==== 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 1RCD . 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) . 9255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 78.9 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 . 9 5.3 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 1 0 0 0 0 3 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 79 0, 0.0 3,-0.5 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 133.3 21.8 -18.0 52.1 2 3 A Q T 3 + 0 0 201 1,-0.2 70,-0.0 3,-0.0 0, 0.0 0.666 360.0 52.1 -65.4 -18.9 18.5 -19.8 51.6 3 4 A V T 3 S+ 0 0 84 69,-0.1 -1,-0.2 2,-0.0 69,-0.1 0.714 82.1 111.9 -91.1 -24.2 19.4 -20.2 48.0 4 5 A R < + 0 0 82 -3,-0.5 2,-0.3 68,-0.2 68,-0.1 -0.266 34.0 155.6 -61.8 129.1 22.8 -21.7 48.3 5 6 A Q - 0 0 158 66,-0.5 3,-0.1 -2,-0.1 -3,-0.0 -0.910 66.9 -8.3-158.0 126.5 23.2 -25.3 47.3 6 7 A N S S+ 0 0 95 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.850 90.2 136.2 55.5 37.1 26.3 -27.3 46.1 7 8 A F - 0 0 12 64,-0.1 -1,-0.2 65,-0.0 2,-0.2 -0.929 43.9-149.7-119.1 103.4 28.2 -24.0 46.1 8 9 A H >> - 0 0 73 -2,-0.6 4,-2.0 1,-0.1 3,-0.9 -0.454 19.2-124.2 -75.8 144.9 31.7 -24.5 47.6 9 10 A Q H 3> S+ 0 0 138 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.823 111.4 56.1 -54.1 -38.7 33.5 -21.7 49.4 10 11 A D H 3> S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.814 107.8 48.2 -65.7 -33.2 36.6 -22.1 47.1 11 12 A C H <> S+ 0 0 0 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.870 111.0 50.8 -74.1 -38.9 34.4 -21.5 44.0 12 13 A E H X S+ 0 0 31 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.935 114.4 44.1 -61.6 -45.9 32.8 -18.5 45.7 13 14 A A H X S+ 0 0 56 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.896 111.6 52.0 -67.4 -42.3 36.3 -17.1 46.4 14 15 A G H X S+ 0 0 13 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.874 107.4 54.6 -62.1 -37.3 37.7 -17.9 43.0 15 16 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.951 108.1 47.5 -62.0 -48.2 34.7 -16.1 41.5 16 17 A N H X S+ 0 0 23 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.886 112.3 50.3 -62.0 -36.6 35.5 -12.9 43.4 17 18 A R H X S+ 0 0 109 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.913 109.4 52.1 -68.3 -39.0 39.1 -13.2 42.4 18 19 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.829 102.9 55.9 -68.9 -33.3 38.2 -13.6 38.8 19 20 A V H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.911 107.9 50.6 -67.2 -33.7 35.9 -10.5 38.6 20 21 A N H X S+ 0 0 44 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.920 109.2 50.6 -65.6 -42.9 38.9 -8.4 39.8 21 22 A L H X S+ 0 0 35 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.913 110.4 50.0 -58.7 -46.1 41.0 -9.9 37.1 22 23 A K H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.861 110.6 48.9 -62.7 -39.5 38.4 -9.1 34.5 23 24 A F H X S+ 0 0 49 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.893 110.6 51.5 -67.4 -38.4 38.1 -5.5 35.7 24 25 A H H X S+ 0 0 27 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.908 109.9 48.6 -64.1 -41.5 41.9 -5.2 35.6 25 26 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.896 109.9 52.1 -63.1 -43.8 42.0 -6.5 32.0 26 27 A S H X S+ 0 0 14 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.926 109.7 50.0 -56.8 -45.8 39.2 -4.0 31.0 27 28 A Y H X S+ 0 0 104 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.875 108.5 52.1 -62.3 -40.3 41.3 -1.2 32.5 28 29 A V H X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.935 