==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JAN-08 3BVI . COMPND 2 MOLECULE: FERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR K.H.KIM,K.J.CHO,J.H.LEE,H.J.SHIN,I.S.YANG . 1033 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45760.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 823 79.7 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 . 6 0.6 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 . 33 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 712 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 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 4 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 0 0 4 0 0 6 6 2 6 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 . 3 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 1005 A H 0 0 151 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.1 1.2 -16.6 56.5 2 1004 A H - 0 0 143 904,-0.0 2,-0.4 0, 0.0 903,-0.0 -0.755 360.0-161.5 -87.4 128.6 -0.2 -20.0 55.6 3 1003 A S - 0 0 19 -2,-0.5 901,-0.1 901,-0.1 902,-0.0 -0.888 31.1 -97.9-106.3 144.3 0.7 -21.2 52.1 4 1002 A Q - 0 0 139 -2,-0.4 3,-0.1 1,-0.1 902,-0.1 -0.270 40.6-107.5 -64.0 143.7 -1.4 -24.0 50.5 5 1001 A D - 0 0 117 1,-0.2 -1,-0.1 2,-0.1 67,-0.1 -0.110 52.3 -71.8 -59.0 163.2 -0.1 -27.6 50.7 6 0 A P - 0 0 58 0, 0.0 65,-0.2 0, 0.0 -1,-0.2 -0.355 37.1-143.7 -56.2 140.4 1.3 -29.3 47.5 7 1 A M S S+ 0 0 135 63,-2.6 2,-0.3 -3,-0.1 64,-0.1 0.493 76.8 73.7 -88.9 -4.7 -1.5 -30.1 45.0 8 2 A L S S- 0 0 15 62,-0.4 2,-0.1 59,-0.1 111,-0.0 -0.772 88.3-100.6-109.3 156.5 0.2 -33.4 44.0 9 3 A S > - 0 0 52 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.329 32.6-112.5 -72.3 154.6 0.5 -36.8 45.8 10 4 A K H > S+ 0 0 184 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.847 116.2 51.2 -57.4 -37.8 3.8 -37.7 47.6 11 5 A D H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 112.2 45.1 -67.3 -43.2 4.5 -40.6 45.1 12 6 A I H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.907 111.0 54.5 -65.5 -45.0 4.1 -38.3 42.0 13 7 A I H X S+ 0 0 21 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.920 108.9 48.9 -51.7 -49.5 6.1 -35.6 43.7 14 8 A K H X S+ 0 0 112 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.933 113.1 46.4 -59.2 -48.2 9.0 -38.1 44.2 15 9 A L H X S+ 0 0 21 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.872 113.9 47.2 -65.4 -39.2 8.8 -39.3 40.6 16 10 A L H X S+ 0 0 3 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.899 112.2 48.9 -72.7 -42.3 8.7 -35.8 39.1 17 11 A N H X S+ 0 0 7 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.915 110.8 51.8 -59.1 -43.5 11.6 -34.5 41.2 18 12 A E H X S+ 0 0 81 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.884 108.4 52.2 -57.9 -39.5 13.6 -37.5 40.2 19 13 A Q H X S+ 0 0 4 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.821 104.3 55.7 -68.8 -33.9 12.8 -36.8 36.5 20 14 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.944 109.4 46.7 -62.2 -46.6 14.1 -33.2 36.9 21 15 A N H X S+ 0 0 18 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.849 109.3 55.0 -64.9 -34.7 17.4 -34.5 38.2 22 16 A K H X S+ 0 0 66 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.876 108.3 48.4 -62.6 -41.5 17.5 -37.1 35.3 23 17 A E H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.858 110.1 51.1 -67.3 -39.3 17.1 -34.3 32.7 24 18 A M H X S+ 0 0 9 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.919 112.3 47.7 -59.9 -46.0 19.9 -32.2 34.4 25 19 A N H X S+ 0 0 55 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.883 110.2 51.5 -62.5 -42.0 22.1 -35.3 34.3 26 20 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.905 107.0 54.2 -60.7 -44.5 21.2 -35.9 30.6 27 21 A S H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.916 110.6 45.4 -56.0 -47.8 22.1 -32.3 29.7 28 22 A N H X S+ 0 0 9 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.860 110.9 53.7 -63.2 -39.1 25.6 -32.7 31.3 29 23 A L H X S+ 0 0 14 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.932 110.4 46.7 -61.5 -45.8 26.1 -36.1 29.6 30 24 A Y H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.836 109.3 52.5 -69.0 -35.2 25.3 -34.5 26.2 31 25 A M H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.897 111.0 49.7 -64.3 -39.3 27.6 -31.5 26.8 32 26 A S H X S+ 0 0 7 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.923 113.9 43.7 -61.6 -48.0 30.3 -34.0 27.6 33 27 A M H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.892 111.9 55.1 -63.7 -39.7 29.6 -36.0 24.4 34 28 A S H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.912 108.1 48.1 -58.9 -44.7 29.4 -32.8 22.5 35 29 A S H X S+ 0 0 5 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.847 106.2 57.0 -67.9 -36.7 32.9 -31.7 23.7 36 30 A W H < S+ 0 0 38 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.937 109.7 46.5 -57.0 -45.4 34.4 -35.1 22.8 37 31 A C H ><>S+ 0 0 0 -4,-1.9 5,-2.8 1,-0.2 3,-1.6 0.961 111.7 49.0 -63.5 -51.1 33.2 -34.6 19.2 38 32 A Y H ><5S+ 0 0 44 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.886 111.6 49.7 -54.9 -42.3 34.4 -31.0 18.9 39 33 A T T 3<5S+ 0 0 22 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.533 110.6 51.7 -78.6 -4.7 37.8 -31.9 20.2 40 34 A H T < 5S- 0 0 64 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 -0.030 123.7 -97.1-118.8 28.3 38.0 -34.9 17.7 41 35 A S T < 5S+ 0 0 64 -3,-1.1 2,-0.6 1,-0.1 3,-0.2 0.593 91.3 119.9 71.3 15.5 37.2 -32.9 14.5 42 36 A L >< + 0 0 10 -5,-2.8 4,-2.7 -6,-0.2 -4,-0.1 -0.532 20.4 153.3-110.7 64.9 33.5 -33.8 14.6 43 37 A D H > + 0 0 75 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.726 70.0 62.5 -67.9 -19.5 31.9 -30.4 14.8 44 38 A G H > S+ 0 0 0 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.971 111.4 34.7 -67.8 -54.6 28.8 -31.8 13.1 45 39 A A H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.900 116.3 59.2 -63.8 -38.8 28.0 -34.3 15.9 46 40 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.919 108.0 44.2 -54.5 -48.2 29.4 -31.7 18.3 47 41 A L H X S+ 0 0 34 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.944 113.6 50.2 -62.3 -49.5 26.8 -29.1 17.2 48 42 A F H X S+ 0 0 6 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.895 113.4 45.0 -57.6 -45.0 24.0 -31.7 17.3 49 43 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.865 111.2 52.1 -71.4 -37.7 24.8 -32.9 20.8 50 44 A F H X S+ 0 0 17 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.950 