==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 24-JAN-10 3LID . COMPND 2 MOLECULE: PUTATIVE SENSORY BOX/GGDEF FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS; . AUTHOR Z.ZHANG,W.A.HENDRICKSON . 555 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 417 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 26.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 46 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 4 1 3 0 6 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 10 0 5 3 0 2 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 2 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 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 33 A L >> 0 0 106 0, 0.0 3,-3.5 0, 0.0 4,-1.5 0.000 360.0 360.0 360.0 -83.8 -12.3 54.3 -30.6 2 34 A A H 3> + 0 0 69 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.627 360.0 39.0 -12.3 -64.3 -11.3 50.9 -32.0 3 35 A N H 3> S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.860 116.3 50.9 -63.9 -35.5 -7.8 52.2 -32.4 4 36 A N H <> S+ 0 0 83 -3,-3.5 4,-2.4 2,-0.2 5,-0.2 0.905 108.5 51.8 -70.7 -35.1 -7.8 54.1 -29.1 5 37 A V H X S+ 0 0 7 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.955 113.7 45.6 -58.4 -46.2 -9.1 51.0 -27.3 6 38 A E H X S+ 0 0 81 -4,-2.3 4,-2.0 -5,-0.4 -1,-0.2 0.857 111.6 49.4 -68.5 -37.6 -6.2 49.1 -28.8 7 39 A N H X S+ 0 0 71 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.892 112.0 49.6 -72.2 -34.4 -3.6 51.7 -28.1 8 40 A T H X S+ 0 0 10 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.905 108.7 53.3 -68.6 -36.6 -4.8 52.0 -24.5 9 41 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.896 107.0 51.4 -67.2 -37.6 -4.6 48.2 -24.2 10 42 A K H X S+ 0 0 118 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.919 111.1 48.0 -63.6 -42.1 -1.0 48.2 -25.4 11 43 A E H X S+ 0 0 58 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.926 111.5 50.5 -64.3 -42.2 -0.1 50.8 -22.8 12 44 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.3 -1,-0.2 0.866 105.8 55.8 -65.7 -34.9 -1.8 48.9 -20.0 13 45 A L H X S+ 0 0 46 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.3 0.886 107.8 48.5 -62.8 -40.5 -0.0 45.8 -21.0 14 46 A H H X S+ 0 0 102 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.909 111.5 50.4 -61.1 -41.7 3.3 47.6 -20.6 15 47 A Q H X S+ 0 0 5 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.912 108.6 51.8 -63.6 -46.7 2.1 48.8 -17.2 16 48 A L H X S+ 0 0 2 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.890 110.5 48.6 -59.4 -38.8 1.1 45.3 -16.1 17 49 A A H X S+ 0 0 45 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.906 112.3 49.5 -64.8 -42.5 4.6 44.0 -17.1 18 50 A Y H X S+ 0 0 41 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.926 114.1 43.2 -56.2 -51.8 6.2 46.9 -15.1 19 51 A T H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.864 109.7 57.1 -73.3 -32.3 4.1 46.3 -12.0 20 52 A G H X S+ 0 0 5 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.921 106.0 51.0 -62.5 -39.9 4.6 42.5 -12.2 21 53 A R H X S+ 0 0 58 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.874 107.2 54.0 -62.7 -36.3 8.3 43.0 -12.2 22 54 A E H