==== 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 3BVF . 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 . 1032 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 826 80.0 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 . 53 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 709 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.8 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 6 0 0 0 0 0 0 0 0 2 4 0 0 0 0 0 0 0 6 0 0 6 2 9 1 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 0 153 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.5 129.9 -16.6 56.2 2 1004 A H - 0 0 136 904,-0.0 2,-0.3 0, 0.0 903,-0.1 -0.795 360.0-164.6 -94.3 126.8 128.5 -19.9 55.1 3 1003 A S - 0 0 21 -2,-0.5 901,-0.1 901,-0.1 902,-0.0 -0.858 32.3 -97.0-105.9 145.3 129.3 -21.2 51.6 4 1002 A Q - 0 0 136 -2,-0.3 3,-0.1 1,-0.1 902,-0.1 -0.265 41.7-104.3 -65.4 145.1 127.2 -24.0 50.0 5 1001 A D - 0 0 118 1,-0.2 -1,-0.1 2,-0.1 67,-0.1 -0.152 52.7 -73.4 -59.1 157.4 128.5 -27.6 50.2 6 0 A P - 0 0 57 0, 0.0 65,-0.2 0, 0.0 -1,-0.2 -0.285 38.3-143.9 -51.8 139.5 130.0 -29.3 47.1 7 1 A M S S+ 0 0 131 63,-2.9 2,-0.3 -3,-0.1 64,-0.1 0.503 76.3 72.8 -88.4 -7.2 127.3 -30.2 44.6 8 2 A L S S- 0 0 14 62,-0.4 2,-0.0 59,-0.1 111,-0.0 -0.764 88.6-101.3-108.9 155.8 129.0 -33.4 43.5 9 3 A S > - 0 0 53 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.319 33.7-110.2 -70.4 156.0 129.2 -36.8 45.4 10 4 A K H > S+ 0 0 179 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.868 117.7 50.4 -54.9 -42.6 132.5 -37.8 47.1 11 5 A D H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 112.2 46.1 -63.5 -44.0 133.2 -40.5 44.6 12 6 A I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.891 110.9 53.8 -67.3 -40.4 132.7 -38.2 41.6 13 7 A I H X S+ 0 0 22 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.928 110.1 47.7 -55.8 -48.2 134.8 -35.5 43.3 14 8 A K H X S+ 0 0 129 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.932 113.3 47.3 -60.6 -47.9 137.7 -38.0 43.7 15 9 A L H X S+ 0 0 43 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.891 114.1 46.3 -62.6 -43.3 137.5 -39.2 40.1 16 10 A L H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.903 112.7 49.0 -69.0 -42.7 137.4 -35.7 38.6 17 11 A N H X S+ 0 0 7 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.907 110.4 51.5 -61.9 -41.1 140.3 -34.5 40.8 18 12 A E H X S+ 0 0 85 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.894 109.1 52.3 -59.6 -38.4 142.3 -37.5 39.8 19 13 A Q H X S+ 0 0 4 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.872 104.6 53.9 -67.6 -39.3 141.5 -36.7 36.2 20 14 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.950 112.2 45.2 -57.1 -49.1 142.7 -33.1 36.5 21 15 A N H X S+ 0 0 11 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.869 110.0 55.2 -64.1 -36.6 146.0 -34.4 37.8 22 16 A K H X S+ 0 0 67 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.900 108.7 47.9 -60.5 -44.0 146.2 -37.1 35.1 23 17 A E H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.867 111.1 50.0 -68.1 -37.0 145.8 -34.4 32.4 24 18 A M H X S+ 0 0 6 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.932 112.1 48.0 -65.0 -46.3 148.5 -32.2 34.0 25 19 A N H X S+ 0 0 47 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.880 112.1 51.1 -56.6 -41.4 150.8 -35.3 34.1 26 20 