==== 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 1RCC . 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) . 9262.0 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 . 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 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 83 0, 0.0 3,-0.4 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 124.0 21.8 -18.0 52.2 2 3 A Q + 0 0 199 1,-0.2 70,-0.0 3,-0.0 0, 0.0 0.653 360.0 51.5 -63.9 -18.3 18.5 -19.9 51.7 3 4 A V S S+ 0 0 84 69,-0.1 -1,-0.2 2,-0.0 69,-0.1 0.740 81.7 111.2 -92.3 -27.3 19.4 -20.3 48.1 4 5 A R + 0 0 76 -3,-0.4 2,-0.3 68,-0.2 68,-0.1 -0.221 36.0 158.7 -58.0 129.1 22.9 -21.7 48.4 5 6 A Q - 0 0 159 66,-0.5 3,-0.1 3,-0.0 -3,-0.0 -0.912 65.6 -10.5-157.4 125.2 23.3 -25.3 47.3 6 7 A N S S+ 0 0 98 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.868 90.2 137.4 55.6 38.4 26.4 -27.3 46.3 7 8 A F - 0 0 10 64,-0.1 -1,-0.2 65,-0.0 2,-0.2 -0.942 42.4-150.5-118.7 105.4 28.4 -24.1 46.2 8 9 A H >> - 0 0 52 -2,-0.6 4,-2.1 1,-0.1 3,-0.9 -0.471 20.1-123.6 -78.6 148.4 31.8 -24.4 47.8 9 10 A Q H 3> S+ 0 0 111 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.817 111.8 56.4 -55.3 -40.8 33.8 -21.7 49.5 10 11 A D H 3> S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.800 108.5 46.9 -64.7 -31.0 36.7 -22.2 47.1 11 12 A C H <> S+ 0 0 0 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.871 111.9 50.8 -77.8 -37.7 34.5 -21.6 44.1 12 13 A E H X S+ 0 0 32 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.945 114.8 43.1 -63.8 -46.0 33.0 -18.5 45.8 13 14 A A H X S+ 0 0 37 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.907 112.2 52.5 -67.3 -44.1 36.5 -17.1 46.5 14 15 A G H X S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.878 106.6 54.5 -60.2 -37.2 37.8 -18.0 43.1 15 16 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.928 107.3 50.1 -63.8 -42.4 34.9 -16.2 41.5 16 17 A N H X S+ 0 0 14 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.853 110.5 49.8 -65.6 -33.5 35.7 -13.0 43.4 17 18 A R H X S+ 0 0 150 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.888 108.5 54.2 -70.7 -39.3 39.4 -13.2 42.4 18 19 A T H X S+ 0 0 7 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.830 102.9 54.6 -66.3 -32.9 38.3 -13.6 38.7 19 20 A V H X S+ 0 0 3 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.923 108.1 50.1 -68.6 -36.7 36.1 -10.5 38.6 20 21 A N H X S+ 0 0 34 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.908 110.4 50.8 -63.3 -40.1 39.0 -8.4 39.9 21 22 A L H X S+ 0 0 59 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.880 110.4 48.8 -62.4 -43.2 41.2 -10.0 37.1 22 23 A K H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.923 111.8 48.4 -65.6 -43.8 38.5 -9.1 34.5 23 24 A F H X S+ 0 0 53 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.894 109.7 53.3 -63.3 -39.2 38.2 -5.5 35.8 24 25 A H H X S+ 0 0 27 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.914 108.9 48.8 -62.0 -42.4 42.0 -5.2 35.7 25 26 A S H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.922 109.4 52.2 -60.5 -49.5 42.1 -6.4 32.0 26 27 A S H X S+ 0 0 16 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.901 109.4 49.9 -52.2 -46.4 39.4 -3.9 31.1 27 28 A Y H X S+ 0 0 105 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.893 108.8 52.8 -62.8 -40.7 41.4 -1.1 32.7 28 29 A V H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.952 110.9 45.8 -60.4 -48.8 