X S+ 0 0 54 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.942 109.0 47.9 -64.4 -43.3 7.9 45.2 -9.0 23 55 A Y H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.887 109.5 53.6 -63.0 -40.9 6.0 42.4 -7.2 24 56 A N H X S+ 0 0 56 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.908 110.0 47.8 -60.0 -38.5 8.7 40.0 -8.3 25 57 A N H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.911 109.3 52.2 -66.1 -42.4 11.3 42.2 -6.7 26 58 A I H X S+ 0 0 15 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.939 107.6 53.1 -58.6 -43.7 9.3 42.6 -3.6 27 59 A Q H X S+ 0 0 38 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.941 108.7 49.2 -57.0 -44.2 9.1 38.8 -3.4 28 60 A D H X S+ 0 0 11 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.917 111.4 49.9 -61.1 -41.0 13.0 38.6 -3.6 29 61 A Q H X S+ 0 0 35 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.921 112.1 47.8 -66.0 -43.4 13.3 41.2 -0.9 30 62 A I H X S+ 0 0 1 -4,-2.8 4,-2.9 -5,-0.2 5,-0.3 0.936 111.1 51.1 -64.8 -44.4 10.8 39.3 1.4 31 63 A E H X S+ 0 0 88 -4,-3.0 4,-1.8 -5,-0.2 -2,-0.2 0.924 113.3 45.3 -57.8 -43.2 12.7 35.9 0.7 32 64 A T H X S+ 0 0 10 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.917 115.4 43.9 -67.1 -47.2 16.0 37.5 1.6 33 65 A I H X S+ 0 0 1 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.871 111.4 54.6 -69.8 -37.9 14.9 39.3 4.8 34 66 A S H X S+ 0 0 2 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.929 109.8 47.9 -63.5 -42.6 12.9 36.2 6.0 35 67 A D H X S+ 0 0 76 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 0.916 112.4 49.0 -60.6 -43.0 16.0 34.1 5.7 36 68 A L H < S+ 0 0 18 -4,-2.2 3,-0.4 1,-0.2 514,-0.4 0.931 112.4 47.9 -66.1 -40.9 18.1 36.7 7.6 37 69 A L H >< S+ 0 0 0 -4,-3.1 3,-1.1 1,-0.2 -1,-0.2 0.893 110.3 51.6 -69.2 -30.8 15.5 37.0 10.4 38 70 A G H 3< S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.749 117.0 39.8 -75.8 -21.6 15.3 33.2 10.7 39 71 A H T 3< S+ 0 0 108 -4,-1.3 -1,-0.3 -3,-0.4 2,-0.2 0.005 88.7 135.6-111.5 28.6 19.1 32.9 11.0 40 72 A S <> - 0 0 3 -3,-1.1 4,-2.4 1,-0.1 5,-0.1 -0.469 57.3-136.7 -92.7 146.5 19.7 35.9 13.2 41 73 A Q H > S+ 0 0 99 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.887 104.5 55.5 -60.6 -40.9 22.0 36.0 16.2 42 74 A S H > S+ 0 0 12 2,-0.2 4,-1.7 1,-0.2 16,-0.2 0.880 110.5 44.7 -64.9 -38.1 19.5 38.1 18.2 43 75 A L H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.950 113.4 50.9 -71.5 -41.6 16.8 35.5 17.7 44 76 A Y H X S+ 0 0 100 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.943 110.1 50.5 -57.7 -47.3 19.3 32.7 18.5 45 77 A D H X S+ 0 0 60 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.898 111.4 47.5 -58.7 -44.9 20.4 34.4 21.7 46 78 A Y H < S+ 0 0 17 -4,-1.7 -1,-0.2 8,-0.2 -2,-0.2 0.893 110.9 49.9 -61.8 -47.8 16.8 34.9 22.8 47 79 A L H < S+ 0 0 20 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.853 114.5 46.1 -65.6 -34.4 15.8 31.2 22.1 48 80 A R H < S+ 0 0 125 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.902 134.9 12.7 -68.7 -41.8 18.9 30.0 24.0 49 81 A E S < S- 0 0 122 -4,-2.5 2,-2.4 -5,-0.2 -1,-0.3 -0.746 71.1-166.2-139.2 86.9 18.3 32.3 26.9 50 82 A P + 