==== 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 11-SEP-08 3EGM . COMPND 2 MOLECULE: FERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR K.H.KIM,K.J.CHO,H.J.SHIN,J.H.LEE . 1032 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 824 79.8 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 . 29 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 713 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.0 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 5 0 0 0 0 0 0 0 0 2 4 0 0 0 0 0 0 0 5 0 0 6 2 8 3 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 -5 A H 0 0 152 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.0 16.5 1.5 57.5 2 -4 A H - 0 0 141 904,-0.0 2,-0.3 0, 0.0 903,-0.1 -0.719 360.0-167.5 -91.5 130.9 19.7 -0.1 56.4 3 -3 A S - 0 0 22 -2,-0.4 901,-0.1 901,-0.1 902,-0.0 -0.898 32.3 -95.8-112.5 148.4 21.2 0.6 52.9 4 -2 A Q - 0 0 130 -2,-0.3 3,-0.1 1,-0.1 902,-0.1 -0.273 42.0-105.0 -65.5 144.4 24.0 -1.4 51.3 5 -1 A D - 0 0 119 1,-0.2 -1,-0.1 2,-0.1 67,-0.1 -0.171 53.3 -73.7 -57.6 156.6 27.6 -0.2 51.5 6 0 A P - 0 0 60 0, 0.0 65,-0.2 0, 0.0 -1,-0.2 -0.304 39.2-142.5 -51.4 138.0 29.3 1.4 48.5 7 1 A M S S+ 0 0 130 63,-2.9 2,-0.3 -3,-0.1 64,-0.1 0.463 76.5 72.4 -88.7 -3.7 30.1 -1.3 46.0 8 2 A L S S- 0 0 15 62,-0.4 2,-0.0 59,-0.1 59,-0.0 -0.787 87.9-102.0-112.0 156.4 33.4 0.3 44.9 9 3 A S > - 0 0 54 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.308 34.6-109.3 -71.1 159.2 36.7 0.5 46.8 10 4 A K H > S+ 0 0 180 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.863 116.8 50.8 -58.8 -40.9 37.8 3.8 48.4 11 5 A D H > S+ 0 0 97 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 112.1 45.8 -64.0 -43.0 40.5 4.6 45.9 12 6 A I H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.883 111.1 53.8 -69.2 -40.1 38.2 4.1 42.9 13 7 A I H X S+ 0 0 21 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.927 110.0 48.0 -54.9 -49.2 35.5 6.2 44.6 14 8 A K H X S+ 0 0 131 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.938 113.7 45.9 -59.7 -49.9 38.0 9.0 45.1 15 9 A L H X S+ 0 0 30 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.863 114.6 47.7 -62.8 -39.4 39.2 8.9 41.4 16 10 A L H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.912 112.5 48.2 -70.8 -43.4 35.7 8.7 40.0 17 11 A N H X S+ 0 0 6 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.892 110.9 51.3 -62.2 -40.5 34.4 11.6 42.1 18 12 A E H X S+ 0 0 90 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.880 108.5 53.4 -60.6 -37.5 37.4 13.7 41.2 19 13 A Q H X S+ 0 0 4 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.852 103.2 54.9 -68.4 -38.9 36.6 12.9 37.5 20 14 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.941 111.5 46.0 -56.8 -46.5 33.0 14.1 37.9 21 15 A N H X S+ 0 0 18 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.854 109.3 54.3 -67.8 -35.2 34.5 17.4 39.1 22 16 A K H X S+ 0 0 66 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.888 109.2 48.6 -60.1 -42.8 37.1 17.5 36.3 23 17 A E H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.843 110.9 49.7 -69.8 -34.9 34.3 17.1 33.7 24 18 A M H X S+ 0 0 9 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.900 112.9 47.1 -68.2 -42.5 32.2 19.9 35.3 25 19 A N H X S+ 0 0 50 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.916 