==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 27-JUL-04 1U55 . COMPND 2 MOLECULE: HEME-BASED METHYL-ACCEPTING CHEMOTAXIS PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOANAEROBACTER TENGCONGENSIS; . AUTHOR P.PELLICENA,D.S.KAROW,E.M.BOON,M.A.MARLETTA,J.KURIYAN . 375 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20322.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 73.6 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 . 62 16.5 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 18 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 0 1 0 5 1 0 0 2 0 0 0 0 0 1 0 0 0 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 . 4 0 0 2 0 0 0 2 0 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 . 0 0 0 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 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 1 A M 0 0 29 0, 0.0 42,-3.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 132.8 14.4 4.2 18.0 2 2 A K B >> -A 42 0A 12 40,-0.2 4,-1.7 1,-0.1 3,-0.6 -0.227 360.0-132.5 -49.9 126.3 14.8 7.7 16.5 3 3 A G H 3> S+ 0 0 0 38,-3.0 4,-2.1 1,-0.2 39,-0.1 0.867 100.4 52.5 -50.8 -49.9 11.3 8.9 15.6 4 4 A T H 3> S+ 0 0 7 37,-0.4 4,-1.4 34,-0.3 -1,-0.2 0.835 108.1 53.7 -61.4 -30.3 11.9 10.2 12.1 5 5 A I H <> S+ 0 0 25 -3,-0.6 4,-1.8 2,-0.2 3,-0.3 0.909 106.1 50.9 -70.3 -40.7 13.6 6.9 11.2 6 6 A V H X S+ 0 0 1 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.891 105.3 60.6 -61.4 -33.9 10.5 5.0 12.3 7 7 A G H X S+ 0 0 11 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.893 101.4 50.4 -58.6 -40.9 8.7 7.5 10.1 8 8 A T H X S+ 0 0 0 -4,-1.4 4,-2.7 -3,-0.3 -1,-0.2 0.904 108.4 53.1 -66.0 -38.5 10.6 6.2 7.1 9 9 A W H X S+ 0 0 5 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.883 105.8 53.3 -63.5 -37.8 9.7 2.6 8.0 10 10 A I H X S+ 0 0 12 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.942 111.4 45.8 -63.1 -44.5 6.0 3.5 8.1 11 11 A K H X S+ 0 0 69 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.925 113.2 49.5 -62.4 -45.6 6.2 5.0 4.6 12 12 A T H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.873 108.0 54.1 -62.8 -36.9 8.2 2.0 3.3 13 13 A L H X>S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.5 0.845 106.1 52.8 -65.4 -34.6 5.6 -0.4 4.8 14 14 A R H X5S+ 0 0 66 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.896 108.7 50.4 -66.7 -39.6 2.9 1.5 3.0 15 15 A D H <5S+ 0 0 86 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.882 119.0 37.9 -64.3 -37.5 4.9 1.0 -0.3 16 16 A L H <5S+ 0 0 49 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.901 134.9 11.3 -80.4 -45.0 5.2 -2.7 0.5 17 17 A Y H <5S- 0 0 36 -4,-3.2 4,-0.4 1,-0.1 -3,-0.2 0.497 102.9-105.4-119.9 -6.7 1.9 -3.8 2.0 18 18 A G X< - 0 0 27 -4,-1.5 4,-1.9 -5,-0.5 5,-0.2 0.032 31.4 -80.7 99.4 155.0 -0.6 -1.0 1.6 19 19 A N H > S+ 0 0 91 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.807 121.2 58.9 -63.9 -32.6 -2.4 1.7 3.6 20 20 A D H > S+ 0 0 120 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.962 108.3 43.5 -63.2 -52.4 -4.9 -0.7 5.1 21 21 A V H > S+ 0 0 25 -4,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.936 119.8 43.9 -57.4 -47.1 -2.3 -3.0 6.7 