0 0 88 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 -0.236 33.0 151.6 -80.6 57.3 14.9 33.9 26.9 51 83 A S > - 0 0 37 -2,-2.4 4,-2.5 1,-0.1 5,-0.3 -0.355 62.4-108.9 -73.5 159.6 15.7 36.6 29.5 52 84 A K H > S+ 0 0 141 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 121.3 56.0 -54.6 -40.5 14.0 40.0 29.5 53 85 A A H > S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.886 109.5 42.5 -60.5 -46.3 17.3 41.4 28.4 54 86 A N H > S+ 0 0 33 -5,-0.2 4,-2.2 2,-0.2 -8,-0.2 0.824 111.6 55.3 -70.2 -30.9 17.5 39.2 25.3 55 87 A L H X S+ 0 0 33 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.909 107.7 51.1 -67.2 -42.0 13.8 39.7 24.5 56 88 A T H X S+ 0 0 41 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.931 108.8 49.3 -61.7 -43.6 14.5 43.4 24.5 57 89 A I H X S+ 0 0 92 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.935 114.1 46.2 -60.2 -44.9 17.4 43.2 22.2 58 90 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 -16,-0.2 5,-0.2 0.939 112.9 49.7 -62.7 -47.2 15.3 40.9 19.8 59 91 A E H X S+ 0 0 21 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.911 110.9 49.5 -60.9 -43.1 12.3 43.3 20.0 60 92 A N H X S+ 0 0 90 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.891 112.1 49.0 -63.6 -39.8 14.5 46.4 19.2 61 93 A M H X S+ 0 0 16 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.949 112.8 45.7 -64.6 -50.0 16.0 44.6 16.3 62 94 A W H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.865 111.0 53.3 -63.0 -36.8 12.7 43.5 14.8 63 95 A S H X S+ 0 0 5 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.897 110.5 48.3 -62.1 -44.3 11.2 47.0 15.4 64 96 A S H X S+ 0 0 29 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.873 111.5 49.1 -60.0 -42.8 14.2 48.4 13.4 65 97 A V H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.907 110.8 50.6 -64.7 -42.9 13.7 45.9 10.6 66 98 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 6,-0.3 0.887 111.6 47.2 -62.5 -44.1 10.0 46.7 10.4 67 99 A R H < S+ 0 0 107 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.851 116.5 45.7 -62.3 -36.5 10.7 50.5 10.2 68 100 A N H < S+ 0 0 71 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.918 122.4 33.5 -73.5 -39.7 13.3 49.8 7.5 69 101 A Q H < S- 0 0 14 -4,-3.1 2,-1.2 -5,-0.1 -2,-0.2 0.742 79.3-169.6 -90.9 -31.9 11.3 47.4 5.4 70 102 A K < + 0 0 80 -4,-2.3 22,-0.1 -5,-0.3 -1,-0.1 -0.000 65.0 88.1 70.5 -24.9 7.7 48.9 5.9 71 103 A L + 0 0 2 -2,-1.2 95,-3.1 98,-0.1 2,-0.6 0.492 66.3 86.8 -88.7 -2.8 5.9 46.0 4.3 72 104 A Y E -A 165 0A 1 -6,-0.3 93,-0.2 93,-0.2 3,-0.1 -0.881 49.4-175.3 -97.2 119.1 5.6 43.8 7.5 73 105 A K E S+ 0 0 45 91,-2.7 17,-2.3 -2,-0.6 2,-0.3 0.779 78.0 7.8 -79.7 -28.0 2.5 44.6 9.6 74 106 A Q E -AB 164 89A 7 90,-0.8 90,-2.5 15,-0.2 2,-0.4 -0.992 56.1-164.1-148.8 153.8 3.7 42.2 12.3 75 107 A I E +AB 163 88A 0 13,-2.2 13,-3.1 -2,-0.3 2,-0.3 -0.985 29.7 169.8-137.0 120.9 6.8 40.1 13.0 76 108 A R E -AB 162 87A 2 86,-2.7 86,-2.5 -2,-0.4 2,-0.5 -0.936 34.4-147.8-135.2 156.8 6.3 37.4 15.6 77 109 A F E -AB 161 86A 5 9,-2.4 8,-3.3 -2,-0.3 9,-1.9 -0.997 21.0-168.7-121.2 125.6 7.8 34.3 17.2 78 110 A L E -AB 160 84A 0 82,-2.6 82,-2.8 -2,-0.5 