==== 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 1RCE . 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) . 9290.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 80.1 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 . 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 . 117 68.4 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 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 83 0, 0.0 3,-0.6 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 125.0 21.7 -18.1 52.3 2 3 A Q T 3 + 0 0 202 1,-0.2 70,-0.0 3,-0.0 0, 0.0 0.622 360.0 51.2 -61.6 -13.9 18.4 -20.0 51.8 3 4 A V T 3 S+ 0 0 83 69,-0.1 -1,-0.2 2,-0.0 69,-0.1 0.750 81.1 109.8 -96.6 -29.3 19.4 -20.3 48.2 4 5 A R < + 0 0 71 -3,-0.6 2,-0.3 68,-0.2 68,-0.1 -0.207 37.1 159.8 -56.8 131.7 22.9 -21.7 48.5 5 6 A Q - 0 0 154 66,-0.5 3,-0.1 3,-0.0 -3,-0.0 -0.886 64.2 -10.6-158.8 123.6 23.3 -25.3 47.4 6 7 A N S S+ 0 0 98 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.879 90.8 137.3 57.7 37.9 26.4 -27.4 46.3 7 8 A F - 0 0 13 64,-0.1 -1,-0.2 65,-0.0 2,-0.1 -0.932 42.9-148.3-121.3 106.5 28.4 -24.2 46.2 8 9 A H >> - 0 0 75 -2,-0.6 4,-2.1 1,-0.1 3,-0.7 -0.416 19.6-123.2 -76.8 148.6 31.9 -24.5 47.7 9 10 A Q H 3> S+ 0 0 129 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.803 112.1 54.5 -54.0 -39.9 33.9 -21.7 49.5 10 11 A D H 3> S+ 0 0 70 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.811 108.0 47.7 -67.3 -34.4 36.7 -22.1 47.0 11 12 A C H <> S+ 0 0 0 -3,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.858 113.3 49.1 -75.4 -34.1 34.5 -21.6 44.0 12 13 A E H X S+ 0 0 21 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.967 115.8 43.3 -67.4 -48.4 33.0 -18.5 45.7 13 14 A A H X S+ 0 0 33 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.909 112.9 51.2 -63.6 -43.8 36.5 -17.2 46.5 14 15 A G H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.842 105.9 57.0 -63.9 -31.8 37.8 -18.0 43.1 15 16 A L H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.941 106.8 48.1 -65.7 -43.9 34.9 -16.2 41.5 16 17 A N H X S+ 0 0 13 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.846 110.6 50.5 -66.1 -35.8 35.7 -13.0 43.4 17 18 A R H X S+ 0 0 151 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.912 109.7 52.8 -67.5 -40.4 39.4 -13.1 42.4 18 19 A T H X S+ 0 0 8 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.814 104.4 53.4 -67.0 -30.9 38.4 -13.7 38.8 19 20 A V H X S+ 0 0 3 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.929 108.9 49.9 -71.2 -39.3 36.1 -10.6 38.6 20 21 A N H X S+ 0 0 32 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.889 110.2 51.5 -61.7 -38.0 39.0 -8.4 39.9 21 22 A L H X S+ 0 0 57 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.904 110.0 48.7 -63.9 -43.5 41.2 -9.9 37.2 22 23 A K H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.909 110.6 50.7 -64.0 -43.3 38.5 -9.1 34.5 23 24 A F H X S+ 0 0 53 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.896 109.9 51.3 -61.7 -38.5 38.2 -5.5 35.8 24 25 A H H X S+ 0 0 22 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.915 109.2 48.1 -66.8 -43.0 42.0 -5.2 35.6 25 26 A S H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.895 109.7 53.9 -65.2 -37.3 42.2 -6.4 32.0 26 27 A S H X S+ 0 0 13 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.937 109.7 48.3 -59.1 -45.1 39.4 -4.0 31.1 27 28 A Y H X S+ 0 0 105 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.861 108.8 53.4 -63.1 -40.8 