==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 02-FEB-11 3QKY . COMPND 2 MOLECULE: OUTER MEMBRANE ASSEMBLY LIPOPROTEIN YFIO; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOTHERMUS MARINUS; . AUTHOR C.M.SANDOVAL,S.L.BAKER,K.JANSEN,S.I.METZNER,M.C.SOUSA . 251 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 78.5 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 . 5 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 0 0 0 1 0 1 3 1 1 1 1 0 1 0 0 0 0 0 0 0 1 0 0 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 30 A R 0 0 232 0, 0.0 2,-0.3 0, 0.0 10,-0.1 0.000 360.0 360.0 360.0 -71.0 33.4 17.6 94.8 2 31 A H - 0 0 62 1,-0.1 4,-0.0 9,-0.0 0, 0.0 -0.999 360.0-174.7-158.4 148.3 37.0 16.4 94.1 3 32 A S S S+ 0 0 88 -2,-0.3 -1,-0.1 1,-0.3 3,-0.0 0.480 78.6 18.4-121.8 -10.2 40.0 14.7 95.7 4 33 A S S > S- 0 0 32 1,-0.1 4,-2.2 0, 0.0 -1,-0.3 -0.973 80.0-101.7-154.6 164.8 42.6 15.1 92.9 5 34 A P H > S+ 0 0 20 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.851 120.9 54.6 -58.7 -32.8 43.4 17.1 89.8 6 35 A Q H > S+ 0 0 93 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.897 107.6 46.3 -68.9 -42.6 42.2 14.2 87.7 7 36 A E H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.924 115.9 46.5 -65.9 -44.4 38.8 13.9 89.3 8 37 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.934 115.5 46.8 -62.6 -45.7 38.3 17.6 89.0 9 38 A F H X S+ 0 0 14 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.942 114.1 45.2 -60.7 -51.5 39.5 17.6 85.4 10 39 A E H X S+ 0 0 100 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.848 113.2 51.2 -66.3 -33.7 37.4 14.6 84.3 11 40 A R H X S+ 0 0 87 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.914 110.3 50.0 -65.0 -43.8 34.3 16.1 86.1 12 41 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.2 -2,-0.2 0.933 111.6 47.8 -58.1 -46.7 34.9 19.4 84.3 13 42 A M H X S+ 0 0 25 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.894 107.1 57.0 -63.9 -40.6 35.2 17.5 81.0 14 43 A E H X S+ 0 0 103 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.959 113.6 39.6 -52.2 -53.3 32.0 15.6 81.8 15 44 A F H ><>S+ 0 0 19 -4,-2.3 5,-2.5 1,-0.2 3,-0.9 0.936 113.8 55.3 -61.9 -46.2 30.1 18.9 82.2 16 45 A Y H ><5S+ 0 0 29 -4,-3.2 3,-1.4 1,-0.2 -2,-0.2 0.893 104.4 53.3 -52.6 -45.6 31.9 20.4 79.2 17 46 A N H 3<5S+ 0 0 123 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.720 110.3 46.2 -69.7 -23.1 30.9 17.6 76.8 18 47 A Q T <<5S- 0 0 101 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.250 120.3-106.7-101.7 11.9 27.2 18.0 77.7 19 48 A G T < 5S+ 0 0 33 -3,-1.4 2,-1.3 -4,-0.3 -3,-0.2 0.671 74.8 139.0 75.9 19.8 27.3 21.8 77.3 20 49 A K >< + 0 0 109 -5,-2.5 4,-2.6 1,-0.2 3,-0.5 -0.494 20.2 163.5 -90.5 65.6 27.1 22.6 81.1 21 50 A Y H > + 0 0 51 -2,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.777 64.4 57.1 -63.5 -34.6 29.8 25.3 80.8 22 51 A D H > S+ 0 0 107 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.934 114.3 39.6 -60.3 -47.3 29.1 27.1 84.1 23 52 A R H > S+ 0 0 96 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.918 113.6 54.1 -68.5 -46.5 29.7 23.9 86.0 24 53 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.934 106.3 53.9 -49.5 -48.5 