==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-JUN-11 3SE1 . COMPND 2 MOLECULE: FERRITIN, MIDDLE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: RANA CATESBEIANA; . AUTHOR T.TOSHA,H.L.NG,T.ALBER,E.C.THEIL . 166 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9317.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 77.7 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 . 4 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.6 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 2 1 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 9 A H 0 0 136 0, 0.0 65,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -15.7 52.7 165.1 150.6 2 10 A S > - 0 0 60 1,-0.1 4,-2.4 2,-0.0 5,-0.2 -0.254 360.0-135.2 -48.1 136.8 49.7 162.7 150.7 3 11 A D H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.932 110.6 47.8 -63.4 -41.5 47.6 162.1 147.3 4 12 A C H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.852 108.9 54.4 -66.4 -37.0 44.4 162.4 149.5 5 13 A E H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.955 112.0 41.6 -59.0 -48.3 45.7 165.5 151.1 6 14 A A H X S+ 0 0 37 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.897 112.9 55.2 -62.3 -37.5 46.4 167.2 147.7 7 15 A A H X S+ 0 0 10 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.862 106.7 50.4 -63.7 -42.2 43.0 165.9 146.4 8 16 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.896 108.5 52.2 -63.6 -42.5 41.2 167.6 149.3 9 17 A N H X S+ 0 0 18 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.912 111.5 47.7 -60.5 -36.5 43.0 170.9 148.6 10 18 A R H X S+ 0 0 158 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.916 110.7 50.4 -68.9 -42.8 41.9 170.6 145.0 11 19 A M H X S+ 0 0 7 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.919 108.9 51.5 -60.8 -42.7 38.3 169.8 146.0 12 20 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.921 109.6 51.6 -62.9 -44.5 38.3 172.8 148.4 13 21 A N H X S+ 0 0 39 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.925 109.0 50.1 -60.7 -41.9 39.5 175.0 145.5 14 22 A L H X S+ 0 0 35 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.887 107.9 52.1 -64.4 -40.1 36.7 173.7 143.3 15 23 A E H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.934 110.3 49.1 -61.2 -40.3 34.0 174.4 145.9 16 24 A L H X S+ 0 0 13 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.923 111.0 50.7 -66.0 -41.3 35.3 178.0 146.2 17 25 A Y H X S+ 0 0 56 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.937 110.8 48.6 -58.6 -44.6 35.2 178.2 142.3 18 26 A A H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.924 109.5 52.0 -67.1 -44.7 31.6 177.0 142.4 19 27 A S H X S+ 0 0 11 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.933 109.8 50.5 -57.7 -42.2 30.6 179.5 145.1 20 28 A Y H X S+ 0 0 119 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.893 108.1 51.7 -67.8 -41.0 32.1 182.3 143.0 21 29 A T H X S+ 0 0 6 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.946 109.7 49.5 -59.7 -47.6 30.2 181.3 139.9 22 30 A Y H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.876 107.2 55.0 -57.5 -40.1 27.0 181.3 141.8 23 31 A S H X S+ 0 0 40 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.900 106.9 52.0 -59.5 -39.6 27.9 184.7 143.2 24 32 A S H X S+ 0 0 26 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.912 107.7 50.4 -61.2 -40.2 28.2 185.9 139.5 25 33 A M H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.917 109.1 52.7 -65.4 -44.2 24.8 184.5 138.7 26 34 A Y H X S+ 0 0 64 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.961 109.9 48.6 -51.6 -53.7 23.4 186.4 141.7 27 35 A A H < S+ 0 0 53 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.886 110.6 51.2 -60.1 -36.9 24.9 189.6 140.5 28 36 A F H >< S+ 0 0 19 -4,-1.9 3,-1.3 1,-0.2 7,-0.3 0.915 108.8 48.4 -66.6 -50.9 23.6 189.2 137.0 29 37 A F H 3< S+ 