110.8 47.6 -63.0 -45.1 44.4 -2.3 30.6 29 30 A Y H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.877 109.1 54.0 -63.7 -38.9 42.4 -2.3 27.3 30 31 A L H X S+ 0 0 62 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.892 107.3 51.4 -61.1 -42.3 41.0 1.2 28.2 31 32 A S H X S+ 0 0 21 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.915 111.3 47.5 -60.1 -45.1 44.6 2.4 28.6 32 33 A M H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.936 110.2 51.8 -62.6 -47.0 45.5 1.0 25.2 33 34 A A H X S+ 0 0 0 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.905 111.1 47.8 -55.1 -46.0 42.5 2.6 23.6 34 35 A S H >< S+ 0 0 60 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.863 107.6 56.6 -63.3 -39.3 43.3 6.0 25.0 35 36 A Y H >< S+ 0 0 19 -4,-2.0 3,-1.4 1,-0.2 7,-0.2 0.904 104.7 51.3 -60.9 -41.8 46.9 5.7 23.9 36 37 A F H 3< S+ 0 0 0 -4,-2.0 7,-2.4 1,-0.3 -1,-0.2 0.638 103.4 59.3 -74.6 -9.7 46.0 5.1 20.3 37 38 A N T << S+ 0 0 86 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.394 78.1 117.7 -94.9 -2.8 43.8 8.2 20.3 38 39 A R S X> S- 0 0 93 -3,-1.4 4,-3.1 -4,-0.2 3,-2.3 -0.427 76.4-122.4 -63.8 142.9 46.7 10.5 21.2 39 40 A D T 34 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.771 113.4 52.4 -60.0 -25.0 47.4 13.0 18.5 40 41 A D T 34 S+ 0 0 99 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.318 119.7 32.7 -93.6 7.9 51.0 11.7 18.2 41 42 A V T <4 S+ 0 0 30 -3,-2.3 -2,-0.2 -5,-0.1 -5,-0.1 0.585 77.9 174.8-122.4 -54.8 49.8 8.1 17.7 42 43 A A < + 0 0 68 -4,-3.1 2,-0.5 -7,-0.2 -5,-0.2 0.830 19.7 142.8 47.6 55.4 46.5 8.6 15.9 43 44 A L >> + 0 0 11 -7,-2.4 4,-2.2 1,-0.1 3,-1.1 -0.708 21.9 179.0-121.7 78.5 45.4 5.0 15.0 44 45 A S H 3> S+ 0 0 67 -2,-0.5 4,-2.2 1,-0.3 -1,-0.1 0.742 76.6 50.9 -51.6 -37.6 41.7 5.3 15.5 45 46 A N H 3> S+ 0 0 37 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.762 108.3 51.4 -77.3 -23.2 40.8 1.7 14.5 46 47 A F H <> S+ 0 0 0 -3,-1.1 4,-2.4 2,-0.2 5,-0.2 0.914 111.8 49.5 -72.5 -43.8 43.4 0.3 17.0 47 48 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.933 110.8 48.9 -57.5 -48.1 41.7 2.5 19.6 48 49 A K H X S+ 0 0 74 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.905 110.3 51.9 -57.3 -47.1 38.2 1.2 18.6 49 50 A F H X S+ 0 0 11 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.919 113.2 42.4 -58.1 -49.1 39.4 -2.4 18.8 50 51 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.831 110.4 57.3 -71.0 -28.7 40.8 -2.0 22.3 51 52 A R H X S+ 0 0 99 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.909 108.2 47.8 -65.8 -42.5 37.8 -0.0 23.4 52 53 A E H X S+ 0 0 105 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.917 110.3 50.7 -64.7 -42.9 35.6 -2.9 22.3 53 54 A R H X S+ 0 0 17 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.904 109.0 53.7 -60.5 -42.1 37.8 -5.4 24.2 54 55 A S H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.931 109.4 46.3 -57.5 -51.6 37.6 -3.2 27.3 55 56 A E H X S+ 0 0 97 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.874 111.0 53.5 -61.2 -37.5 33.8 -3.2 27.2 56 57 A E H X S+ 0 0 62 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.906 109.5 47.1 -64.0 -43.7 33.7 -7.0 26.7 57 58 A E H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.887 111.6 52.5 -64.7 -39.4 35.9 -7.7 29.7 58 59 A K H X S+ 0 0 63 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.923 108.7 48.9 -62.9 -46.0 33.8 -5.3 31.8 59 60 A E H X S+ 0 0 72 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.857 