32.6 22.8 83.8 25 54 A I H X S+ 0 0 12 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.909 106.0 51.4 -58.0 -45.4 34.3 26.2 84.5 26 55 A E H X S+ 0 0 114 -4,-1.6 4,-1.8 1,-0.2 -1,-0.3 0.907 113.0 46.2 -57.7 -42.7 34.0 25.7 88.3 27 56 A Y H X S+ 0 0 10 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.880 108.2 53.8 -71.9 -39.2 35.6 22.2 88.0 28 57 A F H X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.2 3,-0.4 0.922 109.7 50.2 -56.1 -44.3 38.4 23.4 85.6 29 58 A K H >< S+ 0 0 104 -4,-2.2 3,-1.1 1,-0.2 4,-0.3 0.902 103.8 58.9 -63.1 -39.8 39.3 26.0 88.2 30 59 A A H >< S+ 0 0 13 -4,-1.8 3,-2.2 1,-0.3 4,-0.4 0.850 92.9 69.0 -54.4 -36.1 39.3 23.4 91.0 31 60 A V H >< S+ 0 0 0 -4,-1.4 3,-1.3 -3,-0.4 -1,-0.3 0.873 94.4 56.1 -51.5 -38.4 42.0 21.6 89.0 32 61 A F G X< S+ 0 0 33 -3,-1.1 3,-1.5 -4,-0.7 -1,-0.3 0.507 82.4 82.1 -80.7 -2.5 44.4 24.4 89.9 33 62 A T G < S+ 0 0 100 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.696 93.2 52.7 -71.0 -15.3 43.9 24.1 93.6 34 63 A Y G < S- 0 0 80 -3,-1.3 3,-0.3 1,-0.4 -1,-0.3 0.224 122.6-108.9 -98.2 12.6 46.5 21.3 93.3 35 64 A G < - 0 0 32 -3,-1.5 -1,-0.4 1,-0.2 -2,-0.0 -0.396 29.7 -84.7 86.9-169.6 48.9 23.6 91.5 36 65 A R S S+ 0 0 83 -2,-0.1 -1,-0.2 -3,-0.1 6,-0.1 0.080 103.3 83.2-127.9 20.6 49.9 23.5 87.8 37 66 A T + 0 0 142 -3,-0.3 -2,-0.1 4,-0.1 -1,-0.1 0.744 66.4 97.3 -98.3 -29.3 52.7 20.9 87.8 38 67 A H S > S- 0 0 34 -4,-0.3 3,-1.5 1,-0.1 4,-0.3 -0.062 91.9-102.0 -57.2 163.4 50.5 17.8 87.6 39 68 A E T 3 S+ 0 0 157 1,-0.3 4,-0.3 2,-0.1 3,-0.1 0.578 115.8 58.7 -72.4 -5.7 49.9 16.2 84.2 40 69 A W T 3> S+ 0 0 51 1,-0.1 4,-2.2 2,-0.1 -1,-0.3 0.466 77.9 90.2-100.3 -1.3 46.4 17.7 83.8 41 70 A A H <> S+ 0 0 2 -3,-1.5 4,-2.4 2,-0.2 5,-0.2 0.881 85.3 49.0 -68.8 -41.6 47.2 21.4 84.1 42 71 A A H > S+ 0 0 20 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.961 115.3 43.3 -62.9 -51.4 47.8 22.2 80.4 43 72 A D H > S+ 0 0 56 -4,-0.3 4,-2.6 1,-0.2 5,-0.3 0.880 113.4 53.1 -61.7 -40.4 44.5 20.5 79.3 44 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.932 111.0 45.7 -60.3 -47.1 42.6 22.0 82.2 45 74 A Q H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.887 113.6 49.5 -64.1 -41.2 43.8 25.5 81.3 46 75 A F H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.927 114.6 42.8 -65.8 -45.8 43.1 25.0 77.6 47 76 A Y H X S+ 0 0 56 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.767 108.1 60.5 -76.9 -21.8 39.5 23.7 78.1 48 77 A L H X S+ 0 0 3 -4,-1.9 4,-2.5 -5,-0.3 5,-0.2 0.955 105.7 48.0 -62.3 -50.2 38.8 26.4 80.7 49 78 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.948 114.0 47.2 -55.7 -48.6 39.5 29.0 78.1 50 79 A R H X S+ 0 0 65 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.878 108.3 54.8 -61.5 -38.8 37.2 27.1 75.7 51 80 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.937 108.6 47.8 -62.2 -46.3 34.5 26.7 78.3 52 81 A Y H <>S+ 0 0 15 -4,-2.5 5,-3.1 2,-0.2 -1,-0.2 0.919 112.9 50.6 -56.2 -44.5 34.4 30.5 78.9 53 82 A Y H ><5S+ 0 0 45 -4,-2.1 3,-1.8 -5,-0.2 -2,-0.2 0.949 110.9 46.1 -59.6 -48.6 34.2 30.9 75.2 54 83 A Q H 3<5S+ 0 0 89 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.787 111.4 53.8 -67.0 -26.2 31.3 28.5 74.8 55 84 A N T 