0 0 0 -4,-2.3 7,-2.3 1,-0.2 11,-0.2 0.685 107.1 59.3 -66.9 -15.7 20.0 188.5 138.0 30 38 A D T 3< S+ 0 0 75 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.472 80.6 116.4 -82.6 -11.2 20.2 191.6 140.3 31 39 A R S X> S- 0 0 116 -3,-1.3 4,-2.1 -4,-0.3 3,-1.6 -0.260 76.6-121.4 -64.9 151.2 20.9 193.8 137.4 32 40 A D T 34 S+ 0 0 150 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.734 114.0 47.2 -69.1 -19.0 18.4 196.5 136.5 33 41 A D T 34 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.174 122.5 35.0-105.7 13.7 18.0 195.1 132.9 34 42 A V T <4 S+ 0 0 35 -3,-1.6 -2,-0.2 -6,-0.1 -5,-0.1 0.564 77.8 169.5-123.4 -66.7 17.6 191.6 134.2 35 43 A A < + 0 0 48 -4,-2.1 2,-0.5 -7,-0.3 -5,-0.2 0.901 18.3 140.4 60.9 54.5 15.7 192.1 137.4 36 44 A L > + 0 0 15 -7,-2.3 4,-2.3 1,-0.1 -1,-0.2 -0.793 23.0 176.5-122.5 86.4 14.7 188.6 138.5 37 45 A H H > S+ 0 0 87 -2,-0.5 4,-2.5 2,-0.2 5,-0.2 0.811 72.6 51.7 -73.7 -30.9 15.3 189.0 142.2 38 46 A N H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 112.4 47.5 -68.0 -40.7 14.0 185.6 143.5 39 47 A V H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.915 111.7 52.3 -63.0 -43.3 16.2 183.9 140.9 40 48 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -11,-0.2 -2,-0.2 0.940 110.3 46.6 -57.2 -46.5 19.1 186.2 142.1 41 49 A E H X S+ 0 0 54 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.847 106.7 59.1 -71.9 -31.3 18.6 185.2 145.7 42 50 A F H X S+ 0 0 27 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.956 110.6 42.3 -59.8 -45.1 18.4 181.5 144.8 43 51 A F H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.893 110.3 56.4 -75.1 -31.9 21.9 181.7 143.3 44 52 A K H X S+ 0 0 71 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.901 108.1 49.1 -61.7 -45.0 23.2 183.8 146.3 45 53 A E H X S+ 0 0 86 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.910 109.8 50.9 -64.3 -40.9 22.0 181.0 148.7 46 54 A H H X S+ 0 0 3 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.896 107.8 53.5 -63.6 -36.1 23.8 178.4 146.5 47 55 A S H X S+ 0 0 3 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.926 109.4 47.2 -62.5 -42.6 27.0 180.6 146.7 48 56 A H H X S+ 0 0 108 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.930 111.2 52.7 -66.5 -41.9 26.9 180.7 150.5 49 57 A E H X S+ 0 0 75 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.920 108.9 49.1 -57.7 -45.4 26.3 176.8 150.6 50 58 A E H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.835 108.9 52.4 -69.1 -35.1 29.3 176.1 148.4 51 59 A R H X S+ 0 0 104 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.905 108.8 50.8 -64.6 -38.9 31.5 178.4 150.6 52 60 A E H X S+ 0 0 120 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.921 108.1 53.3 -63.2 -38.1 30.3 176.4 153.6 53 61 A H H X S+ 0 0 20 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.870 108.0 50.1 -65.4 -39.0 31.2 173.2 151.8 54 62 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 3,-0.3 0.911 109.0 52.0 -61.4 -48.0 34.8 174.7 151.2 55 63 A E H X S+ 0 0 91 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.905 105.3 56.0 -62.6 -33.4 35.1 175.5 154.9 56 64 A K H X S+ 0 0 70 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.863 105.3 50.8 -63.2 -39.9 34.1 171.9 155.8 57 65 A F H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.3 -1,-0.2 0.862 108.2 53.6 -65.5 -35.6 37.0 170.6 153.7 58 66 A M H X S+ 0 0 47 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.948 111.4 45.8 -60.7 -46.1 39.4 173.0 155.5 59 67 A K H X S+ 0 0 139 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.909 112.2 49.7 -61.8 -43.9 38.2 171.6 158.8 60 68 A Y H X S+ 0 0 9 -4,-2.3 4,-2.0 2,-0.2 6,-0.2 0.929 109.3 52.9 -59.2 -46.8 38.5 168.0 157.6 61 69 A Q H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 4,-0.3 0.923 112.4 44.6 -54.9 -47.8 42.1 168.6 156.3 62 70 A N H ><5S+ 0 0 