==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-OCT-09 3KA4 . COMPND 2 MOLECULE: FERRITIN, MIDDLE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: RANA CATESBEIANA; . AUTHOR T.TOSHA,H.L.NG,E.THEIL,T.ALBER,O.BHATTASALI . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9560.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 77.9 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 . 5 2.9 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 . 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 1 0 0 0 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 1 A V 0 0 174 0, 0.0 73,-0.1 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 168.2 146.2 72.5 68.1 2 2 A S > - 0 0 26 71,-0.4 3,-0.9 1,-0.1 72,-0.0 -0.356 360.0-124.7 -61.1 144.9 143.5 73.9 70.3 3 3 A Q T 3 S+ 0 0 194 1,-0.2 -1,-0.1 -2,-0.0 70,-0.0 0.696 111.0 49.1 -63.2 -23.8 143.0 72.2 73.7 4 4 A V T 3 S+ 0 0 80 69,-0.0 -1,-0.2 2,-0.0 69,-0.1 0.662 83.2 114.8 -88.3 -18.2 139.4 71.7 72.9 5 5 A R < + 0 0 54 -3,-0.9 2,-0.3 68,-0.2 68,-0.1 -0.267 32.7 157.3 -67.9 132.1 139.8 70.2 69.4 6 6 A Q - 0 0 156 66,-0.4 3,-0.1 -2,-0.0 -3,-0.0 -0.915 66.6 -9.1-157.1 124.6 138.7 66.6 69.1 7 7 A N S S+ 0 0 97 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.802 90.5 134.9 58.9 34.3 137.7 64.8 65.9 8 8 A Y - 0 0 11 64,-0.1 -1,-0.2 114,-0.0 2,-0.2 -0.906 45.5-147.2-119.9 103.9 137.7 68.0 63.9 9 9 A H >> - 0 0 73 -2,-0.6 4,-2.3 1,-0.1 3,-0.7 -0.444 17.3-127.3 -75.0 143.4 139.3 67.6 60.5 10 10 A S H 3> S+ 0 0 76 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.836 111.2 56.7 -50.8 -39.8 141.2 70.6 59.0 11 11 A D H 3> S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.878 107.2 47.6 -64.6 -35.6 139.2 70.1 55.8 12 12 A C H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.909 109.7 53.4 -70.5 -44.6 135.9 70.5 57.7 13 13 A E H X S+ 0 0 31 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.916 112.1 45.0 -51.9 -48.7 137.3 73.6 59.5 14 14 A A H X S+ 0 0 35 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.924 111.2 52.3 -66.5 -39.7 138.1 75.2 56.2 15 15 A A H X S+ 0 0 11 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.850 105.8 55.1 -64.4 -36.0 134.8 74.2 54.7 16 16 A V H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.924 107.3 50.8 -60.5 -44.7 133.0 75.8 57.7 17 17 A N H X S+ 0 0 21 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.908 111.3 47.4 -60.7 -46.5 134.8 79.1 56.9 18 18 A R H X S+ 0 0 161 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.903 111.3 50.8 -63.8 -37.1 133.8 78.9 53.3 19 19 A M H X S+ 0 0 6 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.914 106.9 54.6 -66.3 -42.3 130.2 78.2 54.2 20 20 A L H X S+ 0 0 4 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.915 107.9 50.4 -50.1 -48.3 130.2 81.2 56.6 21 21 A N H X S+ 0 0 40 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.917 109.3 50.8 -62.1 -43.1 131.3 83.4 53.7 22 22 A L H X S+ 0 0 37 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.903 107.7 52.6 -65.7 -36.8 128.5 82.1 51.5 23 23 A E H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.902 110.8 47.7 -60.8 -44.8 125.9 82.8 54.2 24 24 A L H X S+ 0 0 32 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.890 110.6 51.8 -61.2 -43.0 127.2 86.3 54.4 25 25 A Y H X S+ 0 0 48 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.919 