41.4 -1.2 32.6 28 29 A V H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.948 111.0 46.3 -60.3 -47.9 44.6 -2.2 30.8 29 30 A Y H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.813 108.0 55.6 -65.4 -34.0 42.6 -2.1 27.5 30 31 A L H X S+ 0 0 74 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.924 107.5 51.9 -63.4 -42.4 41.1 1.2 28.3 31 32 A S H X S+ 0 0 22 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.938 110.7 45.9 -58.5 -50.1 44.6 2.5 28.7 32 33 A M H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.940 111.2 53.4 -60.6 -44.3 45.7 1.1 25.3 33 34 A A H X S+ 0 0 5 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.899 110.5 46.7 -56.7 -44.5 42.6 2.6 23.6 34 35 A S H >< S+ 0 0 72 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.884 108.2 56.9 -65.7 -38.1 43.4 6.0 25.1 35 36 A Y H >< S+ 0 0 20 -4,-2.2 3,-1.4 1,-0.3 7,-0.3 0.893 104.0 51.9 -61.7 -41.1 47.0 5.7 24.0 36 37 A F H 3< S+ 0 0 0 -4,-2.1 7,-2.4 1,-0.3 -1,-0.3 0.644 102.5 60.4 -74.1 -10.2 46.1 5.2 20.4 37 38 A N T << S+ 0 0 110 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.330 77.4 118.5 -96.0 4.9 43.9 8.3 20.3 38 39 A R S X> S- 0 0 93 -3,-1.4 4,-2.7 1,-0.1 3,-2.1 -0.474 75.9-123.1 -68.8 144.1 46.8 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 0.764 113.1 54.0 -61.8 -23.9 47.5 13.1 18.5 40 41 A D T 34 S+ 0 0 98 1,-0.1 -1,-0.3 0, 0.0 -3,-0.1 0.360 119.7 30.6 -92.0 5.0 51.0 11.7 18.3 41 42 A V T <4 S+ 0 0 31 -3,-2.1 -2,-0.2 -6,-0.1 -5,-0.1 0.585 77.3 176.3-121.0 -59.6 49.9 8.1 17.7 42 43 A A < + 0 0 65 -4,-2.7 2,-0.3 -7,-0.3 -5,-0.2 0.923 20.8 143.2 51.5 61.6 46.6 8.6 15.9 43 44 A L >> + 0 0 14 -7,-2.4 4,-2.1 1,-0.1 3,-1.2 -0.673 21.0 177.4-127.6 72.1 45.5 5.0 15.1 44 45 A S H 3> S+ 0 0 67 -2,-0.3 4,-2.2 1,-0.3 -1,-0.1 0.781 75.9 51.4 -48.1 -41.8 41.8 5.3 15.6 45 46 A N H 3> S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.803 107.7 52.6 -72.6 -24.9 40.9 1.8 14.6 46 47 A F H <> S+ 0 0 0 -3,-1.2 4,-2.2 2,-0.2 5,-0.2 0.945 111.6 47.7 -69.3 -46.6 43.5 0.3 17.0 47 48 A A H X S+ 0 0 2 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.898 111.5 50.1 -58.0 -45.4 41.9 2.4 19.7 48 49 A K H X S+ 0 0 80 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.901 108.0 54.1 -61.9 -41.5 38.4 1.2 18.6 49 50 A F H X S+ 0 0 7 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.910 110.8 44.8 -61.3 -43.9 39.6 -2.4 18.7 50 51 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.746 105.1 61.4 -75.3 -21.0 40.8 -2.1 22.3 51 52 A R H X S+ 0 0 126 -4,-1.5 4,-2.6 -5,-0.2 -1,-0.2 0.890 107.3 46.9 -69.1 -36.4 37.7 -0.3 23.4 52 53 A E H X S+ 0 0 93 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.910 109.6 51.5 -68.3 -45.1 35.8 -3.4 22.4 53 54 A R H X S+ 0 0 33 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.931 113.4 47.7 -56.7 -44.9 38.3 -5.7 24.2 54 55 A S H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.955 110.0 49.2 -60.7 -56.9 37.7 -3.5 27.3 55 56 A A H X S+ 0 0 30 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.874 111.0 52.2 -52.7 -40.4 33.9 -3.4 27.1 56 57 A A H X S+ 0 0 29 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.904 109.9 46.8 -65.2 -43.5 33.9 -7.2 26.8 57 58 A A H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.911 111.4 52.5 -65.3 -40.5 36.1 -7.8 29.8 58 59 A K H X S+ 0 0 71 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.917 109.3 50.1 -59.9 -44.2 33.9 -5.4 31.8 59 60 A A H X S+ 0 0 39 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.862 