==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL INVASION 09-JUN-11 3ZQE . COMPND 2 MOLECULE: PROTEIN PRGI, CELL INVASION PROTEIN SIPD; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR M.LUNELLI,M.KOLBE . 520 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24679.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 431 82.9 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 . 35 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 19 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 321 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 1 1 0 0 0 1 0 3 1 1 0 1 1 0 0 0 0 0 3 1 0 1 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 . 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 2 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 6 A S > 0 0 90 0, 0.0 2,-1.3 0, 0.0 3,-1.2 0.000 360.0 360.0 360.0 92.1 41.8 15.3 -29.0 2 7 A G T 3 + 0 0 60 1,-0.3 4,-0.3 2,-0.1 3,-0.2 -0.461 360.0 22.4 68.9 -91.6 39.3 14.5 -31.7 3 8 A Y T >> S+ 0 0 30 -2,-1.3 4,-1.1 1,-0.2 3,-0.6 0.631 113.9 71.1 -83.1 -17.7 36.7 12.3 -30.0 4 9 A L H <> S+ 0 0 8 -3,-1.2 4,-2.4 1,-0.2 5,-0.2 0.862 85.2 68.1 -66.5 -35.6 37.6 13.6 -26.6 5 10 A D H 3> S+ 0 0 95 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.826 98.0 52.0 -52.6 -35.5 36.0 17.0 -27.5 6 11 A D H <> S+ 0 0 79 -3,-0.6 4,-2.1 -4,-0.3 -1,-0.2 0.926 107.7 51.2 -67.1 -45.9 32.6 15.2 -27.4 7 12 A V H X S+ 0 0 0 -4,-1.1 4,-1.4 1,-0.2 -2,-0.2 0.888 105.9 55.6 -58.5 -40.9 33.3 13.8 -24.0 8 13 A S H X S+ 0 0 36 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.873 106.4 50.9 -61.3 -37.4 34.2 17.3 -22.7 9 14 A A H X S+ 0 0 44 -4,-1.4 4,-3.4 -3,-0.2 5,-0.3 0.933 103.3 59.0 -64.3 -47.1 30.8 18.6 -23.9 10 15 A K H X S+ 0 0 95 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.823 106.8 47.8 -51.6 -37.2 29.0 15.8 -22.1 11 16 A F H X S+ 0 0 2 -4,-1.4 4,-3.9 2,-0.2 5,-0.2 0.946 112.1 49.2 -70.1 -47.6 30.6 17.0 -18.8 12 17 A D H X S+ 0 0 62 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.946 115.4 43.0 -55.2 -52.9 29.6 20.6 -19.5 13 18 A T H X S+ 0 0 71 -4,-3.4 4,-3.7 2,-0.2 -1,-0.2 0.924 115.4 50.4 -59.1 -46.4 26.0 19.6 -20.4 14 19 A G H X S+ 0 0 12 -4,-2.3 4,-3.0 -5,-0.3 5,-0.3 0.935 110.4 48.7 -58.0 -48.1 25.9 17.3 -17.4 15 20 A V H X S+ 0 0 6 -4,-3.9 4,-2.2 2,-0.2 -1,-0.2 0.917 114.5 46.9 -58.7 -42.3 27.2 20.0 -15.1 16 21 A D H X S+ 0 0 86 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.955 113.2 47.9 -64.3 -50.8 24.6 22.4 -16.5 17 22 A N H X S+ 0 0 92 -4,-3.7 4,-1.8 1,-0.2 -2,-0.2 0.897 114.2 46.2 -56.2 -45.4 21.8 19.8 -16.2 18 23 A L H X S+ 0 0 6 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.894 103.4 61.3 -65.3 -43.6 22.7 18.9 -12.6 19 24 A Q H X S+ 0 0 97 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.2 0.883 110.2 44.7 -49.5 -39.3 23.0 22.5 -11.6 20 25 A T H X S+ 0 0 74 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.887 110.8 51.0 -74.2 -42.4 19.4 22.7 -12.6 21 26 A Q H X S+ 0 0 73 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.813 105.1 58.0 -66.7 -30.6 18.3 19.5 -10.9 22 27 A V H X S+ 0 0 19 