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.905 105.3 54.3 -65.3 -43.6 150.0 -36.0 30.5 27 21 A S H X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.910 110.3 47.2 -58.9 -41.7 150.8 -32.4 29.4 28 22 A N H X S+ 0 0 7 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.878 109.1 54.0 -69.0 -36.3 154.2 -32.7 30.9 29 23 A L H X S+ 0 0 19 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.936 110.1 47.4 -59.3 -47.0 154.8 -36.1 29.3 30 24 A Y H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.847 108.5 54.0 -66.8 -33.4 154.0 -34.7 25.9 31 25 A M H X S+ 0 0 1 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.893 110.3 48.3 -63.3 -40.2 156.3 -31.7 26.6 32 26 A S H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.926 112.9 46.1 -64.8 -47.4 159.1 -34.2 27.3 33 27 A M H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.909 112.5 52.3 -60.0 -42.8 158.4 -36.2 24.2 34 28 A S H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.923 108.3 50.1 -58.0 -48.0 158.2 -33.0 22.2 35 29 A S H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.885 106.8 54.8 -61.5 -40.6 161.6 -31.8 23.5 36 30 A W H < S+ 0 0 40 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.946 110.8 46.2 -56.3 -47.6 163.1 -35.2 22.6 37 31 A C H ><>S+ 0 0 0 -4,-2.0 5,-2.8 1,-0.2 3,-1.4 0.933 111.0 51.1 -62.2 -47.1 161.9 -34.7 19.0 38 32 A Y H ><5S+ 0 0 43 -4,-2.7 3,-0.7 1,-0.3 -1,-0.2 0.814 111.3 48.5 -59.9 -32.3 163.1 -31.1 18.8 39 33 A T T 3<5S+ 0 0 22 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.421 110.0 52.7 -90.6 1.2 166.6 -32.1 20.0 40 34 A H T < 5S- 0 0 63 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 -0.026 122.3 -97.7-124.2 29.0 166.8 -35.0 17.5 41 35 A S T < 5S+ 0 0 64 -3,-0.7 2,-0.7 1,-0.1 3,-0.2 0.578 90.0 121.4 69.9 15.1 166.0 -33.0 14.3 42 36 A L >< + 0 0 7 -5,-2.8 4,-2.2 -6,-0.2 -1,-0.1 -0.598 21.4 154.0-107.5 69.7 162.3 -34.0 14.3 43 37 A D H > + 0 0 74 -2,-0.7 4,-2.4 2,-0.2 5,-0.2 0.714 68.2 62.1 -74.6 -19.8 160.7 -30.6 14.5 44 38 A G H > S+ 0 0 0 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.967 112.1 36.2 -64.6 -54.3 157.5 -31.9 12.8 45 39 A A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.859 114.5 59.8 -65.6 -36.2 156.8 -34.3 15.7 46 40 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.938 109.3 41.9 -55.1 -50.7 158.2 -31.7 18.1 47 41 A L H X S+ 0 0 32 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.935 114.5 51.2 -64.1 -47.8 155.5 -29.2 17.1 48 42 A F H X S+ 0 0 7 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.919 113.6 44.0 -54.3 -49.1 152.8 -31.8 17.0 49 43 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.835 111.7 53.2 -71.4 -33.1 153.6 -33.0 20.5 50 44 A F H X S+ 0 0 17 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.938 111.5 45.5 -62.5 -48.9 154.0 -29.5 21.9 51 45 A D H X S+ 0 0 43 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.872 112.9 51.1 -66.3 -35.2 150.6 -28.5 20.6 52 46 A H H X S+ 0 0 13 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.928 107.4 53.1 -65.2 -44.2 149.1 -31.7 21.9 53 47 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.934 109.0 49.8 -53.4 -48.3 150.7 -31.1 25.4 54 48 A A H X S+ 0 0 14 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.875 108.7 53.0 -59.4 -38.7 149.0 -27.7 25.4 55 49 A E H X S+ 0 0 74 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.879 