==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-MAY-06 2CN6 . COMPND 2 MOLECULE: FERRITIN HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.TOUSSAINT,R.R.CRICHTON,J.P.DECLERCQ . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 78.5 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 . 8 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 65.7 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 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 0 168 0, 0.0 73,-0.1 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 125.0 23.8 -18.9 53.9 2 6 A S - 0 0 25 71,-0.5 3,-0.5 1,-0.1 73,-0.0 -0.144 360.0-125.3 -52.4 143.2 21.4 -17.9 51.2 3 7 A Q S S+ 0 0 195 1,-0.2 -1,-0.1 3,-0.0 70,-0.0 0.740 113.6 46.1 -61.9 -23.6 18.0 -19.6 50.8 4 8 A V S S+ 0 0 81 69,-0.0 -1,-0.2 2,-0.0 2,-0.1 0.615 81.9 118.8 -96.2 -14.0 18.9 -20.4 47.2 5 9 A R + 0 0 65 -3,-0.5 2,-0.3 68,-0.2 68,-0.1 -0.322 32.4 155.3 -61.4 124.9 22.5 -21.7 47.8 6 10 A Q - 0 0 160 66,-0.5 3,-0.1 -2,-0.1 -3,-0.0 -0.915 65.5 -8.3-154.7 128.1 22.9 -25.3 46.7 7 11 A N S S+ 0 0 93 -2,-0.3 2,-0.7 1,-0.2 117,-0.1 0.746 91.1 135.8 59.7 28.8 26.0 -27.2 45.6 8 12 A Y - 0 0 11 64,-0.1 -1,-0.2 4,-0.0 2,-0.1 -0.872 45.4-146.7-117.9 98.0 28.0 -24.0 45.6 9 13 A H >> - 0 0 75 -2,-0.7 4,-2.3 1,-0.1 3,-0.8 -0.348 18.7-126.2 -66.2 137.8 31.4 -24.3 47.3 10 14 A Q H 3> S+ 0 0 147 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.774 113.4 55.6 -42.5 -38.9 33.0 -21.4 49.2 11 15 A D H 3> S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.826 107.1 48.7 -70.8 -36.8 36.1 -21.8 47.0 12 16 A S H <> S+ 0 0 0 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.915 108.3 53.7 -68.8 -45.2 33.9 -21.4 43.8 13 17 A E H X S+ 0 0 27 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.928 112.8 44.8 -51.5 -47.2 32.2 -18.3 45.2 14 18 A A H X S+ 0 0 38 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.856 109.8 54.0 -68.1 -38.7 35.7 -16.8 45.8 15 19 A A H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.858 107.1 52.3 -62.5 -34.7 36.9 -17.9 42.4 16 20 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.904 107.7 51.8 -70.4 -40.2 33.9 -16.1 40.8 17 21 A N H X S+ 0 0 22 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.862 110.5 47.8 -62.5 -40.9 34.8 -12.9 42.7 18 22 A R H X S+ 0 0 158 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.893 111.8 50.0 -64.8 -41.4 38.4 -13.1 41.4 19 23 A Q H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.906 106.5 55.8 -64.4 -40.9 37.2 -13.7 37.8 20 24 A I H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.950 109.7 46.9 -52.6 -47.4 34.8 -10.7 38.1 21 25 A N H X S+ 0 0 38 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.892 110.6 52.0 -62.5 -41.4 37.8 -8.5 39.0 22 26 A L H X S+ 0 0 40 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.870 108.9 49.5 -67.1 -36.6 39.8 -9.9 36.2 23 27 A E H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.906 112.2 48.4 -65.2 -41.8 37.1 -9.1 33.6 24 28 A L H X S+ 0 0 28 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.918 111.3 51.6 -65.1 -42.0 36.8 -5.5 35.0 25 29 A Y H X S+ 0 0 44 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.926 108.6 48.9 -59.4 -46.2 40.5 -5.3 34.7 26 30 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.911 