108.6 51.6 -63.2 -39.8 30.8 -7.3 30.8 60 61 A H H X S+ 0 0 23 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.918 107.9 52.0 -64.8 -43.0 32.4 -10.6 31.8 61 62 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.941 110.0 50.0 -59.0 -43.9 33.2 -9.2 35.2 62 63 A E H X S+ 0 0 93 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.862 108.9 50.4 -62.7 -39.2 29.6 -8.1 35.6 63 64 A K H X S+ 0 0 103 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.823 107.9 54.1 -68.6 -32.5 28.2 -11.5 34.7 64 65 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.863 106.7 51.2 -68.8 -37.0 30.5 -13.2 37.2 65 66 A I H X S+ 0 0 41 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.930 110.7 49.3 -64.8 -42.9 29.1 -10.9 39.9 66 67 A E H X S+ 0 0 105 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.876 108.8 52.5 -63.5 -37.8 25.6 -11.9 38.9 67 68 A Y H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 6,-0.2 0.910 104.8 55.8 -65.3 -39.3 26.6 -15.6 39.0 68 69 A Q H X>S+ 0 0 1 -4,-2.1 5,-2.7 1,-0.2 4,-0.5 0.929 111.8 43.9 -58.1 -43.5 27.9 -15.1 42.5 69 70 A N H ><5S+ 0 0 92 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.888 108.6 56.3 -68.5 -43.1 24.5 -13.7 43.5 70 71 A Q H 3<5S+ 0 0 121 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.810 110.4 45.5 -59.8 -32.6 22.5 -16.4 41.7 71 72 A R H 3<5S- 0 0 25 -4,-1.8 -66,-0.5 -3,-0.2 -1,-0.2 0.522 118.9-107.8 -89.2 -9.7 24.3 -19.2 43.6 72 73 A G T <<5S+ 0 0 2 -3,-0.9 -68,-0.2 -4,-0.5 -3,-0.2 0.667 74.0 135.6 92.1 14.6 24.0 -17.5 47.0 73 74 A G < - 0 0 0 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.3 -0.393 54.4-113.3 -85.3 174.3 27.6 -16.5 47.3 74 75 A R - 0 0 125 -2,-0.1 2,-0.3 -3,-0.1 -58,-0.1 -0.940 20.8-126.9-120.6 130.2 28.6 -13.1 48.5 75 76 A V - 0 0 46 -2,-0.5 2,-0.4 -10,-0.1 -10,-0.0 -0.561 23.9-179.7 -77.8 131.0 30.4 -10.5 46.5 76 77 A F - 0 0 140 -2,-0.3 2,-0.4 -63,-0.1 -2,-0.0 -0.986 12.8-156.4-131.5 114.0 33.6 -8.9 47.7 77 78 A L - 0 0 116 -2,-0.4 2,-0.2 -58,-0.1 -60,-0.1 -0.771 6.3-163.2 -96.4 138.9 35.2 -6.3 45.5 78 79 A Q - 0 0 114 -2,-0.4 -2,-0.0 -62,-0.2 2,-0.0 -0.683 36.0 -79.9-112.0 168.1 38.9 -5.4 45.7 79 80 A S - 0 0 113 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 -0.341 43.5-122.6 -67.7 150.2 40.8 -2.4 44.4 80 81 A V - 0 0 59 -57,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.888 24.9-132.5-100.8 115.7 41.6 -2.4 40.7 81 82 A E - 0 0 131 -2,-0.7 -54,-0.1 -61,-0.1 3,-0.1 -0.384 23.7-109.7 -67.6 140.8 45.3 -2.1 40.0 82 83 A K - 0 0 99 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.169 45.8 -85.5 -64.4 158.1 46.4 0.5 37.4 83 84 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.396 36.7-116.1 -65.9 156.0 47.8 -0.9 34.1 84 85 A E S S+ 0 0 125 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.717 94.0 30.8 -65.4 -23.8 51.5 -1.7 34.2 85 86 A R - 0 0 78 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.931 49.4-162.3-136.2 159.9 52.3 1.0 31.6 86 87 A D S S+ 0 0 123 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.626 88.9 52.5-108.2 -25.9 51.0 4.4 30.4 87 88 A D - 0 0 73 1,-0.1 -1,-0.2 -52,-0.0 -55,-0.1 -0.921 62.6-167.3-113.5 133.2 52.8 4.2 27.1 88 89 A W - 0 0 3 -2,-0.4 2,-2.7 1,-0.1 6,-0.2 0.163 26.0-140.2-108.4 18.7 52.3 1.2 24.8 89 90 A A - 0 0 37 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.300 61.4 -26.4 61.5 -68.4 55.1 1.9 22.4 90 91 A N S > S- 0 0 44 -2,-2.7 4,-2.4 1,-0.1 5,-0.2 -0.964 70.6 -79.4-163.4 178.4 