44.5 -2.3 30.7 29 30 A Y H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.816 108.3 56.9 -64.3 -34.3 42.6 -2.1 27.4 30 31 A L H X S+ 0 0 72 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.919 106.7 50.3 -61.4 -44.0 41.1 1.3 28.3 31 32 A S H X S+ 0 0 19 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.890 111.3 48.0 -60.8 -42.1 44.7 2.5 28.7 32 33 A M H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.941 110.7 50.8 -65.5 -45.2 45.6 1.1 25.3 33 34 A A H X S+ 0 0 0 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.910 111.8 47.4 -58.5 -45.9 42.6 2.6 23.6 34 35 A S H >< S+ 0 0 62 -4,-2.5 3,-0.7 1,-0.2 4,-0.2 0.869 108.6 55.5 -63.9 -38.4 43.4 6.0 25.1 35 36 A Y H >< S+ 0 0 20 -4,-1.9 3,-1.3 1,-0.2 7,-0.2 0.895 105.0 52.0 -62.3 -41.5 47.0 5.7 24.0 36 37 A F H 3< S+ 0 0 0 -4,-2.0 7,-2.2 1,-0.2 -1,-0.2 0.647 102.8 60.0 -73.3 -10.3 46.1 5.2 20.4 37 38 A N T << S+ 0 0 89 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.432 77.4 118.6 -93.4 -2.7 43.9 8.3 20.4 38 39 A R S X> S- 0 0 93 -3,-1.3 4,-2.9 -4,-0.2 3,-2.2 -0.394 76.0-122.1 -62.2 142.8 46.8 10.5 21.2 39 40 A D T 34 S+ 0 0 156 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.738 113.6 52.6 -60.0 -23.7 47.5 13.1 18.5 40 41 A D T 34 S+ 0 0 101 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.343 118.9 33.6 -92.9 3.3 51.1 11.7 18.2 41 42 A V T <4 S+ 0 0 29 -3,-2.2 -2,-0.2 -6,-0.1 -5,-0.1 0.618 77.7 175.4-118.6 -56.9 49.9 8.1 17.7 42 43 A A < + 0 0 69 -4,-2.9 2,-0.3 -7,-0.2 -5,-0.2 0.882 21.4 140.7 50.3 58.5 46.6 8.6 15.8 43 44 A L >> + 0 0 12 -7,-2.2 4,-1.9 1,-0.1 3,-1.4 -0.673 23.0 178.7-127.9 74.8 45.5 5.1 15.0 44 45 A S H 3> S+ 0 0 71 -2,-0.3 4,-1.7 1,-0.3 -1,-0.1 0.685 76.5 52.0 -51.5 -32.6 41.8 5.4 15.5 45 46 A N H 3> S+ 0 0 36 2,-0.2 4,-1.8 3,-0.1 -1,-0.3 0.749 106.6 52.9 -80.7 -21.8 40.9 1.8 14.6 46 47 A F H <> S+ 0 0 0 -3,-1.4 4,-2.4 2,-0.2 5,-0.2 0.930 111.0 48.7 -72.3 -44.4 43.5 0.3 17.0 47 48 A A H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.918 110.8 49.9 -58.7 -45.6 41.9 2.4 19.7 48 49 A K H X S+ 0 0 76 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.899 109.0 52.9 -59.4 -44.4 38.4 1.2 18.7 49 50 A F H X S+ 0 0 15 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.930 112.5 43.1 -59.2 -46.9 39.7 -2.4 18.8 50 51 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.818 108.8 59.2 -72.9 -24.6 41.0 -2.1 22.3 51 52 A R H X S+ 0 0 109 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.872 106.3 48.7 -70.0 -35.2 37.9 -0.2 23.4 52 53 A E H X S+ 0 0 116 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.894 110.4 49.8 -71.1 -39.8 35.8 -3.2 22.4 53 54 A R H X S+ 0 0 21 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.900 110.3 52.0 -64.5 -41.1 38.1 -5.6 24.3 54 55 A S H X S+ 0 0 12 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.945 110.9 46.6 -60.0 -49.9 37.8 -3.3 27.3 55 56 A A H X S+ 0 0 47 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.881 111.8 51.8 -61.0 -39.0 34.0 -3.4 27.1 56 57 A A H X S+ 0 0 27 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.920 109.5 48.3 -65.3 -43.8 33.9 -7.1 26.7 57 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.904 111.5 50.9 -63.2 -40.7 36.1 -7.8 29.8 58 59 A K H X S+ 0 0 89 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.885 108.5 50.9 -63.9 -41.8 33.9 -5.4 31.9 59 60 A A H X S+ 0 0 28 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.893 109.1 