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.910 110.2 44.3 -64.6 -40.1 20.0 20.6 -7.6 23 28 A T H X S+ 0 0 78 -4,-1.1 4,-2.5 -5,-0.3 -2,-0.2 0.964 112.8 50.0 -67.6 -52.7 17.7 23.7 -7.7 24 29 A E H X S+ 0 0 108 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.894 113.6 47.2 -53.2 -41.0 14.6 21.7 -8.6 25 30 A A H X S+ 0 0 14 -4,-2.6 4,-1.9 1,-0.2 17,-0.3 0.873 108.8 53.2 -70.5 -37.6 15.4 19.3 -5.7 26 31 A L H X S+ 0 0 51 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.884 109.6 50.3 -65.3 -36.3 16.0 22.1 -3.3 27 32 A D H X S+ 0 0 103 -4,-2.5 4,-1.8 2,-0.2 3,-0.5 0.991 107.2 51.6 -64.0 -57.9 12.7 23.6 -4.1 28 33 A K H X S+ 0 0 147 -4,-2.2 4,-0.7 1,-0.3 -1,-0.2 0.861 112.3 48.6 -46.0 -40.9 10.8 20.3 -3.7 29 34 A L H >< S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.2 -1,-0.3 0.897 102.7 60.8 -67.2 -41.8 12.4 20.0 -0.2 30 35 A A H 3< S+ 0 0 36 -4,-2.1 -1,-0.2 -3,-0.5 -2,-0.2 0.908 102.0 53.7 -51.9 -44.6 11.5 23.6 0.7 31 36 A A H 3< S+ 0 0 93 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.737 126.1 22.5 -64.3 -24.9 7.8 22.6 0.3 32 37 A K S X< S+ 0 0 86 -3,-1.2 3,-2.5 -4,-0.7 -1,-0.3 -0.357 76.8 174.9-142.3 60.2 8.2 19.7 2.7 33 38 A P T 3 S+ 0 0 14 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.607 74.0 52.3 -37.9 -33.1 11.3 20.6 4.8 34 39 A S T 3 S+ 0 0 21 -4,-0.1 -4,-0.1 -5,-0.1 -5,-0.0 0.352 76.7 119.9 -97.4 10.9 11.2 17.7 7.2 35 40 A D <> - 0 0 11 -3,-2.5 4,-2.1 -6,-0.3 5,-0.2 -0.647 52.5-152.8 -81.1 121.8 10.9 14.9 4.7 36 41 A P H > S+ 0 0 34 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.871 94.5 46.2 -53.6 -47.4 13.9 12.3 4.9 37 42 A A H > S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.828 109.8 52.0 -71.2 -35.8 13.7 11.3 1.3 38 43 A L H > S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 -9,-0.2 0.901 109.4 51.1 -69.9 -37.9 13.4 14.8 -0.1 39 44 A L H X S+ 0 0 30 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.956 111.6 46.7 -62.6 -48.5 16.5 15.9 1.8 40 45 A A H X S+ 0 0 43 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.879 109.7 53.3 -63.2 -38.8 18.5 12.9 0.5 41 46 A A H X S+ 0 0 49 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.966 110.6 47.7 -60.6 -48.5 17.5 13.5 -3.1 42 47 A Y H X S+ 0 0 25 -4,-2.2 4,-2.0 -17,-0.3 -2,-0.2 0.939 115.2 45.7 -54.3 -50.4 18.6 17.1 -2.9 43 48 A Q H X S+ 0 0 14 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.824 108.4 54.5 -66.1 -34.7 21.9 16.1 -1.3 44 49 A S H X S+ 0 0 24 -4,-2.7 4,-3.3 2,-0.2 -1,-0.2 0.949 109.4 49.9 -63.9 -44.1 22.5 13.3 -3.8 45 50 A K H X S+ 0 0 54 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.889 111.2 48.4 -59.2 -41.7 22.1 15.9 -6.5 46 51 A L H X S+ 0 0 26 -4,-2.0 4,-3.3 2,-0.2 5,-0.2 0.943 112.1 48.3 -63.0 -49.5 24.5 18.2 -4.9 47 52 A S H X S+ 0 0 3 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.937 114.9 46.5 -56.3 -46.0 27.0 15.4 -4.4 48 53 A E H X S+ 0 0 27 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.882 110.9 52.1 -65.2 -38.5 26.5 14.5 -8.1 49 54 A Y H X S+ 0 0 37 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.946 110.3 47.8 -62.2 -47.6 26.8 18.1 -9.1 50 55 