==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JUN-10 3AJQ . COMPND 2 MOLECULE: FERRITIN HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.MASUDA,B.MIKAMI . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 77.3 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 . 5 2.9 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 . 114 66.3 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 0 0 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 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 5 A T 0 0 170 0, 0.0 72,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.7 23.4 -19.1 54.7 2 6 A S > - 0 0 26 71,-0.4 3,-0.8 1,-0.1 72,-0.0 -0.258 360.0-131.7 -55.8 138.0 21.5 -18.0 51.6 3 7 A Q T 3 S+ 0 0 196 1,-0.2 -1,-0.1 3,-0.0 70,-0.0 0.661 107.4 48.0 -65.2 -16.9 18.1 -19.7 51.1 4 8 A V T 3 S+ 0 0 77 69,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.624 82.5 117.6 -97.7 -15.4 19.1 -20.4 47.4 5 9 A R < + 0 0 61 -3,-0.8 2,-0.3 68,-0.2 68,-0.1 -0.290 31.0 155.4 -64.6 130.0 22.5 -21.8 48.0 6 10 A Q - 0 0 157 66,-0.5 3,-0.1 -2,-0.1 -3,-0.0 -0.921 66.1 -10.5-156.4 125.2 23.0 -25.4 46.9 7 11 A N S S+ 0 0 94 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.809 90.2 133.8 57.7 34.6 26.2 -27.3 45.9 8 12 A Y - 0 0 11 64,-0.1 -1,-0.2 117,-0.0 2,-0.0 -0.901 47.1-145.6-122.5 102.6 28.2 -24.1 45.8 9 13 A H > - 0 0 75 -2,-0.6 4,-2.3 1,-0.1 3,-0.5 -0.321 17.1-126.5 -72.5 146.9 31.5 -24.3 47.6 10 14 A Q H > S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.821 112.9 57.0 -59.3 -29.2 33.0 -21.4 49.4 11 15 A D H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.872 106.9 48.1 -69.0 -36.6 36.2 -21.8 47.4 12 16 A S H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.921 109.1 53.3 -68.2 -45.9 34.1 -21.4 44.2 13 17 A E H X S+ 0 0 24 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.924 111.5 46.0 -50.6 -49.3 32.4 -18.3 45.5 14 18 A A H X S+ 0 0 39 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.915 111.2 51.8 -63.4 -44.1 35.8 -16.8 46.3 15 19 A A H X S+ 0 0 6 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.863 107.0 53.6 -61.6 -37.2 37.2 -17.8 42.8 16 20 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.907 107.1 51.7 -65.3 -41.5 34.2 -16.2 41.1 17 21 A N H X S+ 0 0 18 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.916 109.7 49.8 -59.8 -41.0 34.9 -12.9 43.0 18 22 A R H X S+ 0 0 163 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.902 110.0 50.8 -63.9 -38.2 38.5 -13.1 41.8 19 23 A Q H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.885 104.7 56.9 -67.5 -37.8 37.3 -13.6 38.2 20 24 A I H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.934 108.2 47.9 -56.5 -44.8 35.0 -10.6 38.5 21 25 A N H X S+ 0 0 40 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.900 110.4 51.7 -62.6 -42.1 38.0 -8.4 39.4 22 26 A L H X S+ 0 0 41 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.880 108.6 50.3 -63.1 -40.8 40.0 -9.9 36.5 23 27 A E H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.892 111.5 48.9 -65.0 -40.0 37.2 -9.2 33.9 24 28 A L H X S+ 0 0 30 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.900 109.9 52.0 -65.5 -40.4 37.0 -5.6 35.2 25 29 A Y H X S+ 0 0 