111.1 48.3 -59.5 -49.2 25.2 -29.4 22.2 51 45 A D H X S+ 0 0 39 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.858 111.6 50.8 -62.7 -34.7 21.8 -28.4 20.8 52 46 A H H X S+ 0 0 7 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.873 106.5 53.2 -71.3 -39.0 20.3 -31.6 22.3 53 47 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.903 107.5 52.1 -59.0 -41.9 21.8 -31.0 25.8 54 48 A A H X S+ 0 0 14 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.852 108.2 52.3 -65.6 -33.2 20.2 -27.5 25.8 55 49 A E H X S+ 0 0 75 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.838 104.3 54.9 -68.8 -38.1 16.9 -29.1 24.9 56 50 A E H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.904 107.2 51.4 -61.2 -40.8 17.2 -31.6 27.8 57 51 A Y H X S+ 0 0 4 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.838 105.0 56.3 -64.3 -35.1 17.6 -28.5 30.1 58 52 A E H X S+ 0 0 53 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.867 107.0 49.4 -60.7 -39.4 14.4 -27.0 28.5 59 53 A H H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.896 108.8 53.1 -64.7 -42.4 12.5 -30.2 29.6 60 54 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.939 109.5 49.1 -56.2 -47.6 14.0 -29.8 33.0 61 55 A K H X S+ 0 0 23 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.876 109.0 50.8 -61.4 -41.9 12.7 -26.2 33.2 62 56 A K H X S+ 0 0 79 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.841 110.6 50.3 -67.2 -33.0 9.2 -27.1 32.0 63 57 A L H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.929 110.1 50.2 -66.0 -46.9 9.0 -29.8 34.7 64 58 A I H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.936 107.5 54.0 -54.1 -49.5 10.2 -27.3 37.4 65 59 A I H X S+ 0 0 64 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.909 107.9 50.1 -53.2 -46.0 7.5 -24.8 36.2 66 60 A F H X S+ 0 0 17 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.901 111.8 47.5 -62.6 -41.6 4.8 -27.5 36.7 67 61 A L H <>S+ 0 0 0 -4,-2.1 5,-2.9 2,-0.2 3,-0.3 0.945 111.5 50.8 -63.5 -48.6 6.0 -28.3 40.2 68 62 A N H ><5S+ 0 0 3 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.915 109.0 51.9 -52.6 -46.5 6.1 -24.6 41.1 69 63 A E H 3<5S+ 0 0 130 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.826 110.3 48.3 -61.9 -36.2 2.5 -24.1 39.8 70 64 A N T 3<5S- 0 0 17 -4,-1.5 -63,-2.6 -3,-0.3 -62,-0.4 0.161 116.2-114.6 -87.1 14.5 1.4 -27.0 42.0 71 65 A N T < 5 + 0 0 34 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.796 65.7 150.6 52.5 32.8 3.2 -25.6 45.1 72 66 A V < - 0 0 0 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.832 50.0-119.0 -94.6 126.0 5.5 -28.6 45.1 73 67 A P - 0 0 57 0, 0.0 2,-0.5 0, 0.0 -56,-0.1 -0.424 24.5-128.3 -62.6 134.3 9.0 -28.0 46.4 74 68 A V - 0 0 7 822,-0.2 2,-0.7 823,-0.2 826,-0.1 -0.764 19.9-159.0 -84.9 127.2 11.7 -28.7 43.8 75 69 A Q - 0 0 118 -2,-0.5 2,-0.4 -61,-0.1 -54,-0.2 -0.790 8.4-172.8-114.7 86.0 14.3 -31.1 45.2 76 70 A L - 0 0 14 -2,-0.7 2,-0.2 817,-0.1 3,-0.1 -0.680 9.4-165.4 -81.8 128.5 17.5 -30.8 43.3 77 71 A T - 0 0 72 -2,-0.4 2,-0.1 1,-0.1 867,-0.1 -0.497 38.7 -65.8-105.2 173.9 20.1 -33.4 44.3 78 72 A S - 0 0 77 -2,-0.2 2,-0.8 868,-0.1 867,-0.2 -0.419 49.2-139.4 -58.6 130.4 23.8 -33.7 43.7 79 73 A I