A N H X S+ 0 0 12 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.864 109.5 56.3 -60.7 -35.2 30.1 18.4 -7.2 51 56 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.918 107.5 45.0 -64.3 -46.9 31.2 15.2 -8.9 52 57 A Y H X S+ 0 0 17 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.861 113.0 51.0 -68.1 -33.1 30.7 16.4 -12.4 53 58 A R H X S+ 0 0 107 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.904 108.5 53.9 -68.1 -37.5 32.4 19.7 -11.6 54 59 A N H X S+ 0 0 25 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.967 111.9 42.9 -56.7 -55.8 35.2 17.6 -10.2 55 60 A A H >< S+ 0 0 1 -4,-2.5 3,-1.5 1,-0.2 4,-0.2 0.939 111.2 56.9 -56.0 -48.1 35.5 15.7 -13.5 56 61 A Q H >< S+ 0 0 59 -4,-3.0 3,-1.2 1,-0.3 -1,-0.2 0.891 107.2 47.4 -50.6 -46.3 35.2 18.9 -15.4 57 62 A S H 3< S+ 0 0 93 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.604 112.2 50.3 -74.4 -12.6 38.2 20.4 -13.6 58 63 A N T S+ 0 0 31 -3,-1.2 4,-2.9 -4,-0.2 5,-0.3 0.905 73.8 48.7 -48.4 -53.9 39.5 17.2 -17.9 60 65 A V H > S+ 0 0 121 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.960 114.7 42.1 -55.8 -58.5 43.1 17.8 -19.0 61 66 A K H > S+ 0 0 103 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 120.0 43.7 -55.7 -49.5 44.8 15.2 -16.8 62 67 A V H X S+ 0 0 5 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.931 111.5 50.5 -64.1 -51.0 42.2 12.6 -17.4 63 68 A F H X S+ 0 0 15 -4,-2.9 4,-2.8 -5,-0.3 5,-0.2 0.861 107.4 57.4 -58.0 -35.8 41.7 13.0 -21.2 64 69 A K H X S+ 0 0 123 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.980 111.4 39.3 -57.5 -59.6 45.5 12.8 -21.6 65 70 A D H X S+ 0 0 36 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.910 116.5 50.6 -59.3 -45.6 45.7 9.4 -19.9 66 71 A I H X S+ 0 0 1 -4,-2.8 4,-2.6 20,-0.3 -1,-0.2 0.931 109.5 51.1 -59.4 -45.5 42.6 8.0 -21.5 67 72 A D H X S+ 0 0 34 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.939 110.4 49.4 -57.0 -49.5 43.7 9.1 -25.0 68 73 A A H >< S+ 0 0 52 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.977 112.4 47.0 -51.6 -61.6 47.0 7.4 -24.5 69 74 A A H 3< S+ 0 0 16 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.821 111.1 53.9 -48.6 -38.2 45.3 4.2 -23.4 70 75 A I H 3< S+ 0 0 22 -4,-2.6 2,-3.9 1,-0.2 -1,-0.3 0.884 87.9 79.0 -66.1 -41.1 42.9 4.6 -26.4 71 76 A I << 0 0 110 -4,-2.5 -1,-0.2 -3,-0.7 -2,-0.1 -0.186 360.0 360.0 -67.0 52.4 45.8 4.8 -28.8 72 77 A Q 0 0 192 -2,-3.9 -1,-0.3 -3,-0.1 -2,-0.1 0.055 360.0 360.0-175.6 360.0 46.1 1.0 -28.6 73 ! 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 74 129 A I 0 0 118 0, 0.0 5,-0.1 0, 0.0 199,-0.1 0.000 360.0 360.0 360.0 105.2 37.8 -1.7 -29.6 75 130 A S > - 0 0 57 1,-0.1 4,-1.7 3,-0.1 5,-0.1 0.092 360.0-131.5 -44.6 152.0 35.3 -3.3 -27.2 76 131 A D H > S+ 0 0 105 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.899 112.9 50.9 -73.2 -42.0 32.8 -1.3 -25.1 77 132 A A H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.866 109.9 51.6 -61.1 -36.8 33.8 -3.3 -22.0 78 133 A E H > S+ 0 0 115 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 108.8 49.5 -68.0 -39.9 37.4 -2.5 -22.9 79 134 A I H X S+ 0 0 3 