111.6 51.4 -60.4 -46.0 35.2 22.2 35.4 26 20 A S H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.911 106.6 53.8 -57.4 -47.1 36.0 21.3 31.8 27 21 A S H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.892 109.4 48.3 -55.5 -44.1 32.4 22.1 30.7 28 22 A N H X S+ 0 0 8 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.861 109.4 53.0 -66.5 -36.9 32.7 25.6 32.3 29 23 A L H X S+ 0 0 12 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.900 109.6 48.0 -64.3 -44.3 36.0 26.2 30.6 30 24 A Y H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.842 108.8 53.6 -68.0 -34.0 34.6 25.3 27.2 31 25 A M H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.887 111.7 46.8 -62.9 -39.2 31.5 27.6 27.8 32 26 A S H X S+ 0 0 8 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.922 114.0 46.1 -66.8 -47.7 34.0 30.4 28.6 33 27 A M H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.876 112.5 52.3 -60.4 -41.5 36.1 29.7 25.5 34 28 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.935 108.7 49.8 -58.7 -49.9 32.9 29.4 23.4 35 29 A S H X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.875 106.8 54.8 -60.0 -42.0 31.7 32.9 24.7 36 30 A W H < S+ 0 0 39 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.941 110.3 47.0 -55.6 -47.1 35.1 34.4 23.8 37 31 A C H ><>S+ 0 0 0 -4,-1.9 5,-2.9 1,-0.2 3,-1.3 0.930 111.3 50.5 -62.6 -46.4 34.7 33.2 20.2 38 32 A Y H ><5S+ 0 0 42 -4,-2.5 3,-0.8 1,-0.3 -1,-0.2 0.821 110.9 48.8 -58.3 -37.0 31.1 34.4 20.0 39 33 A T T 3<5S+ 0 0 20 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.384 111.0 52.2 -87.7 3.0 32.0 37.9 21.2 40 34 A H T < 5S- 0 0 66 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 -0.067 122.7 -97.8-126.6 31.2 34.9 38.1 18.7 41 35 A S T < 5S+ 0 0 64 -3,-0.8 2,-0.9 1,-0.1 3,-0.2 0.526 90.3 120.6 69.3 11.7 33.0 37.2 15.5 42 36 A L >< + 0 0 8 -5,-2.9 4,-2.4 -6,-0.2 -1,-0.1 -0.589 22.0 153.9-104.7 68.9 34.0 33.5 15.6 43 37 A D H > + 0 0 76 -2,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.725 68.7 61.3 -74.0 -19.6 30.5 31.9 15.8 44 38 A G H > S+ 0 0 0 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.964 111.9 36.2 -64.3 -56.1 31.8 28.7 14.2 45 39 A A H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.884 114.6 60.0 -63.6 -38.0 34.2 28.0 17.0 46 40 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.934 109.9 40.6 -52.8 -50.8 31.6 29.5 19.4 47 41 A L H X S+ 0 0 35 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.928 114.8 51.5 -65.6 -47.2 29.1 26.8 18.4 48 42 A F H X S+ 0 0 5 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.915 113.8 43.9 -56.2 -47.0 31.7 24.0 18.3 49 43 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.831 111.8 53.1 -72.0 -34.2 33.0 24.8 21.8 50 44 A F H X S+ 0 0 15 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.932 111.3 46.1 -62.0 -50.0 29.4 25.3 23.2 51 45 A D H X S+ 0 0 43 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.874 112.1 51.7 -62.5 -37.0 28.4 21.8 21.9 52 46 A H H X S+ 0 0 10 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.891 107.0 53.4 -66.5 -39.3 31.7 20.4 23.3 53 47 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.932 107.8 50.3 -58.3 -47.5 31.0 21.9 26.7 54 48 A A H X S+ 0 0 13 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.843 