109.4 54.4 -61.4 -39.9 40.5 -6.5 31.1 27 31 A S H X S+ 0 0 16 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.857 109.4 48.0 -56.5 -38.8 37.8 -3.9 30.4 28 32 A Y H X S+ 0 0 101 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.885 109.1 51.6 -73.8 -43.6 40.1 -1.2 31.8 29 33 A V H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.945 112.2 47.3 -53.8 -49.4 43.1 -2.4 29.8 30 34 A Y H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.854 110.2 52.3 -67.0 -35.1 41.0 -2.2 26.6 31 35 A L H X S+ 0 0 62 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.895 110.7 47.9 -63.0 -44.0 39.6 1.2 27.5 32 36 A S H X S+ 0 0 30 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.941 113.4 47.8 -61.1 -48.2 43.2 2.5 28.0 33 37 A M H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.910 108.6 56.4 -60.2 -45.4 44.3 1.0 24.7 34 38 A S H X S+ 0 0 2 -4,-2.8 4,-0.8 1,-0.2 3,-0.3 0.947 110.3 41.6 -50.0 -54.6 41.2 2.5 23.0 35 39 A Y H < S+ 0 0 123 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.763 105.4 65.5 -75.9 -17.8 42.0 6.1 24.0 36 40 A Y H >< S+ 0 0 19 -4,-1.8 3,-1.4 1,-0.2 7,-0.3 0.952 104.7 45.6 -60.0 -44.9 45.7 5.6 23.3 37 41 A F H 3< S+ 0 0 0 -4,-1.7 7,-2.0 -3,-0.3 -1,-0.2 0.670 104.6 62.6 -75.8 -15.5 44.8 5.2 19.6 38 42 A D T 3< S+ 0 0 100 -4,-0.8 -1,-0.3 5,-0.2 -2,-0.2 0.477 79.8 113.2 -81.1 -7.6 42.5 8.2 19.9 39 43 A R S X> S- 0 0 93 -3,-1.4 4,-2.3 -4,-0.4 3,-1.8 -0.394 77.8-123.1 -63.5 147.4 45.6 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 0.699 112.4 53.1 -66.5 -22.0 46.4 13.0 17.9 41 45 A D T 34 S+ 0 0 95 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.197 120.8 30.7 -99.3 12.5 49.9 11.6 17.6 42 46 A V T <4 S+ 0 0 33 -3,-1.8 -2,-0.2 -5,-0.1 -5,-0.1 0.510 78.3 174.7-125.5 -62.3 48.6 8.0 17.1 43 47 A A < + 0 0 66 -4,-2.3 2,-0.6 -7,-0.3 -5,-0.2 0.863 17.8 145.4 63.7 49.3 45.3 8.6 15.3 44 48 A L > - 0 0 16 -7,-2.0 4,-2.3 1,-0.1 -1,-0.2 -0.845 22.4-177.5-116.8 94.9 44.1 5.2 14.5 45 49 A K H > S+ 0 0 160 -2,-0.6 4,-2.3 1,-0.2 -1,-0.1 0.742 78.4 49.1 -70.8 -29.6 40.3 5.5 14.9 46 50 A N H > S+ 0 0 24 2,-0.2 4,-3.1 3,-0.2 -1,-0.2 0.874 109.4 51.2 -82.6 -35.6 39.4 1.9 14.1 47 51 A F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.937 112.9 49.5 -54.1 -45.0 42.0 0.5 16.5 48 52 A A H X S+ 0 0 9 -4,-2.3 4,-1.9 -11,-0.2 -2,-0.2 0.921 114.0 42.8 -60.9 -49.6 40.4 2.9 19.0 49 53 A K H X S+ 0 0 144 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.909 111.9 56.0 -62.7 -43.0 36.8 1.7 18.2 50 54 A Y H X S+ 0 0 30 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.946 111.7 40.7 -53.4 -54.6 37.9 -1.9 18.1 51 55 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.811 111.5 57.3 -67.8 -30.4 39.4 -1.8 21.7 52 56 A L H X S+ 0 0 46 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.916 107.4 48.8 -63.4 -42.5 36.4 0.3 22.9 53 57 A H H X S+ 0 0 99 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.923 111.3 49.1 -61.1 -44.8 34.1 -2.5 21.8 54 58 A Q H X S+ 0 0 16 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.901 108.8 54.4 -60.8 -38.3 36.3 -5.0 23.5 55 59 A S H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.936 109.6 46.6 -60.1 -49.3 36.3 -2.9 26.7 56 60 A H H X S+ 0 0 106 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.882 