==== 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 1RCI . 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) . 9130.0 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 . 6 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.1 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 . 7 4.1 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 75 0, 0.0 3,-0.2 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0 134.7 17.6 21.6 51.4 2 3 A Q + 0 0 201 1,-0.2 70,-0.0 3,-0.0 0, 0.0 0.681 360.0 52.3 -69.0 -19.6 19.5 18.2 51.2 3 4 A V S S+ 0 0 84 2,-0.0 -1,-0.2 69,-0.0 69,-0.1 0.747 82.7 112.9 -86.1 -31.1 20.0 19.0 47.5 4 5 A R + 0 0 82 -3,-0.2 2,-0.3 68,-0.2 68,-0.1 -0.220 34.4 154.9 -56.1 124.6 21.4 22.5 48.0 5 6 A Q - 0 0 156 66,-0.5 3,-0.1 -2,-0.1 -3,-0.0 -0.964 65.7 -7.0-154.5 129.0 25.1 22.9 46.9 6 7 A N S S+ 0 0 91 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.855 90.0 135.1 54.7 38.8 27.0 25.9 45.8 7 8 A F - 0 0 10 64,-0.1 -1,-0.2 65,-0.0 2,-0.1 -0.899 44.2-151.5-121.5 99.7 23.8 27.9 45.7 8 9 A H >> - 0 0 62 -2,-0.6 4,-2.1 1,-0.1 3,-1.2 -0.390 19.7-124.7 -72.4 147.2 24.3 31.3 47.3 9 10 A Q H 3> S+ 0 0 109 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.742 112.0 58.3 -63.4 -25.2 21.4 33.2 49.0 10 11 A D H 3> S+ 0 0 74 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.754 108.0 47.0 -72.9 -27.8 22.0 36.2 46.7 11 12 A C H <> S+ 0 0 0 -3,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.871 112.5 50.1 -77.5 -39.6 21.4 33.9 43.8 12 13 A E H X S+ 0 0 33 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.949 115.3 41.9 -61.5 -51.6 18.4 32.5 45.5 13 14 A A H X S+ 0 0 57 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.887 112.3 54.2 -64.5 -41.6 16.9 36.0 46.2 14 15 A G H X S+ 0 0 18 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.862 106.2 54.3 -61.7 -35.2 17.9 37.3 42.7 15 16 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.916 107.9 47.9 -64.3 -45.8 16.0 34.4 41.2 16 17 A N H X S+ 0 0 18 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.915 112.0 50.4 -62.9 -40.2 12.8 35.3 43.1 17 18 A R H X S+ 0 0 129 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.947 112.7 45.1 -63.0 -48.8 13.2 38.9 42.1 18 19 A T H X S+ 0 0 10 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.847 106.9 60.3 -65.8 -32.2 13.6 38.1 38.4 19 20 A V H X S+ 0 0 6 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.949 106.8 46.2 -58.0 -48.8 10.7 35.6 38.6 20 21 A N H X S+ 0 0 29 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.892 109.1 56.0 -61.2 -39.4 8.4 38.5 39.6 21 22 A L H X S+ 0 0 30 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.905 106.1 50.7 -60.5 -40.7 9.9 40.6 36.8 22 23 A K H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.859 110.6 47.9 -66.4 -38.3 9.0 37.9 34.2 23 24 A F H X S+ 0 0 46 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.933 110.9 52.2 -66.8 -42.5 5.4 37.7 35.5 24 25 A Y H X S+ 0 0 47 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.874 108.9 51.2 -59.5 -38.6 5.2 41.5 35.3 25 26 A S H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.943 110.4 46.6 -64.8 -51.0 6.5 41.4 31.7 26 27 A S H X S+ 0 0 14 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.897 111.2 53.6 -59.6 -37.1 3.8 38.8 30.6 27 28 A Y H X S+ 0 0 106 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.896 109.6 47.8 -63.8 -40.8 1.2 40.9 32.4 