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.960 110.8 50.5 -61.7 -50.6 36.6 1.2 -23.2 80 135 A W H X S+ 0 0 42 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.888 109.9 51.3 -53.9 -43.3 34.9 1.1 -19.8 81 136 A D H X S+ 0 0 74 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.939 109.1 47.7 -63.1 -49.0 37.9 -0.6 -18.3 82 137 A M H < S+ 0 0 58 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.878 112.7 49.9 -61.7 -36.6 40.5 1.9 -19.6 83 138 A V H >< S+ 0 0 2 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.951 106.8 57.7 -64.1 -45.7 38.3 4.7 -18.3 84 139 A S H 3< S+ 0 0 37 -4,-2.5 3,-0.4 1,-0.3 -2,-0.2 0.793 112.4 37.8 -52.8 -38.7 38.1 3.0 -14.9 85 140 A Q T 3< S+ 0 0 122 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.294 112.1 59.6-100.1 11.2 41.8 2.9 -14.4 86 141 A N S < S+ 0 0 34 -3,-1.7 -20,-0.3 -4,-0.3 -1,-0.2 0.054 88.9 68.3-126.2 28.2 42.6 6.3 -15.8 87 142 A I >> + 0 0 2 -3,-0.4 4,-2.9 -4,-0.1 3,-0.9 -0.019 47.9 128.4-135.4 32.6 40.5 8.7 -13.7 88 143 A S H 3> + 0 0 76 1,-0.3 4,-3.0 2,-0.2 5,-0.4 0.758 68.2 69.8 -61.2 -25.4 42.2 8.6 -10.2 89 144 A A H 3> S+ 0 0 29 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.945 112.7 29.9 -55.4 -46.2 42.3 12.4 -10.3 90 145 A I H <4 S+ 0 0 0 -3,-0.9 4,-0.4 2,-0.2 3,-0.2 0.934 121.6 51.7 -77.2 -51.6 38.5 12.2 -9.9 91 146 A G H >X>S+ 0 0 7 -4,-2.9 5,-2.7 1,-0.2 3,-1.0 0.898 111.0 46.2 -54.5 -49.3 38.3 9.0 -7.9 92 147 A D H 3<5S+ 0 0 115 -4,-3.0 -1,-0.2 1,-0.2 5,-0.2 0.791 114.0 48.7 -66.6 -30.8 40.8 9.9 -5.3 93 148 A S T 3<5S+ 0 0 42 -4,-0.7 -1,-0.2 -5,-0.4 -2,-0.2 0.367 127.3 23.2 -91.5 5.0 39.3 13.4 -4.7 94 149 A Y T <>5S+ 0 0 2 -3,-1.0 4,-2.2 -4,-0.4 5,-0.2 0.448 135.4 23.0-128.8 -78.3 35.7 11.9 -4.4 95 150 A L H X5S+ 0 0 27 -4,-0.5 4,-3.1 -5,-0.2 5,-0.2 0.920 122.8 57.8 -61.6 -40.4 35.5 8.3 -3.4 96 151 A G H > S+ 0 0 7 -6,-0.3 4,-2.9 -5,-0.2 -1,-0.2 0.959 112.2 47.3 -60.3 -52.2 37.7 11.4 0.4 98 153 A Y H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.901 108.7 54.9 -56.8 -43.3 34.6 9.4 1.5 99 154 A E H X S+ 0 0 102 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.931 113.3 43.1 -54.9 -45.6 36.8 6.3 2.2 100 155 A N H X S+ 0 0 37 -4,-2.0 4,-2.6 -5,-0.2 5,-0.3 0.860 109.6 56.5 -68.4 -39.5 38.9 8.5 4.5 101 156 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.947 113.4 39.9 -58.0 -49.0 35.8 10.2 6.0 102 157 A V H X S+ 0 0 24 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.862 113.8 53.1 -71.4 -35.6 34.4 6.9 7.1 103 158 A A H X S+ 0 0 42 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.956 114.5 42.4 -63.6 -48.5 37.7 5.4 8.2 104 159 A V H X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.906 114.1 49.6 -65.4 -43.5 38.5 8.3 10.4 105 160 A Y H X S+ 0 0 2 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.843 109.8 53.0 -66.3 -31.4 35.0 8.6 11.9 106 161 A T H X S+ 0 0 59 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.940 109.8 46.7 -68.9 -46.2 34.9 4.9 12.7 107 162 A D H X S+ 0 0 105 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.916 112.4 52.1 -61.9 -39.3 38.2 5.1 14.6 108 163 A F