53.3 0.9 19.2 91 92 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.872 122.1 47.0 -56.9 -46.0 50.7 -1.2 17.5 92 93 A L H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.937 114.0 47.8 -65.5 -44.9 52.6 -4.5 17.4 93 94 A E H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.881 111.7 49.5 -63.6 -40.5 53.7 -4.2 21.0 94 95 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -6,-0.2 -1,-0.2 0.958 112.2 49.5 -62.8 -47.2 50.2 -3.4 22.2 95 96 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.876 111.1 48.9 -58.2 -42.8 48.9 -6.4 20.3 96 97 A Q H X S+ 0 0 75 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.861 108.9 52.8 -67.7 -37.2 51.5 -8.7 21.8 97 98 A T H X S+ 0 0 29 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.923 107.0 53.0 -64.0 -42.7 50.8 -7.5 25.3 98 99 A A H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 5,-0.2 0.867 103.8 56.3 -62.4 -36.4 47.1 -8.3 24.8 99 100 A L H X S+ 0 0 38 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.932 110.7 44.1 -62.2 -44.2 47.9 -11.8 23.7 100 101 A K H X S+ 0 0 152 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.926 113.3 52.1 -63.8 -46.1 49.8 -12.5 27.0 101 102 A L H X S+ 0 0 24 -4,-2.7 4,-2.0 1,-0.2 5,-0.3 0.969 110.0 47.8 -55.0 -52.8 47.0 -10.8 28.9 102 103 A Q H X S+ 0 0 6 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.837 111.2 51.9 -60.1 -32.5 44.4 -13.0 27.3 103 104 A K H X S+ 0 0 117 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.893 109.1 47.9 -75.0 -34.3 46.4 -16.1 27.9 104 105 A S H X S+ 0 0 69 -4,-2.3 4,-1.8 -3,-0.3 -2,-0.2 0.839 113.8 48.1 -75.2 -28.7 46.9 -15.4 31.6 105 106 A V H X S+ 0 0 1 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.881 111.3 51.0 -74.1 -38.3 43.2 -14.6 32.0 106 107 A N H X S+ 0 0 30 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.873 108.6 52.0 -64.6 -37.0 42.4 -17.8 30.1 107 108 A Q H X S+ 0 0 98 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.912 107.5 51.8 -66.3 -41.6 44.7 -19.7 32.5 108 109 A A H X S+ 0 0 26 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.913 109.2 50.3 -61.5 -42.6 42.9 -18.3 35.5 109 110 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.871 108.8 51.5 -63.5 -38.5 39.5 -19.4 34.1 110 111 A L H X S+ 0 0 74 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.908 110.7 49.7 -63.8 -40.0 40.9 -22.9 33.5 111 112 A D H X S+ 0 0 92 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.886 110.5 48.5 -64.8 -42.2 42.1 -23.0 37.1 112 113 A L H X S+ 0 0 9 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.933 110.6 52.6 -65.5 -40.5 38.6 -21.8 38.3 113 114 A H H X S+ 0 0 36 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.905 106.1 53.9 -59.4 -43.3 37.1 -24.5 36.2 114 115 A A H X S+ 0 0 55 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.869 108.2 48.8 -61.2 -38.6 39.4 -27.1 37.7 115 116 A V H X S+ 0 0 41 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.944 111.5 50.0 -67.1 -44.3 38.3 -26.2 41.2 116 117 A A H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 -2,-0.2 0.914 113.6 45.3 -60.0 -43.2 34.6 -26.3 40.2 117 118 A A H ><5S+ 0 0 53 -4,-2.6 3,-1.5 3,-0.2 -1,-0.2 0.926 112.1 51.8 -65.4 -45.5 35.1 -29.8 38.6 118 119 A D H 3<5S+ 0 0 114 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.825 111.5 46.6 -61.8 -32.6 37.1 -31.0 41.7 119 120 A K T 3<5S- 0 0 65 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.396 117.0-116.9 -90.3 2.8 34.3 -29.8 44.0 120 121 A S T < 5 + 