28 29 A V H X S+ 0 0 9 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.926 113.1 47.8 -64.9 -44.5 2.3 44.0 30.5 29 30 A Y H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.845 109.7 53.1 -64.4 -35.1 2.3 42.0 27.2 30 31 A L H X S+ 0 0 78 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.914 107.8 51.9 -65.7 -42.3 -1.2 40.7 28.0 31 32 A S H X S+ 0 0 22 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.936 111.8 45.9 -58.6 -48.4 -2.3 44.3 28.6 32 33 A M H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.928 110.7 52.6 -62.4 -43.3 -1.0 45.3 25.1 33 34 A A H X S+ 0 0 3 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.832 109.7 49.3 -61.9 -33.6 -2.5 42.2 23.4 34 35 A S H >< S+ 0 0 71 -4,-2.0 3,-0.6 2,-0.2 4,-0.3 0.862 107.1 54.8 -73.4 -38.3 -5.9 43.1 24.9 35 36 A Y H >< S+ 0 0 20 -4,-1.9 3,-1.2 1,-0.2 7,-0.2 0.898 105.7 52.6 -62.9 -40.7 -5.7 46.7 23.8 36 37 A F H 3< S+ 0 0 0 -4,-1.9 7,-1.9 1,-0.3 -1,-0.2 0.680 102.6 58.0 -72.7 -15.3 -5.1 45.7 20.2 37 38 A N T << S+ 0 0 82 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.444 78.9 119.7 -91.1 -3.1 -8.1 43.4 20.0 38 39 A R S X> S- 0 0 91 -3,-1.2 4,-3.0 -4,-0.3 3,-1.9 -0.344 76.5-121.7 -59.9 145.4 -10.4 46.4 20.9 39 40 A D T 34 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.812 113.9 52.4 -60.8 -29.8 -13.0 47.0 18.2 40 41 A D T 34 S+ 0 0 100 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.393 118.9 33.8 -87.2 1.9 -11.6 50.6 18.0 41 42 A V T <4 S+ 0 0 30 -3,-1.9 -2,-0.2 -6,-0.1 -5,-0.1 0.660 76.5 177.1-117.0 -53.9 -8.0 49.4 17.5 42 43 A A < + 0 0 66 -4,-3.0 2,-0.9 -7,-0.2 -5,-0.2 0.769 20.1 146.1 53.8 38.1 -8.4 46.2 15.6 43 44 A L > + 0 0 14 -7,-1.9 4,-2.1 1,-0.2 3,-0.5 -0.613 19.8 177.1-104.2 75.7 -4.8 45.2 15.0 44 45 A S H > S+ 0 0 60 -2,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.766 76.4 45.0 -44.6 -47.6 -5.2 41.4 15.2 45 46 A N H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.846 109.2 55.3 -72.8 -32.9 -1.6 40.4 14.4 46 47 A F H > S+ 0 0 0 -3,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.923 111.1 47.5 -62.0 -42.1 -0.2 43.1 16.8 47 48 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.915 110.2 50.3 -63.6 -45.8 -2.3 41.4 19.5 48 49 A K H X S+ 0 0 68 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.904 109.6 52.7 -60.2 -40.7 -1.2 37.9 18.6 49 50 A F H X S+ 0 0 14 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.926 112.9 42.2 -62.0 -46.3 2.4 39.1 18.7 50 51 A F H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.810 111.3 57.1 -73.1 -25.2 2.0 40.5 22.2 51 52 A R H X S+ 0 0 107 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.897 109.0 45.3 -70.2 -42.2 -0.0 37.5 23.3 52 53 A E H X S+ 0 0 91 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.952 110.9 52.3 -65.4 -48.2 2.8 35.1 22.3 53 54 A R H X S+ 0 0 30 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.859 108.6 54.5 -54.9 -34.2 5.4 37.4 24.1 54 55 A S H X S+ 0 0 9 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.962 109.0 44.4 -65.4 -52.9 3.1 37.1 27.1 55 56 A E H X S+ 0 0 105 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.859 111.7 56.0 -60.5 -35.6 3.1 33.3 27.2 56 57 A E H X S+ 0 0 76 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.879 108.4 45.0 -65.0 -41.6 6.9 33.3 26.6 57 58 A E H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.887 113.4 51.3 -70.0 -39.2 7.6 35.5 29.6 58 59 A K