42 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.932 108.2 51.2 -58.9 -44.9 40.7 -5.3 34.9 26 30 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.896 107.7 52.7 -61.6 -39.5 40.6 -6.5 31.3 27 31 A S H X S+ 0 0 18 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.898 109.8 49.7 -60.8 -38.2 37.9 -3.9 30.6 28 32 A Y H X S+ 0 0 101 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.897 107.9 52.5 -70.2 -39.1 40.2 -1.2 32.0 29 33 A V H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.940 111.9 45.6 -59.9 -47.5 43.2 -2.4 29.9 30 34 A Y H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.846 109.9 54.8 -68.1 -33.7 41.2 -2.2 26.7 31 35 A L H X S+ 0 0 63 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.932 110.6 46.0 -62.4 -46.1 39.8 1.2 27.7 32 36 A S H X S+ 0 0 30 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.925 112.9 49.7 -62.3 -45.9 43.3 2.5 28.1 33 37 A M H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 3,-0.3 0.921 106.8 57.1 -58.5 -44.0 44.4 1.0 24.8 34 38 A S H >< S+ 0 0 4 -4,-2.6 3,-0.6 1,-0.2 4,-0.5 0.940 108.6 44.0 -53.5 -51.9 41.4 2.5 23.1 35 39 A Y H 3< S+ 0 0 126 -4,-1.9 3,-0.3 1,-0.3 4,-0.3 0.718 102.3 66.8 -75.4 -18.4 42.3 6.1 24.0 36 40 A Y H >< S+ 0 0 21 -4,-1.5 3,-1.4 -3,-0.3 7,-0.3 0.925 102.8 47.8 -57.8 -43.1 46.0 5.6 23.2 37 41 A F T << S+ 0 0 0 -4,-1.5 7,-1.8 -3,-0.6 11,-0.2 0.620 103.7 62.4 -78.8 -9.1 44.9 5.2 19.6 38 42 A D T 3 S+ 0 0 106 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.463 78.6 114.7 -88.4 -6.9 42.8 8.4 19.9 39 43 A R S X> S- 0 0 97 -3,-1.4 4,-2.3 -4,-0.3 3,-2.0 -0.394 77.2-124.4 -64.9 144.4 45.9 10.5 20.7 40 44 A D T 34 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.745 112.2 53.2 -62.1 -21.6 46.6 13.1 18.0 41 45 A D T 34 S+ 0 0 97 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.263 120.8 29.8 -98.2 11.1 50.2 11.6 17.7 42 46 A V T <4 S+ 0 0 32 -3,-2.0 -2,-0.2 -5,-0.1 -5,-0.1 0.537 78.7 174.2-126.2 -62.0 48.9 8.0 17.1 43 47 A A < + 0 0 66 -4,-2.3 2,-0.6 -7,-0.3 -5,-0.2 0.833 17.8 145.1 61.6 47.8 45.6 8.7 15.4 44 48 A L > - 0 0 15 -7,-1.8 4,-2.1 1,-0.1 3,-0.4 -0.837 23.6-175.9-114.3 90.7 44.3 5.2 14.4 45 49 A K H > S+ 0 0 116 -2,-0.6 4,-2.3 1,-0.2 -1,-0.1 0.758 78.3 51.3 -64.9 -28.0 40.6 5.6 14.9 46 50 A N H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.837 107.5 52.0 -82.5 -30.5 39.7 2.0 14.1 47 51 A F H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 5,-0.3 0.926 111.7 49.8 -59.3 -44.9 42.2 0.6 16.6 48 52 A A H X S+ 0 0 11 -4,-2.1 4,-2.2 -11,-0.2 -2,-0.2 0.948 112.4 45.5 -61.2 -47.1 40.5 2.9 19.1 49 53 A K H X S+ 0 0 121 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.917 111.8 52.8 -60.8 -44.4 37.0 1.7 18.1 50 54 A Y H X S+ 0 0 29 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.932 112.5 42.8 -58.3 -49.6 38.1 -2.0 18.2 51 55 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.858 110.4 55.8 -70.2 -34.6 39.6 -1.8 21.7 52 56 A L H X S+ 0 0 42 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.926 108.3 49.3 -62.5 -41.0 36.7 0.3 23.1 53 57 A H H X S+ 0 0 105 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.920 110.4 50.4 -61.4 -43.0 34.3 -2.4 21.9 54 58 A Q H X S+ 0 0 16 