==== 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 3KA6 . 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) . 9693.0 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 . 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 . 5 2.9 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 0 170 0, 0.0 73,-0.1 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 164.3 19.3 37.6 115.7 2 2 A S > - 0 0 23 71,-0.4 3,-0.7 1,-0.1 72,-0.0 -0.300 360.0-125.2 -57.6 147.0 17.9 40.3 113.4 3 3 A Q T 3 S+ 0 0 194 1,-0.2 -1,-0.1 3,-0.0 70,-0.0 0.706 110.7 48.4 -65.3 -24.2 19.6 40.7 110.0 4 4 A V T 3 S+ 0 0 83 69,-0.1 -1,-0.2 2,-0.0 69,-0.1 0.671 83.0 113.4 -88.7 -19.7 20.2 44.4 110.8 5 5 A R < + 0 0 55 -3,-0.7 2,-0.3 68,-0.2 68,-0.1 -0.283 34.2 157.7 -67.8 130.9 21.6 44.0 114.3 6 6 A Q - 0 0 161 66,-0.4 3,-0.1 3,-0.0 -3,-0.0 -0.908 66.4 -7.4-154.9 126.1 25.2 45.0 114.7 7 7 A N S S+ 0 0 94 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.809 90.9 134.7 60.0 34.1 27.1 46.1 117.8 8 8 A Y - 0 0 11 64,-0.1 -1,-0.2 114,-0.0 2,-0.1 -0.911 45.7-146.2-122.1 103.3 23.9 46.1 119.9 9 9 A H >> - 0 0 76 -2,-0.6 4,-2.3 1,-0.1 3,-0.6 -0.440 17.0-127.6 -72.3 142.7 24.2 44.4 123.3 10 10 A S H 3> S+ 0 0 76 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.845 111.6 55.9 -52.0 -38.9 21.3 42.5 124.8 11 11 A D H 3> S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.888 107.9 47.8 -68.4 -35.1 21.7 44.5 128.0 12 12 A C H <> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.908 109.6 53.0 -69.7 -43.7 21.3 47.8 126.0 13 13 A E H X S+ 0 0 30 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.921 112.0 45.3 -54.4 -47.2 18.3 46.5 124.2 14 14 A A H X S+ 0 0 36 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.911 111.7 51.7 -66.0 -43.6 16.7 45.6 127.6 15 15 A A H X S+ 0 0 12 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.841 105.8 55.2 -63.8 -33.3 17.6 49.0 129.1 16 16 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.917 107.2 50.7 -64.0 -42.2 16.1 50.8 126.1 17 17 A N H X S+ 0 0 19 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.913 111.0 48.2 -59.3 -42.8 12.8 48.9 126.8 18 18 A R H X S+ 0 0 162 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.909 111.1 50.3 -67.4 -36.9 12.9 50.0 130.4 19 19 A M H X S+ 0 0 7 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.897 106.4 55.3 -65.3 -40.9 13.6 53.6 129.4 20 20 A L H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.923 108.2 49.8 -54.5 -47.6 10.7 53.5 127.0 21 21 A N H X S+ 0 0 37 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.909 109.3 50.8 -63.1 -41.6 8.5 52.5 130.0 22 22 A L H X S+ 0 0 34 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.895 107.6 52.4 -65.9 -36.5 9.8 55.3 132.2 23 23 A E H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.918 110.7 48.4 -63.1 -41.7 9.1 57.9 129.5 24 24 A L H X S+ 0 0 17 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.916 110.7 51.5 -61.1 -42.7 5.5 56.6 129.3 25 25 A Y H X S+ 0 0 61 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.926 109.5 49.2 -60.5 -45.2 5.3 56.7 133.1 26 26 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.921 109.4 52.8 -60.4 -45.0 6.5 60.3 133.0 27 27 A S H X S+ 0 0 10 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.906 109.2 49.3 -53.9 -45.0 3.9 61.2 130.3 28 28 A Y H X S+ 0 0 118 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.892 108.1 53.3 -68.9 -38.6 1.1 59.7 132.5 29 29 A T H X S+ 0 0 7 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.921 108.5 49.8 -59.5 -46.6 2.2 61.7 135.5 30 30 A Y H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.872 106.8 55.6 -63.2 -36.3 2.1 64.9 133.6 31 31 A S H X S+ 0 0 42 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.902 106.1 51.5 -60.1 -41.2 -1.4 64.0 132.3 32 32 A S H X S+ 0 0 27 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.875 108.7 50.3 -61.0 -41.7 -2.5 63.6 135.9 33 33 A M H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.927 108.9 52.6 -62.7 -47.7 -1.1 67.1 136.7 34 34 A Y H X S+ 0 0 64 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.940 110.1 47.8 -48.8 -51.9 -2.9 68.6 133.8 35 35 A A H < S+ 0 0 53 -4,-2.4 4,-0.3 1,-0.2 3,-0.2 0.891 110.5 52.5 -63.9 -37.1 -6.2 67.1 135.0 36 36 A F H >< S+ 0 0 7 -4,-2.1 3,-1.5 1,-0.2 7,-0.3 0.944 109.2 46.9 -63.6 -48.1 -5.6 68.3 138.5 37 37 A F H 3< S+ 0 0 0 -4,-2.3 7,-2.4 1,-0.3 11,-0.2 0.692 108.2 58.4 -72.9 -13.6 -5.0 72.0 137.5 38 38 A D T 3< S+ 0 0 72 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.428 80.4 117.4 -87.8 -6.5 -8.1 71.8 135.2 39 39 A R S X> S- 0 0 105 -3,-1.5 4,-2.2 -4,-0.3 3,-2.0 -0.378 76.4-123.1 -61.4 148.0 -10.3 70.9 138.2 40 40 A D T 34 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.758 113.7 50.6 -64.1 -20.6 -13.0 73.5 138.9 41 41 A D T 34 S+ 0 0 99 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.254 120.6 34.2-100.3 10.4 -11.6 73.8 142.5 42 42 A V T <4 S+ 0 0 36 -3,-2.0 -2,-0.2 -6,-0.1 -5,-0.1 0.579 77.3 172.9-123.3 -65.7 -8.1 74.4 141.2 43 43 A A < + 0 0 48 -4,-2.2 2,-0.5 -7,-0.3 -5,-0.2 0.909 19.2 141.3 61.3 53.2 -8.6 76.2 138.0 44 44 A L > + 0 0 17 -7,-2.4 4,-2.4 1,-0.1 -1,-0.2 -0.820 21.6 176.2-121.9 80.7 -5.1 77.2 136.9 45 45 A H H > S+ 0 0 96 -2,-0.5 4,-2.4 2,-0.2 5,-0.1 0.835 73.5 51.1 -68.0 -33.9 -5.4 76.7 133.2 46 46 A N H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 113.1 48.2 -69.1 -38.2 -2.0 77.9 132.0 47 47 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.928 111.0 51.6 -59.6 -46.8 -0.4 75.6 134.5 48 48 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -11,-0.2 -2,-0.2 0.926 109.4 49.3 -56.3 -47.7 -2.6 72.8 133.3 49 49 A E H X S+ 0 0 75 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.869 105.4 58.0 -66.9 -32.3 -1.7 73.4 129.7 50 50 A F H X S+ 0 0 22 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.936 110.7 43.0 -57.2 -48.0 2.0 73.4 130.7 51 51 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.870 111.3 54.4 -70.4 -39.1 1.7 69.9 132.1 52 52 A K H X S+ 0 0 71 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.931 109.5 48.4 -56.5 -44.9 -0.5 68.8 129.1 53 53 A E H X S+ 0 0 112 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.921 110.5 51.3 -61.7 -43.8 2.2 69.9 126.7 54 54 A H H X S+ 0 0 4 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.902 107.2 53.9 -60.4 -41.4 4.9 68.1 128.8 55 55 A S H X S+ 0 0 7 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.929 109.4 47.7 -56.8 -46.7 2.8 64.9 128.7 56 56 A H H X S+ 0 0 111 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.926 111.3 50.0 -60.5 -45.9 2.7 