H X S+ 0 0 57 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.950 108.9 51.3 -60.1 -49.3 5.2 33.4 31.7 59 60 A E H X S+ 0 0 78 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.887 109.6 49.9 -55.5 -42.5 7.0 30.3 30.6 60 61 A H H X S+ 0 0 10 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.923 107.1 54.8 -62.8 -45.6 10.4 31.7 31.6 61 62 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.905 110.2 46.7 -53.5 -44.7 9.0 32.7 35.0 62 63 A E H X S+ 0 0 83 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.842 109.9 52.0 -70.2 -33.8 8.0 29.1 35.6 63 64 A K H X S+ 0 0 74 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.819 110.5 49.8 -72.5 -27.4 11.3 27.7 34.3 64 65 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.906 110.9 48.7 -75.0 -39.6 13.0 30.0 36.8 65 66 A I H X S+ 0 0 36 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.934 112.2 49.1 -62.8 -43.7 10.7 28.8 39.6 66 67 A E H X S+ 0 0 106 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.852 110.3 51.3 -63.9 -35.8 11.5 25.3 38.6 67 68 A Y H X S+ 0 0 3 -4,-1.6 4,-1.8 2,-0.2 6,-0.3 0.881 103.8 58.1 -68.8 -37.9 15.2 26.1 38.6 68 69 A Q H <>S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.2 4,-0.4 0.947 110.1 44.1 -56.0 -48.2 14.9 27.6 42.1 69 70 A N H ><5S+ 0 0 86 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.903 107.4 57.8 -63.6 -44.5 13.6 24.2 43.3 70 71 A Q H 3<5S+ 0 0 119 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.842 108.7 47.0 -57.8 -33.4 16.2 22.1 41.4 71 72 A R T 3<5S- 0 0 22 -4,-1.8 -66,-0.5 -3,-0.3 -1,-0.3 0.502 122.1-104.5 -87.6 -4.2 18.9 24.0 43.3 72 73 A G T < 5S+ 0 0 2 -3,-1.6 -3,-0.2 -4,-0.4 -68,-0.2 0.661 74.7 142.5 89.0 15.2 17.3 23.6 46.7 73 74 A G < - 0 0 0 -5,-3.0 2,-0.5 -6,-0.3 -1,-0.3 -0.463 49.7-124.8 -85.0 163.5 16.1 27.2 46.7 74 75 A R - 0 0 118 -2,-0.1 2,-0.4 -3,-0.1 -58,-0.1 -0.939 19.6-136.0-113.4 123.2 12.8 28.3 48.2 75 76 A V - 0 0 44 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.654 17.8-172.4 -83.6 130.3 10.5 30.3 46.0 76 77 A F - 0 0 143 -2,-0.4 2,-0.3 -63,-0.1 -2,-0.0 -0.992 13.2-150.1-121.1 115.3 8.8 33.3 47.5 77 78 A L - 0 0 121 -2,-0.5 2,-0.2 -58,-0.1 -60,-0.1 -0.710 10.3-164.4 -88.1 139.5 6.1 34.9 45.2 78 79 A Q - 0 0 106 -2,-0.3 2,-0.1 -62,-0.2 -2,-0.0 -0.654 36.0 -81.8-112.7 170.6 5.4 38.6 45.5 79 80 A S - 0 0 114 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 -0.430 42.4-126.4 -72.7 148.3 2.4 40.5 44.1 80 81 A V - 0 0 61 -2,-0.1 -1,-0.1 -57,-0.1 -59,-0.1 -0.906 22.2-132.2-104.4 116.4 2.6 41.3 40.5 81 82 A E - 0 0 111 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.344 23.3-111.4 -62.3 144.4 2.0 45.0 39.8 82 83 A K - 0 0 110 1,-0.1 -1,-0.1 2,-0.1 -54,-0.1 -0.346 46.3 -82.1 -73.4 160.2 -0.4 46.0 37.1 83 84 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.177 38.3-111.7 -60.1 158.5 0.9 47.6 33.9 84 85 A E S S+ 0 0 144 -3,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.756 96.7 18.6 -62.9 -27.0 1.7 51.3 33.8 85 86 A R - 0 0 70 1,-0.1 3,-0.1 -57,-0.0 -1,-0.1 -0.966 50.1-155.0-146.2 158.4 -1.2 52.0 31.4 86 87 A D S S+ 0 0 127 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.569 90.2 57.6-103.8 -20.0 -4.4 50.4 30.1 87 88 A D - 0 0 74 1,-0.1 -1,-0.2 -52,-0.0 -55,-0.1 -0.972 62.2-169.5-115.9 121.4 -4.4 52.3 26.8 88 89 A W - 0 0 8 -2,-0.5 2,-2.7 1,-0.1 6,-0.3 0.064 26.2-140.3-100.2 23.6 -1.2 51.9 24.7 89 90 A A - 0 0 40 