,-0.1 -1,-0.2 -0.833 15.8 173.8-114.2 90.6 28.4 29.7 40.6 122 123 A P H > S+ 0 0 91 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.760 76.9 59.9 -69.0 -23.5 29.1 28.2 37.1 123 124 A H H > S+ 0 0 88 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.930 109.2 42.6 -69.0 -43.0 25.8 26.3 37.1 124 125 A M H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.885 112.4 51.1 -71.3 -41.8 23.7 29.5 37.4 125 126 A T H X S+ 0 0 21 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.931 112.8 47.9 -61.5 -43.0 25.8 31.6 34.9 126 127 A D H X S+ 0 0 107 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.924 111.7 50.2 -60.9 -45.3 25.4 28.8 32.4 127 128 A F H <>S+ 0 0 41 -4,-2.0 5,-0.6 1,-0.2 -1,-0.2 0.858 112.5 46.5 -61.1 -41.1 21.6 28.6 33.1 128 129 A L H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 -1,-0.2 0.816 104.9 61.7 -73.1 -31.8 21.2 32.3 32.7 129 130 A E H <>S+ 0 0 85 -4,-2.0 5,-1.3 1,-0.2 -2,-0.2 0.904 98.6 64.6 -63.5 -43.3 23.2 32.5 29.4 130 131 A S T <5S- 0 0 79 -4,-1.4 -1,-0.2 1,-0.2 0, 0.0 -0.994 119.6 -10.4-136.2 130.0 20.9 30.2 27.5 131 132 A P T >5S+ 0 0 58 0, 0.0 4,-3.1 0, 0.0 5,-0.3 -0.994 130.6 56.1 -96.5 4.4 18.2 30.7 26.7 132 133 A Y H >X S+ 0 0 62 -4,-1.7 4,-1.6 1,-0.2 3,-0.8 0.833 108.3 62.9 -65.2 -34.1 5.6 54.0 7.1 154 155 A W H 3< S+ 0 0 61 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.841 92.2 62.6 -60.8 -39.7 4.5 56.4 9.8 155 156 A S H 3< S+ 0 0 102 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.807 111.6 38.9 -58.6 -31.1 6.2 59.4 8.2 156 157 A S H << S- 0 0 85 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.1 0.952 139.8 -20.0 -81.6 -74.5 3.9 59.0 5.2 157 158 A H X - 0 0 116 -4,-1.6 4,-2.3 1,-0.1 -1,-0.2 -0.903 49.9-163.6-142.2 110.1 0.5 58.0 6.7 158 159 A P H > S+ 0 0 56 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.854 93.3 57.0 -61.6 -33.9 0.2 56.6 10.3 159 160 A G H > S+ 0 0 54 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.953 114.4 37.4 -60.6 -48.4 -3.3 55.3 9.6 160 161 A M H > S+ 0 0 113 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.796 110.1 66.9 -71.6 -29.9 -2.1 53.3 6.7 161 162 A A H X S+ 0 0 2 -4,-2.3 4,-2.5 -8,-0.2 5,-0.3 0.946 103.1 41.3 -57.2 -56.7 1.1 52.4 8.5 162 163 A E H X S+ 0 0 37 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.881 115.0 51.9 -61.3 -42.5 -0.5 50.3 11.2 163 164 A Y H X S+ 0 0 159 -4,-1.2 4,-1.5 -5,-0.2 -2,-0.2 0.944 114.5 41.5 -60.3 -49.7 -2.8 48.6 8.8 164 165 A L H X S+ 0 0 58 -4,-2.7 4,-3.4 2,-0.2 5,-0.4 0.908 116.3 47.9 -65.8 -44.3 0.0 47.6 6.4 165 166 A F H X>S+ 0 0 2 -4,-2.5 5,-2.4 -5,-0.3 4,-2.3 0.900 109.0 54.2 -63.5 -43.1 2.5 46.6 9.1 166 167 A N H <5S+ 0 0 17 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.882 118.4 36.8 -57.3 -39.1 -0.2 44.5 11.0 167 168 A K H <5S+ 0 0 131 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.928 126.9 30.9 -80.8 -51.3 -0.8 42.7 7.7 168 169 A H H <5S+ 0 0 131 -4,-3.4 -3,-0.2 3,-0.2 -2,-0.2 0.708 131.2 23.8 -86.6 -27.5 2.7 42.3 6.2 169 170 A T T <5S+ 0 0 60 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.808 130.4 35.1-103.8 -49.4 5.0 42.2 9.1 170 171 A L < 0 0 25 -5,-2.4 -4,-0.2 1,-0.2 -3,-0.2 0.522 360.0 360.0 -84.0 -6.2 3.0 40.9 12.0 171 172 A G 0 0 86 -6,-0.4 -1,-0.2 -4,-0.1 -3,-0.2 0.581 360.0 360.0-117.5 360.0 0.9 38.6 9.8