6,-0.2 -0.918 19.2-127.4-106.8 142.1 5.2 31.6 18.3 79 111 A D E > -A 159 0A 37 4,-2.7 3,-2.2 -2,-0.4 80,-0.3 -0.203 39.6 -86.1 -79.9-175.8 6.3 28.8 20.5 80 112 A T T 3 S+ 0 0 72 78,-0.7 79,-0.1 1,-0.3 -1,-0.1 0.767 129.1 57.0 -67.1 -19.5 5.7 25.1 19.6 81 113 A S T 3 S- 0 0 67 2,-0.1 -1,-0.3 1,-0.0 26,-0.2 0.551 120.2-108.1 -83.5 -2.5 2.2 25.3 21.1 82 114 A G S < S+ 0 0 0 -3,-2.2 24,-3.1 1,-0.3 2,-0.4 0.563 72.8 140.1 86.0 13.5 1.2 28.2 18.8 83 115 A T B -G 105 0B 44 22,-0.3 -4,-2.7 23,-0.1 -1,-0.3 -0.741 58.3-114.8 -90.5 129.6 1.3 30.8 21.6 84 116 A E E +B 78 0A 2 20,-2.8 -6,-0.3 -2,-0.4 3,-0.1 -0.473 40.1 167.5 -62.5 131.8 2.8 34.2 20.6 85 117 A K E S+ 0 0 88 -8,-3.3 2,-0.4 1,-0.4 -7,-0.2 0.643 70.4 27.4-115.8 -32.4 6.0 34.9 22.6 86 118 A V E +B 77 0A 1 -9,-1.9 -9,-2.4 2,-0.0 -1,-0.4 -1.000 68.1 174.2-135.6 127.0 7.4 37.9 20.6 87 119 A R E -B 76 0A 7 -2,-0.4 13,-2.4 13,-0.3 2,-0.5 -0.883 7.8-178.9-142.7 110.0 5.2 40.2 18.8 88 120 A I E -BC 75 99A 1 -13,-3.1 -13,-2.2 -2,-0.4 2,-0.3 -0.919 11.9-163.8-104.4 136.8 6.3 43.4 17.0 89 121 A K E -BC 74 98A 86 9,-2.5 9,-2.1 -2,-0.5 2,-0.4 -0.910 1.8-163.9-118.3 146.7 3.6 45.5 15.3 90 122 A Y E - C 0 97A 10 -17,-2.3 2,-0.6 -2,-0.3 7,-0.2 -0.989 9.1-157.9-135.2 140.4 4.3 48.2 12.7 91 123 A D E >> - C 0 96A 70 5,-2.5 4,-2.0 -2,-0.4 5,-0.8 -0.956 4.6-160.8-120.5 110.8 2.0 50.9 11.5 92 124 A F T 45S+ 0 0 53 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.837 85.3 61.1 -67.9 -30.1 3.0 52.3 8.1 93 125 A K T 45S+ 0 0 168 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.901 121.8 21.8 -61.4 -38.9 1.1 55.5 8.3 94 126 A T T 45S- 0 0 75 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.594 98.7-129.6 -98.4 -18.9 2.9 56.7 11.3 95 127 A S T <5 + 0 0 59 -4,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.631 56.1 148.5 70.3 20.3 6.1 54.6 10.9 96 128 A I E < +C 91 0A 112 -5,-0.8 -5,-2.5 -30,-0.0 2,-0.4 -0.742 19.9 175.1 -89.7 128.3 5.8 53.4 14.5 97 129 A A E +C 90 0A 12 -2,-0.4 -7,-0.2 -7,-0.2 -34,-0.1 -0.983 14.9 130.5-121.9 146.5 7.0 49.8 15.4 98 130 A G E -C 89 0A 22 -9,-2.1 -9,-2.5 -2,-0.4 2,-0.1 -0.968 51.3 -76.1 179.6 172.8 7.3 48.3 18.8 99 131 A P E -C 88 0A 65 0, 0.0 2,-0.4 0, 0.0 -11,-0.2 -0.390 34.3-148.0 -81.5 156.2 6.4 45.2 20.8 100 132 A S - 0 0 21 -13,-2.4 -13,-0.3 -2,-0.1 -2,-0.0 -0.936 14.8-155.3-117.4 150.3 3.0 44.2 22.2 101 133 A L S S+ 0 0 165 -2,-0.4 2,-1.3 -15,-0.1 -1,-0.1 0.349 70.9 105.3 -99.5 10.1 2.2 42.4 25.4 102 134 A I + 0 0 113 -15,-0.1 2,-0.5 2,-0.0 -2,-0.1 -0.749 53.2 171.8 -90.8 93.1 -1.2 41.3 23.8 103 135 A L - 0 0 71 -2,-1.3 2,-0.3 -18,-0.0 -2,-0.0 -0.944 8.2-172.4-114.3 126.0 0.0 37.7 23.2 104 136 A R - 0 0 22 -2,-0.5 -20,-2.8 -22,-0.1 2,-0.8 -0.768 32.3-108.3-123.0 159.8 -2.5 35.0 22.0 105 137 A D B +G 83 0B 102 -2,-0.3 3,-0.3 -22,-0.2 -22,-0.3 -0.810 33.6 177.0 -85.4 113.5 -2.8 31.3 21.4 106 138 A K > + 0 0 11 -24,-3.1 3,-1.7 -2,-0.8 6,-0.3 0.168 43.5 115.3-100.7 13.1 -2.9 31.0 17.6 107 139 A S T 3 + 0 0 43 1,-0.3 -1,-0.2 -26,-0.2 6,-0.1 0.720 68.5 58.8 -63.2 -20.3 -3.0 27.2 17.6 108 140 A A T 3 S+ 0 0 80 -3,-0.3 -1,-0.3 -26,-0.1 2,-0.2 0.638 83.8 104.6 -81.2 -10.3 -6.5 