108.8 53.9 -59.3 -35.3 27.5 20.3 26.8 55 49 A E H X S+ 0 0 71 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.864 104.4 52.4 -68.7 -39.9 29.2 16.9 25.9 56 50 A E H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.900 108.6 51.8 -63.2 -39.0 31.7 17.1 28.8 57 51 A Y H X S+ 0 0 6 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.864 104.6 56.3 -64.1 -36.0 28.7 17.7 31.1 58 52 A E H X S+ 0 0 56 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.855 106.0 51.7 -61.5 -37.0 27.1 14.6 29.6 59 53 A H H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.886 107.2 52.1 -63.8 -43.5 30.2 12.6 30.6 60 54 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.921 109.7 50.2 -57.3 -46.0 29.9 14.0 34.2 61 55 A K H X S+ 0 0 21 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.886 108.8 50.5 -59.7 -42.9 26.3 12.8 34.3 62 56 A K H X S+ 0 0 77 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.855 111.4 48.6 -66.4 -36.7 27.2 9.3 33.0 63 57 A L H X S+ 0 0 3 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.914 110.0 52.1 -65.2 -45.9 29.9 9.0 35.7 64 58 A I H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.907 107.0 53.6 -55.0 -45.1 27.4 10.2 38.4 65 59 A I H X S+ 0 0 77 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.899 108.3 49.7 -56.9 -43.7 24.9 7.5 37.2 66 60 A F H X S+ 0 0 8 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.880 112.2 47.4 -64.6 -39.1 27.6 4.8 37.7 67 61 A L H <>S+ 0 0 0 -4,-2.1 5,-2.8 2,-0.2 3,-0.5 0.949 112.2 50.2 -65.8 -50.4 28.4 6.1 41.2 68 62 A N H ><5S+ 0 0 5 -4,-3.1 3,-1.9 1,-0.2 -2,-0.2 0.916 108.6 51.8 -49.0 -49.8 24.6 6.2 42.0 69 63 A E H 3<5S+ 0 0 118 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.784 109.7 50.2 -65.5 -27.1 24.1 2.6 40.8 70 64 A N T 3<5S- 0 0 13 -4,-1.2 -63,-2.9 -3,-0.5 -62,-0.4 0.208 116.6-113.5 -91.3 12.3 27.0 1.4 43.0 71 65 A N T < 5 + 0 0 36 -3,-1.9 -3,-0.2 -65,-0.2 -2,-0.1 0.841 67.0 150.5 55.4 36.5 25.6 3.2 46.1 72 66 A V < - 0 0 0 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.876 50.5-117.8-102.5 121.6 28.6 5.5 46.1 73 67 A P - 0 0 58 0, 0.0 2,-0.5 0, 0.0 -56,-0.1 -0.359 24.3-129.5 -56.8 128.5 28.0 9.1 47.4 74 68 A V - 0 0 6 822,-0.2 2,-0.7 823,-0.2 827,-0.1 -0.725 21.0-159.6 -78.2 124.6 28.6 11.7 44.8 75 69 A Q - 0 0 116 -2,-0.5 2,-0.5 -61,-0.1 -54,-0.2 -0.829 7.8-172.6-113.6 92.2 31.0 14.3 46.2 76 70 A L - 0 0 16 -2,-0.7 2,-0.2 817,-0.1 -58,-0.1 -0.734 8.5-168.6 -85.0 126.2 30.7 17.6 44.3 77 71 A T - 0 0 76 -2,-0.5 2,-0.2 1,-0.1 867,-0.1 -0.455 41.4 -62.4-102.7 178.2 33.4 20.1 45.4 78 72 A S - 0 0 74 -2,-0.2 2,-0.8 868,-0.1 867,-0.2 -0.465 48.0-140.2 -62.0 129.3 33.7 23.8 44.6 79 73 A I B -A 944 0A 5 865,-2.7 865,-2.9 -2,-0.2 -1,-0.1 -0.854 21.7-133.4 -94.6 105.6 34.1 24.2 40.8 80 74 A S - 0 0 75 -2,-0.8 862,-0.0 863,-0.2 863,-0.0 -0.225 30.6 -92.3 -57.6 147.1 36.6 27.0 40.4 81 75 A A - 0 0 47 1,-0.1 862,-0.2 862,-0.0 861,-0.1 -0.353 46.8-116.2 -59.9 139.4 35.8 29.8 37.9 82 76 A P - 0 0 13 0, 0.0 859,-0.1 0, 0.0 -1,-0.1 -0.419 34.2 -89.6 -74.4 155.7 37.2 29.0 34.4 83 77 A E + 0 0 80 1,-0.1 -51,-0.1 -2,-0.1 3,-0.0 -0.346 40.6 179.8 -56.5 142.1 39.8 31.2 32.7 84 78 A H + 0 0 133 -3,-0.1 2,-0.6 -49,-0.0 -1,-0.1 0.462 51.5 93.4-123.2 -12.3 38.2 34.0 30.6 85 79 A K + 0 0 169 2,-0.0 2,-0.3 -49,-0.0 -52,-0.0 -0.766 50.2 165.8 -91.8 117.2 41.2 35.8 29.2 86 80 A F - 0 0 19 -2,-0.6 3,-0.1 1,-0.1 -2,-0.0 -0.958 33.7-150.9-132.9 153.9 42.2 34.5 25.7 87 81 A E - 0 0 163 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.764 67.4 -51.7 -92.3 -31.0 44.5 35.9 23.0 88 82 A G > - 0 0 20 1,-0.1 4,-2.1 0, 0.0 -1,-0.3 -0.971 65.7 -65.0 171.9-179.7 42.9 34.5 19.9 89 83 A L H > S+ 0 0 4 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.894 125.8 51.0 -60.7 -46.1 41.5 31.4 18.1 90 84 A T H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.937 111.3 47.7 -58.5 -47.7 44.9 29.6 17.9 91 85 A Q H > S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.878 109.5 53.9 -65.2 -38.1 45.6 30.1 21.6 92 86 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.953 112.9 42.5 -58.4 -48.8 42.2 28.8 22.6 93 87 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.792 112.2 53.5 -73.7 -27.0 42.7 25.6 20.6 94 88 A Q H X S+ 0 0 57 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.927 113.5 43.7 -65.4 -46.4 46.3 25.2 21.8 95 89 A K H X S+ 0 0 60 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.898 114.5 50.4 -64.0 -42.6 45.0 25.4 25.4 96 90 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.914 109.5 49.3 -64.3 -45.9 42.0 23.2 24.6 97 91 A Y H X S+ 0 0 6 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.921 112.3 48.3 -59.8 -45.6 44.2 20.5 23.0 98 92 A E H X S+ 0 0 101 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.880 111.1 52.2 -60.3 -38.9 46.5 20.5 26.0 99 93 A H H X S+ 0 0 30 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.916 108.0 50.1 -62.5 -44.9 43.4 20.3 28.2 100 94 A E H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.850 107.2 55.0 -63.6 -36.0 42.1 17.2 26.3 101 95 A Q H X S+ 0 0 81 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.913 108.7 48.2 -60.4 -43.3 45.5 15.6 26.7 102 96 A H H X S+ 0 0 89 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.902 111.3 50.0 -63.9 -41.8 45.3 16.1 30.5 103 97 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.928 110.1 50.4 -62.4 -45.0 41.7 14.7 30.5 104 98 A S H X S+ 0 0 13 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.929 110.8 49.7 -57.3 -46.6 42.9 11.6 28.5 105 99 A E H X S+ 0 0 133 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.900 108.2 53.0 -58.8 -43.7 45.7 11.1 31.0 106 100 A S H X S+ 0 0 15 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.897 110.6 47.2 -61.2 -40.9 43.3 11.3 34.0 107 101 A I H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.903 108.0 54.9 -66.5 -42.8 41.1 8.6 32.4 108 102 A N H X S+ 0 0 32 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.871 106.8 53.9 -57.1 -38.4 44.1 6.4 31.7 109 103 A N H X S+ 0 0 64 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.884 107.9 47.1 -61.3 -45.6 45.0 6.7 35.4 110 104 A I H X S+ 0 0 1 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.925 113.5 49.1 -63.5 -42.4 41.5 5.5 36.6 111 105 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.885 110.4 50.9 -66.4 -38.5 41.6 2.6 34.2 112 106 A D H X S+ 0 0 19 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.886 110.3 49.1 -64.9 -39.4 45.1 1.6 35.3 113 107 A H H X S+ 0 0 40 -4,-2.1 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0.942 111.9 43.1 -60.7 -47.3 35.9 25.1 8.8 164 158 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.876 109.3 58.1 -66.8 -39.4 35.1 24.6 12.5 165 159 A K H X S+ 0 0 37 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.918 105.3 51.2 -53.7 -47.2 31.4 25.7 11.9 166 160 A G H X S+ 0 0 43 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.871 110.7 47.7 -58.0 -41.9 31.2 22.8 9.3 167 161 A I H X S+ 0 0 26 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.944 110.8 51.4 -64.9 -47.3 32.6 20.3 11.9 168 162 A A H X S+ 0 0 4 -4,-2.8 4,-0.6 1,-0.2 3,-0.3 0.921 112.9 45.1 -54.8 -48.6 30.2 21.6 14.6 169 163 A K H >< S+ 0 0 132 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.873 110.4 53.2 -66.5 -38.8 27.1 21.2 12.3 170 164 A S H 3< S+ 0 0 92 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.764 106.0 55.6 -67.6 -25.0 28.2 17.7 11.0 171 165 A R H 3< 0 0 110 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.607 360.0 360.0 -85.7 -13.8 28.5 16.4 14.6 172 166 A K << 0 0 150 -3,-0.8 -3,-0.1 -4,-0.6 -4,-0.0 0.146 360.0 360.0-108.9 360.0 24.9 17.4 15.7 173 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 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B D H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 112.5 46.9 -67.1 -43.2 13.3 38.6 -45.9 185 6 B I H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.889 112.1 51.6 -65.3 -40.2 12.3 36.5 -43.0 186 7 B I H X S+ 0 0 30 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.930 109.7 49.2 -60.2 -49.5 13.8 33.4 -44.6 187 8 B K H X S+ 0 0 89 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.937 113.0 47.3 -56.6 -47.7 17.1 35.2 -45.2 188 9 B L H X S+ 0 0 18 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.832 113.5 47.1 -64.6 -37.8 17.2 36.4 -41.5 189 10 B L H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.892 112.5 48.9 -72.6 -42.3 16.4 33.0 -40.1 190 11 B N H X S+ 0 0 12 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.886 111.3 50.2 -62.2 -40.2 18.9 31.2 -42.2 191 12 B E H X S+ 0 0 99 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.890 110.0 52.2 -62.4 -38.1 21.6 33.8 -41.2 192 13 B Q H X S+ 0 0 6 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.872 105.5 53.2 -67.5 -40.3 20.6 33.2 -37.6 193 14 B V H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.943 113.4 43.7 -57.3 -48.7 21.0 29.4 -37.9 194 15 B N H X S+ 0 0 11 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.849 110.3 56.0 -69.2 -33.5 24.5 29.9 -39.2 195 16 B K H X S+ 0 0 81 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.907 108.3 47.8 -61.1 -46.1 25.3 32.6 -36.6 196 17 B E H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.842 111.0 51.2 -64.6 -36.3 24.4 30.1 -33.8 197 18 B M H X S+ 0 0 6 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.918 111.6 46.6 -68.6 -42.7 26.6 27.4 -35.4 198 19 B N H X S+ 0 0 47 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.902 114.0 49.4 -59.0 -44.6 29.5 29.8 -35.6 199 20 B S H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.901 106.6 54.8 -63.7 -44.9 28.9 30.8 -32.0 200 21 B S H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.911 109.3 47.4 -56.1 -46.6 28.7 27.2 -30.8 201 22 B N H X S+ 0 0 8 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.827 108.6 54.7 -66.3 -32.9 32.1 