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.885 108.0 53.9 -61.3 -39.7 36.5 -5.0 23.6 55 59 A S H X S+ 0 0 5 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.931 108.4 48.1 -61.7 -45.3 36.4 -3.0 26.8 56 60 A H H X S+ 0 0 104 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.903 108.8 54.9 -63.9 -37.9 32.6 -2.9 26.8 57 61 A E H X S+ 0 0 59 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.883 106.1 51.4 -60.2 -40.6 32.5 -6.7 26.2 58 62 A E H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.872 105.8 54.5 -67.0 -36.5 34.7 -7.3 29.3 59 63 A R H X S+ 0 0 136 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.915 108.4 50.0 -62.2 -39.7 32.4 -5.1 31.4 60 64 A E H X S+ 0 0 120 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.888 107.5 54.0 -62.9 -39.1 29.6 -7.4 30.3 61 65 A H H X S+ 0 0 33 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.898 109.4 48.1 -60.4 -41.6 31.7 -10.4 31.2 62 66 A A H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.923 109.8 51.7 -66.0 -45.1 32.1 -9.0 34.7 63 67 A E H X S+ 0 0 89 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.879 106.2 54.3 -59.2 -38.8 28.4 -8.3 35.1 64 68 A K H X S+ 0 0 85 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.856 108.6 49.3 -66.5 -34.0 27.4 -11.8 34.1 65 69 A L H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.860 109.1 51.6 -71.6 -36.7 29.7 -13.2 36.8 66 70 A M H X S+ 0 0 53 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.910 110.4 49.6 -63.2 -40.0 28.2 -10.8 39.4 67 71 A K H X S+ 0 0 132 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.924 110.4 50.6 -61.3 -44.4 24.8 -12.1 38.3 68 72 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 6,-0.3 0.917 105.5 56.0 -60.5 -45.7 26.0 -15.7 38.6 69 73 A Q H X>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 4,-0.6 0.946 113.0 41.4 -52.9 -51.1 27.3 -15.1 42.2 70 74 A N H ><5S+ 0 0 86 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.874 109.7 58.1 -65.4 -37.7 23.9 -13.9 43.2 71 75 A Q H 3<5S+ 0 0 107 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.875 111.3 43.1 -59.8 -36.8 22.1 -16.7 41.3 72 76 A R H 3<5S- 0 0 24 -4,-2.3 -66,-0.5 -3,-0.2 -1,-0.2 0.518 118.9-109.5 -89.9 -5.3 24.0 -19.3 43.3 73 77 A G T <<5S+ 0 0 3 -3,-0.8 -71,-0.4 -4,-0.6 -3,-0.2 0.593 73.2 134.3 87.6 11.7 23.6 -17.5 46.7 74 78 A G < - 0 0 0 -5,-2.3 2,-0.5 -6,-0.3 -1,-0.3 -0.312 55.3-115.9 -78.7 173.0 27.2 -16.4 47.0 75 79 A R - 0 0 123 -2,-0.1 2,-0.2 -3,-0.1 -58,-0.1 -0.965 21.7-121.6-120.4 128.3 28.1 -12.8 48.0 76 80 A I - 0 0 42 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.452 25.7-172.7 -66.5 130.5 29.9 -10.4 45.8 77 81 A F - 0 0 138 -2,-0.2 2,-0.2 -63,-0.1 -57,-0.1 -0.976 10.1-158.7-126.4 116.3 33.2 -9.1 47.2 78 82 A L - 0 0 103 -2,-0.5 2,-0.3 -58,-0.1 -60,-0.1 -0.639 7.9-170.3 -97.3 150.3 34.8 -6.3 45.1 79 83 A Q - 0 0 140 -2,-0.2 -2,-0.0 -62,-0.2 3,-0.0 -0.866 41.2 -70.3-128.7 167.5 38.4 -5.2 45.1 80 84 A D - 0 0 129 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.223 45.5-124.8 -51.8 142.8 40.3 -2.2 43.5 81 85 A I - 0 0 75 -57,-0.1 -1,-0.1 -3,-0.0 -59,-0.1 -0.854 31.7-131.6 -90.9 111.3 40.5 -2.4 39.7 82 86 A K - 0 0 138 -2,-0.8 3,-0.1 1,-0.1 -54,-0.1 -0.320 19.4-108.1 -65.0 143.1 44.2 -2.1 39.1 83 87 A K - 0 0 154 1,-0.1 -1,-0.1 2,-0.1 -54,-0.1 -0.306 49.9 -86.3 -63.7 153.2 45.4 0.4 36.5 84 88 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.249 34.3-113.5 -62.5 151.9 46.7 -1.3 33.3 85 89 A D S S+ 0 0 101 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.902 97.8 40.7 -47.5 -51.7 50.4 -2.4 33.1 86 90 A C - 0 0 41 1,-0.1 3,-0.1 -57,-0.0 -1,-0.0 -0.816 48.4-174.2-108.9 143.8 51.3 0.1 30.4 87 91 A D S S+ 0 0 126 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.789 88.0 45.0 -92.0 -42.2 50.4 3.8 29.8 88 92 A D - 0 0 81 1,-0.1 -1,-0.3 -52,-0.0 -55,-0.1 -0.916 64.7-170.7-106.3 127.2 52.1 4.0 26.5 89 93 A W - 0 0 0 -2,-0.5 2,-2.7 -3,-0.1 6,-0.2 0.333 22.4-146.0-104.0 3.5 51.5 1.1 24.1 90 94 A E - 0 0 139 4,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.196 63.3 -6.4 73.9 -53.4 54.1 2.0 21.4 91 95 A S S > S- 0 0 15 -2,-2.7 4,-2.1 1,-0.1 5,-0.2 -0.967 74.6 -94.2-163.8 166.8 52.3 0.8 18.3 92 96 A G H > S+ 0 0 0 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.918 124.3 52.2 -58.2 -44.6 49.2 -1.0 17.0 93 97 A L H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.927 108.5 50.0 -58.5 -46.4 51.3 -4.2 16.9 94 98 A N H > S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 110.0 50.0 -62.3 -40.4 52.4 -3.8 20.5 95 99 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 -6,-0.2 -1,-0.2 0.924 110.5 49.9 -64.3 -43.3 48.9 -3.2 21.8 96 100 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.888 110.4 50.7 -60.8 -40.1 47.6 -6.3 19.9 97 101 A E H X S+ 0 0 63 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.894 110.5 49.3 -64.0 -39.7 50.5 -8.3 21.5 98 102 A C H X S+ 0 0 26 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.908 110.7 50.4 -64.5 -42.3 49.5 -7.0 25.0 99 103 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.908 108.8 51.7 -61.7 -43.8 45.9 -7.9 24.3 100 104 A L H X S+ 0 0 39 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.925 111.1 47.6 -58.7 -45.0 46.9 -11.4 23.3 101 105 A H H X S+ 0 0 122 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.920 112.4 50.3 -61.1 -44.6 48.9 -11.8 26.5 102 106 A L H X S+ 0 0 12 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.926 110.4 48.1 -59.8 -48.8 46.0 -10.5 28.5 103 107 A E H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.848 110.7 51.0 -66.6 -33.7 43.4 -12.8 27.0 104 108 A K H X S+ 0 0 122 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.894 110.6 50.0 -69.0 -36.4 45.7 -15.8 27.5 105 109 A N H X S+ 0 0 84 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.921 111.6 47.4 -64.3 -43.3 46.1 -14.8 31.1 106 110 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.898 110.7 52.7 -63.9 -41.1 42.3 -14.5 31.5 107 111 A N H X S+ 0 0 30 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.920 106.8 52.0 -58.9 -45.0 41.8 -17.8 29.8 108 112 A Q H X S+ 0 0 95 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.920 109.1 50.7 -58.7 -43.1 44.3 -19.5 32.3 109 113 A S H X S+ 0 0 29 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.906 110.5 49.2 -60.5 -42.9 42.3 -18.0 35.2 110 114 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.860 110.2 50.4 -65.4 -37.5 39.1 -19.4 33.7 111 115 A L H