==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 20-NOV-12 3ZCI . COMPND 2 MOLECULE: CAG PATHOGENICITY ISLAND PROTEIN (CAG18); . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR S.BARDEN,H.H.NIEMANN . 191 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 87.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 1 0 2 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 18 A G 0 0 84 0, 0.0 4,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -70.9 20.5 40.7 128.4 2 19 A A + 0 0 47 2,-0.2 4,-0.5 1,-0.1 0, 0.0 0.095 360.0 68.9-101.6 9.7 19.5 38.1 125.9 3 20 A X S > S+ 0 0 70 2,-0.2 4,-1.9 3,-0.1 -1,-0.1 0.557 89.4 58.7-116.4 -25.8 16.4 39.8 125.1 4 21 A E H > S+ 0 0 118 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.897 106.4 52.8 -59.7 -44.9 18.1 42.7 123.4 5 22 A D H > S+ 0 0 120 -4,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.893 112.2 43.7 -51.5 -44.2 19.5 40.0 121.1 6 23 A I H > S+ 0 0 18 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.868 112.8 51.1 -76.7 -37.0 16.0 38.7 120.4 7 24 A T H X S+ 0 0 35 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.916 113.1 46.4 -64.0 -43.2 14.5 42.1 119.9 8 25 A S H X S+ 0 0 54 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.906 108.3 55.5 -66.2 -44.2 17.2 43.0 117.5 9 26 A G H X S+ 0 0 20 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.935 109.0 49.3 -54.7 -44.8 16.8 39.6 115.7 10 27 A L H X S+ 0 0 17 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.916 108.9 50.5 -62.9 -43.1 13.2 40.6 115.2 11 28 A K H X S+ 0 0 147 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.918 111.6 48.9 -61.9 -41.1 14.0 44.0 113.9 12 29 A Q H X S+ 0 0 124 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.920 111.6 48.9 -61.5 -45.4 16.5 42.6 111.4 13 30 A L H X S+ 0 0 23 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.916 110.6 51.4 -63.1 -41.9 13.9 40.0 110.2 14 31 A D H X S+ 0 0 48 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.904 108.6 51.0 -61.9 -41.0 11.3 42.6 109.8 15 32 A S H X S+ 0 0 66 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.956 111.9 46.3 -62.5 -48.4 13.7 44.7 107.7 16 33 A T H X S+ 0 0 51 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.909 111.7 53.4 -58.9 -40.5 14.5 41.8 105.4 17 34 A Y H X S+ 0 0 28 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.934 109.3 47.3 -58.1 -49.1 10.7 41.0 105.2 18 35 A Q H X S+ 0 0 74 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.895 114.5 46.8 -63.1 -40.4 9.9 44.6 104.1 19 36 A E H X S+ 0 0 132 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.861 111.9 49.5 -70.7 -34.0 12.6 44.6 101.6 20 37 A T H X S+ 0 0 19 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.952 112.7 49.0 -68.4 -46.0 11.6 41.1 100.2 21 38 A N H X S+ 0 0 25 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.885 110.6 49.5 -60.0 -42.9 8.1 42.3 99.9 22 39 A Q H X S+ 0 0 121 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.937 111.0 49.7 -62.8 -47.3 9.1 45.5 98.1 23 40 A Q H X S+ 0 0 86 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.922 112.3 48.5 -57.2 -43.1 11.2 43.6 95.7 24 41 A V H X S+ 0 0 16 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.931 112.0 47.1 -64.5 -46.4 8.3 41.2 95.0 25 42 A L H X S+ 0 0 82 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.887 111.0 52.2 -67.0 -36.0 5.7 43.9 94.5 26 43 A K H X S+ 0 0 105 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.951 110.3 49.7 -58.3 -49.1 8.1 45.8 92.2 27 44 A N H X S+ 0 0 21 