109.0 53.4 -64.9 -32.8 30.6 -7.1 30.8 60 61 A H H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.936 107.1 52.0 -64.9 -44.7 32.1 -10.4 31.7 61 62 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.905 110.4 48.6 -57.1 -43.4 33.1 -9.1 35.1 62 63 A E H X S+ 0 0 103 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.848 109.1 52.0 -67.8 -34.3 29.5 -8.0 35.7 63 64 A K H X S+ 0 0 61 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.844 107.8 52.3 -70.9 -33.1 28.1 -11.3 34.6 64 65 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.875 108.7 50.4 -68.3 -37.9 30.3 -13.1 37.1 65 66 A I H X S+ 0 0 38 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.923 110.8 49.6 -63.5 -43.3 29.1 -10.8 39.9 66 67 A E H X S+ 0 0 139 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.880 109.2 51.7 -63.1 -38.2 25.5 -11.7 38.8 67 68 A Y H X S+ 0 0 4 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.882 105.4 55.8 -66.2 -39.8 26.4 -15.4 38.8 68 69 A Q H X>S+ 0 0 1 -4,-2.1 5,-2.7 1,-0.2 4,-0.5 0.935 110.0 45.6 -57.0 -48.3 27.8 -15.0 42.4 69 70 A N H ><5S+ 0 0 93 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.867 108.1 57.2 -64.0 -38.4 24.4 -13.6 43.5 70 71 A Q H 3<5S+ 0 0 121 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.856 108.6 45.9 -62.2 -36.5 22.5 -16.3 41.7 71 72 A R H 3<5S- 0 0 23 -4,-1.8 -66,-0.5 -3,-0.2 -1,-0.2 0.495 119.6-106.1 -86.0 -5.4 24.2 -19.1 43.6 72 73 A G T <<5S+ 0 0 2 -3,-0.8 -3,-0.2 -4,-0.5 -68,-0.2 0.691 75.4 137.3 88.3 15.4 23.9 -17.4 47.0 73 74 A G < - 0 0 0 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.3 -0.439 53.5-117.4 -85.9 170.5 27.5 -16.4 47.2 74 75 A R - 0 0 122 -2,-0.1 2,-0.2 -3,-0.1 -58,-0.1 -0.948 19.8-129.5-119.1 127.3 28.5 -13.0 48.4 75 76 A V - 0 0 44 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.521 21.9-175.9 -74.4 134.9 30.4 -10.5 46.2 76 77 A F - 0 0 148 -2,-0.2 2,-0.3 -63,-0.1 -2,-0.0 -0.971 11.9-155.4-133.6 113.2 33.5 -8.8 47.6 77 78 A L - 0 0 117 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.733 8.2-164.7 -93.6 140.2 35.1 -6.2 45.4 78 79 A Q - 0 0 145 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.750 35.4 -77.9-117.3 166.1 38.7 -5.3 45.7 79 80 A S - 0 0 96 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.306 43.8-125.2 -63.1 146.4 40.7 -2.3 44.4 80 81 A V - 0 0 59 -57,-0.1 -1,-0.1 -3,-0.0 2,-0.1 -0.878 22.3-134.5 -99.6 112.7 41.5 -2.4 40.7 81 82 A E - 0 0 125 -2,-0.7 -54,-0.1 1,-0.1 3,-0.1 -0.374 24.4-113.1 -64.8 139.9 45.2 -2.1 40.0 82 83 A K - 0 0 102 1,-0.2 -1,-0.1 -2,-0.1 -54,-0.1 -0.260 45.3 -79.0 -69.2 160.6 46.2 0.4 37.3 83 84 A P - 0 0 9 0, 0.0 -1,-0.2 0, 0.0 -58,-0.0 -0.215 36.7-116.8 -60.2 158.2 47.7 -0.9 34.0 84 85 A E S S+ 0 0 129 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.734 95.8 26.6 -68.4 -25.4 51.4 -1.8 34.0 85 86 A R - 0 0 72 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.926 49.4-162.7-136.8 160.3 52.2 0.9 31.4 86 87 A D S S+ 0 0 118 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.533 88.9 55.3-112.4 -18.7 50.7 4.3 30.3 87 88 A D - 0 0 72 1,-0.1 -1,-0.2 -52,-0.0 -55,-0.1 -0.968 63.6-168.6-117.9 127.2 52.6 4.2 27.0 88 89 A W - 0 0 3 -2,-0.5 2,-2.5 1,-0.1 6,-0.2 0.173 25.2-139.7-104.5 18.5 52.1 1.2 24.7 89 90 A A - 0 0 38 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.322 61.8 -24.8 63.3 -69.3 54.9 1.9 22.2 90 91 A N S > S- 0 0 43 -2,-2.5 4,-2.3 -3,-0.1 5,-0.2 -0.968 71.1 -81.8-163.2 