65.1 125.0 57 57 A E H X S+ 0 0 82 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.906 108.9 52.5 -58.9 -46.2 6.4 65.7 124.7 58 58 A E H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.886 106.7 53.1 -61.2 -38.7 7.2 62.7 127.0 59 59 A R H X S+ 0 0 102 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.913 107.6 50.7 -63.9 -36.8 5.0 60.4 124.8 60 60 A E H X S+ 0 0 105 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.917 106.5 55.9 -65.3 -39.0 7.1 61.5 121.8 61 61 A H H X S+ 0 0 30 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.895 108.9 47.9 -54.4 -44.5 10.2 60.7 123.9 62 62 A A H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 3,-0.3 0.924 108.8 52.3 -63.8 -47.8 8.8 57.2 124.3 63 63 A E H X S+ 0 0 65 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.889 104.7 56.9 -59.8 -36.6 8.0 56.8 120.6 64 64 A K H X S+ 0 0 78 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.862 105.2 51.4 -65.8 -35.2 11.5 57.8 119.6 65 65 A F H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.3 -1,-0.2 0.858 108.0 52.0 -66.3 -39.5 12.8 54.9 121.8 66 66 A M H X S+ 0 0 56 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.945 111.9 45.8 -60.6 -44.7 10.5 52.4 120.0 67 67 A K H X S+ 0 0 147 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.899 112.7 51.8 -62.6 -43.5 11.8 53.6 116.6 68 68 A Y H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 6,-0.3 0.938 106.4 53.7 -57.8 -48.9 15.4 53.4 117.9 69 69 A Q H X>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 4,-0.5 0.927 112.3 43.7 -53.0 -51.7 14.9 49.8 119.2 70 70 A N H ><5S+ 0 0 91 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.884 109.0 57.4 -63.7 -37.8 13.6 48.7 115.7 71 71 A K H 3<5S+ 0 0 138 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.878 109.6 44.8 -62.4 -32.6 16.3 50.6 113.9 72 72 A R H 3<5S- 0 0 24 -4,-2.1 -66,-0.4 -5,-0.2 -1,-0.2 0.530 120.2-107.4 -87.2 -6.7 19.0 48.7 115.8 73 73 A G T <<5S+ 0 0 2 -3,-1.0 -71,-0.4 -4,-0.5 -3,-0.2 0.561 76.0 134.0 85.3 11.6 17.3 45.3 115.4 74 74 A G < - 0 0 0 -5,-2.2 2,-0.5 -6,-0.3 -1,-0.2 -0.235 55.8-115.5 -75.6 175.0 16.2 45.1 119.0 75 75 A R - 0 0 130 -3,-0.1 2,-0.2 -2,-0.1 -58,-0.1 -0.975 18.5-126.5-123.9 122.8 12.7 44.1 119.9 76 76 A V - 0 0 47 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.444 27.3-175.1 -64.9 129.1 10.2 46.4 121.7 77 77 A V - 0 0 77 -2,-0.2 2,-0.3 -63,-0.1 -2,-0.0 -0.987 10.5-153.8-131.8 119.3 8.8 44.7 124.9 78 78 A L - 0 0 109 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.674 10.8-172.3 -95.5 147.7 6.1 46.7 126.7 79 79 A Q - 0 0 133 -2,-0.3 -2,-0.0 -62,-0.2 3,-0.0 -0.862 42.5 -68.8-125.5 169.6 5.2 46.6 130.3 80 80 A D - 0 0 129 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.236 43.4-126.6 -54.9 145.3 2.3 48.1 132.3 81 81 A I - 0 0 75 -57,-0.1 -1,-0.1 -3,-0.0 2,-0.1 -0.876 30.5-134.1 -95.2 109.0 2.4 51.9 132.6 82 82 A K - 0 0 137 -2,-0.8 -54,-0.1 1,-0.1 3,-0.1 -0.376 19.8-110.9 -65.3 142.1 2.1 52.5 136.4 83 83 A K - 0 0 135 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.245 48.1 -82.1 -65.9 158.0 -0.3 55.1 137.5 84 84 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.198 36.4-111.8 -63.2 162.4 1.2 58.3 139.0 85 85 A E S S+ 0 0 147 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.717 97.4 34.5 -64.4 -30.5 2.2 58.4 142.6 86 86 A R - 0 0 67 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.937 57.4-153.1-129.6 154.8 -0.5 60.8 143.7 87 87 A D S S+ 0 0 135 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.558 90.9 31.5 -93.4 -22.9 -4.0 61.5 142.7 88 88 A E - 0 0 87 -52,-0.0 -1,-0.2 1,-0.0 -55,-0.1 -0.981 66.6-152.4-140.3 149.6 -3.9 65.1 143.6 89 89 A W - 0 0 2 -2,-0.3 2,-2.1 -57,-0.1 6,-0.2 0.228 24.5-135.3-122.9 16.1 -1.0 67.5 143.4 90 90 A G - 0 0 27 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.432 63.3 -33.0 75.6 -75.8 -1.6 70.2 146.1 91 91 A N S > S- 0 0 21 -2,-2.1 4,-2.4 -3,-0.1 5,-0.2 -0.925 75.8 -72.5-167.6 179.7 -0.7 73.4 144.3 92 92 A T H > S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.842 127.2 48.5 -59.6 -43.4 1.6 74.8 141.6 93 93 A L H > S+ 0 0 14 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.953 111.9 47.1 -64.2 -48.8 4.6 74.6 143.9 94 94 A E H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.911 114.2 49.1 -58.3 -43.1 4.1 71.1 145.0 95 95 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -6,-0.2 -1,-0.2 0.913 110.9 48.4 -63.0 -45.8 3.4 70.0 141.4 96 96 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.886 110.4 52.5 -64.0 -38.8 6.6 71.7 140.1 97 97 A Q H X S+ 0 0 74 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.911 110.3 47.6 -59.3 -44.7 8.6 70.1 142.9 98 98 A A H X S+ 0 0 19 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.888 111.0 51.7 -64.3 -38.9 7.2 66.7 141.9 99 99 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.900 107.9 52.6 -64.8 -41.5 8.0 67.5 138.2 100 100 A L H X S+ 0 0 31 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.937 111.2 45.8 -59.1 -47.5 11.6 68.4 139.1 101 101 A Q H X S+ 0 0 113 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.896 112.2 51.3 -63.8 -40.8 12.1 65.1 140.9 102 102 A L H X S+ 0 0 17 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.930 111.0 48.3 -58.3 -47.1 10.5 63.2 138.0 103 103 A E H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.872 109.7 51.6 -62.5 -39.2 12.8 64.9 135.5 104 104 A K H X S+ 0 0 102 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.878 110.2 50.2 -64.1 -36.0 15.8 64.1 137.7 105 105 A T H X S+ 0 0 77 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.913 113.3 45.3 -64.2 -51.1 14.7 60.4 137.8 106 106 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.946 113.4 50.0 -59.9 -46.8 14.3 60.4 134.0 107 107 A N H X S+ 0 0 28 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.907 108.4 52.2 -59.6 -43.2 17.6 62.1 133.6 108 108 A Q H X S+ 0 0 104 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.904 109.5 49.9 -60.1 -41.4 19.4 59.7 135.9 109 109 A A H X S+ 0 0 25 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.893 110.7 49.4 -62.8 -40.2 18.0 56.8 133.9 110 110 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.904 112.5 47.7 -64.3 -42.4 19.2 58.4 130.7 111 111 A L H X S+ 0 0 73 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.893 111.0 50.9 -67.7 -38.4 22.7 58.9 132.2 112 112 A D H X S+ 0 0 96 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.898 109.8 50.2 -65.7 -39.5 22.7 55.3 133.5 113 113 A L H X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.893 108.8 53.0 -66.7 -38.0 21.8 54.1 130.0 114 114 A H H X S+ 0 0 