109.6 49.3 -59.0 -46.3 127.1 86.6 50.7 26 26 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.915 109.5 52.9 -60.3 -44.7 123.4 85.4 50.7 27 27 A S H X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.907 109.1 49.0 -54.1 -44.6 122.6 87.9 53.4 28 28 A Y H X S+ 0 0 120 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.881 108.8 52.6 -67.7 -42.6 124.0 90.7 51.3 29 29 A T H X S+ 0 0 7 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.916 109.6 49.0 -57.1 -50.6 122.1 89.7 48.1 30 30 A Y H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.910 107.1 55.5 -56.1 -42.9 118.9 89.7 50.1 31 31 A S H X S+ 0 0 49 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.892 106.1 52.1 -57.6 -40.1 119.7 93.2 51.4 32 32 A S H X S+ 0 0 27 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.896 108.7 50.4 -61.4 -40.1 120.1 94.3 47.8 33 33 A M H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.919 107.8 53.2 -65.7 -43.5 116.7 93.0 47.0 34 34 A Y H X S+ 0 0 63 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.952 110.4 47.4 -52.5 -50.0 115.2 94.8 50.0 35 35 A A H < S+ 0 0 51 -4,-2.3 4,-0.4 1,-0.2 3,-0.3 0.895 110.4 52.7 -64.4 -36.8 116.7 98.1 48.8 36 36 A F H >< S+ 0 0 10 -4,-2.1 3,-1.5 1,-0.2 7,-0.3 0.940 109.0 47.2 -64.1 -48.9 115.4 97.5 45.2 37 37 A F H 3< S+ 0 0 0 -4,-2.2 7,-2.5 1,-0.3 11,-0.2 0.689 108.7 57.5 -70.9 -14.7 111.8 96.9 46.3 38 38 A D T 3< S+ 0 0 84 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.444 80.7 115.7 -88.2 -7.4 111.9 100.0 48.5 39 39 A R S X> S- 0 0 104 -3,-1.5 4,-2.2 -4,-0.4 3,-2.0 -0.345 76.9-122.3 -62.5 148.2 112.8 102.2 45.6 40 40 A D T 34 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.752 113.2 51.8 -62.5 -24.2 110.2 104.8 44.8 41 41 A D T 34 S+ 0 0 99 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.237 120.4 33.5 -97.1 8.9 109.9 103.5 41.2 42 42 A V T <4 S+ 0 0 36 -3,-2.0 -2,-0.2 -6,-0.1 -5,-0.1 0.562 78.0 173.7-122.6 -63.2 109.4 99.9 42.4 43 43 A A < + 0 0 68 -4,-2.2 2,-0.5 -7,-0.3 -5,-0.2 0.912 19.5 141.9 61.1 53.6 107.5 100.4 45.7 44 44 A L > + 0 0 17 -7,-2.5 4,-2.6 1,-0.1 -1,-0.2 -0.834 21.8 176.6-123.8 79.8 106.5 96.9 46.8 45 45 A H H > S+ 0 0 97 -2,-0.5 4,-2.4 1,-0.2 5,-0.1 0.819 74.1 50.0 -62.8 -38.2 107.0 97.3 50.5 46 46 A N H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 112.7 48.7 -70.5 -38.2 105.8 93.9 51.7 47 47 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.944 110.7 52.6 -59.8 -46.1 108.1 92.2 49.1 48 48 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -11,-0.2 -2,-0.2 0.922 109.1 48.5 -55.0 -48.5 110.9 94.5 50.4 49 49 A E H X S+ 0 0 55 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.852 105.6 58.1 -64.0 -35.8 110.3 93.4 53.9 50 50 A F H X S+ 0 0 5 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.941 110.6 43.0 -55.0 -48.0 110.3 89.7 53.0 51 51 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.872 111.0 54.8 -68.7 -40.8 113.8 90.1 51.6 52 52 A K H X S+ 0 0 70 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.917 109.2 48.9 -54.8 -45.6 115.0 92.2 54.5 53 53 A E H X S+ 0 0 114 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.922 109.8 50.9 -63.0 -43.1 113.8 89.5 56.9 54 54 A H H X S+ 0 0 7 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.908 108.0 54.3 -62.3 -39.7 115.6 86.8 54.8 55 55 A S H X S+ 0 0 2 