107 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.875 112.3 50.2 -69.5 -38.1 43.2 170.0 159.6 63 71 A K H 3<5S+ 0 0 162 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.858 108.3 55.6 -68.1 -27.6 41.5 167.2 161.6 64 72 A D T 3<5S- 0 0 71 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.440 118.6-113.5 -82.6 -6.3 43.2 164.7 159.4 65 73 A G T < 5S+ 0 0 70 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.542 77.5 126.1 75.7 11.7 46.6 166.3 160.2 66 74 A G < - 0 0 13 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.2 -0.274 61.3-108.9 -82.8 179.9 47.0 167.5 156.6 67 75 A R - 0 0 186 -3,-0.1 2,-0.4 -2,-0.1 -58,-0.1 -0.960 18.0-129.6-120.7 130.0 47.8 171.1 155.5 68 76 A V - 0 0 38 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.613 28.8-175.3 -69.1 122.5 45.3 173.4 153.8 69 77 A V - 0 0 69 -2,-0.4 2,-0.3 -63,-0.1 -2,-0.0 -0.994 9.7-152.9-128.3 117.2 47.1 174.8 150.8 70 78 A L - 0 0 104 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.662 11.3-172.5 -98.5 149.3 45.2 177.4 148.8 71 79 A Q - 0 0 136 -2,-0.3 -2,-0.0 -62,-0.2 3,-0.0 -0.852 43.7 -65.7-126.7 169.0 45.3 178.4 145.2 72 80 A D - 0 0 125 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.177 44.0-128.0 -50.5 143.1 43.8 181.2 143.1 73 81 A I - 0 0 75 -57,-0.1 -1,-0.1 -3,-0.0 2,-0.1 -0.880 30.8-134.9 -94.8 108.3 40.0 181.2 142.9 74 82 A K - 0 0 136 -2,-0.8 3,-0.1 1,-0.1 -54,-0.1 -0.383 18.8-108.8 -71.8 144.7 39.4 181.4 139.1 75 83 A K - 0 0 144 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.295 47.9 -82.8 -62.4 155.0 36.8 183.8 137.8 76 84 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.072 36.0-114.8 -61.3 156.2 33.6 182.3 136.4 77 85 A E S S+ 0 0 141 -3,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.747 97.7 40.3 -65.6 -25.8 33.6 181.2 132.8 78 86 A R - 0 0 59 1,-0.1 3,-0.1 -57,-0.0 -1,-0.0 -0.953 57.9-156.1-126.0 149.5 31.0 183.9 131.8 79 87 A D S S+ 0 0 141 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.626 89.9 29.3 -95.1 -16.7 30.5 187.5 132.7 80 88 A E - 0 0 102 -52,-0.0 -1,-0.2 1,-0.0 -55,-0.1 -0.973 67.2-150.0-145.1 151.1 26.8 187.4 131.8 81 89 A W - 0 0 2 -2,-0.3 2,-1.9 -57,-0.1 6,-0.2 0.217 24.1-135.3-116.4 9.8 24.4 184.5 132.0 82 90 A G - 0 0 30 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.451 63.4 -35.5 80.7 -81.3 21.7 185.1 129.3 83 91 A N S > S- 0 0 22 -2,-1.9 4,-2.7 -3,-0.1 5,-0.2 -0.929 75.5 -71.6-163.0-174.3 18.5 184.3 131.1 84 92 A T H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.875 127.4 49.4 -63.6 -38.9 17.1 182.0 133.8 85 93 A L H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.965 113.0 45.4 -65.7 -49.3 17.2 178.9 131.5 86 94 A E H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.903 114.4 49.7 -62.6 -41.9 20.8 179.4 130.4 87 95 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 -6,-0.2 -1,-0.2 0.939 111.6 48.0 -64.2 -41.4 21.9 180.1 134.0 88 96 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.885 110.0 52.1 -66.3 -38.3 20.2 177.0 135.2 89 97 A Q H X S+ 0 0 76 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.922 111.8 47.0 -63.2 -43.4 21.8 174.9 132.5 90 98 A A H X S+ 0 0 19 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.905 111.1 51.6 -65.5 -35.1 25.2 176.3 133.5 91 99 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.876 107.6 53.4 -64.4 -44.1 24.4 175.6 137.2 92 100 A L H X S+ 0 0 21 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.932 110.7 46.0 -56.4 -43.5 23.5 172.0 136.3 93 101 A Q H X S+ 0 0 108 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.906 111.9 51.6 -71.7 -37.5 26.8 171.5 134.6 94 102 A L H X S+ 0 0 15 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.920 109.9 49.1 -62.5 -44.9 28.6 173.1 137.5 95 103 A E H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.863 111.6 49.8 -63.2 -38.3 26.9 170.8 140.0 96 104 