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.238 62.1 -23.5 56.9 -67.9 -2.0 54.7 22.2 90 91 A N S > S- 0 0 34 -2,-2.7 4,-2.2 -3,-0.1 5,-0.1 -0.918 71.2 -83.6-158.2-177.3 -0.9 53.0 19.0 91 92 A G H > S+ 0 0 0 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.846 121.6 50.5 -67.4 -39.5 1.4 50.3 17.5 92 93 A L H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.951 114.4 44.4 -64.5 -46.4 4.5 52.4 17.4 93 94 A E H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.902 113.9 50.8 -64.1 -40.1 4.1 53.4 21.0 94 95 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 -6,-0.3 -1,-0.2 0.906 112.1 46.5 -62.8 -46.7 3.3 49.8 21.9 95 96 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.872 110.6 53.6 -63.2 -41.2 6.4 48.5 20.1 96 97 A Q H X S+ 0 0 71 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.906 109.7 46.2 -63.0 -41.5 8.6 51.2 21.7 97 98 A T H X S+ 0 0 36 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.867 109.4 55.9 -68.7 -35.7 7.5 50.3 25.3 98 99 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.919 106.7 50.3 -61.0 -43.3 8.0 46.6 24.5 99 100 A L H X S+ 0 0 39 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.898 112.2 46.9 -62.2 -42.0 11.6 47.3 23.5 100 101 A K H X S+ 0 0 144 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.888 113.0 49.2 -67.3 -40.5 12.2 49.3 26.7 101 102 A L H X S+ 0 0 18 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.922 110.6 50.6 -65.4 -43.0 10.6 46.5 28.8 102 103 A Q H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.915 108.7 52.1 -62.6 -39.1 12.8 43.9 27.0 103 104 A K H X S+ 0 0 122 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.826 110.1 47.7 -68.3 -30.1 15.9 45.9 27.7 104 105 A S H X S+ 0 0 60 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.862 112.0 49.3 -78.2 -35.6 15.1 46.1 31.4 105 106 A V H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.932 112.7 48.6 -66.5 -42.4 14.4 42.4 31.6 106 107 A N H X S+ 0 0 28 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.902 109.4 52.3 -62.5 -41.0 17.7 41.8 29.8 107 108 A Q H X S+ 0 0 98 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.860 108.9 50.8 -63.5 -35.2 19.4 44.1 32.2 108 109 A A H X S+ 0 0 13 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.922 111.2 47.1 -68.4 -44.8 17.9 42.1 35.1 109 110 A L H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.905 112.1 51.1 -63.1 -42.2 19.2 38.8 33.6 110 111 A L H X S+ 0 0 69 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.898 111.3 48.0 -62.4 -40.9 22.6 40.4 33.0 111 112 A D H X S+ 0 0 94 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.878 112.3 47.7 -67.4 -41.3 22.8 41.6 36.6 112 113 A L H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.906 109.5 53.9 -66.1 -43.0 21.7 38.2 38.0 113 114 A H H X S+ 0 0 35 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.934 105.9 54.4 -55.7 -45.8 24.2 36.5 35.8 114 115 A A H X S+ 0 0 58 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.927 109.1 45.9 -55.3 -48.7 26.9 38.8 37.3 115 116 A V H X S+ 0 0 32 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.889 110.9 54.7 -64.1 -34.3 26.1 37.8 40.9 116 117 A A H <>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 -1,-0.2 0.915 112.7 41.8 -62.7 -44.6 26.0 34.2 39.8 117 118 A A H ><5S+ 0 0 52 -4,-2.4 3,-1.6 3,-0.2 -2,-0.2 0.883 111.2 57.2 -69.8 -37.5 29.5 34.5 38.3 118 119 A D H 3<5S+ 0 0 119 