110.7 52.7 -59.0 -42.8 32.5 -2.8 26.7 57 61 A E H X S+ 0 0 80 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.907 109.1 49.6 -61.4 -42.6 32.3 -6.6 26.1 58 62 A E H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.934 109.0 51.0 -62.9 -43.5 34.6 -7.3 29.1 59 63 A R H X S+ 0 0 130 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.929 110.0 51.2 -60.4 -42.9 32.5 -5.1 31.4 60 64 A E H X S+ 0 0 100 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.876 107.7 52.4 -62.9 -38.0 29.5 -7.0 30.2 61 65 A H H X S+ 0 0 29 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.874 108.1 51.5 -61.3 -39.5 31.3 -10.3 31.0 62 66 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.945 110.1 49.7 -59.6 -45.9 32.0 -9.0 34.5 63 67 A E H X S+ 0 0 66 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.853 107.6 52.8 -62.6 -39.2 28.3 -8.2 34.9 64 68 A K H X S+ 0 0 76 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.828 109.4 50.0 -65.3 -34.1 27.2 -11.6 33.8 65 69 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.847 108.9 51.9 -73.6 -33.7 29.5 -13.2 36.4 66 70 A M H X S+ 0 0 50 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.887 109.3 50.4 -64.0 -39.5 28.0 -10.9 39.0 67 71 A K H X S+ 0 0 129 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.916 111.2 48.7 -62.5 -44.4 24.6 -12.1 37.9 68 72 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 6,-0.3 0.889 106.7 55.6 -65.3 -43.5 25.8 -15.7 38.2 69 73 A Q H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 4,-0.5 0.959 112.6 42.5 -55.3 -49.7 27.2 -15.1 41.7 70 74 A N H ><5S+ 0 0 84 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.879 108.9 58.5 -66.6 -37.4 23.8 -13.9 42.9 71 75 A Q H 3<5S+ 0 0 109 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.848 110.0 44.3 -55.8 -33.9 21.9 -16.6 41.1 72 76 A R T 3<5S- 0 0 24 -4,-1.8 -66,-0.5 -3,-0.3 -1,-0.2 0.434 120.0-108.1 -93.7 -6.7 23.8 -19.3 43.0 73 77 A G T < 5S+ 0 0 2 -3,-1.0 -71,-0.5 -4,-0.5 -3,-0.2 0.615 72.0 140.4 87.4 12.3 23.5 -17.4 46.3 74 78 A G < - 0 0 0 -5,-2.3 2,-0.5 -6,-0.3 -1,-0.3 -0.307 52.7-116.1 -75.0 168.9 27.1 -16.4 46.5 75 79 A R - 0 0 119 -2,-0.1 2,-0.4 -3,-0.1 -58,-0.1 -0.944 21.7-128.0-116.1 126.0 28.1 -12.9 47.8 76 80 A I - 0 0 41 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.548 24.4-176.6 -72.5 125.0 29.8 -10.4 45.5 77 81 A F - 0 0 130 -2,-0.4 2,-0.2 -63,-0.1 -2,-0.0 -0.959 12.2-156.8-124.3 114.4 32.9 -9.0 46.9 78 82 A L - 0 0 100 -2,-0.5 2,-0.3 -58,-0.1 -60,-0.1 -0.590 6.1-163.1 -91.3 150.9 34.4 -6.3 44.6 79 83 A Q - 0 0 132 -2,-0.2 -2,-0.0 -62,-0.2 -1,-0.0 -0.843 37.0 -73.8-124.1 163.7 38.1 -5.3 44.6 80 84 A D - 0 0 122 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.209 43.9-125.7 -47.3 144.0 40.0 -2.3 43.2 81 85 A I - 0 0 75 -57,-0.1 -1,-0.1 -3,-0.1 -59,-0.1 -0.921 30.7-133.2 -95.2 112.0 40.4 -2.3 39.4 82 86 A Q - 0 0 119 -2,-0.7 -54,-0.1 1,-0.1 3,-0.1 -0.334 18.2-109.6 -66.9 142.6 44.1 -2.0 38.9 83 87 A K - 0 0 125 1,-0.1 -1,-0.1 2,-0.1 -54,-0.1 -0.370 46.5 -91.6 -64.9 148.4 45.3 0.5 36.4 84 88 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.249 31.5-113.2 -59.4 157.1 46.8 -1.1 33.3 85 89 A D S S+ 0 0 145 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.740 98.7 44.5 -58.9 -29.0 