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.873 110.9 48.6 -58.1 -41.9 8.6 42.5 90.2 28 45 A L H X S+ 0 0 33 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.914 109.3 52.7 -64.7 -41.9 4.8 42.0 89.9 29 46 A D H < S+ 0 0 125 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.907 112.5 45.5 -62.8 -40.3 4.3 45.6 88.8 30 47 A E H >< S+ 0 0 108 -4,-2.4 3,-1.2 2,-0.2 -1,-0.2 0.925 112.2 51.0 -63.4 -47.3 6.9 45.1 86.1 31 48 A I H 3< S+ 0 0 67 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.922 120.3 33.9 -57.0 -46.5 5.4 41.7 85.0 32 49 A F T 3< 0 0 153 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.136 360.0 360.0-100.8 18.7 1.8 43.0 84.7 33 50 A S < 0 0 136 -3,-1.2 -3,-0.1 -5,-0.1 -4,-0.1 0.090 360.0 360.0 -31.0 360.0 2.9 46.6 83.5 34 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 35 59 A E > 0 0 191 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -36.2 6.8 30.0 79.2 36 60 A X H > + 0 0 143 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.900 360.0 50.8 -70.7 -44.3 9.8 29.8 81.6 37 61 A G H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.774 109.1 52.0 -58.7 -28.8 9.0 33.5 82.1 38 62 A E H > S+ 0 0 141 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.922 109.0 47.2 -76.0 -44.7 5.4 32.5 82.8 39 63 A E H X S+ 0 0 109 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.899 113.8 50.1 -61.5 -40.2 6.2 29.9 85.4 40 64 A D H X S+ 0 0 55 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.920 109.0 50.7 -63.9 -46.5 8.5 32.5 87.0 41 65 A A H X S+ 0 0 18 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.937 111.8 48.0 -57.2 -44.1 5.8 35.1 87.0 42 66 A L H X S+ 0 0 114 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.901 109.8 52.1 -64.6 -39.8 3.4 32.7 88.6 43 67 A N H X S+ 0 0 31 -4,-2.4 4,-2.3 1,-0.2 97,-0.3 0.909 110.7 49.5 -61.2 -38.8 6.1 31.7 91.2 44 68 A I H X S+ 0 0 10 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.894 109.1 49.5 -68.9 -39.8 6.5 35.3 92.0 45 69 A A H X S+ 0 0 22 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.906 110.7 52.4 -64.1 -37.9 2.8 35.9 92.4 46 70 A T H X S+ 0 0 64 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.914 108.8 49.3 -63.1 -44.2 2.7 32.9 94.7 47 71 A A H X S+ 0 0 1 -4,-2.3 4,-2.6 89,-0.2 -1,-0.2 0.906 107.9 54.3 -58.6 -42.7 5.5 34.4 96.8 48 72 A A H X S+ 0 0 10 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.926 109.4 48.9 -60.1 -41.8 3.6 37.7 97.0 49 73 A I H X S+ 0 0 118 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.925 110.7 48.2 -62.3 -47.5 0.6 35.8 98.3 50 74 A A H <>S+ 0 0 12 -4,-2.5 5,-2.5 1,-0.2 6,-0.5 0.903 110.5 53.7 -58.0 -39.6 2.8 33.9 100.9 51 75 A L H <5S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.885 113.5 41.3 -65.1 -40.7 4.3 37.3 102.0 52 76 A R H <5S+ 0 0 211 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.675 130.4 22.8 -72.5 -26.0 0.8 38.9 102.5 53 77 A G T >X5S+ 0 0 29 -4,-1.5 4,-2.1 -5,-0.2 3,-0.6 0.621 126.3 20.0-110.8 -99.8 -0.6 35.8 104.2 54 78 A D H 3>5S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -3,-0.2 0.858 127.4 47.0 -43.4 -49.3 1.3 33.0 106.0 55 79 A L H 3> S+ 0 0 32 -3,-0.6 4,-2.5 -6,-0.5 -1,-0.2 0.872 108.7 51.2 -62.9 -37.3 2.5 38.1 107.8 57 81 A L H X S+ 0 0 98 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.879 107.7 51.6 -68.3 -36.3 1.0 35.7 110.3 58 82 A L H X S+ 0 0 5 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.944 111.0 48.9 -60.1 -47.0 4.5 34.6 111.3 59 83 A K H X S+ 0 0 45 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.932 110.4 49.3 -58.9 -47.0 5.4 38.2 111.8 60 84 A A H X S+ 0 0 49 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.863 110.1 53.1 -62.7 -35.7 2.4 38.9 113.9 61 85 A N H X S+ 0 0 17 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.929 108.9 47.1 -64.8 -46.6 3.1 35.9 116.0 62 86 A F H X S+ 0 0 7 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.898 113.2 51.3 -61.1 -40.8 6.7 37.0 116.7 63 87 A E H X S+ 0 0 77 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.940 108.1 49.2 -63.1 -49.1 5.4 40.5 117.6 64 88 A A H X S+ 0 0 58 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.924 112.3 51.0 -56.6 -42.4 2.8 39.2 120.0 65 89 A N H X S+ 0 0 9 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.914 108.1 50.4 -61.3 -43.7 5.5 37.1 121.6 66 90 A E H X S+ 0 0 28 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.947 111.5 48.6 -62.8 -44.1 7.9 40.1 121.9 67 91 A L H X S+ 0 0 114 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.938 111.6 50.1 -57.2 -48.6 5.2 42.2 123.6 68 92 A F H X>S+ 0 0 4 -4,-2.6 4,-2.9 -5,-0.2 5,-0.6 0.934 103.8 57.6 -58.0 -44.7 4.4 39.4 126.0 69 93 A F H X5S+ 0 0 11 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.936 108.7 50.2 -55.5 -37.0 8.0 39.0 126.8 70 94 A I H X5S+ 0 0 97 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.976 116.8 35.7 -56.7 -65.6 7.8 42.7 127.9 71 95 A S H X5S+ 0 0 66 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.906 119.1 48.3 -64.9 -43.1 4.7 42.5 130.1 72 96 A E H X5S+ 0 0 8 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.852 105.1 61.2 -64.9 -34.0 5.4 39.0 131.6 73 97 A D H X<>S+ 0 0 38 -4,-1.8 5,-1.8 1,-0.2 3,-1.3 0.937 111.2 47.0 -60.3 -44.4 5.3 40.1 136.3 76 100 A F H 3<5S+ 0 0 31 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.651 108.7 55.6 -73.6 -16.1 8.4 38.0 136.9 77 101 A K T 3<5S+ 0 0 159 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.252 120.7 24.8 -96.0 9.9 10.4 41.0 138.2 78 102 A T T X 5S+ 0 0 73 -3,-1.3 3,-2.1 -4,-0.1 4,-0.3 0.136 129.4 4.4-137.7-110.4 7.7 41.8 140.8 79 103 A Y T 3 5S+ 0 0 34 1,-0.3 3,-0.2 2,-0.2 10,-0.2 0.682 133.3 47.5 -70.4 -14.5 5.1 39.7 142.6 80 104 A X T 3 - 0 0 35 -4,-0.3 4,-2.0 -3,-0.2 -1,-0.2 -0.976 67.9-111.7-162.4 157.7 10.2 35.7 145.2 83 107 A P H > S+ 0 0 25 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.946 116.5 55.3 -58.0 -48.4 8.0 33.9 147.7 84 108 A E H > S+ 0 0 148 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.910 112.8 41.6 -47.9 -50.2 8.0 36.8 150.1 85 109 A L H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.782 113.4 53.3 -72.7 -29.9 6.7 39.2 147.4 86 110 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.936 111.0 46.0 -67.5 -49.5 4.2 36.6 146.0 87 111 A L H X S+ 0 0 15 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.906 112.5 51.3 -57.9 -44.0 2.7 36.2 149.5 88 112 A T H X S+ 0 0 73 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.938 109.7 50.0 -60.7 -45.6 2.7 39.9 150.0 89 113 A Y H X S+ 0 0 63 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.886 110.4 49.3 -59.2 -42.0 0.9 40.3 146.6 90 114 A X H < S+ 0 0 21 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.890 109.0 54.0 -64.2 -38.4 -1.7 37.7 147.6 91 115 A K H < S+ 0 0 159 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.920 111.7 43.1 -61.7 -45.8 -2.2 39.5 150.9 92 116 A I H < 0 0 125 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.710 360.0 360.0 -72.7 -19.5 -3.0 42.8 149.2 93 117 A N < 0 0 80 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 -0.229 360.0 360.0-158.2 360.0 -5.1 40.9 146.6 94 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 95 131 A S 0 0 127 0, 0.0 5,-0.