3<5S- 0 0 40 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.398 117.7-116.6 -86.3 0.6 29.6 30.1 77.7 56 85 A K T < 5S+ 0 0 144 -3,-1.8 2,-0.9 -4,-0.2 -3,-0.2 0.767 74.8 134.1 67.2 26.8 30.0 33.5 75.9 57 86 A E >< + 0 0 68 -5,-3.1 4,-2.8 -6,-0.2 -1,-0.2 -0.644 26.4 166.7 -98.2 71.8 32.2 34.9 78.6 58 87 A Y H > + 0 0 28 -2,-0.9 4,-2.9 1,-0.2 -1,-0.2 0.813 66.4 50.5 -65.2 -38.6 34.7 36.2 75.9 59 88 A L H > S+ 0 0 106 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 114.6 45.4 -66.4 -42.6 36.8 38.5 78.1 60 89 A L H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.933 112.6 51.9 -64.4 -44.9 37.4 35.8 80.6 61 90 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 3,-0.3 0.956 108.2 51.9 -51.3 -52.3 38.1 33.3 77.8 62 91 A A H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.900 108.4 50.5 -55.4 -45.9 40.6 35.7 76.3 63 92 A S H X S+ 0 0 53 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.882 111.9 47.0 -59.7 -40.7 42.5 36.1 79.6 64 93 A E H X S+ 0 0 22 -4,-2.0 4,-2.5 -3,-0.3 -2,-0.2 0.865 110.1 52.3 -73.9 -35.8 42.7 32.3 80.1 65 94 A Y H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.934 109.8 50.8 -59.2 -45.8 43.9 31.8 76.5 66 95 A E H X S+ 0 0 81 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.913 109.1 50.5 -59.0 -42.5 46.6 34.3 77.2 67 96 A R H X S+ 0 0 88 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.913 107.6 53.3 -64.6 -41.7 47.5 32.5 80.4 68 97 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.941 111.3 46.3 -53.8 -48.7 47.8 29.2 78.4 69 98 A I H < S+ 0 0 37 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.876 113.0 49.8 -64.3 -38.9 50.1 30.8 76.0 70 99 A Q H < S+ 0 0 125 -4,-2.4 3,-0.3 -5,-0.2 -1,-0.2 0.884 119.1 36.7 -64.6 -39.2 52.2 32.4 78.8 71 100 A I H < S+ 0 0 71 -4,-2.4 2,-0.5 1,-0.2 -2,-0.2 0.876 122.1 35.9 -87.9 -40.4 52.6 29.1 80.7 72 101 A Y >< + 0 0 37 -4,-2.8 3,-1.7 -5,-0.2 -1,-0.2 -0.578 63.7 166.9-120.6 69.8 52.9 26.4 78.1 73 102 A Q T 3 S+ 0 0 150 -2,-0.5 -1,-0.1 -3,-0.3 -2,-0.1 0.651 76.6 42.3 -63.6 -23.1 55.0 27.9 75.2 74 103 A I T 3 S+ 0 0 164 4,-0.1 -1,-0.3 3,-0.0 -5,-0.1 0.264 79.2 124.6-108.6 13.1 55.8 24.7 73.4 75 104 A D X - 0 0 25 -3,-1.7 3,-2.5 1,-0.1 -3,-0.0 -0.551 68.6-128.6 -65.4 131.3 52.4 23.1 73.6 76 105 A P T 3 S+ 0 0 112 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.700 106.6 61.2 -57.3 -17.6 51.3 22.3 70.1 77 106 A R T 3> S+ 0 0 52 1,-0.2 4,-2.9 2,-0.1 5,-0.2 0.478 72.5 98.7 -87.2 -5.1 48.0 24.1 70.8 78 107 A V H <> S+ 0 0 7 -3,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.884 84.1 48.1 -53.8 -41.7 49.6 27.4 71.5 79 108 A P H > S+ 0 0 18 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.942 111.7 49.6 -64.6 -45.4 48.9 28.7 67.9 80 109 A Q H > S+ 0 0 60 -4,-0.3 4,-3.1 1,-0.2 5,-0.2 0.892 109.7 53.2 -53.0 -45.0 45.2 27.5 68.2 81 110 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.899 108.0 48.6 -60.7 -43.6 45.0 29.3 71.6 82 111 A E H X S+ 0 0 10 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.914 114.3 47.3 -64.3 -41.7 46.3 32.6 70.1 83 112 A Y H X S+ 0 0 22 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.931 112.1 47.9 -61.1 -49.0 43.7 32.3 67.2 84 113 A E H X S+ 0 0 32 