52.5 -63.7 -39.2 30.7 -7.2 30.8 60 61 A H H X S+ 0 0 25 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.919 107.5 50.9 -62.4 -44.7 32.3 -10.5 31.8 61 62 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.911 110.5 50.5 -60.0 -39.9 33.2 -9.2 35.2 62 63 A E H X S+ 0 0 83 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.881 109.2 49.4 -66.1 -40.6 29.6 -8.0 35.6 63 64 A K H X S+ 0 0 71 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.830 108.5 53.2 -68.5 -33.2 28.1 -11.4 34.6 64 65 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.868 107.4 52.3 -69.0 -34.8 30.5 -13.2 37.1 65 66 A I H X S+ 0 0 37 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.916 109.8 49.0 -65.5 -41.3 29.2 -10.9 39.8 66 67 A E H X S+ 0 0 118 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.856 107.6 54.5 -65.0 -38.8 25.6 -11.8 38.9 67 68 A Y H X S+ 0 0 4 -4,-1.9 4,-1.8 2,-0.2 6,-0.2 0.914 103.8 55.7 -61.2 -42.4 26.5 -15.5 39.0 68 69 A Q H X>S+ 0 0 1 -4,-1.9 5,-2.9 1,-0.2 4,-0.6 0.925 110.4 45.1 -55.0 -48.3 27.8 -15.2 42.5 69 70 A N H ><5S+ 0 0 92 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.889 109.2 55.5 -64.4 -42.3 24.5 -13.7 43.6 70 71 A Q H 3<5S+ 0 0 123 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.800 110.9 44.8 -61.4 -33.1 22.5 -16.4 41.8 71 72 A R H 3<5S- 0 0 25 -4,-1.8 -66,-0.5 -3,-0.3 -1,-0.2 0.530 120.5-106.6 -90.0 -7.7 24.3 -19.2 43.6 72 73 A G T <<5S+ 0 0 2 -3,-0.8 -3,-0.2 -4,-0.6 -68,-0.2 0.667 73.1 136.7 92.6 16.6 24.1 -17.5 47.0 73 74 A G < - 0 0 0 -5,-2.9 2,-0.5 -6,-0.2 -1,-0.2 -0.383 54.1-114.0 -87.3 173.5 27.7 -16.4 47.3 74 75 A R - 0 0 123 -2,-0.1 2,-0.3 2,-0.0 -58,-0.1 -0.943 22.1-130.4-116.7 127.8 28.7 -13.0 48.6 75 76 A V - 0 0 46 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.607 22.4-176.8 -76.7 130.1 30.5 -10.5 46.4 76 77 A F - 0 0 139 -2,-0.3 2,-0.4 -63,-0.1 -2,-0.0 -0.981 12.1-155.5-129.1 112.6 33.6 -8.9 47.7 77 78 A L - 0 0 118 -2,-0.5 2,-0.2 -58,-0.1 -60,-0.1 -0.746 7.4-161.7 -93.3 139.4 35.2 -6.2 45.5 78 79 A Q - 0 0 112 -2,-0.4 -2,-0.0 -62,-0.2 0, 0.0 -0.718 34.6 -80.4-113.1 164.7 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 -0.321 44.6-123.6 -63.2 147.2 40.8 -2.4 44.5 80 81 A V - 0 0 60 -57,-0.1 2,-0.1 -3,-0.0 -1,-0.1 -0.870 22.6-133.9-100.5 116.1 41.6 -2.4 40.8 81 82 A E - 0 0 125 -2,-0.7 -54,-0.1 1,-0.1 3,-0.1 -0.418 23.4-112.5 -68.9 140.8 45.3 -2.1 40.1 82 83 A K - 0 0 113 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.165 43.1 -83.4 -67.7 160.4 46.4 0.4 37.4 83 84 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.342 35.3-119.0 -65.1 156.6 47.9 -0.8 34.1 84 85 A E S S+ 0 0 123 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.710 94.5 30.9 -69.2 -23.3 51.7 -1.5 34.2 85 86 A R - 0 0 75 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.932 48.0-166.9-136.1 159.0 52.3 1.1 31.5 86 87 A D S S+ 0 0 122 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.533 88.6 55.6-112.2 -23.8 50.8 4.4 30.3 87 88 A D - 0 0 75 1,-0.1 -1,-0.2 -52,-0.0 3,-0.1 -0.949 64.1-169.3-113.7 127.2 52.8 4.4 27.1 88 89 A W - 0 0 3 -2,-0.5 2,-2.6 1,-0.1 6,-0.2 0.134 25.4-138.8-105.6 20.2 52.3 1.3 24.9 89 90 A A - 0 0 37 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.306 62.8 -27.4 62.0 -70.5 55.1 1.9 22.4 90 91 A N > - 0 0 42 -2,-2.6 4,-2.2 -3,-0.1 5,-0.2 -0.961 69.8 -80.6-162.5 179.6 53.3 0.9 19.2 91 92 A G H > S+ 0 0 0 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.796 