104.7 53.8 -66.4 -38.6 145.7 -29.2 24.5 56 50 A E H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.895 107.9 50.9 -64.7 -38.4 145.8 -31.7 27.4 57 51 A Y H X S+ 0 0 4 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.876 104.7 57.3 -64.7 -37.3 146.4 -28.8 29.8 58 52 A E H X S+ 0 0 65 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.883 105.5 51.6 -58.0 -37.9 143.3 -27.1 28.2 59 53 A H H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.929 107.1 52.0 -63.4 -45.0 141.3 -30.2 29.2 60 54 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.918 109.2 51.1 -55.6 -45.0 142.6 -30.0 32.8 61 55 A K H X S+ 0 0 21 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.880 108.0 50.8 -61.3 -41.5 141.5 -26.3 32.9 62 56 A K H X S+ 0 0 99 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.861 110.5 49.6 -66.3 -36.1 138.0 -27.2 31.7 63 57 A L H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.913 109.6 52.1 -67.1 -42.6 137.7 -29.9 34.4 64 58 A I H X S+ 0 0 1 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.911 106.2 54.0 -56.8 -45.1 138.8 -27.4 37.0 65 59 A I H X S+ 0 0 77 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.914 108.4 49.9 -57.2 -43.7 136.1 -24.9 35.8 66 60 A F H X S+ 0 0 8 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.905 110.8 48.9 -63.4 -43.0 133.5 -27.6 36.3 67 61 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 3,-0.5 0.944 111.3 50.7 -60.4 -47.8 134.8 -28.4 39.8 68 62 A N H ><5S+ 0 0 3 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.911 108.0 51.3 -54.8 -46.2 134.8 -24.6 40.7 69 63 A E H 3<5S+ 0 0 118 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.766 109.7 50.8 -68.4 -24.3 131.2 -24.1 39.5 70 64 A N T <<5S- 0 0 12 -4,-1.3 -63,-2.9 -3,-0.5 -62,-0.4 0.241 115.9-113.9 -93.5 11.0 130.0 -27.1 41.7 71 65 A N T < 5 + 0 0 37 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.826 67.0 149.7 57.9 34.1 131.8 -25.7 44.8 72 66 A V < - 0 0 0 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.875 50.3-119.6-100.7 121.4 134.2 -28.6 44.7 73 67 A P - 0 0 54 0, 0.0 2,-0.6 0, 0.0 -56,-0.1 -0.364 23.3-129.0 -57.7 131.6 137.7 -28.0 46.1 74 68 A V - 0 0 6 822,-0.2 2,-0.8 823,-0.2 826,-0.1 -0.773 20.9-159.7 -82.9 122.5 140.4 -28.7 43.4 75 69 A Q - 0 0 119 -2,-0.6 2,-0.5 -61,-0.0 -54,-0.2 -0.838 7.2-170.3-111.5 92.8 142.9 -31.0 45.0 76 70 A L - 0 0 15 -2,-0.8 2,-0.1 817,-0.1 3,-0.1 -0.734 5.8-167.2 -86.2 125.5 146.2 -30.7 43.0 77 71 A T - 0 0 72 -2,-0.5 2,-0.1 1,-0.2 867,-0.0 -0.394 41.5 -64.7 -97.2 178.2 148.8 -33.4 44.0 78 72 A S - 0 0 73 868,-0.1 2,-0.8 -2,-0.1 867,-0.2 -0.443 49.0-133.7 -60.7 136.9 152.5 -33.5 43.1 79 73 A I B -A 944 0A 2 865,-2.9 865,-2.3 -2,-0.1 -1,-0.1 -0.890 25.0-127.9 -98.4 111.0 152.9 -33.8 39.3 80 74 A S - 0 0 70 -2,-0.8 -52,-0.1 863,-0.2 864,-0.0 -0.216 27.0 -99.4 -57.8 143.2 155.5 -36.6 38.8 81 75 A A - 0 0 46 1,-0.1 862,-0.1 862,-0.1 861,-0.1 -0.450 46.5-117.8 -61.0 133.6 158.5 -35.8 36.5 82 76 A P - 0 0 20 0, 0.0 859,-0.1 0, 0.0 -1,-0.1 -0.355 29.1 -94.0 -72.5 155.6 157.8 -37.2 33.1 83 77 A E + 0 0 79 1,-0.1 -51,-0.1 -2,-0.1 -50,-0.0 -0.381 39.7 178.6 -59.9 147.6 159.9 -39.9 31.5 84 78 A H + 0 0 129 -3,-0.1 2,-0.7 -49,-0.0 -1,-0.1 0.430 47.5 100.2-131.2 -11.1 162.6 -38.4 29.2 85 79 A K + 0 0 170 2,-0.0 2,-0.4 -49,-0.0 -52,-0.0 -0.744 47.6 