B -A 944 0A 6 865,-2.7 865,-2.4 -2,-0.1 -1,-0.1 -0.886 18.1-133.0 -95.5 110.8 24.3 -34.2 39.9 80 74 A S - 0 0 85 -2,-0.8 863,-0.0 863,-0.2 862,-0.0 -0.339 31.3 -95.7 -59.2 141.9 27.1 -36.8 39.5 81 75 A A - 0 0 44 1,-0.1 862,-0.1 862,-0.0 861,-0.1 -0.336 44.8-116.6 -59.0 138.8 29.8 -35.8 36.9 82 76 A P - 0 0 15 0, 0.0 859,-0.1 0, 0.0 -1,-0.1 -0.379 33.1 -90.6 -77.9 158.5 29.0 -37.3 33.4 83 77 A E - 0 0 95 1,-0.1 -51,-0.1 -2,-0.1 3,-0.0 -0.323 37.6-179.3 -61.2 149.8 31.3 -39.8 31.7 84 78 A H + 0 0 133 -3,-0.1 2,-0.7 -49,-0.0 -1,-0.1 0.378 50.1 97.4-132.2 -6.2 34.0 -38.3 29.5 85 79 A K + 0 0 171 2,-0.0 2,-0.4 -49,-0.0 -52,-0.0 -0.814 46.7 165.4 -93.9 111.9 35.8 -41.3 28.1 86 80 A F - 0 0 18 -2,-0.7 3,-0.1 1,-0.1 -2,-0.0 -0.961 32.6-154.7-127.3 147.2 34.6 -42.3 24.6 87 81 A E - 0 0 171 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.774 69.1 -44.7 -88.0 -31.5 36.1 -44.6 22.1 88 82 A G > - 0 0 18 1,-0.1 4,-2.0 0, 0.0 -1,-0.3 -0.990 65.0 -68.5-179.6-176.9 34.5 -43.0 19.0 89 83 A L H > S+ 0 0 7 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.886 124.3 51.3 -58.6 -44.9 31.5 -41.6 17.2 90 84 A T H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 110.3 49.0 -61.6 -44.5 29.7 -44.9 17.0 91 85 A Q H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.857 107.9 54.7 -64.4 -38.4 30.1 -45.6 20.7 92 86 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.951 112.7 41.9 -60.7 -48.6 28.8 -42.1 21.6 93 87 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.798 112.4 54.2 -72.5 -27.9 25.6 -42.6 19.6 94 88 A Q H X S+ 0 0 87 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.909 114.1 42.3 -63.9 -46.4 25.2 -46.2 20.9 95 89 A K H X S+ 0 0 62 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.891 114.1 52.3 -64.5 -42.0 25.5 -44.9 24.5 96 90 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.918 109.8 47.9 -62.9 -45.6 23.2 -41.9 23.6 97 91 A Y H X S+ 0 0 10 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.902 111.8 49.1 -64.2 -43.0 20.5 -44.2 22.1 98 92 A E H X S+ 0 0 126 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.872 111.2 52.6 -62.3 -35.5 20.6 -46.5 25.2 99 93 A H H X S+ 0 0 30 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.931 107.9 48.5 -64.4 -47.3 20.3 -43.4 27.3 100 94 A E H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.840 109.1 55.2 -64.5 -34.8 17.2 -42.1 25.5 101 95 A Q H X S+ 0 0 81 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.914 108.9 47.0 -58.2 -46.2 15.6 -45.5 25.8 102 96 A H H X S+ 0 0 86 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.887 111.9 50.2 -67.0 -39.4 16.1 -45.4 29.6 103 97 A I H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.920 109.7 51.3 -64.1 -41.1 14.7 -41.9 29.7 104 98 A S H X S+ 0 0 14 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.897 110.4 49.3 -61.6 -42.2 11.7 -43.1 27.7 105 99 A E H X S+ 0 0 130 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.899 108.3 52.7 -62.0 -44.3 11.2 -45.9 30.1 106 100 A S H X S+ 0 0 14 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.873 110.4 48.5 -61.2 -39.1 11.4 -43.5 33.1 107 101 A I H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 3,-0.3 0.923 107.7 54.0 -64.9 -46.8 8.7 -41.3 31.6 108 102 A N H X S+ 0 0 34 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.890 106.4 55.0 -52.9 -42.7 6.4 -44.3 30.9 109 103 A N H X S+ 0 0 69 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.857 108.6 45.5 -55.5 -45.5 6.8 -45.2 34.6 110 104 A I H X S+ 0 0 2 -4,-1.3 4,-2.7 -3,-0.3 -2,-0.2 0.934 112.9 50.2 -68.0 -46.3 5.5 -41.8 35.7 111 105 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.895 111.1 49.9 -59.5 -42.0 2.7 -41.8 33.3 112 106 A D H X S+ 0 0 18 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I H X S+ 0 0 2 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.935 114.2 48.7 -61.6 -48.3 39.6 -14.4 -37.7 284 105 B V H X S+ 0 0 17 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.917 110.9 51.4 -58.6 -43.7 40.2 -11.6 -35.3 285 106 B D H X S+ 0 0 70 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.912 109.9 49.3 -58.5 -43.4 43.9 -11.4 -36.4 286 107 B H H X S+ 0 0 46 -4,-2.2 4,-2.1 2,-0.2 6,-0.2 0.845 106.3 55.8 -68.7 -33.1 42.7 -11.2 -40.0 287 108 B A H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 -1,-0.2 0.912 109.8 47.1 -62.2 -42.3 40.2 -8.4 -39.2 288 109 B I H ><5S+ 0 0 83 -4,-2.0 3,-1.6 3,-0.2 -2,-0.2 0.951 112.2 49.3 -60.8 -52.1 43.1 -6.4 -37.7 289 110 B K H 3<5S+ 0 0 150 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.837 116.1 42.4 -57.0 -38.3 45.4 -7.0 -40.7 290 111 B S T 3<5S- 0 0 50 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.282 111.9-119.3 -94.7 11.1 42.7 -6.0 -43.2 291 112 B K T < 5 + 0 0 176 -3,-1.6 2,-1.3 1,-0.2 -3,-0.2 0.748 61.7 149.0 56.8 30.1 41.6 -3.0 -41.1 292 113 B D >< + 0 0 28 -5,-2.7 4,-1.8 -6,-0.2 -1,-0.2 -0.662 8.7 161.1 -93.2 82.6 38.0 -4.4 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101 F I H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 3,-0.4 0.958 106.5 52.4 -61.2 -51.2 35.2 -13.2 36.6 973 102 F N H X S+ 0 0 98 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.816 106.7 54.9 -51.8 -37.0 37.7 -10.5 37.5 974 103 F N H X S+ 0 0 87 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.875 109.3 45.8 -66.6 -40.1 40.3 -13.2 38.4 975 104 F I H X S+ 0 0 1 -4,-1.5 4,-2.1 -3,-0.4 -2,-0.2 0.930 114.4 47.5 -67.7 -45.7 39.9 -14.8 34.9 976 105 F V H X S+ 0 0 17 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.933 112.3 50.6 -61.9 -43.8 40.2 -11.5 33.1 977 106 F D H X S+ 0 0 66 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.898 110.6 48.7 -61.1 -40.9 43.2 -10.6 35.3 978 107 F H H X S+ 0 0 45 -4,-2.0 4,-2.2 2,-0.2 6,-0.3 0.833 106.6 56.9 -67.5 -32.3 44.9 -13.9 34.4 979 108 F A H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 4,-0.2 0.927 109.1 46.7 -63.7 -43.8 44.2 -13.4 30.7 980 109 F I H ><5S+ 0 0 81 -4,-2.0 3,-1.6 3,-0.2 -2,-0.2 0.956 111.5 50.2 -60.3 -52.7 46.1 -10.0 30.9 981 110 F K H 3<5S+ 0 0 154 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.870 116.7 40.9 -55.3 -41.7 49.0 -11.6 32.9 982 111 F S T 3<5S- 0 0 50 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.358 111.4-121.2 -88.9 5.1 49.4 -14.4 30.3 983 112 F K T < 5 + 0 0 173 -3,-1.6 2,-1.6 -4,-0.2 -3,-0.2 0.763 59.1 151.7 60.2 28.5 48.7 -12.0 27.4 984 113 F D >< + 0 0 24 -5,-2.7 4,-1.9 -6,-0.3 -1,-0.2 -0.625 8.4 162.7 -88.6 81.8 45.7 -14.1 26.2 985 114 F H H > + 0 0 106 -2,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.701 65.9 62.8 -83.5 -17.3 43.9 -11.2 24.6 986 115 F A H > S+ 0 0 69 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.917 110.1 42.1 -64.2 -45.9 41.5 -13.3 22.6 987 116 F T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.896 112.2 54.8 -65.1 -43.0 40.1 -14.6 25.9 988 117 F F H < S+ 0 0 59 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.935 112.1 44.2 -53.8 -47.9 40.2 -11.1 27.4 989 118 F N H >< S+ 0 0 122 -4,-2.3 3,-1.3 1,-0.2 4,-0.4 0.923 111.0 52.7 -65.0 -46.8 38.1 -9.8 24.5 990 119 F F H >< S+ 0 0 40 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.872 105.1 57.2 -55.5 -39.1 35.7 -12.7 24.5 991 120 F L T 3X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 3,-0.5 0.600 81.4 87.6 -73.2 -12.3 35.0 -12.2 28.3 992 121 F Q H <> S+ 0 0 78 -3,-1.3 4,-2.4 -4,-0.5 -1,-0.2 0.873 85.6 51.5 -60.8 -40.9 33.8 -8.5 27.9 993 122 F W H <> S+ 0 0 62 -3,-0.7 4,-2.5 -4,-0.4 -1,-0.3 0.887 112.3 50.1 -58.6 -34.7 30.2 -9.3 27.3 994 123 F Y H > S+ 0 0 0 -3,-0.5 4,-2.7 -4,-0.4 5,-0.3 0.922 108.3 49.6 -75.1 -45.7 30.3 -11.5 30.4 995 124 F V H X S+ 0 0 42 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.922 114.5 47.5 -52.9 -47.5 31.9 -8.8 32.6 996 125 F A H X S+ 0 0 60 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.941 114.2 43.5 -64.6 -49.5 29.2 -6.4 31.4 997 126 F E H X S+ 0 0 56 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.894 113.9 51.6 -66.9 -38.4 26.2 -8.7 31.9 998 127 F Q H X S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.899 107.8 51.7 -65.5 -41.4 27.4 -9.9 35.3 999 128 F H H X S+ 0 0 116 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.940 109.4 50.2 -60.1 -45.8 27.9 -6.3 36.5 1000 129 F E H X S+ 0 0 104 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.875 111.9 48.8 -56.0 -41.9 24.3 -5.5 35.5 1001 130 F E H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.908 109.9 50.5 -64.6 -45.1 23.1 -8.7 37.4 1002 131 F E H X S+ 0 0 42 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.915 111.8 48.2 -59.2 -44.5 25.1 -7.7 40.5 1003 132 F V H X S+ 0 0 47 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.900 108.8 54.5 -62.8 -43.8 23.6 -4.2 40.5 1004 133 F L H X S+ 0 0 20 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.911 109.3 46.1 -59.1 -44.5 20.1 -5.6 40.0 1005 134 F F H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.885 111.7 52.3 -67.6 -37.3 20.3 -7.9 43.1 1006 135 F K H X S+ 0 0 70 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.918 111.0 48.7 -55.9 -46.7 21.8 -4.9 45.0 1007 136 F D H X S+ 0 0 62 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.876 112.7 45.9 -65.4 -43.0 18.7 -2.9 43.9 1008 137 F I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.909 112.3 50.5 -67.8 -43.8 16.2 -5.5 44.9 1009 138 F L H X S+ 0 0 17 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.937 110.6 50.6 -56.3 -49.1 17.8 -6.2 48.3 1010 139 F D H X S+ 0 0 84 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.903 112.8 46.4 -53.5 -45.8 17.8 -2.4 48.9 1011 140 F K H X S+ 0 0 72 