121.4 49.0 -62.8 -36.2 50.6 -1.3 17.6 92 93 A L H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.945 113.1 46.8 -70.9 -44.4 52.6 -4.5 17.5 93 94 A E H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.864 111.6 51.1 -65.0 -37.7 53.7 -4.2 21.1 94 95 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 -6,-0.2 -1,-0.2 0.931 110.8 49.3 -65.6 -42.7 50.2 -3.4 22.3 95 96 A L H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.882 111.4 48.7 -61.8 -42.6 48.9 -6.5 20.3 96 97 A Q H X S+ 0 0 70 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.854 109.4 52.3 -67.8 -35.4 51.6 -8.8 21.9 97 98 A T H X S+ 0 0 42 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.899 108.4 52.2 -67.3 -38.3 50.8 -7.5 25.4 98 99 A A H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.879 105.5 53.7 -65.9 -38.0 47.1 -8.3 24.8 99 100 A L H X S+ 0 0 24 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.930 111.7 45.3 -63.0 -44.4 47.9 -11.9 23.7 100 101 A K H X S+ 0 0 120 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.895 113.2 51.1 -66.5 -37.5 49.8 -12.5 26.9 101 102 A L H X S+ 0 0 26 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.950 111.1 47.2 -64.4 -47.0 47.1 -10.8 28.9 102 103 A Q H X S+ 0 0 1 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.871 110.3 53.4 -63.1 -35.8 44.4 -13.0 27.3 103 104 A K H X S+ 0 0 101 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.891 109.5 46.9 -69.4 -35.5 46.4 -16.1 27.9 104 105 A S H X S+ 0 0 67 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.878 112.7 49.5 -74.6 -34.0 46.9 -15.4 31.6 105 106 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.901 110.2 52.4 -68.0 -38.1 43.2 -14.6 32.0 106 107 A N H X S+ 0 0 29 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.915 108.2 50.8 -62.0 -43.5 42.4 -17.9 30.1 107 108 A Q H X S+ 0 0 98 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.896 107.8 52.0 -62.0 -41.6 44.6 -19.8 32.5 108 109 A A H X S+ 0 0 28 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.904 110.6 48.9 -62.0 -39.4 42.8 -18.3 35.5 109 110 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.853 110.7 50.3 -68.1 -34.4 39.5 -19.4 34.0 110 111 A L H X S+ 0 0 75 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.915 111.0 48.9 -69.1 -42.6 40.9 -22.9 33.5 111 112 A D H X S+ 0 0 91 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.894 111.0 49.8 -62.8 -41.7 42.1 -23.0 37.0 112 113 A L H X S+ 0 0 9 -4,-2.3 4,-2.1 1,-0.2 3,-0.3 0.928 109.3 52.5 -64.2 -42.4 38.7 -21.9 38.3 113 114 A H H X S+ 0 0 37 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.923 106.3 53.5 -57.4 -47.2 37.1 -24.5 36.1 114 115 A A H X S+ 0 0 55 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.834 107.3 51.2 -58.4 -36.1 39.3 -27.2 37.7 115 116 A V H X S+ 0 0 46 -4,-1.5 4,-1.9 -3,-0.3 -1,-0.2 0.925 110.2 48.7 -68.5 -42.1 38.2 -26.1 41.2 116 117 A A H <>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 -2,-0.2 0.909 113.1 48.6 -62.3 -42.0 34.5 -26.4 40.3 117 118 A A H ><5S+ 0 0 51 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.930 110.1 50.5 -62.8 -47.6 35.2 -29.8 38.7 118 119 A D H 3<5S+ 0 0 123 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.828 112.1 48.2 -60.5 -33.8 37.1 -31.0 41.8 119 120 A K T 3<5S- 0 0 61 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.346 115.6-118.3 -88.0 4.0 34.2 -29.8 44.0 120 121 A S T < 5 + 0 0 85 