26.5 -32.3 202 23 B L H X S+ 0 0 23 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.930 108.8 48.9 -61.3 -46.1 33.6 29.7 -30.8 203 24 B Y H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.862 108.3 53.4 -63.4 -35.9 32.4 28.5 -27.4 204 25 B M H X S+ 0 0 1 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-3,-1.4 2,-1.4 -4,-0.5 -3,-0.2 0.761 60.5 149.8 62.8 27.3 12.0 48.6 28.2 984 113 F D >< + 0 0 26 -5,-2.6 4,-2.1 -6,-0.2 -1,-0.2 -0.666 9.3 161.8 -88.8 83.7 14.1 45.6 27.1 985 114 F H H > + 0 0 108 -2,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.677 66.7 64.4 -85.8 -15.1 11.2 43.6 25.5 986 115 F A H > S+ 0 0 65 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.922 110.8 40.2 -64.0 -44.3 13.4 41.3 23.5 987 116 F T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.916 113.7 53.5 -70.3 -45.1 14.6 40.0 26.9 988 117 F F H < S+ 0 0 58 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.940 113.7 43.5 -48.9 -51.2 11.1 40.1 28.4 989 118 F N H >< S+ 0 0 122 -4,-2.4 3,-1.2 1,-0.2 4,-0.3 0.905 111.2 53.7 -66.7 -42.8 9.9 38.0 25.4 990 119 F F H >< S+ 0 0 39 -4,-2.3 3,-0.6 1,-0.2 4,-0.4 0.863 104.3 56.6 -56.5 -38.5 12.8 35.6 25.5 991 120 F L T 3X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-0.4 0.573 80.8 90.2 -76.1 -8.7 12.2 34.8 29.2 992 121 F Q H <> S+ 0 0 78 -3,-1.2 4,-2.2 -4,-0.4 -1,-0.2 0.846 85.2 50.3 -61.2 -40.1 8.6 33.7 28.8 993 122 F W H <> S+ 0 0 60 -3,-0.6 4,-2.5 -4,-0.3 -1,-0.3 0.869 113.2 49.8 -59.7 -34.9 9.5 30.0 28.2 994 123 F Y H > S+ 0 0 0 -3,-0.4 4,-2.5 -4,-0.4 -2,-0.2 0.911 109.2 48.6 -76.3 -44.9 11.6 30.2 31.3 995 124 F V H X S+ 0 0 43 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.930 115.4 46.8 -53.9 -48.6 8.9 31.8 33.5 996 125 F A H X S+ 0 0 62 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.930 114.3 44.4 -65.2 -50.6 6.4 29.1 32.3 997 126 F E H X S+ 0 0 63 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.875 113.2 52.0 -63.7 -38.9 8.7 26.1 32.8 998 127 F Q H X S+ 0 0 3 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.904 107.0 52.8 -65.8 -41.0 9.9 27.4 36.2 999 128 F H H X S+ 0 0 119 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.921 109.3 49.2 -57.4 -44.3 6.3 27.8 37.4 1000 129 F E H X S+ 0 0 79 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.888 112.0 49.4 -62.2 -39.2 5.6 24.2 36.4 1001 130 F E H X S+ 0 0 6 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.921 110.5 49.1 -65.6 -46.0 8.7 23.1 38.3 1002 131 F E H X S+ 0 0 42 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.915 112.3 48.1 -58.9 -46.0 7.7 25.0 41.4 1003 132 F V H X S+ 0 0 46 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.900 109.1 55.4 -59.8 -43.0 4.2 23.5 41.3 1004 133 F L H X S+ 0 0 15 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.927 109.2 45.1 -55.0 -50.6 5.7 20.0 40.9 1005 134 F F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.867 111.6 53.0 -65.3 -37.6 7.8 20.4 44.0 1006 135 F K H X S+ 0 0 72 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.926 111.6 47.1 -56.9 -48.3 4.8 21.8 45.9 1007 136 F D H X S+ 0 0 62 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.874 113.2 46.8 -63.4 -42.3 2.8 18.6 44.8 1008 137 F I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.932 113.0 48.7 -67.5 -44.2 