166.5 -86.3 112.1 164.5 -41.4 27.9 86 80 A F - 0 0 18 -2,-0.7 3,-0.1 1,-0.1 -2,-0.0 -0.971 33.7-155.3-131.1 145.9 163.3 -42.3 24.4 87 81 A E - 0 0 169 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.764 68.2 -50.3 -87.5 -30.4 164.8 -44.7 21.8 88 82 A G > - 0 0 18 1,-0.1 4,-2.2 0, 0.0 -1,-0.3 -0.982 65.4 -64.6 173.0-179.1 163.2 -43.0 18.7 89 83 A L H > S+ 0 0 4 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.900 124.8 50.6 -59.4 -46.7 160.2 -41.6 16.9 90 84 A T H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.936 110.9 48.8 -59.1 -47.9 158.4 -45.0 16.7 91 85 A Q H > S+ 0 0 47 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 109.0 53.8 -60.2 -41.0 158.8 -45.7 20.4 92 86 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.947 112.9 42.4 -59.0 -48.0 157.6 -42.2 21.3 93 87 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.814 111.9 54.2 -72.8 -28.8 154.4 -42.7 19.3 94 88 A Q H X S+ 0 0 55 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.942 113.5 43.1 -62.8 -49.1 153.9 -46.3 20.6 95 89 A K H X S+ 0 0 60 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.900 113.9 51.8 -61.6 -43.8 154.1 -45.0 24.1 96 90 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.905 109.4 48.6 -62.8 -43.7 151.9 -42.1 23.3 97 91 A Y H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.930 112.2 48.4 -63.6 -45.1 149.2 -44.3 21.7 98 92 A E H X S+ 0 0 103 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.908 111.6 51.6 -57.8 -42.1 149.2 -46.6 24.8 99 93 A H H X S+ 0 0 40 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.915 108.0 50.4 -61.3 -45.1 149.0 -43.5 27.0 100 94 A E H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.861 107.3 54.7 -63.0 -36.0 146.0 -42.2 25.0 101 95 A Q H X S+ 0 0 81 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.902 108.3 49.3 -61.5 -41.3 144.3 -45.6 25.5 102 96 A H H X S+ 0 0 79 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.902 110.5 49.9 -64.5 -42.9 144.8 -45.3 29.2 103 97 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.928 110.4 50.4 -61.0 -45.1 143.3 -41.8 29.2 104 98 A S H X S+ 0 0 12 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.929 110.2 49.9 -58.4 -46.5 140.3 -43.0 27.2 105 99 A E H X S+ 0 0 114 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.903 108.7 52.7 -57.7 -43.6 139.8 -45.9 29.7 106 100 A S H X S+ 0 0 10 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.884 110.8 46.7 -61.8 -40.6 140.0 -43.4 32.6 107 101 A I H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 3,-0.3 0.932 109.0 54.5 -67.8 -45.5 137.3 -41.2 31.1 108 102 A N H X S+ 0 0 35 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.871 107.1 52.9 -51.6 -40.8 135.1 -44.2 30.4 109 103 A N H X S+ 0 0 61 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.850 109.1 47.4 -66.3 -37.7 135.3 -45.1 34.1 110 104 A I H X S+ 0 0 3 -4,-1.4 4,-2.4 -3,-0.3 -2,-0.2 0.927 113.1 48.0 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160.7 -44.1 -30.3 259 80 B F - 0 0 16 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.942 32.8-140.1-136.6 156.0 162.4 -43.0 -27.1 260 81 B E - 0 0 170 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.783 69.6 -57.4 -86.6 -31.4 164.6 -44.7 -24.5 261 82 B G > - 0 0 17 1,-0.1 4,-2.2 0, 0.0 -1,-0.3 -0.972 63.9 -62.1 168.7-178.1 163.2 -43.0 -21.4 262 83 B L