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.939 108.9 48.0 -57.6 -46.1 118.8 88.9 54.9 56 56 A H H X S+ 0 0 75 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.941 110.1 50.9 -61.0 -42.0 118.6 89.1 58.7 57 57 A E H X S+ 0 0 45 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.904 108.5 52.5 -64.7 -40.3 118.1 85.3 59.0 58 58 A E H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.878 107.2 52.6 -63.3 -38.2 121.1 84.6 56.7 59 59 A R H X S+ 0 0 84 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.900 107.9 51.1 -63.6 -39.4 123.3 86.8 58.9 60 60 A E H X S+ 0 0 99 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.920 106.8 55.0 -62.6 -40.4 122.2 84.8 61.9 61 61 A H H X S+ 0 0 14 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.886 108.4 48.7 -56.7 -42.9 123.1 81.7 60.0 62 62 A A H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 3,-0.3 0.916 108.2 53.1 -62.8 -47.2 126.6 83.1 59.5 63 63 A E H X S+ 0 0 96 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.899 104.6 56.2 -58.0 -39.5 126.9 84.0 63.2 64 64 A K H X S+ 0 0 68 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.863 105.1 51.9 -64.5 -35.3 126.0 80.4 64.2 65 65 A F H X S+ 0 0 1 -4,-1.3 4,-2.6 -3,-0.3 -1,-0.2 0.848 106.8 53.0 -68.1 -35.0 128.8 79.1 62.1 66 66 A M H X S+ 0 0 64 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.951 111.5 46.3 -61.0 -45.2 131.3 81.4 63.8 67 67 A K H X S+ 0 0 141 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.905 112.7 51.1 -60.8 -44.2 130.2 80.1 67.2 68 68 A Y H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 6,-0.3 0.941 105.8 54.3 -59.1 -48.6 130.4 76.6 65.9 69 69 A Q H X>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 4,-0.6 0.926 112.1 44.4 -51.5 -53.9 133.9 77.0 64.6 70 70 A N H ><5S+ 0 0 94 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.887 108.1 57.6 -62.0 -37.7 135.1 78.2 68.0 71 71 A K H 3<5S+ 0 0 132 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.864 110.2 44.4 -60.2 -35.9 133.2 75.5 69.9 72 72 A R H 3<5S- 0 0 25 -4,-2.1 -66,-0.4 -3,-0.2 -1,-0.2 0.528 120.5-106.8 -86.0 -6.9 135.1 72.8 68.0 73 73 A G T <<5S+ 0 0 3 -3,-0.9 -71,-0.4 -4,-0.6 -3,-0.2 0.575 75.7 133.2 87.1 9.7 138.5 74.6 68.3 74 74 A G < - 0 0 0 -5,-2.2 2,-0.5 -6,-0.3 -1,-0.3 -0.312 55.7-115.6 -75.8 175.4 138.7 75.7 64.8 75 75 A R - 0 0 129 -2,-0.1 2,-0.2 -3,-0.1 -58,-0.1 -0.962 18.7-126.0-124.1 124.0 139.7 79.2 63.8 76 76 A V - 0 0 50 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.464 27.3-174.6 -65.1 127.8 137.4 81.7 62.0 77 77 A V - 0 0 77 -2,-0.2 2,-0.3 -63,-0.1 -2,-0.0 -0.993 10.1-153.9-130.4 119.7 139.0 83.0 58.9 78 78 A L - 0 0 103 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.695 10.7-172.3 -95.4 145.7 137.1 85.7 57.0 79 79 A Q - 0 0 136 -2,-0.3 -2,-0.0 -62,-0.2 3,-0.0 -0.866 42.5 -69.6-123.6 169.1 137.2 86.7 53.4 80 80 A D - 0 0 130 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.213 43.6-127.2 -53.3 145.8 135.6 89.6 51.5 81 81 A I - 0 0 77 -57,-0.1 -1,-0.1 -3,-0.0 2,-0.1 -0.873 30.5-133.7 -96.8 109.5 131.9 89.5 51.1 82 82 A K - 0 0 140 -2,-0.8 -54,-0.1 1,-0.1 3,-0.1 -0.382 19.4-110.1 -64.9 140.8 131.3 89.8 47.4 83 83 A K - 0 0 136 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.215 48.0 -82.2 -62.2 156.9 128.6 92.2 46.2 84 84 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.202 