X S+ 0 0 76 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.889 110.6 49.6 -67.7 -39.5 40.6 -22.9 33.2 112 116 A E H X S+ 0 0 109 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.911 110.4 51.3 -63.4 -40.5 41.8 -22.8 36.8 113 117 A L H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.896 109.8 49.6 -61.6 -39.9 38.3 -21.8 37.8 114 118 A H H X S+ 0 0 36 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.903 107.5 53.7 -68.5 -40.1 36.9 -24.7 35.8 115 119 A K H X S+ 0 0 129 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.917 110.4 47.7 -58.1 -44.1 39.4 -27.1 37.5 116 120 A L H X S+ 0 0 35 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.935 111.3 49.3 -62.0 -47.3 38.1 -25.9 40.9 117 121 A A H <>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 -2,-0.2 0.884 112.8 48.8 -61.3 -37.7 34.5 -26.3 39.9 118 122 A T H ><5S+ 0 0 67 -4,-2.6 3,-1.7 3,-0.2 -1,-0.2 0.923 109.7 51.4 -65.1 -45.3 35.2 -29.8 38.6 119 123 A D H 3<5S+ 0 0 90 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.852 112.1 46.9 -63.2 -33.4 37.1 -30.7 41.8 120 124 A K T 3<5S- 0 0 71 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.274 112.9-120.4 -91.6 9.5 34.1 -29.5 43.9 121 125 A N T < 5 + 0 0 122 -3,-1.7 -3,-0.2 1,-0.2 3,-0.1 0.923 58.9 151.7 53.5 51.4 31.6 -31.4 41.6 122 126 A D >< + 0 0 2 -5,-2.7 4,-2.2 1,-0.1 -1,-0.2 -0.795 14.9 171.9-112.7 84.7 29.7 -28.3 40.6 123 127 A P H > S+ 0 0 94 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.797 76.2 58.6 -71.6 -25.3 28.3 -29.2 37.1 124 128 A H H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.937 109.5 43.9 -64.0 -43.4 26.2 -26.0 37.0 125 129 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.902 112.1 53.3 -69.0 -38.9 29.3 -23.8 37.4 126 130 A C H X S+ 0 0 13 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.948 111.0 46.1 -58.0 -49.3 31.3 -25.9 34.9 127 131 A D H X S+ 0 0 90 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.862 109.9 55.0 -62.1 -37.3 28.5 -25.5 32.3 128 132 A F H X S+ 0 0 11 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.943 112.0 42.8 -61.5 -48.5 28.3 -21.8 33.0 129 133 A I H X>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 4,-1.9 0.927 116.6 47.8 -63.0 -46.1 32.1 -21.3 32.4 130 134 A E H <>S+ 0 0 99 -4,-2.7 5,-0.8 -5,-0.2 -2,-0.2 0.890 117.5 41.5 -61.3 -42.1 32.0 -23.6 29.3 131 135 A T H <5S+ 0 0 65 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.898 127.4 25.5 -76.4 -44.0 29.0 -21.9 27.8 132 136 A H H <5S+ 0 0 62 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.589 132.7 20.1-103.3 -11.9 29.7 -18.2 28.5 133 137 A Y T X5S+ 0 0 2 -4,-1.9 4,-2.1 -5,-0.3 -3,-0.2 0.743 103.5 63.2-126.2 -43.1 33.4 -18.0 28.7 134 138 A L H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.915 108.8 46.1 -58.5 -41.9 34.6 -16.7 23.7 137 141 A Q H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.917 110.9 50.9 -66.3 -46.1 38.2 -16.8 25.0 138 142 A V H X S+ 0 0 79 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.926 112.3 47.4 -59.0 -42.6 39.4 -19.2 22.3 139 143 A K H X S+ 0 0 139 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.909 112.8 48.9 -64.0 -41.0 37.8 -17.0 19.6 140 144 A A H X S+ 0 0 21 