H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.935 111.4 45.8 -61.6 -45.5 36.8 8.2 16.4 109 164 A Y H X S+ 0 0 26 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.881 110.0 54.1 -66.2 -36.6 33.7 6.3 17.3 110 165 A Q H X S+ 0 0 96 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.895 102.1 57.9 -64.4 -38.4 35.6 3.2 18.4 111 166 A A H X S+ 0 0 20 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.880 108.8 47.2 -58.0 -37.7 37.8 5.4 20.8 112 167 A F H >X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 3,-1.0 0.937 106.6 56.1 -68.8 -47.5 34.5 6.4 22.4 113 168 A S H 3X S+ 0 0 24 -4,-2.3 4,-1.7 1,-0.3 -2,-0.2 0.904 101.8 58.0 -51.0 -44.5 33.3 2.8 22.6 114 169 A D H 3< S+ 0 0 93 -4,-2.5 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227 B T > - 0 0 74 -2,-0.3 4,-2.8 24,-0.2 5,-0.2 -0.368 42.4-110.5 -73.1 158.6 -6.6 10.6 12.3 412 228 B E H > S+ 0 0 82 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 120.6 52.7 -55.2 -39.9 -4.7 12.0 9.3 413 229 B A H > S+ 0 0 72 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.869 110.2 45.2 -64.1 -41.4 -3.4 14.7 11.6 414 230 B E H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.923 113.8 50.6 -69.2 -44.1 -2.1 12.4 14.3 415 231 B A H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.935 111.4 46.9 -58.6 -49.3 -0.5 10.1 11.7 416 232 B R H X S+ 0 0 107 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.854 109.2 55.8 -62.6 -35.0 1.3 13.0 10.0 417 233 B Q H X S+ 0 0 49 -4,-1.7 4,-3.3 2,-0.2 -1,-0.2 0.961 112.7 40.3 -62.5 -50.5 2.5 14.3 13.3 418 234 B W H X S+ 0 0 19 -4,-2.4 4,-3.6 2,-0.2 5,-0.3 0.908 110.7 60.1 -64.5 -38.2 4.1 11.0 14.1 419 235 B L H X>S+ 0 0 15 -4,-3.0 5,-1.9 -5,-0.2 4,-0.7 0.955 114.6 34.4 -52.7 -52.6 5.3 10.8 10.6 420 236 B S H ><5S+ 0 0 18 -4,-2.8 3,-0.6 2,-0.2 -1,-0.2 0.889 114.6 58.9 -70.5 -38.3 7.3 14.0 11.0 421 237 B E H 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4,-0.5 2,-0.2 -1,-0.2 0.791 109.7 53.1 -67.9 -28.2 17.0 -1.9 -10.9 452 268 B I H >X S+ 0 0 4 -4,-1.9 3,-1.4 2,-0.2 4,-0.5 0.942 111.1 45.7 -70.8 -46.4 17.1 -5.7 -11.2 453 269 B D H >< S+ 0 0 77 -4,-2.6 3,-2.2 1,-0.3 -2,-0.2 0.938 107.1 61.1 -58.4 -42.8 14.4 -5.5 -13.9 454 270 B G H 3< S+ 0 0 65 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.684 88.5 71.5 -56.7 -21.0 16.4 -2.6 -15.4 455 271 B L H << S- 0 0 17 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.802 110.9-112.0 -66.7 -28.0 19.3 -5.1 -15.9 456 272 B G << - 0 0 37 -3,-2.2 -1,-0.2 -4,-0.5 -2,-0.0 -0.493 46.1 -38.5 118.6 169.9 17.3 -6.7 -18.7 457 273 B A - 0 0 90 -2,-0.2 2,-0.1 -3,-0.1 6,-0.0 -0.403 62.5-124.3 -67.7 141.4 15.5 -10.0 -19.3 458 274 B P - 0 0 49 0, 0.0 6,-0.2 0, 0.0 4,-0.1 -0.455 29.7 -95.0 -84.4 160.4 17.4 -13.1 -17.9 459 275 B G > - 0 0 43 4,-2.2 3,-2.1 -2,-0.1 5,-0.0 0.185 54.9 -74.8 -60.6-172.9 18.3 -16.1 -20.0 460 276 B K T 3 S+ 0 0 224 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.768 133.0 57.6 -57.6 -27.2 16.3 -19.3 -20.4 461 277 B D T 3 S- 0 0 74 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.226 114.5-114.2 -90.5 13.6 17.4 -20.3 -16.9 462 278 B S S < S+ 0 0 56 -3,-2.1 -86,-1.3 1,-0.2 2,-0.3 0.691 84.6 112.8 61.7 17.8 16.0 -17.2 -15.3 463 279 B K - 0 0 62 -89,-0.2 -4,-2.2 -88,-0.2 2,-0.5 -0.786 60.0-136.3-114.3 161.2 19.5 -16.2 -14.4 464 280 B L E -F 373 0C 17 -91,-3.4 -91,-3.3 -2,-0.3 2,-0.4 -0.956 6.8-157.5-130.8 122.6 21.4 -13.2 -15.9 465 281 B E E +F 372 0C 93 -2,-0.5 2,-0.3 -93,-0.3 -93,-0.3 -0.772 21.5 168.3 -93.2 133.5 25.0 -13.0 -17.1 466 282 B M E -F 371 0C 6 -95,-2.8 -95,-2.4 -2,-0.4 -101,-0.2 -0.993 32.9-116.4-143.7 144.8 26.5 -9.5 -17.2 467 283 B D E > -F 370 0C 54 -2,-0.3 4,-1.4 -97,-0.2 -97,-0.2 -0.051 41.2 -96.3 -68.9-174.3 30.1 -8.4 -17.7 468 284 B N H > S+ 0 0 58 -99,-1.4 4,-2.3 1,-0.2 5,-0.2 0.828 118.6 63.3 -77.8 -31.4 31.9 -6.6 -15.0 469 285 B A H > S+ 0 0 13 -100,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.843 112.7 39.0 -61.0 -30.7 31.3 -3.0 -16.2 470 286 B K H > S+ 0 0 60 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.797 113.8 51.3 -89.0 -33.2 27.5 -3.7 -15.6 471 287 B Y H X S+ 0 0 45 -4,-1.4 4,-3.3 2,-0.2 5,-0.2 0.895 107.3 56.1 -69.2 -40.8 27.7 -5.8 -12.4 472 288 B Q H X S+ 0 0 74 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.896 110.4 42.7 -58.3 -45.5 29.8 -3.1 -10.8 473 289 B A H X S+ 0 0 8 -4,-0.8 4,-1.7 -5,-0.2 -1,-0.2 0.911 117.0 48.0 -70.7 -40.3 27.3 -0.3 -11.5 474 290 B W H X S+ 0 0 16 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.910 110.1 51.8 -65.4 -43.1 24.4 -2.6 -10.4 475 291 B Q H X S+ 0 0 74 -4,-3.3 4,-2.7 2,-0.2 -1,-0.2 0.877 109.1 48.9 -63.6 -38.6 26.1 -3.7 -7.3 476 292 B S H X S+ 0 0 5 -4,-1.6 4,-2.0 -5,-0.2 -220,-0.3 0.893 111.8 49.6 -71.0 -35.0 26.8 -0.2 -6.0 477 293 B G H X S+ 0 0 11 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.891 111.9 49.4 -67.7 -36.4 23.2 0.8 -6.7 478 294 B F H X S+ 0 0 12 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.938 110.4 49.7 -65.9 -47.1 22.1 -2.2 -4.8 479 295 B K H X S+ 0 0 79 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.863 104.4 59.8 -60.1 -37.5 24.4 -1.4 -1.9 480 296 B A H X S+ 0 0 4 -4,-2.0 4,-1.6 -228,-0.2 -1,-0.2 0.940 107.4 44.2 -58.3 -47.3 23.1 2.2 -1.8 481 297 B Q H X S+ 0 0 22 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.832 110.2 56.7 -67.1 -32.7 19.5 1.0 -1.1 482 298 B E H >X S+ 0 0 27 -4,-1.7 4,-1.8 1,-0.2 3,-0.5 0.976 109.4 45.3 -60.3 -53.6 20.8 -1.5 1.4 483 299 B E H 3X S+ 0 0 14 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.787 105.5 63.7 -61.5 -27.7 22.5 1.4 3.3 484 300 B N H 3X S+ 0 0 41 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.923 105.3 43.2 -63.0 -43.5 19.3 3.4 3.0 485 301 B M H < S+ 0 0 84 -4,-1.9 3,-0.8 2,-0.2 -1,-0.2 0.937 111.0 47.6 -71.6 -46.8 7.8 22.5 52.3 521 337 B A H >< S+ 0 0 65 -4,-1.6 3,-1.0 -5,-0.2 -2,-0.2 0.887 108.9 55.3 -60.4 -41.6 4.3 21.7 53.5 522 338 B K H 3< S+ 0 0 149 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.661 94.8 65.6 -66.6 -22.4 5.6 19.4 56.3 523 339 B S T << 0 0 75 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.1 0.152 360.0 360.0 -88.5 21.5 7.8 22.1 57.9 524 340 B F < 0 0 209 -3,-1.0 -1,-0.2 0, 0.0 -2,-0.1 0.185 360.0 360.0-123.5 360.0 4.7 24.0 58.7