36.1-113.8 -61.7 160.8 125.5 90.8 44.7 85 85 A E S S+ 0 0 161 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.701 97.0 36.0 -69.8 -26.2 125.4 89.7 41.1 86 86 A R - 0 0 78 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.934 58.3-153.2-127.4 154.1 122.9 92.3 40.1 87 87 A D S S+ 0 0 133 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.546 90.4 30.8 -94.2 -20.8 122.3 95.9 41.1 88 88 A E - 0 0 86 1,-0.0 -1,-0.2 -52,-0.0 -55,-0.1 -0.985 66.6-151.5-142.9 150.3 118.6 95.8 40.2 89 89 A W - 0 0 8 -2,-0.3 2,-2.0 -57,-0.1 6,-0.2 0.235 24.5-135.2-119.4 12.4 116.2 92.9 40.3 90 90 A G - 0 0 29 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.446 63.5 -32.7 79.9 -76.8 113.6 93.5 37.6 91 91 A N S > S- 0 0 22 -2,-2.0 4,-2.6 -3,-0.1 5,-0.2 -0.930 75.3 -73.1-167.8-179.9 110.4 92.6 39.4 92 92 A T H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.869 127.4 48.5 -60.4 -40.7 108.9 90.3 42.0 93 93 A L H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.949 112.1 46.8 -65.3 -50.9 109.1 87.2 39.8 94 94 A E H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.908 114.9 48.5 -59.3 -43.1 112.7 87.8 38.7 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -6,-0.2 -1,-0.2 0.918 110.8 48.8 -63.1 -43.9 113.7 88.4 42.3 96 96 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.894 110.3 52.3 -65.6 -37.7 112.0 85.4 43.6 97 97 A Q H X S+ 0 0 76 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.928 111.2 47.1 -60.5 -44.8 113.6 83.2 40.8 98 98 A A H X S+ 0 0 31 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.889 111.3 51.8 -65.0 -39.3 117.0 84.6 41.9 99 99 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.899 107.4 52.5 -62.4 -42.9 116.2 83.9 45.5 100 100 A L H X S+ 0 0 30 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.938 111.2 46.6 -59.0 -45.7 115.2 80.3 44.7 101 101 A Q H X S+ 0 0 108 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.889 112.1 50.2 -66.0 -39.8 118.5 79.8 43.0 102 102 A L H X S+ 0 0 16 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.925 110.9 49.1 -60.6 -45.8 120.5 81.4 45.8 103 103 A E H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.883 112.1 48.8 -60.7 -40.0 118.7 79.2 48.4 104 104 A K H X S+ 0 0 99 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.858 110.1 51.5 -67.7 -38.1 119.5 76.1 46.2 105 105 A T H X S+ 0 0 76 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.925 112.6 45.8 -61.8 -48.1 123.2 77.2 46.0 106 106 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.938 112.5 51.2 -60.3 -44.9 123.3 77.6 49.8 107 107 A N H X S+ 0 0 27 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.913 107.9 51.7 -60.3 -42.8 121.6 74.2 50.2 108 108 A Q H X S+ 0 0 101 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.894 109.5 50.1 -60.5 -42.2 124.0 72.5 47.8 109 109 A A H X S+ 0 0 26 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.895 111.2 49.0 -63.3 -39.9 127.0 73.9 49.8 110 110 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.906 112.3 48.3 -63.1 -43.6 125.3 72.6 53.1 111 111 A L H X S+ 0 0 69 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.878 111.0 50.5 -66.3 -41.7 124.8 69.2 51.6 112 112 A D H X S+ 0 0 94 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.911 109.6 50.6 -62.6 -38.6 128.4 69.2 50.3 113 113 A L H X S+ 0 0 6 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.891 