27.0 16.1 109 141 A R S X> S- 0 0 31 -3,-1.7 4,-2.0 1,-0.1 3,-0.6 -0.416 71.8-136.7 -76.6 140.1 -5.5 28.9 12.9 110 142 A E H 3> S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.838 104.4 59.7 -63.1 -27.9 -5.0 27.0 9.7 111 143 A Y H 3> S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.863 106.0 50.0 -70.6 -29.0 -1.8 28.9 9.0 112 144 A F H <> S+ 0 0 4 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95.1 49.2 -62.3 -38.9 -7.7 60.8 -25.5 270 302 A T T <4 S+ 0 0 111 -3,-2.2 -2,-0.2 -4,-0.4 -1,-0.2 0.813 82.8 139.1 -70.1 -23.0 -7.0 64.1 -23.9 271 303 A R < + 0 0 57 -4,-0.7 2,-0.3 1,-0.1 -3,-0.1 0.247 21.1 165.1 -38.3 124.8 -3.8 63.0 -22.1 272 304 A D >> - 0 0 36 1,-0.1 3,-3.4 45,-0.1 4,-0.8 -0.981 51.6-111.3-140.6 147.1 -0.9 65.5 -22.2 273 305 A I H >> S+ 0 0 0 40,-0.4 4,-1.4 -2,-0.3 3,-0.6 0.839 115.8 69.5 -44.8 -32.2 2.3 65.7 -20.1 274 306 A N H 34 S+ 0 0 102 1,-0.3 -1,-0.3 2,-0.2 -3,-0.1 0.726 91.6 59.1 -65.3 -19.5 0.7 68.8 -18.6 275 307 A D H <4 S+ 0 0 77 -3,-3.4 4,-0.3 1,-0.2 -1,-0.3 0.886 100.8 53.7 -71.6 -42.4 -1.8 66.6 -16.8 276 308 A L H << S+ 0 0 17 -4,-0.8 -2,-0.2 -3,-0.6 2,-0.2 0.857 85.5 135.2 -58.6 -37.9 0.9 64.7 -15.0 277 309 A I S < S- 0 0 26 -4,-1.4 65,-0.1 1,-0.3 61,-0.0 -0.435 77.7 -40.3 -64.4 124.3 2.3 68.0 -13.7 278 310 A Q 0 0 130 1,-0.2 -1,-0.3 -2,-0.2 -2,-0.1 -0.933 360.0 360.0-127.1 12.9 2.9 67.7 -10.9 279 311 A E 0 0 168 -4,-0.3 -1,-0.2 -101,-0.0 -3,-0.0 0.812 360.0 360.0 -64.2 360.0 0.6 65.8 -8.5 280 !* 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 0.0 281 36 B N > 0 0 125 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 129.3 30.2 29.2 0.5 282 37 B V H > + 0 0 41 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.889 360.0 48.3 -64.0 -45.1 31.0 30.2 -3.0 283 38 B E H > S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 113.6 46.3 -69.3 -42.6 28.2 28.4 -4.9 284 39 B N H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 111.3 52.1 -66.9 -35.9 25.5 29.7 -2.6 285 40 B T H X S+ 0 0 7 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.909 108.1 53.8 -64.2 -40.7 26.9 33.3 -2.8 286 41 B A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.913 106.9 49.7 -61.6 -41.6 26.9 32.9 -6.6 287 42 B K H X S+ 0 0 103 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.928 111.0 48.9 -65.3 -37.9 23.2 32.0 -6.5 288 43 B E H X S+ 0 0 57 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.928 111.7 51.4 -63.8 -44.6 22.4 35.0 -4.3 289 44 B A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.879 108.6 50.2 -60.2 -42.6 24.4 37.2 -6.7 290 45 B L H X S+ 0 0 51 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.889 109.8 50.4 -62.3 -40.5 22.5 35.8 -9.8 291 46 B H H X S+ 0 0 98 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.900 110.3 50.7 -61.4 -39.4 19.2 36.6 -8.0 292 47 B Q H X S+ 0 0 3 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.916 108.1 52.0 -65.4 -42.8 20.5 40.1 -7.4 293 48 B L H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.891 110.7 48.4 -62.8 -34.6 21.5 40.6 -11.1 294 49 B A H X S+ 0 0 45 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.917 111.7 49.1 -68.9 -38.2 18.0 