50.6 -1.8 33.1 86 90 A C - 0 0 46 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.906 46.6-175.4-124.0 148.0 51.1 0.8 30.4 87 91 A D S S+ 0 0 118 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.614 90.0 47.7-100.6 -31.0 49.9 4.3 29.7 88 92 A D - 0 0 79 1,-0.1 -1,-0.2 -52,-0.0 -55,-0.1 -0.960 66.3-168.1-116.5 117.9 51.5 4.4 26.3 89 93 A W - 0 0 10 -2,-0.5 2,-2.1 -57,-0.1 9,-0.1 0.417 22.8-144.9 -96.1 4.3 50.9 1.3 24.1 90 94 A E - 0 0 138 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.267 61.0 -7.9 76.3 -55.0 53.6 2.1 21.4 91 95 A S S > S- 0 0 13 -2,-2.1 4,-2.2 1,-0.1 5,-0.2 -0.978 70.6 -95.6-164.4 168.2 51.9 0.8 18.3 92 96 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.909 123.4 48.7 -58.0 -47.1 48.9 -1.1 16.8 93 97 A L H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.935 111.1 48.6 -62.6 -49.2 51.0 -4.3 16.7 94 98 A N H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.886 111.5 49.6 -60.2 -42.7 52.2 -3.9 20.3 95 99 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.913 111.8 49.0 -62.0 -41.6 48.7 -3.2 21.6 96 100 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.892 111.8 49.4 -64.8 -40.6 47.3 -6.3 19.8 97 101 A E H X S+ 0 0 57 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.920 112.0 47.8 -61.2 -47.1 50.2 -8.4 21.2 98 102 A C H X S+ 0 0 37 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.885 111.8 51.0 -58.7 -40.8 49.4 -7.1 24.7 99 103 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.912 109.3 50.1 -63.7 -44.7 45.7 -7.9 24.1 100 104 A L H X S+ 0 0 38 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.950 112.4 46.7 -59.6 -47.0 46.5 -11.4 23.0 101 105 A H H X S+ 0 0 121 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.909 113.3 50.3 -61.8 -41.3 48.7 -11.9 26.2 102 106 A L H X S+ 0 0 17 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.931 110.3 48.9 -58.9 -48.5 45.9 -10.4 28.3 103 107 A D H X S+ 0 0 3 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.800 109.6 51.1 -68.2 -28.4 43.2 -12.7 26.8 104 108 A K H X S+ 0 0 122 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.868 110.0 51.4 -75.0 -33.9 45.4 -15.8 27.3 105 109 A N H X S+ 0 0 86 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.917 110.4 47.3 -65.2 -43.3 45.8 -14.8 30.9 106 110 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.872 112.3 51.6 -62.5 -40.0 42.0 -14.4 31.4 107 111 A N H X S+ 0 0 28 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.932 106.6 52.2 -62.7 -46.1 41.5 -17.7 29.7 108 112 A Q H X S+ 0 0 102 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.934 110.7 48.6 -56.2 -45.6 44.0 -19.5 32.0 109 113 A S H X S+ 0 0 31 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.924 111.1 49.8 -62.7 -40.6 42.1 -18.1 34.9 110 114 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.858 109.5 51.9 -65.1 -37.5 38.8 -19.3 33.4 111 115 A L H X S+ 0 0 77 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.908 109.1 50.0 -63.2 -44.5 40.3 -22.7 32.8 112 116 A E H X S+ 0 0 117 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.867 108.8 52.8 -60.7 -35.0 41.4 -22.8 36.5 113 117 A L H X S+ 0 0 5 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.883 110.1 48.4 -67.6 -37.2 37.8 -21.8 37.4 114 118 A H H X S+ 0 0 40 