A K H X S+ 0 0 87 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.894 109.0 51.7 -68.4 -36.8 27.8 167.8 137.8 97 105 A T H X S+ 0 0 77 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.937 112.8 45.2 -62.7 -42.2 31.4 168.9 137.6 98 106 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.936 112.7 52.2 -68.5 -44.2 31.6 169.2 141.4 99 107 A N H X S+ 0 0 25 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.931 108.7 48.8 -57.6 -45.6 29.8 165.9 141.8 100 108 A Q H X S+ 0 0 104 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.891 110.8 51.4 -64.4 -35.8 32.3 164.1 139.5 101 109 A A H X S+ 0 0 26 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.912 110.8 48.5 -63.0 -41.6 35.2 165.6 141.5 102 110 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.913 112.5 48.1 -65.1 -44.5 33.6 164.3 144.7 103 111 A L H X S+ 0 0 51 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.883 110.2 51.4 -67.3 -36.7 33.1 160.9 143.2 104 112 A D H X S+ 0 0 91 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.894 109.4 50.8 -63.9 -41.1 36.7 160.9 141.9 105 113 A L H X S+ 0 0 7 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.864 109.0 52.8 -62.1 -41.3 37.9 161.9 145.5 106 114 A H H X S+ 0 0 36 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.928 107.3 50.2 -62.7 -41.7 35.8 159.0 146.8 107 115 A K H X S+ 0 0 114 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.914 111.4 49.2 -61.9 -40.5 37.5 156.5 144.3 108 116 A L H X S+ 0 0 38 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.929 110.9 48.9 -62.2 -50.3 40.9 157.8 145.5 109 117 A A H <>S+ 0 0 0 -4,-2.9 5,-2.5 2,-0.2 4,-0.4 0.869 110.9 52.5 -57.2 -38.6 39.9 157.4 149.2 110 118 A T H ><5S+ 0 0 72 -4,-2.3 3,-1.2 -5,-0.2 -2,-0.2 0.971 110.9 45.8 -62.7 -48.2 38.7 153.9 148.4 111 119 A D H 3<5S+ 0 0 124 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.848 113.4 49.1 -60.8 -36.8 42.0 153.0 146.7 112 120 A K T 3<5S- 0 0 110 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.431 113.2-120.7 -84.2 0.6 43.9 154.4 149.6 113 121 A V T < 5 + 0 0 124 -3,-1.2 -3,-0.2 -4,-0.4 3,-0.1 0.984 61.0 148.8 53.4 64.2 41.7 152.5 152.1 114 122 A D >< + 0 0 35 -5,-2.5 4,-2.2 1,-0.1 3,-0.2 -0.749 14.6 169.2-124.6 76.1 40.5 155.6 153.9 115 123 A P H > S+ 0 0 96 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.820 76.0 61.6 -66.2 -30.4 36.9 154.7 155.0 116 124 A H H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.944 107.1 43.3 -59.6 -44.3 36.8 157.8 157.2 117 125 A L H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 112.0 54.7 -66.8 -40.8 37.1 160.0 154.1 118 126 A C H X S+ 0 0 14 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.955 110.7 45.8 -55.5 -47.4 34.7 157.8 152.2 119 127 A D H X S+ 0 0 89 -4,-2.9 4,-3.2 2,-0.2 5,-0.2 0.861 109.0 55.3 -61.2 -43.6 32.1 158.3 154.9 120 128 A F H X S+ 0 0 27 -4,-2.3 4,-2.5 1,-0.2 5,-0.4 0.959 111.9 43.2 -52.1 -50.1 32.7 162.1 155.1 121 129 A L H X>S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 4,-2.0 0.928 117.3 45.7 -64.0 -48.1 32.0 162.4 151.4 122 130 A E H <>S+ 0 0 97 -4,-2.4 5,-0.7 3,-0.2 -2,-0.2 0.895 120.9 39.0 -65.2 -37.5 28.9 160.1 151.5 123 131 A S H <5S+ 0 0 65 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.733 129.4 25.2 -87.2 -28.8 27.5 161.7 154.7 124 132 A E H <5S+ 0 0 75 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.534 132.5 15.9-111.7 -19.2 28.3 165.4 154.0 125 133 A Y T X5S+ 0 0 4 -4,-2.0 4,-1.9 -5,-0.4 -3,-0.2 0.764 104.8 62.9-125.7 -51.1 28.5 165.8 150.2 126 134 A L H > S+ 0 0 76 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.910 109.5 49.5 -61.5 -38.5 23.4 167.1 148.9 129 137 A Q H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.931 107.6 51.3 -69.4 -39.2 24.7 167.0 145.4 130 138 A V H X S+ 0 0 81 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.913 112.2 49.8 -61.0 -45.2 22.1 164.5 144.2 131 139 A K H X S+ 0 0 97 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.920 111.0 47.1 -58.4 -48.0 19.4 166.8 145.7 132 140 A D H X S+ 0 0 11 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.920 112.4 50.3 -64.6 -41.7 20.8 170.0 144.0 133 141 A I H X S+ 0 0 35 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.924 112.3 47.6 -62.6 -46.2 21.1 168.2 140.6 134 142 A K H X S+ 0 0 121 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.905 112.7 48.3 -58.7 -50.6 17.5 167.0 140.8 135 143 A R H X S+ 0 0 72 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.931 114.0 45.2 -64.8 -41.2 16.2 170.4 141.8 136 144 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.901 113.1 51.7 -65.2 -40.0 18.0 172.2 139.0 137 145 A G H X S+ 0 0 22 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.898 108.9 49.9 -56.1 -48.4 16.9 169.5 136.5 138 146 A D H X S+ 0 0 67 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.900 110.2 51.2 -58.8 -43.8 13.4 169.9 137.6 139 147 A F H X S+ 0 0 20 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.935 108.1 52.4 -60.8 -42.3 13.8 173.8 137.1 140 148 A I H X S+ 0 0 14 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.916 108.1 50.9 -62.2 -46.9 15.2 173.3 133.6 141 149 A T H X S+ 0 0 76 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.923 113.2 46.0 -55.8 -43.5 12.2 171.2 132.7 142 150 A N H X S+ 0 0 54 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.884 109.2 53.0 -67.3 -34.8 9.9 173.8 134.0 143 151 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 -2,-0.2 0.873 111.3 48.3 -69.1 -39.1 11.7 176.7 132.2 144 152 A K H ><5S+ 0 0 125 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.945 111.2 50.0 -62.5 -49.9 11.4 174.7 128.9 145 153 A R H 3<5S+ 0 0 173 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.875 106.4 56.4 -55.4 -36.6 7.7 174.1 129.6 146 154 A L T 3<5S- 0 0 51 -4,-2.0 8,-0.3 -5,-0.1 -1,-0.3 0.409 122.3-106.8 -77.3 -4.2 7.3 177.9 130.3 147 155 A G T X>5 - 0 0 25 -3,-1.9 4,-2.1 1,-0.2 3,-0.6 0.639 51.9-157.2 86.5 16.6 8.7 178.6 126.9 148 156 A L T 34< + 0 0 11 -5,-2.4 -1,-0.2 1,-0.3 4,-0.0 -0.380 63.6 24.4 -66.5 147.9 12.1 180.0 127.7 149 157 A P T 34 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 -0.990 130.9 35.9 -87.7 -11.8 14.0 181.6 126.3 150 158 A E T <4 S+ 0 0 161 -3,-0.6 2,-1.3 1,-0.1 -2,-0.2 0.786 99.2 79.0 -71.9 -31.7 11.4 183.4 124.2 151 159 A N X + 0 0 75 -4,-2.1 4,-1.8 1,-0.2 5,-0.2 -0.616 49.9 176.5 -87.7 93.4 8.5 183.6 126.6 152 160 A G H > S+ 0 0 45 -2,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.861 80.4 58.1 -69.6 -33.3 9.3 186.4 129.0 153 161 A M H > S+ 0 0 135 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.937 107.1 50.0 -57.2 -43.5 5.9 186.0 130.8 154 162 A G H > S+ 0 0 3 -8,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.906 109.7 49.3 -63.3 -40.0 7.0 182.5 131.6 155 163 A E H X S+ 0 0 29 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.907 111.3 49.8 -65.4 -41.3 10.3 183.6 132.9 156 164 A Y H X S+ 0 0 138 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.913 111.7 48.8 -59.7 -46.7 8.5 186.2 135.1 157 165 A L H X S+ 0 0 66 -4,-2.4 4,-2.2 1,-0.2 3,-0.3 0.873 105.7 57.1 -62.5 -40.7 6.2 183.5 136.4 158 166 A F H X>S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 5,-0.9 0.908 104.8 52.8 -57.9 -45.3 9.1 181.1 137.2 159 167 A D H <5S+ 0 0 6 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.800 113.8 43.5 -61.2 -35.8 10.6 183.8 139.4 160 168 A K H <5S+ 0 0 77 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.809 128.1 22.2 -74.5 -38.3 7.3 184.1 141.3 161 169 A H H <5S+ 0 0 152 -4,-2.2 -2,-0.2 3,-0.1 -3,-0.2 0.663 119.0 46.8-109.5 -29.9 6.4 180.5 141.7 162 170 A S T <5S+ 0 0 45 -4,-2.7 2,-0.3 -5,-0.3 -3,-0.2 0.815 106.6 49.7 -92.6 -29.0 9.4 178.2 141.5 163 171 A V S