0 0 84 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.953 59.7 152.3 60.6 55.8 31.7 -31.5 41.7 121 122 A D >< + 0 0 3 -5,-2.4 4,-1.9 1,-0.1 5,-0.2 -0.817 15.9 174.1-117.4 88.2 29.8 -28.4 40.6 122 123 A P H > S+ 0 0 90 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.757 77.8 59.7 -65.9 -23.7 28.4 -29.1 37.1 123 124 A H H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.940 108.8 42.4 -70.2 -43.0 26.4 -25.8 37.1 124 125 A M H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.870 114.1 50.0 -71.3 -39.1 29.6 -23.7 37.5 125 126 A T H X S+ 0 0 22 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.911 112.5 47.7 -65.9 -42.3 31.7 -25.7 35.0 126 127 A D H X S+ 0 0 107 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.931 113.4 49.2 -61.4 -43.7 28.9 -25.5 32.5 127 128 A F H <>S+ 0 0 40 -4,-2.2 5,-0.6 1,-0.2 -2,-0.2 0.865 111.9 48.0 -62.3 -41.7 28.7 -21.8 33.2 128 129 A L H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 -1,-0.2 0.802 105.8 59.3 -71.2 -30.9 32.5 -21.3 32.8 129 130 A E H <>S+ 0 0 86 -4,-2.0 5,-1.5 1,-0.3 -2,-0.2 0.903 98.5 65.5 -67.3 -44.5 32.6 -23.2 29.5 130 131 A S T <5S- 0 0 83 -4,-1.5 -1,-0.3 1,-0.2 0, 0.0 -0.988 120.2 -10.2-134.2 128.3 30.2 -21.0 27.5 131 132 A P T >5S+ 0 0 74 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 -0.985 130.7 56.8 -98.6 11.2 30.7 -18.3 26.8 132 133 A Y H >X S+ 0 0 58 -4,-1.6 4,-1.7 1,-0.2 3,-1.0 0.855 108.6 63.5 -61.1 -37.3 54.1 -5.7 7.1 154 155 A W H 3< S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.878 91.8 63.6 -56.2 -42.3 56.5 -4.6 9.9 155 156 A S H 3< S+ 0 0 103 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.821 110.8 38.7 -54.3 -33.6 59.5 -6.2 8.2 156 157 A S H << S- 0 0 84 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.975 138.5 -18.8 -81.0 -69.0 59.0 -3.8 5.3 157 158 A H X - 0 0 116 -4,-1.7 4,-2.4 1,-0.1 -1,-0.2 -0.886 48.6-161.6-147.1 112.1 58.1 -0.5 6.9 158 159 A P H > S+ 0 0 55 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.908 94.9 53.5 -59.3 -42.3 56.7 -0.2 10.5 159 160 A G H > S+ 0 0 57 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.948 116.0 37.6 -57.3 -51.6 55.3 3.3 9.8 160 161 A M H > S+ 0 0 114 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.804 111.8 63.8 -69.6 -29.2 53.4 2.2 6.7 161 162 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.946 104.1 43.0 -60.9 -52.7 52.6 -1.1 8.5 162 163 A E H X S+ 0 0 36 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.878 115.3 50.5 -62.5 -41.2 50.5 0.4 11.3 163 164 A Y H X S+ 0 0 161 -4,-1.4 4,-1.6 -5,-0.3 -2,-0.2 0.943 113.7 43.5 -63.2 -50.2 48.7 2.7 8.9 164 165 A L H X S+ 0 0 56 -4,-2.9 4,-3.5 1,-0.2 5,-0.3 0.939 117.7 45.1 -60.9 -49.1 47.8 -0.1 6.4 165 166 A F H X>S+ 0 0 2 -4,-2.5 5,-2.3 -5,-0.2 4,-2.1 0.878 108.8 56.0 -61.3 -43.2 46.7 -2.5 9.2 166 167 A N H <5S+ 0 0 17 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.874 118.8 35.2 -58.1 -36.8 44.7 0.2 11.0 167 168 A K H <5S+ 0 0 120 -4,-1.6 -2,-0.2 -5,-0.2 4,-0.2 0.924 126.4 32.1 -83.7 -53.8 42.8 0.8 7.8 168 169 A H H <5S+ 0 0 134 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.603 131.1 24.1 -86.1 -18.0 42.4 -2.7 6.2 169 170 A T T <5S+ 0 0 61 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.744 130.7 33.6-110.3 -52.8 42.3 -5.0 9.1 170 171 A L < 0 0 7 -5,-2.3 -4,-0.2 1,-0.2 -3,-0.1 0.528 360.0 360.0 -82.5 -5.1 41.0 -3.1 12.1 171 172 A G 0 0 86 -6,-0.4 -1,-0.2 -4,-0.2 -3,-0.2 0.677 360.0 360.0-107.5 360.0 38.8 -0.9 9.9