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 106.0 -6.2 27.1 159.7 96 132 A D - 0 0 53 1,-0.1 0, 0.0 3,-0.1 0, 0.0 0.189 360.0-115.3 61.9 174.6 -3.9 30.1 160.1 97 133 A K S S+ 0 0 185 2,-0.1 -1,-0.1 3,-0.1 4,-0.1 0.301 112.2 47.3-121.7 -2.0 -4.1 33.3 158.1 98 134 A V S > S+ 0 0 48 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.670 100.5 61.2-112.7 -31.0 -0.7 32.8 156.5 99 135 A L H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 -3,-0.1 0.900 105.8 51.7 -58.8 -41.0 -1.1 29.2 155.3 100 136 A V H > S+ 0 0 76 -5,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.855 104.1 57.3 -63.0 -36.1 -4.0 30.5 153.2 101 137 A L H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 107.2 47.0 -61.2 -43.8 -1.6 33.2 151.9 102 138 A Y H X S+ 0 0 16 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.866 107.9 57.4 -63.5 -38.9 0.7 30.4 150.6 103 139 A C H X S+ 0 0 67 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.960 109.3 45.0 -53.0 -52.6 -2.4 28.7 149.2 104 140 A E H X S+ 0 0 71 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.877 112.0 52.0 -59.8 -42.7 -3.1 31.8 147.2 105 141 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.942 110.4 46.9 -60.1 -50.6 0.6 32.2 146.1 106 142 A K H X S+ 0 0 71 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.898 111.7 52.5 -59.1 -40.5 0.8 28.6 144.8 107 143 A L H X S+ 0 0 94 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.905 108.9 49.8 -62.5 -38.0 -2.5 29.1 143.0 108 144 A K H X S+ 0 0 64 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.879 109.0 51.3 -70.1 -40.1 -1.1 32.2 141.4 109 145 A I H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.941 110.8 49.2 -57.9 -48.9 2.1 30.4 140.3 110 146 A E H X S+ 0 0 79 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.907 111.6 48.8 -56.8 -44.9 -0.1 27.7 138.7 111 147 A A H X S+ 0 0 57 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.869 111.5 49.5 -64.8 -37.5 -2.3 30.3 136.9 112 148 A T H X S+ 0 0 9 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.926 110.6 49.5 -66.8 -46.5 0.8 32.0 135.6 113 149 A A H X S+ 0 0 11 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.923 111.1 51.0 -58.6 -44.5 2.3 28.8 134.3 114 150 A Q H X S+ 0 0 86 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.900 109.6 48.8 -61.2 -42.1 -1.0 28.0 132.7 115 151 A N H X S+ 0 0 55 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.908 112.1 49.3 -66.7 -39.8 -1.1 31.4 130.9 116 152 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.946 110.2 50.8 -61.2 -48.5 2.4 30.9 129.7 117 153 A R H X S+ 0 0 118 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.913 109.1 51.6 -55.2 -44.3 1.7 27.4 128.4 118 154 A E H X S+ 0 0 100 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.905 111.5 47.2 -62.7 -39.2 -1.3 28.7 126.5 119 155 A R H X S+ 0 0 103 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.923 112.6 47.4 -65.6 -46.8 0.8 31.4 124.9 120 156 A L H X S+ 0 0 17 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.913 112.4 51.4 -57.2 -43.8 3.6 29.0 124.0 121 157 A E H X S+ 0 0 101 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.929 110.6 48.1 -61.7 -47.1 1.0 26.6 122.5 122 158 A T H X S+ 0 0 91 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.921 113.6 47.6 -58.4 -43.8 -0.6 29.3 120.5 123 159 A S H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.937 111.0 49.6 -63.9 -49.7 2.8 30.4 119.2 124 160 A L H X S+ 0 0 