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.956 59.3 151.6 57.0 56.6 31.7 -31.6 41.7 121 122 A D >< + 0 0 4 -5,-2.1 4,-1.8 1,-0.1 3,-0.2 -0.801 16.5 174.4-118.9 86.2 29.8 -28.4 40.7 122 123 A P H > S+ 0 0 92 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.769 77.4 60.5 -63.2 -25.7 28.3 -29.2 37.2 123 124 A H H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.935 108.4 42.5 -68.2 -42.8 26.4 -25.9 37.2 124 125 A M H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.865 112.7 50.8 -72.8 -38.2 29.6 -23.8 37.5 125 126 A T H X S+ 0 0 22 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.917 112.6 48.6 -65.1 -41.8 31.7 -25.8 35.0 126 127 A D H X S+ 0 0 102 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.934 112.6 48.0 -60.2 -47.5 28.9 -25.5 32.5 127 128 A F H <>S+ 0 0 44 -4,-2.1 5,-0.6 1,-0.2 -2,-0.2 0.845 112.0 49.6 -62.2 -38.6 28.7 -21.7 33.1 128 129 A L H <>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 6,-0.2 0.877 107.2 55.4 -70.8 -36.6 32.4 -21.3 32.8 129 130 A E H <>S+ 0 0 85 -4,-2.1 5,-1.6 1,-0.2 -2,-0.2 0.929 99.3 66.9 -63.0 -50.5 32.6 -23.2 29.5 130 131 A S T <5S- 0 0 84 -4,-1.7 -1,-0.2 1,-0.2 0, 0.0 -0.979 121.8 -11.3-123.3 122.9 30.1 -21.1 27.6 131 132 A P T >5S+ 0 0 71 0, 0.0 4,-3.0 0, 0.0 5,-0.3 -0.998 131.4 55.8 -98.6 -1.3 30.7 -18.3 26.9 132 133 A Y H >X S+ 0 0 61 -4,-1.4 4,-2.1 1,-0.2 3,-1.2 0.825 106.9 62.9 -71.8 -34.8 54.1 -5.7 7.2 154 155 A W H 3< S+ 0 0 61 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.881 93.0 63.4 -57.7 -41.8 56.6 -4.5 9.9 155 156 A S T 3< S+ 0 0 101 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.716 110.3 39.6 -57.8 -23.1 59.4 -6.2 8.1 156 157 A S T <4 S- 0 0 86 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.2 0.917 138.6 -24.6 -90.9 -58.7 58.9 -3.9 5.2 157 158 A H X - 0 0 119 -4,-2.1 4,-2.4 1,-0.1 -1,-0.2 -0.840 45.3-156.7-159.9 119.4 58.1 -0.5 7.0 158 159 A P H > S+ 0 0 58 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.864 96.3 56.0 -66.4 -36.5 56.7 -0.0 10.5 159 160 A G H > S+ 0 0 57 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.963 116.7 34.9 -59.3 -50.6 55.4 3.4 9.7 160 161 A M H > S+ 0 0 115 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.822 110.7 65.5 -72.4 -33.5 53.3 2.1 6.8 161 162 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 -8,-0.2 5,-0.2 0.932 105.4 42.0 -55.1 -52.6 52.6 -1.2 8.5 162 163 A E H X S+ 0 0 37 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.877 114.7 50.9 -63.5 -43.2 50.5 0.5 11.3 163 164 A Y H X S+ 0 0 158 -4,-1.3 4,-1.2 -5,-0.2 -2,-0.2 0.932 114.8 42.3 -61.9 -47.9 48.7 2.8 8.9 164 165 A L H X S+ 0 0 59 -4,-2.9 4,-3.4 2,-0.2 5,-0.4 0.951 116.3 46.9 -65.4 -49.0 47.7 0.0 6.5 165 166 A F H X>S+ 0 0 3 -4,-2.5 5,-2.5 -5,-0.3 4,-2.0 0.879 108.3 55.5 -60.0 -41.9 46.7 -2.5 9.2 166 167 A N H <5S+ 0 0 17 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.862 118.3 36.7 -58.9 -34.7 44.7 0.2 11.0 167 168 A K H <5S+ 0 0 131 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.878 126.2 31.0 -86.4 -46.9 42.8 0.7 7.8 168 169 A H H <5S+ 0 0 135 -4,-3.4 -3,-0.2 -5,-0.1 -2,-0.2 0.725 131.7 23.9 -91.2 -25.8 42.4 -2.7 6.2 169 170 A T T <5S+ 0 0 62 -4,-2.0 -3,-0.2 -5,-0.4 -4,-0.1 0.813 129.7 36.0-104.6 -49.2 42.3 -5.1 9.1 170 171 A L < 0 0 11 -5,-2.5 -4,-0.2 0, 0.0 -3,-0.2 0.570 360.0 360.0 -82.8 -7.3 41.0 -3.1 12.1 171 172 A G 0 0 86 -6,-0.4 -4,-0.1 -4,-0.0 -126,-0.0 -0.792 360.0 360.0-111.6 360.0 38.7 -1.0 9.9