5.6 16.2 45.7 1009 138 F L H X S+ 0 0 8 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.927 110.4 52.1 -59.2 -48.4 6.1 17.8 49.1 1010 139 F D H X S+ 0 0 82 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.906 112.3 46.3 -49.8 -47.3 2.3 17.7 49.7 1011 140 F K H X S+ 0 0 73 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.891 110.2 51.1 -67.0 -44.1 2.3 14.0 48.9 1012 141 F I H X S+ 0 0 6 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.924 113.7 46.4 -58.2 -45.5 5.3 13.1 51.1 1013 142 F E H < S+ 0 0 104 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.848 112.3 50.8 -64.8 -36.9 3.6 15.0 54.0 1014 143 F L H < S+ 0 0 130 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.917 113.4 44.2 -66.5 -45.0 0.3 13.2 53.3 1015 144 F I H < S- 0 0 44 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.927 95.7-159.1 -67.5 -49.2 1.8 9.7 53.2 1016 145 F G < - 0 0 23 -4,-2.2 9,-0.2 -5,-0.2 -2,-0.1 -0.111 28.8 -94.5 85.5 169.7 4.0 10.1 56.3 1017 146 F N S >S+ 0 0 125 4,-0.2 5,-0.5 -4,-0.1 4,-0.2 0.457 79.3 123.8-102.5 -3.1 7.1 8.0 57.1 1018 147 F E T > 5S- 0 0 115 3,-0.1 3,-2.5 -3,-0.1 2,-0.1 -0.182 81.8 -25.9 -56.4 146.4 5.3 5.5 59.3 1019 148 F N T 3 5S- 0 0 128 1,-0.3 3,-0.3 2,-0.1 4,-0.1 -0.312 138.3 -12.2 47.6-121.6 5.7 1.9 58.5 1020 149 F H T 3>5S+ 0 0 115 1,-0.2 4,-2.3 -2,-0.1 -1,-0.3 -0.070 99.0 120.2 -97.7 29.3 6.3 1.7 54.8 1021 150 F G H <>5S+ 0 0 2 -3,-2.5 4,-2.9 1,-0.2 5,-0.2 0.870 72.7 54.3 -55.7 -42.4 5.5 5.3 54.1 1022 151 F L H > S+ 0 0 139 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.937 112.5 48.9 -55.1 -49.6 8.6 3.2 50.3 1024 153 F L H X S+ 0 0 83 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.922 112.8 45.9 -59.6 -48.9 5.2 4.6 49.2 1025 154 F A H X S+ 0 0 2 -4,-2.9 4,-2.2 -9,-0.2 -1,-0.2 0.910 113.3 50.7 -60.3 -42.5 6.4 8.2 48.8 1026 155 F D H X S+ 0 0 3 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.894 109.9 49.0 -64.5 -40.6 9.5 7.0 46.9 1027 156 F Q H X S+ 0 0 69 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.876 109.6 53.0 -65.6 -37.9 7.4 4.9 44.5 1028 157 F Y H X S+ 0 0 80 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.909 111.3 45.3 -62.1 -44.5 5.1 7.8 43.9 1029 158 F V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.881 109.6 56.2 -66.7 -38.7 8.1 10.0 43.0 1030 159 F K H X S+ 0 0 40 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.904 105.6 52.0 -56.3 -45.4 9.5 7.2 40.8 1031 160 F G H X S+ 0 0 42 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.889 110.7 47.2 -58.9 -43.4 6.2 7.2 38.9 1032 161 F I H X S+ 0 0 24 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.935 111.0 52.0 -63.0 -47.6 6.4 11.0 38.3 1033 162 F A H X S+ 0 0 3 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.893 112.8 44.4 -55.3 -46.0 10.1 10.7 37.2 1034 163 F K H < S+ 0 0 140 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.858 111.6 53.0 -70.4 -34.9 9.2 8.0 34.6 1035 164 F S H < S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.782 103.9 57.0 -70.7 -26.8 6.1 9.9 33.4 1036 165 F R H < 0 0 120 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.654 360.0 360.0 -83.2 -17.3 8.2 13.1 32.8 1037 166 F K < 0 0 156 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.1 0.348 360.0 360.0 -71.8 360.0 10.6 11.3 30.4