68 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.909 112.5 49.6 -55.0 -44.6 4.0 26.9 118.3 125 161 A K H X S+ 0 0 104 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.931 109.8 50.0 -61.3 -48.1 0.7 26.4 116.4 126 162 A A H X S+ 0 0 23 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.902 113.9 44.7 -59.8 -43.2 1.0 29.6 114.5 127 163 A Y H >X S+ 0 0 41 -4,-2.5 4,-2.6 2,-0.2 3,-0.6 0.978 113.1 50.8 -64.1 -53.2 4.6 28.8 113.5 128 164 A Q H 3< S+ 0 0 151 -4,-2.8 4,-0.4 1,-0.3 -2,-0.2 0.902 114.8 44.4 -49.4 -45.3 3.7 25.2 112.5 129 165 A S H 3< S+ 0 0 79 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.738 123.3 33.4 -73.9 -27.1 0.8 26.4 110.4 130 166 A N H X< S+ 0 0 14 -4,-1.5 3,-1.2 -3,-0.6 4,-0.2 0.643 91.4 82.1-109.7 -12.9 2.6 29.2 108.7 131 167 A I G >< S+ 0 0 39 -4,-2.6 3,-2.5 1,-0.3 4,-0.3 0.843 81.6 71.0 -65.3 -30.1 6.2 28.2 108.2 132 168 A G G > S+ 0 0 53 -4,-0.4 3,-1.8 1,-0.3 4,-0.4 0.815 83.1 71.4 -57.3 -30.5 5.4 26.3 105.0 133 169 A G G X S+ 0 0 10 -3,-1.2 3,-0.6 1,-0.3 -1,-0.3 0.692 82.2 72.1 -60.1 -17.7 4.7 29.5 103.2 134 170 A T G X> S+ 0 0 11 -3,-2.5 3,-1.7 -4,-0.2 4,-0.9 0.760 79.7 74.1 -69.7 -24.0 8.4 30.2 103.2 135 171 A A H X> S+ 0 0 59 -3,-1.8 4,-2.6 -4,-0.3 3,-0.6 0.873 86.2 65.3 -54.3 -35.3 9.0 27.5 100.5 136 172 A S H <> S+ 0 0 18 -3,-0.6 4,-1.8 -4,-0.4 -1,-0.3 0.724 93.9 57.9 -64.2 -21.5 7.5 29.8 98.0 137 173 A L H <4 S+ 0 0 3 -3,-1.7 4,-0.5 -4,-0.2 -1,-0.3 0.861 108.5 46.0 -75.6 -36.8 10.4 32.3 98.4 138 174 A I H X< S+ 0 0 61 -4,-0.9 3,-1.7 -3,-0.6 -2,-0.2 0.966 113.3 49.4 -64.5 -51.7 12.8 29.6 97.4 139 175 A T H 3< S+ 0 0 84 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.868 110.8 50.8 -57.7 -37.1 10.6 28.5 94.4 140 176 A A T 3< S+ 0 0 11 -4,-1.8 -1,-0.3 -97,-0.3 -2,-0.2 0.574 83.3 113.2 -77.1 -9.4 10.3 32.1 93.2 141 177 A S < - 0 0 20 -3,-1.7 3,-0.0 -4,-0.5 -3,-0.0 -0.444 50.4-163.3 -67.6 135.7 14.1 32.7 93.3 142 178 A Q S S+ 0 0 110 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.625 70.0 28.9 -96.6 -16.2 15.5 33.2 89.8 143 179 A T S > S- 0 0 80 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.909 82.7-110.7-136.5 163.5 19.2 32.6 90.6 144 180 A L H > S+ 0 0 153 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.873 118.8 57.2 -63.7 -31.0 21.2 30.6 93.2 145 181 A V H > S+ 0 0 91 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.949 108.3 44.7 -62.6 -48.4 22.2 33.9 94.8 146 182 A E H > S+ 0 0 55 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.907 112.3 52.6 -61.9 -41.7 18.6 34.9 95.3 147 183 A S H X S+ 0 0 28 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.904 108.9 50.8 -58.6 -40.9 17.8 31.4 96.6 148 184 A L H X S+ 0 0 85 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.940 109.9 49.2 -64.1 -46.0 20.7 31.7 99.1 149 185 A K H X S+ 0 0 143 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.931 112.9 46.6 -62.3 -45.3 19.5 35.1 100.3 150 186 A N H X S+ 0 0 17 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.898 111.1 52.6 -60.8 -40.2 15.9 33.7 100.8 151 187 A K H X S+ 0 0 86 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.903 108.2 50.6 -64.3 -40.9 17.2 30.6 102.5 152 188 A N H X S+ 0 0 82 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.905 108.7 52.7 -62.0 -39.4 19.2 32.8 105.0 153 189 A F H X S+ 0 0 15 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.940 111.2 46.6 -60.5 -42.8 16.0 34.8 105.6 154 190 A I H X S+ 0 0 34 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.877 109.6 52.1 -67.6 -42.7 14.3 31.5 106.4 155 191 