175.2 53.2 0.8 19.0 91 92 A G H > S+ 0 0 0 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.821 122.9 47.9 -56.0 -39.9 50.5 -1.2 17.4 92 93 A L H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 112.0 47.8 -70.0 -45.0 52.5 -4.5 17.4 93 94 A E H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.884 112.1 51.3 -63.6 -38.1 53.7 -4.2 21.0 94 95 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -6,-0.2 -1,-0.2 0.919 110.3 48.5 -65.0 -44.6 50.1 -3.5 22.1 95 96 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.898 111.8 49.4 -61.3 -44.6 48.8 -6.6 20.2 96 97 A Q H X S+ 0 0 65 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.881 110.5 50.5 -64.5 -37.0 51.5 -8.8 21.7 97 98 A T H X S+ 0 0 26 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.917 109.0 51.9 -67.2 -41.1 50.7 -7.5 25.2 98 99 A A H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.900 107.2 52.3 -62.2 -41.0 47.0 -8.2 24.6 99 100 A L H X S+ 0 0 37 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.918 111.3 47.2 -61.3 -43.8 47.7 -11.8 23.6 100 101 A K H X S+ 0 0 135 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.900 113.3 49.0 -63.6 -40.7 49.7 -12.3 26.8 101 102 A L H X S+ 0 0 23 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.947 110.3 50.5 -64.4 -47.3 46.9 -10.7 28.8 102 103 A Q H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.862 109.3 51.1 -60.2 -37.2 44.3 -12.9 27.1 103 104 A K H X S+ 0 0 122 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.862 109.2 50.0 -71.6 -31.1 46.3 -16.1 27.8 104 105 A S H X S+ 0 0 59 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.876 112.6 46.8 -73.8 -35.4 46.7 -15.2 31.5 105 106 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.895 111.1 52.9 -71.3 -38.1 42.9 -14.6 31.8 106 107 A N H X S+ 0 0 28 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.936 108.1 50.5 -61.9 -44.8 42.3 -17.8 30.0 107 108 A Q H X S+ 0 0 97 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.883 108.6 52.3 -60.2 -40.5 44.5 -19.7 32.4 108 109 A A H X S+ 0 0 12 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.908 110.1 48.0 -62.7 -41.7 42.6 -18.1 35.3 109 110 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.877 111.7 50.3 -66.8 -37.2 39.3 -19.3 33.9 110 111 A L H X S+ 0 0 73 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.904 110.7 49.3 -66.9 -40.2 40.7 -22.8 33.3 111 112 A D H X S+ 0 0 88 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.905 112.0 48.1 -65.4 -41.3 42.0 -22.9 36.9 112 113 A L H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.922 110.2 52.3 -64.9 -42.6 38.5 -21.8 38.2 113 114 A H H X S+ 0 0 38 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.890 107.0 53.1 -59.3 -41.3 36.9 -24.4 36.0 114 115 A A H X S+ 0 0 54 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.851 107.7 50.9 -63.5 -36.3 39.2 -27.0 37.5 115 116 A V H X S+ 0 0 47 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.940 111.0 48.2 -66.0 -45.1 38.1 -26.0 41.1 116 117 A A H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 -2,-0.2 0.881 112.8 48.5 -61.5 -39.8 34.4 -26.3 40.1 117 118 A A H ><5S+ 0 0 52 -4,-2.3 3,-1.5 3,-0.2 -1,-0.2 0.919 110.0 51.6 -66.4 -43.8 35.0 -29.7 38.5 118 119 A D H 3<5S+ 0 0 121 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.864 111.9 46.8 -61.5 -37.8 36.9 -30.9 41.6 119 120 A K T 3<5S- 0 0 64 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.357 115.1-118.4 -86.4 4.4 34.0 -29.8 