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.914 112.4 47.5 -65.8 -43.4 39.3 -13.8 21.1 141 145 A I H X S+ 0 0 32 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.914 112.6 49.2 -64.7 -42.5 42.8 -15.4 21.4 142 146 A K H X S+ 0 0 128 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.920 111.6 49.2 -62.5 -43.9 42.6 -16.7 17.8 143 147 A E H X S+ 0 0 77 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.920 111.9 47.6 -63.7 -44.2 41.4 -13.3 16.5 144 148 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.889 111.0 52.2 -64.6 -38.2 44.2 -11.4 18.3 145 149 A G H X S+ 0 0 20 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.937 109.6 49.5 -60.0 -46.8 46.7 -14.0 17.0 146 150 A D H X S+ 0 0 64 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.916 111.9 48.7 -56.9 -44.1 45.4 -13.4 13.5 147 151 A H H X S+ 0 0 18 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.929 110.7 49.3 -64.6 -47.2 45.8 -9.6 14.0 148 152 A V H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.936 111.3 50.7 -57.2 -46.6 49.3 -9.9 15.3 149 153 A T H X S+ 0 0 65 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.935 111.1 47.3 -57.6 -49.9 50.3 -12.1 12.4 150 154 A N H X S+ 0 0 75 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.933 111.9 49.4 -60.1 -45.7 48.9 -9.7 9.8 151 155 A L H X>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 4,-0.8 0.936 113.8 46.8 -60.6 -44.7 50.6 -6.6 11.4 152 156 A R H ><5S+ 0 0 137 -4,-2.7 3,-1.2 -5,-0.2 -2,-0.2 0.947 112.8 48.3 -59.0 -50.1 53.9 -8.5 11.5 153 157 A K H 3<5S+ 0 0 175 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.822 108.5 55.4 -62.8 -30.0 53.6 -9.7 7.9 154 158 A M H 3<5S- 0 0 74 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.641 126.5 -96.8 -77.7 -15.8 52.7 -6.2 6.7 155 159 A G T S+ 0 0 53 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.822 88.0 60.2 -66.1 -31.5 53.5 3.3 9.8 161 165 A L H > S+ 0 0 111 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.900 100.5 53.6 -60.6 -43.8 51.8 2.6 6.5 162 166 A A H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.950 110.5 45.1 -56.6 -50.7 51.2 -1.0 7.5 163 167 A E H X S+ 0 0 17 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.906 113.0 52.4 -63.3 -38.6 49.4 -0.0 10.7 164 168 A Y H X S+ 0 0 122 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.929 112.6 43.4 -59.4 -47.7 47.4 2.6 8.8 165 169 A L H X S+ 0 0 62 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.863 112.3 52.5 -71.6 -35.4 46.2 0.2 6.2 166 170 A F H X>S+ 0 0 1 -4,-2.6 4,-2.1 -5,-0.2 5,-1.8 0.911 105.6 56.2 -63.0 -43.5 45.4 -2.5 8.8 167 171 A D H <5S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.909 115.4 38.0 -51.6 -43.7 43.3 0.0 10.6 168 172 A K H <5S+ 0 0 72 -4,-1.5 4,-0.2 3,-0.2 -2,-0.2 0.921 124.9 34.1 -77.2 -45.9 41.3 0.6 7.4 169 173 A H H <5S+ 0 0 155 -4,-3.0 -3,-0.2 2,-0.1 -2,-0.2 0.856 129.5 25.0 -84.4 -40.4 41.0 -2.9 6.0 170 174 A T T <5S+ 0 0 65 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.868 134.5 28.8 -92.0 -43.3 40.8 -5.2 9.0 171 175 A L < 0 0 25 -5,-1.8 -3,-0.2 -4,-0.0 -4,-0.1 0.555 360.0 360.0 -96.7 -8.0 39.4 -3.0 11.8 172 176 A G 0 0 72 -6,-0.4 -3,-0.1 -4,-0.2 -4,-0.1 0.287 360.0 360.0 -93.6 360.0 37.4 -0.6 9.6