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.895 108.1 52.8 -70.0 -39.1 36.5 -24.7 35.4 115 119 A K H X S+ 0 0 129 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.926 110.1 49.7 -59.3 -44.9 39.0 -27.1 37.0 116 120 A L H X S+ 0 0 30 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.877 107.2 54.0 -61.4 -39.4 37.7 -26.0 40.4 117 121 A A H <>S+ 0 0 1 -4,-1.8 5,-3.0 2,-0.2 -2,-0.2 0.902 111.9 45.7 -58.4 -47.0 34.1 -26.5 39.1 118 122 A T H ><5S+ 0 0 76 -4,-2.5 3,-1.9 3,-0.2 -2,-0.2 0.945 112.1 50.7 -55.1 -53.7 35.2 -30.1 38.3 119 123 A D H 3<5S+ 0 0 83 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.857 114.3 44.2 -58.0 -37.3 36.9 -30.6 41.6 120 124 A K T 3<5S- 0 0 67 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.302 110.1-120.7 -91.7 8.3 33.9 -29.4 43.5 121 125 A N T < 5 + 0 0 129 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.934 60.5 149.9 46.1 54.8 31.4 -31.4 41.4 122 126 A D >< + 0 0 1 -5,-3.0 4,-2.0 1,-0.1 -1,-0.2 -0.797 15.6 169.4-116.1 81.5 29.6 -28.2 40.4 123 127 A P H > S+ 0 0 89 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.791 75.4 59.9 -66.7 -29.0 28.2 -28.9 36.9 124 128 A H H > S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.973 110.8 41.5 -60.0 -48.5 26.0 -25.8 36.8 125 129 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.873 112.2 55.9 -66.2 -36.5 29.2 -23.7 37.2 126 130 A C H X S+ 0 0 27 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.954 110.7 43.2 -62.0 -49.0 31.0 -25.9 34.7 127 131 A D H X S+ 0 0 87 -4,-2.7 4,-3.2 2,-0.2 5,-0.4 0.855 111.3 55.8 -61.9 -40.0 28.3 -25.3 32.0 128 132 A F H X S+ 0 0 13 -4,-2.3 4,-2.2 -5,-0.2 5,-0.4 0.950 112.1 41.6 -54.6 -53.4 28.2 -21.6 32.8 129 133 A I H X>S+ 0 0 1 -4,-2.5 5,-2.1 1,-0.2 4,-1.4 0.922 118.9 46.8 -63.6 -43.7 32.0 -21.2 32.2 130 134 A E H <>S+ 0 0 86 -4,-2.5 5,-0.9 -5,-0.2 -2,-0.2 0.910 118.8 37.1 -61.5 -52.2 31.9 -23.5 29.1 131 135 A T H <5S+ 0 0 73 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.899 129.6 27.3 -70.5 -48.0 28.8 -22.0 27.4 132 136 A H H <5S+ 0 0 77 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.567 133.3 20.0 -97.5 -11.6 29.3 -18.3 28.1 133 137 A Y T X5S+ 0 0 2 -4,-1.4 4,-2.1 -5,-0.4 -3,-0.2 0.780 107.6 57.3-127.6 -43.7 33.1 -18.0 28.6 134 138 A L H > S+ 0 0 85 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.909 111.5 51.2 -60.0 -41.0 34.2 -16.8 23.3 137 141 A Q H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.895 110.3 48.8 -64.9 -38.3 37.6 -16.6 24.9 138 142 A V H X S+ 0 0 78 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.918 111.9 48.5 -67.1 -41.3 39.0 -19.0 22.3 139 143 A K H X S+ 0 0 103 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.883 112.4 48.6 -66.5 -38.5 37.4 -17.0 19.4 140 144 A A H X S+ 0 0 22 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.918 111.6 49.3 -66.2 -45.2 38.8 -13.7 20.8 141 145 A I H X S+ 0 0 28 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.931 112.3 48.4 -59.0 -47.0 42.3 -15.3 21.2 142 146 A K H X S+ 0 0 128 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.915 112.7 48.3 -59.0 -44.0 42.1 -16.6 17.6 143 147 A E H X S+ 0 0 77 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.913 112.0 48.6 -64.8 -42.1 41.0 -13.2 16.3 144 148 A L H X