43.8 120 121 A S T < 5 + 0 0 86 -3,-1.5 -3,-0.2 1,-0.2 3,-0.1 0.947 59.3 151.6 57.9 54.0 31.5 -31.5 41.5 121 122 A D >< + 0 0 3 -5,-2.5 4,-1.9 1,-0.1 -1,-0.2 -0.833 15.9 173.6-116.3 89.0 29.6 -28.3 40.6 122 123 A P H > S+ 0 0 92 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.752 76.7 61.1 -67.9 -24.7 28.2 -29.0 37.1 123 124 A H H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.935 109.1 42.4 -66.7 -43.0 26.3 -25.8 37.0 124 125 A M H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.881 112.1 51.0 -72.1 -40.0 29.4 -23.7 37.4 125 126 A T H X S+ 0 0 21 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.923 112.8 48.7 -63.3 -40.3 31.6 -25.7 34.9 126 127 A D H X S+ 0 0 105 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.932 110.7 50.3 -62.1 -46.2 28.8 -25.3 32.4 127 128 A F H <>S+ 0 0 39 -4,-2.1 5,-0.6 1,-0.2 -1,-0.2 0.866 112.2 47.5 -58.9 -41.9 28.5 -21.6 33.1 128 129 A L H <>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 -1,-0.2 0.816 104.8 60.2 -71.2 -33.4 32.3 -21.1 32.6 129 130 A E H <>S+ 0 0 84 -4,-1.9 5,-1.5 1,-0.3 -2,-0.2 0.918 98.9 65.7 -63.7 -45.1 32.4 -23.1 29.4 130 131 A S T <5S- 0 0 84 -4,-1.5 -1,-0.3 1,-0.2 0, 0.0 -0.983 120.0 -11.5-133.8 128.2 30.1 -20.8 27.5 131 132 A P T >5S+ 0 0 57 0, 0.0 4,-3.0 0, 0.0 5,-0.3 -0.997 131.0 55.4 -96.4 1.0 30.6 -18.1 26.8 132 133 A Y H >X S+ 0 0 62 -4,-1.7 4,-1.6 1,-0.2 3,-1.6 0.858 106.1 65.6 -70.2 -37.8 53.9 -5.7 7.1 154 155 A W H 3< S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.841 90.8 64.0 -53.5 -41.4 56.4 -4.6 9.8 155 156 A S T 3< S+ 0 0 101 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.719 109.1 40.7 -58.8 -23.5 59.3 -6.1 8.0 156 157 A S T <4 S- 0 0 81 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.933 138.4 -24.3 -87.3 -65.9 58.8 -3.7 5.2 157 158 A H X - 0 0 115 -4,-1.6 4,-2.7 1,-0.1 -1,-0.2 -0.887 46.8-156.2-154.2 119.4 58.0 -0.4 7.0 158 159 A P H > S+ 0 0 56 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.848 97.3 54.2 -64.0 -37.7 56.5 -0.1 10.5 159 160 A G H > S+ 0 0 54 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.971 116.1 36.9 -61.5 -52.2 55.0 3.4 9.8 160 161 A M H > S+ 0 0 103 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.860 112.4 62.4 -68.3 -34.1 53.2 2.1 6.7 161 162 A A H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.938 106.9 41.6 -56.1 -54.0 52.4 -1.2 8.5 162 163 A E H X S+ 0 0 37 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.884 115.2 51.2 -62.8 -42.1 50.4 0.4 11.2 163 164 A Y H X S+ 0 0 156 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.941 114.9 41.2 -61.2 -50.6 48.6 2.8 8.8 164 165 A L H X S+ 0 0 55 -4,-2.9 4,-3.3 2,-0.2 5,-0.3 0.894 116.4 48.5 -66.2 -40.9 47.6 0.0 6.4 165 166 A F H X>S+ 0 0 3 -4,-2.5 4,-2.2 -5,-0.3 5,-2.2 0.914 108.5 54.7 -65.9 -43.2 46.6 -2.5 9.1 166 167 A N H <5S+ 0 0 17 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.880 118.2 36.7 -56.4 -39.1 44.6 0.2 11.0 167 168 A K H <5S+ 0 0 126 -4,-1.5 4,-0.3 -5,-0.2 -2,-0.2 0.938 126.4 31.5 -81.1 -51.1 42.7 0.8 7.7 168 169 A H H <5S+ 0 0 139 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.756 129.7 25.3 -85.3 -30.8 42.3 -2.7 6.2 169 170 A T T <5S+ 0 0 61 -4,-2.2 -3,-0.2 -5,-0.3 -4,-0.1 0.837 132.7 31.7 -99.1 -47.2 42.2 -5.1 9.1 170 171 A L < 0 0 9 -5,-2.2 -3,-0.2 0, 0.0 -4,-0.2 0.550 360.0 360.0 -87.8 -9.1 40.8 -3.0 11.9 171 172 A G 0 0 95 -6,-0.4 -4,-0.1 -4,-0.3 -3,-0.1 -0.169 360.0 360.0 -97.4 360.0 38.7 -0.8 9.7