38 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.923 108.0 50.2 -61.7 -41.2 24.7 56.2 128.6 115 115 A K H X S+ 0 0 60 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.895 111.4 48.8 -61.9 -40.3 27.1 54.6 131.0 116 116 A L H X S+ 0 0 40 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.933 111.1 49.3 -64.7 -47.1 25.9 51.2 129.9 117 117 A A H <>S+ 0 0 0 -4,-2.7 5,-2.7 2,-0.2 4,-0.2 0.882 111.8 50.0 -58.7 -42.1 26.3 52.1 126.3 118 118 A T H ><5S+ 0 0 73 -4,-2.4 3,-1.3 3,-0.2 -2,-0.2 0.933 110.1 49.8 -59.5 -48.9 29.8 53.4 127.0 119 119 A D H 3<5S+ 0 0 115 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.857 112.9 46.3 -58.8 -39.9 30.6 50.2 128.8 120 120 A K T 3<5S- 0 0 71 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.361 113.9-118.8 -86.8 2.1 29.4 48.1 125.9 121 121 A V T < 5 + 0 0 108 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.945 59.7 151.7 59.9 56.4 31.3 50.3 123.4 122 122 A D >< + 0 0 4 -5,-2.7 4,-2.1 1,-0.1 -1,-0.2 -0.814 15.8 172.1-118.1 85.5 28.0 51.5 121.6 123 123 A P H > S+ 0 0 89 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.811 76.1 59.7 -68.1 -29.8 28.8 54.9 120.1 124 124 A H H > S+ 0 0 84 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.924 107.9 44.2 -63.2 -44.0 25.5 55.1 118.2 125 125 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.925 112.9 52.5 -68.1 -39.4 23.5 54.7 121.4 126 126 A C H X S+ 0 0 13 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.956 111.3 46.9 -57.4 -49.9 25.7 57.2 123.2 127 127 A D H X S+ 0 0 90 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.888 109.3 54.3 -60.3 -43.1 25.2 59.7 120.3 128 128 A F H X S+ 0 0 24 -4,-2.3 4,-2.2 2,-0.2 5,-0.4 0.943 111.7 44.4 -56.6 -47.7 21.4 59.1 120.3 129 129 A L H X>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 4,-2.0 0.939 117.2 45.2 -62.8 -46.1 21.2 59.9 124.0 130 130 A E H <>S+ 0 0 102 -4,-2.7 5,-0.6 -5,-0.2 -1,-0.2 0.867 119.4 40.3 -66.4 -36.7 23.4 63.0 123.7 131 131 A S H <5S+ 0 0 66 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.744 129.2 24.3 -87.2 -25.9 21.8 64.4 120.6 132 132 A E H <5S+ 0 0 80 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.600 132.0 16.5-115.4 -18.6 18.1 63.7 121.4 133 133 A Y T X5S+ 0 0 5 -4,-2.0 4,-2.2 -5,-0.4 -3,-0.2 0.738 104.7 62.1-124.0 -48.4 17.7 63.4 125.2 134 134 A L H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.922 109.6 49.6 -60.5 -38.1 16.5 68.5 126.4 137 137 A E H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.918 108.9 50.6 -64.8 -48.0 16.6 67.2 130.0 138 138 A V H X S+ 0 0 81 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.918 112.5 47.8 -56.4 -46.5 19.1 69.8 131.2 139 139 A K H X S+ 0 0 101 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.929 112.9 47.4 -60.4 -44.1 16.9 72.6 129.7 140 140 A D H X S+ 0 0 6 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.907 111.7 50.1 -66.0 -46.0 13.7 71.2 131.2 141 141 A I H X S+ 0 0 31 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.918 111.4 49.1 -58.5 -45.1 15.2 70.8 134.6 142 142 A K H X S+ 0 0 126 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.919 110.8 50.3 -59.3 -47.0 16.6 74.4 134.5 143 143 A R H X S+ 0 0 85 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.918 112.9 45.8 -58.3 -45.6 13.2 75.7 133.5 144 144 