S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.900 111.7 49.2 -67.0 -40.6 43.8 -11.4 18.2 145 149 A G H X S+ 0 0 20 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.883 108.9 53.7 -61.9 -41.9 46.4 -13.8 16.9 146 150 A D H X S+ 0 0 66 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.946 111.7 46.3 -57.5 -44.4 45.0 -13.3 13.4 147 151 A H H X S+ 0 0 16 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.912 110.2 50.5 -66.2 -47.1 45.5 -9.6 13.8 148 152 A V H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.928 111.5 50.8 -54.6 -45.9 49.0 -9.8 15.3 149 153 A T H X S+ 0 0 65 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.943 111.0 46.2 -61.3 -51.0 50.0 -12.0 12.4 150 154 A N H X S+ 0 0 73 -4,-2.4 4,-2.6 2,-0.2 6,-0.2 0.948 112.9 49.9 -55.3 -51.0 48.7 -9.7 9.7 151 155 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.3 0.936 114.1 45.3 -56.1 -47.9 50.3 -6.6 11.3 152 156 A R H ><5S+ 0 0 139 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.947 114.0 47.9 -61.4 -49.1 53.6 -8.4 11.5 153 157 A K H 3<5S+ 0 0 182 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.828 108.5 56.7 -59.5 -31.1 53.4 -9.8 7.9 154 158 A M T 3<5S- 0 0 74 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.496 125.4-101.2 -78.5 -4.6 52.4 -6.2 6.8 155 159 A G T <>5 - 0 0 32 -3,-1.7 4,-2.1 -4,-0.3 3,-0.3 0.491 60.7-174.2 96.3 2.9 55.6 -4.8 8.3 156 160 A A T 4< + 0 0 6 -5,-2.5 -1,-0.3 1,-0.3 4,-0.1 -0.404 54.0 25.2 -63.2 150.5 54.2 -3.3 11.5 157 161 A P T 4 S+ 0 0 51 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 -0.990 125.7 43.9 -92.0 -12.1 55.3 -1.7 13.7 158 162 A E T 4 S+ 0 0 170 -3,-0.3 2,-1.0 1,-0.1 -2,-0.2 0.898 107.4 68.1 -57.6 -40.0 58.1 -0.0 11.7 159 163 A S X - 0 0 41 -4,-2.1 4,-1.5 1,-0.2 -1,-0.1 -0.706 58.6-177.5 -83.1 102.2 55.7 0.6 8.8 160 164 A G H > S+ 0 0 52 -2,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.768 87.3 63.7 -67.0 -25.7 53.2 3.2 9.9 161 165 A L H > S+ 0 0 116 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.909 99.1 53.3 -53.8 -47.1 51.7 2.5 6.5 162 166 A A H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.958 111.2 43.6 -58.0 -50.6 51.0 -1.1 7.6 163 167 A E H X S+ 0 0 16 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.876 113.2 52.2 -64.8 -39.4 49.1 -0.0 10.7 164 168 A Y H X S+ 0 0 122 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.917 112.8 44.6 -60.0 -46.8 47.2 2.7 8.9 165 169 A L H X S+ 0 0 64 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.872 113.3 49.7 -69.3 -38.7 46.1 0.2 6.2 166 170 A F H X>S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.2 5,-2.1 0.902 107.4 55.7 -63.9 -44.5 45.2 -2.6 8.7 167 171 A D H <5S+ 0 0 3 -4,-2.5 -2,-0.2 -5,-0.2 5,-0.2 0.925 116.6 36.8 -51.9 -46.2 43.1 0.0 10.6 168 172 A K H <5S+ 0 0 95 -4,-1.6 4,-0.2 3,-0.2 -2,-0.2 0.925 125.4 34.9 -72.1 -45.2 41.1 0.8 7.5 169 173 A H H <5S+ 0 0 151 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.694 131.3 21.2 -96.5 -24.9 40.8 -2.7 5.9 170 174 A T T <5S+ 0 0 68 -4,-2.3 -3,-0.2 -5,-0.3 -4,-0.1 0.755 131.0 36.2-104.6 -46.6 40.5 -5.0 8.8 171 175 A L < 0 0 26 -5,-2.1 -3,-0.2 0, 0.0 -4,-0.1 0.642 360.0 360.0 -86.1 -9.6 39.3 -2.9 11.7 172 176 A G 0 0 72 -6,-0.4 -4,-0.0 -4,-0.2 -126,-0.0 -0.772 360.0 360.0 -91.9 360.0 37.1 -0.7 9.6