109.0 52.5 -67.1 -36.2 129.6 70.1 53.8 114 114 A H H X S+ 0 0 36 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.906 108.0 50.3 -64.5 -40.9 127.5 67.3 55.2 115 115 A K H X S+ 0 0 120 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.891 111.4 48.4 -63.0 -42.2 129.1 64.8 52.8 116 116 A L H X S+ 0 0 40 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.933 111.3 49.7 -61.2 -47.7 132.5 66.0 53.9 117 117 A A H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 4,-0.3 0.888 112.0 49.4 -59.2 -41.5 131.6 65.7 57.5 118 118 A T H ><5S+ 0 0 64 -4,-2.4 3,-1.3 3,-0.2 -1,-0.2 0.935 110.1 50.2 -61.2 -49.8 130.3 62.1 56.8 119 119 A D H 3<5S+ 0 0 99 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.866 113.0 46.4 -56.3 -37.1 133.5 61.2 55.0 120 120 A K T 3<5S- 0 0 74 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.404 114.3-118.1 -90.4 3.9 135.6 62.5 57.9 121 121 A V T < 5 + 0 0 107 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.956 60.1 151.2 59.8 53.5 133.4 60.7 60.4 122 122 A D >< + 0 0 3 -5,-2.6 4,-2.1 1,-0.1 -1,-0.2 -0.796 15.9 170.8-117.4 86.3 132.2 63.8 62.2 123 123 A P H > S+ 0 0 88 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.805 76.0 60.3 -70.1 -29.7 128.8 63.1 63.7 124 124 A H H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.925 108.3 43.7 -61.1 -45.2 128.7 66.4 65.6 125 125 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.902 112.8 53.3 -69.0 -39.9 129.0 68.4 62.5 126 126 A C H X S+ 0 0 15 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.952 110.7 46.5 -55.4 -50.6 126.5 66.2 60.7 127 127 A D H X S+ 0 0 84 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.881 109.6 54.6 -59.2 -41.5 124.0 66.8 63.5 128 128 A F H X S+ 0 0 27 -4,-2.2 4,-2.2 1,-0.2 5,-0.4 0.949 111.3 44.3 -58.1 -48.2 124.6 70.5 63.5 129 129 A L H X>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 4,-1.9 0.921 117.5 44.8 -61.7 -48.9 123.8 70.8 59.8 130 130 A E H <>S+ 0 0 103 -4,-2.5 5,-0.6 -5,-0.2 -1,-0.2 0.874 119.9 40.4 -63.6 -38.6 120.7 68.5 60.1 131 131 A S H <5S+ 0 0 69 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.724 129.5 23.6 -84.3 -28.8 119.4 70.2 63.2 132 132 A E H <5S+ 0 0 90 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.593 131.5 18.1-115.3 -18.2 120.1 73.9 62.4 133 133 A Y T X5S+ 0 0 1 -4,-1.9 4,-2.0 -5,-0.4 -3,-0.2 0.743 103.4 61.4-122.1 -49.2 120.4 74.2 58.6 134 134 A L H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.907 109.0 50.6 -56.5 -43.4 115.2 75.5 57.2 137 137 A Q H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.947 109.1 49.0 -58.6 -53.5 116.6 75.4 53.7 138 138 A V H X S+ 0 0 77 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.905 112.5 49.2 -53.5 -47.0 114.0 72.9 52.5 139 139 A K H X S+ 0 0 108 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.920 113.2 45.5 -59.7 -43.8 111.2 75.1 54.0 140 140 A D H X S+ 0 0 19 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.910 111.6 52.0 -70.4 -38.7 112.5 78.3 52.4 141 141 A I H X S+ 0 0 32 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.931 111.8 47.7 -60.6 -43.2 113.0 76.7 49.0 142 142 A K H X S+ 0 0 121 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.919 111.8 49.4 -63.7 -46.8 109.4 75.4 49.2 143 143 A R H X S+ 0 0 93 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.912 113.2 46.1 -58.0 -47.1 