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.909 111.9 50.8 -67.9 -41.1 11.4 73.9 136.3 145 145 A G H X S+ 0 0 22 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.929 109.3 51.2 -59.6 -43.3 13.9 74.9 138.9 146 146 A D H X S+ 0 0 68 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.897 110.0 50.5 -58.9 -46.4 13.6 78.6 137.7 147 147 A F H X S+ 0 0 29 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.928 108.7 51.8 -58.1 -46.9 9.7 78.2 138.1 148 148 A I H X S+ 0 0 14 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.924 108.1 51.4 -55.4 -49.3 10.2 76.8 141.7 149 149 A T H X S+ 0 0 77 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.927 112.4 46.1 -54.3 -44.3 12.4 79.7 142.6 150 150 A N H X S+ 0 0 55 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.878 109.9 53.2 -69.7 -36.6 9.7 82.1 141.4 151 151 A L H <>S+ 0 0 0 -4,-2.8 5,-2.4 2,-0.2 -1,-0.2 0.907 110.9 47.7 -63.3 -41.8 6.8 80.2 143.1 152 152 A K H ><5S+ 0 0 125 -4,-2.5 3,-1.7 -5,-0.2 -2,-0.2 0.938 110.4 51.1 -62.6 -44.4 8.8 80.5 146.4 153 153 A R H 3<5S+ 0 0 174 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.866 105.8 57.8 -59.8 -33.7 9.4 84.2 145.8 154 154 A L T 3<5S- 0 0 49 -4,-2.0 8,-0.3 -5,-0.1 -1,-0.3 0.405 123.0-105.4 -76.5 -4.9 5.6 84.6 145.2 155 155 A G T X>5 - 0 0 26 -3,-1.7 4,-2.2 1,-0.2 3,-0.5 0.631 53.3-158.6 91.7 11.8 4.9 83.2 148.6 156 156 A L T 34< + 0 0 11 -5,-2.4 -1,-0.2 1,-0.3 4,-0.0 -0.425 62.6 24.3 -65.4 149.7 3.6 79.7 147.7 157 157 A P T 34 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 -0.984 131.5 34.8 -83.4 -13.8 2.0 77.8 149.1 158 158 A E T <4 S+ 0 0 165 -3,-0.5 2,-1.3 1,-0.1 -2,-0.2 0.800 99.5 79.7 -73.3 -31.9 0.2 80.2 151.3 159 159 A N X + 0 0 76 -4,-2.2 4,-1.9 1,-0.2 5,-0.1 -0.616 49.6 177.5 -92.3 96.4 -0.0 83.2 148.9 160 160 A G H > S+ 0 0 47 -2,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.845 81.6 57.8 -62.2 -35.9 -2.9 82.6 146.5 161 161 A M H > S+ 0 0 138 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.933 105.7 50.8 -58.6 -43.9 -2.4 85.9 144.9 162 162 A G H > S+ 0 0 2 -8,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.917 108.7 51.1 -62.5 -40.6 1.1 84.9 144.1 163 163 A E H X S+ 0 0 29 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.917 110.5 49.1 -61.5 -43.8 -0.1 81.6 142.6 164 164 A Y H X S+ 0 0 135 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.940 109.3 52.1 -58.0 -47.4 -2.6 83.4 140.4 165 165 A L H X S+ 0 0 68 -4,-2.6 4,-1.6 1,-0.2 5,-0.3 0.901 107.4 53.1 -60.8 -39.7 0.1 85.9 139.2 166 166 A F H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 3,-0.4 0.941 107.9 49.7 -61.2 -46.4 2.4 83.0 138.2 167 167 A D H < S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.873 115.8 44.3 -60.4 -32.8 -0.3 81.4 136.1 168 168 A K H < S+ 0 0 111 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.658 127.8 22.4 -87.8 -16.9 -0.9 84.7 134.4 169 169 A H H < S+ 0 0 118 -4,-1.6 -3,-0.2 -3,-0.4 -2,-0.2 0.556 119.6 45.7-128.8 -13.0 2.7 85.8 133.8 170 170 A S S < S+ 0 0 26 -4,-2.7 -23,-0.0 -5,-0.3 -124,-0.0 -0.465 86.9 65.3-114.9-167.9 5.0 82.7 133.8 171 171 A V 0 0 17 -2,-0.2 -1,-0.2 1,-0.1 -122,-0.1 0.834 360.0 360.0 44.0 77.7 4.1 79.5 131.9 172 172 A K 0 0 227 -3,-0.1 -1,-0.1 -122,-0.0 -2,-0.1 0.557 360.0 360.0-122.1 360.0 4.2 81.0 128.6