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.887 109.8 52.2 -69.9 -40.3 14.0 -2.2 48.0 1012 141 F I H X S+ 0 0 7 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.904 112.6 46.4 -59.5 -43.1 13.1 -5.3 50.1 1013 142 F E H < S+ 0 0 103 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.882 112.3 50.9 -66.3 -41.7 14.9 -3.6 53.1 1014 143 F L H < S+ 0 0 131 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.865 113.8 43.9 -62.8 -40.1 13.1 -0.3 52.4 1015 144 F I H < S- 0 0 48 -4,-2.4 3,-0.3 -5,-0.1 -2,-0.2 0.905 93.7-166.5 -74.2 -43.6 9.7 -1.8 52.2 1016 145 F G < - 0 0 22 -4,-2.2 9,-0.2 -5,-0.2 -2,-0.1 -0.051 30.9 -93.4 75.0 175.4 10.1 -4.1 55.2 1017 146 F N S S+ 0 0 120 4,-0.2 5,-0.2 -4,-0.1 -1,-0.2 0.033 74.7 125.3-121.7 28.8 7.7 -6.9 56.1 1018 147 F E S > S- 0 0 132 -3,-0.3 3,-3.5 2,-0.1 4,-0.2 -0.397 83.2 -23.3 -76.7 169.8 5.2 -5.4 58.4 1019 148 F N T 3 S- 0 0 136 1,-0.3 3,-0.2 2,-0.1 4,-0.1 0.013 139.9 -12.5 19.1 -98.4 1.5 -5.7 57.5 1020 149 F H T 3> S+ 0 0 113 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 -0.024 99.1 117.7-111.2 29.7 1.5 -6.3 53.8 1021 150 F G H <> S+ 0 0 5 -3,-3.5 4,-2.7 1,-0.2 5,-0.2 0.864 73.5 54.9 -63.3 -40.8 5.1 -5.3 53.1 1022 151 F L H > S+ 0 0 46 -4,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.868 107.4 50.8 -59.4 -40.0 6.0 -8.8 51.8 1023 152 F Y H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.944 111.9 46.8 -62.2 -49.6 3.2 -8.6 49.3 1024 153 F L H X S+ 0 0 87 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.906 113.1 48.3 -57.5 -48.4 4.4 -5.2 48.0 1025 154 F A H X S+ 0 0 2 -4,-2.7 4,-2.1 -9,-0.2 -1,-0.2 0.898 111.7 51.0 -59.3 -41.3 8.0 -6.4 47.8 1026 155 F D H X S+ 0 0 3 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.849 110.0 48.9 -66.9 -35.7 6.9 -9.5 45.9 1027 156 F Q H X S+ 0 0 68 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.825 108.0 55.1 -72.7 -32.3 4.9 -7.4 43.4 1028 157 F Y H X S+ 0 0 95 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.942 110.4 44.9 -62.8 -49.9 7.9 -5.1 42.9 1029 158 F V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.865 109.6 56.9 -60.7 -38.4 10.0 -8.1 42.0 1030 159 F K H X S+ 0 0 43 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.922 105.9 50.6 -58.3 -45.8 7.2 -9.4 39.8 1031 160 F G H X S+ 0 0 41 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.857 109.8 49.9 -61.0 -38.1 7.3 -6.2 37.8 1032 161 F I H X S+ 0 0 23 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.941 110.8 49.5 -66.9 -45.7 11.0 -6.4 37.3 1033 162 F A H X S+ 0 0 3 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.881 113.3 45.9 -57.8 -44.5 10.8 -10.0 36.1 1034 163 F K H X S+ 0 0 134 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.823 110.1 53.9 -70.5 -33.0 8.0 -9.2 33.6 1035 164 F S H < S+ 0 0 76 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.742 108.4 50.0 -74.2 -23.2 9.8 -6.1 32.3 1036 165 F R H < S+ 0 0 123 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.674 100.6 61.1 -90.7 -21.7 13.0 -8.1 31.6 1037 166 F K H < 0 0 125 -4,-1.0 -2,-0.2 -5,-0.1 -1,-0.1 0.957 360.0 360.0 -61.6 -56.2 11.2 -10.9 29.6 1038 167 F S < 0 0 156 -4,-1.2 -3,-0.1 0, 0.0 -4,-0.1 0.042 360.0 360.0-159.8 360.0 10.2 -8.1 27.2