H > S+ 0 0 3 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.904 125.9 49.5 -60.5 -47.5 162.6 -39.8 -19.6 263 84 B T H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 111.8 48.9 -59.1 -46.9 166.3 -38.8 -19.3 264 85 B Q H > S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.892 109.0 53.5 -61.7 -41.8 166.9 -39.4 -23.0 265 86 B I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.938 113.0 42.7 -58.5 -47.4 163.8 -37.4 -24.0 266 87 B F H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.793 112.4 53.0 -74.6 -26.7 165.0 -34.3 -22.0 267 88 B Q H X S+ 0 0 73 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.916 113.7 44.1 -66.8 -45.0 168.6 -34.7 -23.1 268 89 B K H X S+ 0 0 62 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.914 114.4 50.4 -63.2 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0.893 108.5 53.5 -58.2 -43.2 171.1 -20.8 -32.4 279 100 B S H X S+ 0 0 14 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.886 110.4 46.1 -62.3 -41.3 168.6 -20.4 -35.3 280 101 B I H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.913 109.0 55.3 -68.0 -43.6 167.1 -17.3 -33.7 281 102 B N H X S+ 0 0 98 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.871 106.6 52.7 -53.2 -40.8 170.5 -15.8 -33.0 282 103 B N H X S+ 0 0 88 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.858 109.7 47.1 -65.1 -39.0 171.3 -16.3 -36.7 283 104 B I H X S+ 0 0 2 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.926 113.4 47.6 -68.6 -45.7 168.2 -14.4 -37.8 284 105 B V H X S+ 0 0 17 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.916 111.6 51.9 -61.9 -42.4 168.7 -11.5 -35.4 285 106 B D H X S+ 0 0 68 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.912 110.2 47.9 -59.3 -45.0 172.4 -11.3 -36.5 286 107 B H H X S+ 0 0 51 -4,-2.0 4,-2.2 1,-0.2 6,-0.3 0.862 107.5 56.2 -66.6 -35.6 171.3 -11.1 -40.2 287 108 B A H <>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 4,-0.4 0.918 109.3 46.6 -59.5 -44.9 168.7 -8.4 -39.3 288 109 B I H ><5S+ 0 0 83 -4,-2.1 3,-1.3 3,-0.2 -2,-0.2 0.942 112.4 49.8 -61.0 -48.8 171.5 -6.3 -37.8 289 110 B K H 3<5S+ 0 0 146 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.841 114.8 43.8 -59.4 -35.6 173.8 -6.9 -40.8 290 111 B S T 3<5S- 0 0 49 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.404 110.6-120.9 -91.6 2.0 171.1 -6.0 -43.3 291 112 B K T < 5 + 0 0 175 -3,-1.3 2,-1.5 -4,-0.4 -3,-0.2 0.740 61.1 150.5 61.1 26.7 170.0 -2.9 -41.2 292 113 B D >< + 0 0 26 -5,-2.4 4,-2.0 -6,-0.3 -1,-0.2 -0.652 9.2 162.8 -88.1 84.9 166.5 -4.4 -40.9 293 114 B H H > + 0 0 103 -2,-1.5 4,-2.6 2,-0.2 5,-0.2 0.717 66.5 64.9 -85.8 -15.8 165.6 -3.0 -37.5 294 115 B A H > S+ 0 0 60 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.942 110.3 40.6 -60.5 -47.6 161.9 -3.6 -37.8 295 116 B T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.920 113.8 52.7 -68.9 -44.0 162.7 -7.3 -37.8 296 117 B F H < S+ 0 0 60 -4,-2.0 4,-0.5 1,-0.2 -2,-0.2 0.948 113.6 44.0 -53.2 -52.7 165.4 -6.9 -35.1 297 118 B N H >< S+ 0 0 120 -4,-2.6 3,-1.1 1,-0.2 4,-0.3 0.904 112.3 52.5 -60.4 -45.1 162.9 -5.1 -32.9 298 119 B F H >< S+ 0 0 38 -4,-2.4 3,-0.8 1,-0.2 4,-0.4 0.881 104.3 56.9 -58.3 -40.7 160.1 -7.6 -33.6 299 120 B L T 3X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 3,-0.4 0.576 80.9 90.1 -72.8 -9.0 162.2 -10.6 -32.7 300 121 B Q H <> S+ 0 0 73 -3,-1.1 4,-2.5 -4,-0.5 -1,-0.2 0.863 84.4 50.9 -62.0 -38.3 163.0 -9.4 -29.2 301 122 B W H <> S+ 0 0 62 -3,-0.8 4,-2.6 -4,-0.3 -1,-0.3 0.882 113.2 48.8 -60.3 -36.0 159.9 -11.1 -27.5 302 123 B Y H > S+ 0 0 0 -3,-0.4 4,-2.7 -4,-0.4 5,-0.2 0.902 109.3 50.3 -74.7 -43.3 161.0 -14.3 -29.3 303 124 B V H X S+ 0 0 46 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.938 114.9 45.0 -55.3 -49.3 164.6 -14.0 -28.2 304 125 B A H X S+ 0 0 62 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.920 115.1 45.8 -64.8 -45.9 163.4 -13.5 -24.6 305 126 B E H X S+ 0 0 70 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.900 112.5 50.5 -66.9 -41.2 160.9 -16.3 -24.6 306 127 B Q H X S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.891 107.8 53.7 -63.6 -40.4 163.3 -18.8 -26.2 307 128 B H H X S+ 0 0 116 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.934 109.4 48.5 -58.1 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0.901 112.1 52.3 -62.4 -43.3 166.7 -9.9 24.0 990 119 F F H >< S+ 0 0 41 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.884 104.5 56.7 -59.9 -39.7 164.3 -12.8 24.1 991 120 F L T 3X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 3,-0.4 0.546 80.3 91.4 -73.8 -6.5 163.5 -12.3 27.8 992 121 F Q H <> S+ 0 0 75 -3,-1.1 4,-2.4 -4,-0.4 -1,-0.2 0.869 83.7 51.0 -63.4 -38.5 162.3 -8.7 27.4 993 122 F W H <> S+ 0 0 62 -3,-0.7 4,-2.5 -4,-0.3 -1,-0.3 0.866 112.8 49.7 -60.0 -34.7 158.6 -9.5 26.8 994 123 F Y H > S+ 0 0 0 -3,-0.4 4,-2.6 -4,-0.4 5,-0.2 0.894 108.6 50.0 -76.2 -42.5 158.8 -11.6 30.0 995 124 F V H X S+ 0 0 45 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.940 114.9 46.0 -54.8 -49.2 160.4 -8.8 32.1 996 125 F A H X S+ 0 0 61 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.918 114.8 45.1 -64.4 -45.7 157.7 -6.4 30.9 997 126 F E H X S+ 0 0 59 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.904 112.8 50.9 -68.2 -40.4 154.8 -8.8 31.5 998 127 F Q H X S+ 0 0 3 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.899 107.8 53.0 -64.1 -40.7 156.1 -9.9 34.9 999 128 F H H X S+ 0 0 115 -4,-2.2 4,-2.5 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1019 148 F N T 3 5S- 0 0 163 1,-0.3 3,-0.3 2,-0.1 4,-0.1 -0.346 139.0 -15.4 54.3-120.6 130.9 -5.1 57.3 1020 149 F H T 3>5S+ 0 0 146 1,-0.2 4,-2.6 -2,-0.1 -1,-0.3 0.034 101.0 124.5 -97.8 24.8 130.5 -5.9 53.6 1021 150 F G H <>5 + 0 0 2 -3,-1.8 4,-2.8 1,-0.2 5,-0.2 0.866 69.3 48.1 -54.1 -49.0 134.3 -5.7 53.1 1022 151 F L H > S+ 0 0 146 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.946 112.9 47.0 -58.0 -50.8 131.9 -8.6 49.1 1024 153 F L H X S+ 0 0 96 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.916 114.3 47.0 -58.6 -45.7 133.3 -5.2 48.1 1025 154 F A H X S+ 0 0 3 -4,-2.8 4,-2.3 -9,-0.2 -1,-0.2 0.919 112.3 49.5 -63.7 -44.3 136.8 -6.6 47.6 1026 155 F D H X S+ 0 0 4 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.882 110.9 49.8 -63.5 -38.5 135.6 -9.6 45.7 1027 156 F Q H X S+ 0 0 72 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.873 109.5 52.1 -67.0 -37.8 133.5 -7.4 43.3 1028 157 F Y H X S+ 0 0 98 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.930 112.0 45.1 -60.7 -46.9 136.5 -5.1 42.8 1029 158 F V H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.872 109.1 57.1 -67.0 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