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.841 108.3 56.4 -67.3 -31.5 40.8 31.4 69.5 85 114 A R H >X S+ 0 0 61 -4,-2.2 4,-1.1 -5,-0.2 3,-0.7 0.923 105.8 49.8 -62.6 -45.1 41.8 34.4 71.8 86 115 A A H 3X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 3,-0.3 0.896 104.8 60.5 -58.0 -37.4 41.5 36.7 68.7 87 116 A M H 3X S+ 0 0 25 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.810 95.4 62.2 -59.7 -30.5 38.1 35.0 68.1 88 117 A C H - 0 0 87 0, 0.0 3,-2.2 0, 0.0 41,-0.0 -0.198 58.9-105.2 -53.6 150.5 27.6 46.3 64.7 96 125 A Y T 3 S+ 0 0 46 1,-0.3 4,-0.1 -3,-0.1 -3,-0.0 0.682 114.4 65.7 -58.3 -25.7 29.3 49.1 62.9 97 126 A E T 3 S+ 0 0 145 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.693 96.5 71.3 -69.9 -16.4 27.2 51.9 64.3 98 127 A L S < S- 0 0 94 -3,-2.2 42,-0.0 1,-0.2 0, 0.0 -0.422 105.5 -63.8 -97.4 171.2 28.6 51.2 67.8 99 128 A D - 0 0 109 1,-0.1 3,-0.3 -2,-0.1 -1,-0.2 -0.276 43.2-154.6 -54.5 134.1 32.0 51.8 69.5 100 129 A Q > + 0 0 2 1,-0.2 4,-2.3 2,-0.1 3,-0.3 0.158 54.9 120.2-106.2 18.4 34.6 49.7 67.6 101 130 A T H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 80.7 45.3 -43.8 -55.0 37.2 49.2 70.4 102 131 A D H > S+ 0 0 41 -3,-0.3 4,-2.5 1,-0.2 -9,-0.3 0.806 107.8 58.6 -67.6 -28.1 36.8 45.4 70.4 103 132 A T H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.945 108.3 45.1 -60.6 -48.4 36.9 45.4 66.6 104 133 A R H X S+ 0 0 119 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.882 111.7 53.8 -63.8 -37.6 40.3 47.1 66.7 105 134 A K H X S+ 0 0 100 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.924 109.1 48.3 -60.0 -44.1 41.4 44.7 69.4 106 135 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -17,-0.2 5,-0.2 0.923 109.3 52.0 -62.7 -47.2 40.5 41.6 67.3 107 136 A I H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.938 110.7 47.4 -57.1 -50.6 42.3 42.9 64.2 108 137 A E H X S+ 0 0 132 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.900 112.1 51.0 -56.1 -43.8 45.5 43.5 66.2 109 138 A A H X S+ 0 0 11 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.921 112.7 44.6 -62.9 -45.9 45.2 40.0 67.8 110 139 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.874 112.1 53.1 -63.3 -40.3 44.7 38.3 64.4 111 140 A Q H X S+ 0 0 64 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.903 108.0 49.5 -65.8 -42.6 47.5 40.3 62.8 112 141 A L H X S+ 0 0 78 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.916 110.6 51.8 -58.8 -45.4 50.0 39.3 65.6 113 142 A F H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.937 110.1 48.1 -56.0 -48.4 48.9 35.6 65.0 114 143 A I H < S+ 0 0 38 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.884 112.4 49.2 -63.8 -37.8 49.5 35.9 61.3 115 144 A D H < S+ 0 0 133 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.905 113.6 46.1 -65.9 -38.5 53.0 37.5 61.9 116 145 A R H < S+ 0 0 133 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.858 129.1 21.6 -75.8 -39.0 54.0 34.9 64.3 117 146 A Y >< + 0 0 63 -4,-2.5 3,-2.0 -5,-0.2 -1,-0.3 -0.576 69.5 171.2-129.7 70.3 52.9 31.8 62.3 118 147 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.671 80.5 39.0 -61.7 -20.5 52.7 33.0 58.7 119 148 A 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