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.918 109.8 43.7 -59.6 -44.5 30.6 36.6 41.3 119 120 A K T 3<5S- 0 0 60 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.313 118.2-115.5 -83.8 7.3 29.6 33.7 43.6 120 121 A S T < 5 + 0 0 87 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.949 59.7 153.5 57.2 56.5 31.3 31.2 41.3 121 122 A D >< + 0 0 2 -5,-2.2 4,-1.8 1,-0.1 -1,-0.2 -0.901 16.9 176.6-117.3 95.2 28.2 29.3 40.2 122 123 A P H > S+ 0 0 95 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.765 79.3 57.6 -68.0 -29.1 29.0 27.9 36.7 123 124 A H H > S+ 0 0 88 2,-0.2 4,-2.4 3,-0.2 5,-0.1 0.931 109.9 39.5 -67.9 -50.8 25.6 26.1 36.7 124 125 A M H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.918 115.3 53.9 -65.9 -43.5 23.4 29.1 37.2 125 126 A T H X S+ 0 0 22 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.917 111.6 44.9 -56.0 -45.9 25.6 31.2 34.9 126 127 A D H X S+ 0 0 106 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.908 111.8 53.7 -64.9 -43.2 25.2 28.5 32.2 127 128 A F H <>S+ 0 0 40 -4,-2.4 5,-0.6 1,-0.2 -2,-0.2 0.867 109.1 47.6 -60.9 -41.8 21.4 28.3 32.9 128 129 A L H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 6,-0.2 0.894 104.4 61.6 -67.6 -42.3 20.9 32.1 32.4 129 130 A E H <>S+ 0 0 84 -4,-1.8 5,-1.4 -5,-0.2 -2,-0.2 0.887 98.2 65.1 -54.1 -46.5 22.9 32.3 29.2 130 131 A S T <5S- 0 0 81 -4,-1.4 -1,-0.2 3,-0.2 0, 0.0 -0.986 119.7 -11.3-137.0 131.4 20.6 29.9 27.2 131 132 A P T >5S+ 0 0 67 0, 0.0 4,-2.9 0, 0.0 5,-0.2 -0.998 132.4 54.5 -93.4 1.2 17.9 30.4 26.5 132 133 A Y H >X S+ 0 0 56 -4,-1.3 4,-2.7 -3,-0.4 3,-0.8 0.857 104.8 68.4 -80.8 -38.6 5.7 53.9 7.0 154 155 A W H 3< S+ 0 0 69 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.837 99.0 51.7 -48.6 -40.6 4.5 56.2 9.8 155 156 A S H 3< S+ 0 0 99 -4,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.846 114.3 43.3 -66.5 -37.4 6.0 59.2 7.9 156 157 A S H << S- 0 0 83 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.1 0.992 141.8 -24.8 -70.5 -64.7 4.1 58.2 4.8 157 158 A H X - 0 0 116 -4,-2.7 4,-2.0 1,-0.1 -1,-0.2 -0.865 50.8-158.8-156.1 115.6 0.8 57.4 6.6 158 159 A P H > S+ 0 0 62 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.881 95.3 48.6 -61.4 -45.6 0.3 56.4 10.3 159 160 A G H > S+ 0 0 52 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.933 117.7 41.5 -62.7 -43.8 -3.1 54.7 9.9 160 161 A M H > S+ 0 0 102 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.798 107.2 65.8 -73.3 -28.0 -1.9 52.7 6.9 161 162 A A H X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.959 105.2 40.5 -58.4 -56.3 1.4 52.0 8.6 162 163 A E H X S+ 0 0 37 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.885 115.6 53.0 -61.7 -40.0 -0.1 49.9 11.4 163 164 A Y H X S+ 0 0 130 -4,-1.4 4,-1.7 -5,-0.2 -2,-0.2 0.955 114.3 40.1 -61.6 -50.3 -2.5 48.2 8.9 164 165 A L H X>S+ 0 0 52 -4,-3.1 4,-3.2 2,-0.2 5,-0.6 0.925 117.1 48.1 -64.5 -48.8 0.3 47.2 6.5 165 166 A F H X>S+ 0 0 1 -4,-2.7 5,-2.7 -5,-0.3 4,-1.1 0.918 110.7 54.4 -56.8 -43.4 2.7 46.2 9.3 166 167 A N H <5S+ 0 0 6 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.843 117.4 34.0 -60.8 -39.0 -0.1 44.3 10.9 167 168 A K H <5S+ 0 0 86 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.909 130.7 27.0 -84.2 -47.6 -0.8 42.3 7.7 168 169 A H H <5S+ 0 0 143 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.884 129.0 28.9 -85.6 -49.2 2.7 41.9 6.2 169 170 A T T <