39.5 -12.1 295 50 B Y H X S+ 0 0 38 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.939 115.1 43.4 -64.4 -52.9 16.4 41.9 -9.6 296 51 B T H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.902 109.9 56.9 -62.4 -38.9 18.6 44.8 -10.7 297 52 B G H X S+ 0 0 6 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.903 107.3 49.7 -55.5 -43.3 18.0 43.9 -14.4 298 53 B R H X S+ 0 0 55 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.883 108.3 53.3 -64.7 -36.3 14.2 44.2 -13.7 299 54 B E H X S+ 0 0 56 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.905 109.8 46.9 -67.1 -42.3 14.8 47.6 -12.1 300 55 B Y H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.877 110.0 53.9 -64.3 -39.4 16.7 48.8 -15.2 301 56 B N H X S+ 0 0 61 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.927 110.5 47.4 -60.9 -41.1 13.9 47.5 -17.4 302 57 B N H X S+ 0 0 8 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.912 109.6 51.2 -62.9 -43.4 11.4 49.5 -15.4 303 58 B I H X S+ 0 0 15 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.912 108.6 52.7 -63.3 -40.9 13.5 52.6 -15.5 304 59 B Q H X S+ 0 0 37 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.910 110.1 48.3 -61.3 -42.5 13.6 52.2 -19.4 305 60 B D H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.944 110.9 50.2 -59.7 -45.4 9.8 51.9 -19.5 306 61 B Q H X S+ 0 0 43 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.941 113.2 47.6 -58.3 -41.8 9.5 55.0 -17.2 307 62 B I H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.933 111.5 48.6 -66.6 -45.3 11.9 56.9 -19.6 308 63 B E H X S+ 0 0 64 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.915 110.6 52.8 -63.9 -37.5 10.1 55.9 -22.8 309 64 B T H X S+ 0 0 12 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.943 114.0 39.5 -62.4 -46.0 6.7 56.8 -21.3 310 65 B I 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-15.8 30.0 37.2 4.1 546 301 B A G < S+ 0 0 84 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 0.797 96.0 49.9 -59.2 -30.0 30.0 34.0 6.2 547 302 B T G < S+ 0 0 89 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.263 80.0 140.0 -94.4 10.2 29.4 36.3 9.1 548 303 B R < + 0 0 57 -3,-1.5 2,-0.3 3,-0.1 -3,-0.1 -0.319 24.0 173.7 -61.1 138.5 26.4 38.3 7.7 549 304 B D >> - 0 0 28 1,-0.1 3,-2.0 -509,-0.1 4,-0.8 -0.987 47.1-113.2-139.5 152.8 23.6 39.0 10.1 550 305 B I H >> S+ 0 0 0 -514,-0.4 4,-1.5 -2,-0.3 3,-0.8 0.854 115.4 68.3 -47.5 -36.1 20.4 41.1 10.0 551 306 B N H 3> S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.850 91.7 59.9 -56.4 -31.6 22.1 43.3 12.5 552 307 B D H <> S+ 0 0 79 -3,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.875 101.4 53.9 -65.0 -34.8 24.5 44.4 9.8 553 308 B L H << S+ 0 0 18 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.911 110.0 46.2 -63.5 -42.5 21.5 45.7 7.7 554 309 B I H < S+ 0 0 32 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.933 105.0 56.8 -71.1 -44.5 20.3 47.9 10.5 555 310 B Q H < 0 0 123 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.824 360.0 360.0 -53.2 -29.3 23.8 49.3 11.3 556 311 B E < 0 0 197 -4,-1.2 -3,-0.2 -5,-0.2 -2,-0.1 0.435 360.0 360.0 103.0 360.0 23.4 50.2 7.7