A K H X S+ 0 0 114 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.880 109.2 52.8 -58.1 -40.5 17.1 30.2 108.7 156 192 A G H X S+ 0 0 24 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.916 106.8 51.4 -61.1 -43.3 16.8 33.5 110.5 157 193 A I H X S+ 0 0 9 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.944 111.4 47.4 -57.7 -47.4 13.1 33.0 111.0 158 194 A R H X S+ 0 0 133 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.915 111.1 51.6 -62.6 -42.0 13.7 29.6 112.4 159 195 A K H X S+ 0 0 129 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.935 108.9 49.8 -61.5 -43.5 16.5 30.9 114.8 160 196 A L H X S+ 0 0 11 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.933 111.0 50.6 -60.4 -42.7 14.3 33.6 116.1 161 197 A X H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.913 107.5 52.4 -63.7 -40.4 11.6 31.0 116.8 162 198 A L H X S+ 0 0 62 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.914 110.8 49.0 -57.9 -42.7 14.1 28.7 118.6 163 199 A A H X S+ 0 0 22 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.957 109.5 50.6 -65.4 -47.7 15.0 31.7 120.8 164 200 A H H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.923 109.4 51.0 -57.5 -43.6 11.3 32.6 121.6 165 201 A N H X S+ 0 0 37 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.900 108.5 52.6 -58.7 -42.9 10.7 28.9 122.6 166 202 A K H X S+ 0 0 144 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.918 108.3 51.6 -54.9 -43.2 13.7 29.1 124.9 167 203 A V H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.967 111.0 45.7 -61.9 -51.5 12.2 32.2 126.5 168 204 A F H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.934 114.4 47.6 -55.9 -48.3 8.8 30.7 127.1 169 205 A L H X S+ 0 0 100 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.879 106.9 58.0 -65.4 -35.7 10.3 27.5 128.5 170 206 A N H X S+ 0 0 67 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.933 103.3 53.4 -58.2 -44.9 12.6 29.5 130.7 171 207 A Y H X S+ 0 0 10 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.961 109.5 48.5 -52.0 -50.8 9.6 31.2 132.3 172 208 A L H X S+ 0 0 36 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.899 110.8 49.4 -58.9 -40.8 8.2 27.8 133.1 173 209 A E H X S+ 0 0 134 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.907 109.7 52.0 -62.5 -43.3 11.4 26.5 134.6 174 210 A E H X S+ 0 0 99 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.935 108.3 51.7 -60.5 -45.8 11.7 29.7 136.8 175 211 A L H X S+ 0 0 4 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.849 107.9 52.7 -58.7 -34.1 8.2 29.1 138.0 176 212 A D H X S+ 0 0 81 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.934 110.1 46.4 -65.5 -48.0 9.1 25.5 138.9 177 213 A A H X S+ 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X S+ 0 0 144 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.948 111.8 50.0 -59.8 -50.7 7.8 24.5 155.7 188 224 A Q H X S+ 0 0 101 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.855 111.3 50.2 -56.2 -37.1 10.3 26.8 157.4 189 225 A Y H >< S+ 0 0 56 -4,-1.9 3,-0.7 2,-0.2 4,-0.3 0.956 110.4 47.4 -67.4 -50.9 7.4 29.1 158.5 190 226 A L H >< S+ 0 0 63 -4,-2.7 3,-1.2 1,-0.3 -2,-0.2 0.873 110.5 54.1 -56.5 -38.4 5.3 26.3 159.9 191 227 A Q H 3< S+ 0 0 169 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.781 108.4 49.3 -66.6 -28.4 8.4 25.0 161.7 192 228 A E T << 0 0 148 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.332 360.0 360.0 -93.0 6.1 8.8 28.5 163.3 193 229 A R < 0 0 164 -3,-1.2 -3,-0.1 -4,-0.3 -4,-0.0 -0.308 360.0 360.0-131.9 360.0 5.2 28.7 164.4