108.0 78.7 50.2 144 144 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.906 111.6 51.4 -66.1 -42.8 109.8 80.6 47.4 145 145 A G H X S+ 0 0 21 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.928 109.1 51.5 -56.8 -44.4 108.8 78.0 44.8 146 146 A D H X S+ 0 0 67 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.887 109.6 50.4 -58.8 -46.1 105.2 78.3 45.9 147 147 A F H X S+ 0 0 17 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.927 107.8 52.8 -57.9 -46.7 105.5 82.1 45.5 148 148 A I H X S+ 0 0 14 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.924 107.5 51.7 -53.3 -48.8 106.9 81.7 42.0 149 149 A T H X S+ 0 0 77 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.931 111.7 46.7 -54.8 -44.7 104.0 79.5 41.0 150 150 A N H X S+ 0 0 56 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.866 109.4 53.5 -67.2 -38.1 101.6 82.2 42.3 151 151 A L H <>S+ 0 0 0 -4,-2.8 5,-2.4 2,-0.2 -2,-0.2 0.903 110.8 47.2 -65.2 -39.4 103.5 85.0 40.5 152 152 A K H ><5S+ 0 0 124 -4,-2.6 3,-1.7 -5,-0.2 -2,-0.2 0.934 110.3 51.8 -64.3 -43.5 103.3 83.1 37.3 153 153 A R H 3<5S+ 0 0 175 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.845 106.8 55.7 -55.2 -39.2 99.5 82.5 37.9 154 154 A L T 3<5S- 0 0 46 -4,-1.9 8,-0.3 -5,-0.1 -1,-0.3 0.377 123.7-105.1 -79.5 0.3 99.1 86.2 38.5 155 155 A G T X>5 - 0 0 25 -3,-1.7 4,-2.1 1,-0.2 3,-0.5 0.618 52.4-158.1 88.4 14.7 100.6 87.0 35.1 156 156 A L T 34< + 0 0 10 -5,-2.4 -1,-0.2 1,-0.3 4,-0.1 -0.415 62.8 24.8 -64.6 149.5 104.0 88.2 35.9 157 157 A P T 34 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 -65,-0.1 -0.983 131.4 35.0 -84.5 -14.0 106.0 89.9 34.6 158 158 A E T <4 S+ 0 0 163 -3,-0.5 2,-1.2 1,-0.1 -2,-0.2 0.814 99.3 78.9 -74.0 -31.0 103.5 91.7 32.4 159 159 A N X + 0 0 75 -4,-2.1 4,-1.9 1,-0.2 5,-0.1 -0.622 49.7 177.7 -90.4 94.4 100.6 91.9 34.8 160 160 A G H > S+ 0 0 46 -2,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.842 81.9 57.1 -64.0 -34.3 101.2 94.8 37.1 161 161 A M H > S+ 0 0 138 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.939 106.1 51.5 -60.1 -41.2 97.8 94.3 38.8 162 162 A G H > S+ 0 0 2 -8,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.913 109.0 50.3 -59.5 -45.5 98.9 90.7 39.5 163 163 A E H X S+ 0 0 30 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.924 110.5 49.6 -61.2 -43.7 102.2 92.0 41.1 164 164 A Y H X S+ 0 0 135 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.941 109.6 51.3 -57.8 -47.5 100.3 94.5 43.3 165 165 A L H X S+ 0 0 65 -4,-2.7 4,-1.6 1,-0.2 5,-0.3 0.896 107.6 52.9 -62.6 -39.0 97.9 91.8 44.4 166 166 A F H X>S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 5,-0.9 0.934 107.9 50.3 -60.7 -46.3 100.8 89.5 45.4 167 167 A D H <5S+ 0 0 4 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.871 115.4 44.3 -59.1 -35.1 102.4 92.2 47.5 168 168 A K H <5S+ 0 0 97 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.645 127.4 22.6 -86.5 -19.6 99.1 92.8 49.3 169 169 A H H <5S+ 0 0 124 -4,-1.6 -3,-0.2 -3,-0.4 -2,-0.2 0.566 121.3 43.9-128.2 -11.0 97.9 89.2 49.9 170 170 A S T <5S+ 0 0 35 -4,-2.7 2,-0.8 -5,-0.3 -3,-0.2 0.733 87.9 77.8-106.0 -24.1 101.0 86.9 49.9 171 171 A V < 0 0 10 -5,-0.9 -1,-0.1 -4,-0.3 -124,-0.1 -0.827 360.0 360.0-106.9 106.9 103.7 88.4 51.8 172 172 A K 0 0 163 -2,-0.8 -3,-0.0 -126,-0.1 -2,-0.0 -0.878 360.0 360.0-128.9 360.0 102.7 87.7 55.2