22 22 A V H X S+ 0 0 3 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.938 112.8 49.7 -66.3 -48.2 -0.3 -0.0 8.0 23 23 A D H X S+ 0 0 78 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.929 112.6 48.3 -57.3 -45.2 -3.2 2.0 9.2 24 24 A E H X S+ 0 0 93 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.896 112.4 49.2 -61.7 -41.2 -4.6 -1.0 11.1 25 25 A S H X S+ 0 0 0 -4,-2.0 4,-0.5 -5,-0.2 -2,-0.2 0.913 111.9 46.9 -66.1 -43.6 -1.2 -1.7 12.6 26 26 A L H ><>S+ 0 0 14 -4,-2.8 5,-2.8 1,-0.2 3,-0.9 0.850 109.7 55.4 -67.5 -32.1 -0.7 1.9 13.8 27 27 A K H ><5S+ 0 0 174 -4,-2.2 3,-2.0 -5,-0.3 -1,-0.2 0.895 98.3 62.6 -67.0 -36.5 -4.2 1.9 15.2 28 28 A S H 3<5S+ 0 0 63 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.685 109.0 41.1 -62.3 -19.4 -3.3 -1.2 17.3 29 29 A V T <<5S- 0 0 15 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.107 120.4-105.2-115.3 20.7 -0.6 0.8 19.1 30 30 A G T < 5 + 0 0 50 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.716 56.1 171.0 66.4 25.1 -2.7 4.0 19.4 31 31 A W < - 0 0 20 -5,-2.8 -1,-0.2 -6,-0.1 3,-0.1 -0.535 37.8-115.7 -71.5 124.8 -0.9 6.0 16.8 32 32 A E > - 0 0 105 -2,-0.4 3,-1.6 1,-0.1 -1,-0.1 -0.311 39.0 -97.3 -59.5 136.9 -2.7 9.2 16.0 33 33 A P T 3 S+ 0 0 117 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.305 108.0 4.9 -58.1 137.0 -4.0 9.4 12.4 34 34 A D T 3 S- 0 0 160 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.830 94.0-174.0 56.0 31.7 -1.7 11.2 10.0 35 35 A R < - 0 0 62 -3,-1.6 2,-0.6 1,-0.1 -1,-0.2 -0.323 13.5-148.8 -59.6 137.0 0.7 11.5 13.0 36 36 A V - 0 0 119 -3,-0.1 2,-0.4 -2,-0.0 -1,-0.1 -0.949 7.3-147.4-113.7 118.7 3.8 13.6 12.2 37 37 A I - 0 0 27 -2,-0.6 -2,-0.0 -34,-0.1 0, 0.0 -0.689 12.4-141.7 -88.8 135.6 7.0 12.6 14.0 38 38 A T > - 0 0 17 -2,-0.4 3,-1.6 1,-0.1 -34,-0.3 -0.596 23.1-108.1 -96.4 157.3 9.5 15.4 14.9 39 39 A P T 3 S+ 0 0 13 0, 0.0 -35,-0.1 0, 0.0 -36,-0.1 0.687 117.0 47.7 -52.2 -28.8 13.3 15.3 14.8 40 40 A L T 3 S+ 0 0 32 -38,-0.1 2,-0.1 231,-0.1 -3,-0.0 0.541 89.9 111.5 -93.8 -6.8 13.8 15.2 18.6 41 41 A E < - 0 0 18 -3,-1.6 -38,-3.0 -39,-0.1 2,-0.4 -0.373 48.8-162.0 -72.4 143.9 11.2 12.4 19.1 42 42 A D B -A 2 0A 80 -40,-0.3 2,-0.5 -39,-0.1 -40,-0.2 -0.978 6.9-151.2-124.2 135.6 12.2 8.9 20.2 43 43 A I - 0 0 2 -42,-3.1 5,-0.1 -2,-0.4 -37,-0.0 -0.949 28.6-106.1-114.4 125.4 9.8 5.9 19.7 44 44 A D >> - 0 0 105 -2,-0.5 4,-1.8 1,-0.2 3,-0.9 -0.160 21.3-134.7 -46.6 128.7 9.9 3.0 22.1 45 45 A D H 3> S+ 0 0 48 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.836 106.7 56.9 -56.5 -34.2 11.6 -0.1 20.4 46 46 A D H 3> S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.819 102.6 53.8 -68.5 -29.7 8.8 -2.2 21.8 47 47 A E H <> S+ 0 0 45 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.918 109.6 48.3 -69.4 -41.7 6.2 -0.1 20.0 48 48 A V H X S+ 0 0 6 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.931 110.0 52.6 -62.5 -44.1 8.1 -0.6 16.8 49 49 A R H X S+ 0 0 148 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.905 109.8 48.7 -58.8 -41.3 8.2 -4.4 17.5 50 50 A R H X S+ 0 0 107 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.873 108.3 53.2 -68.5 -35.7 4.4 -4.4 18.0 51 51 A I H X S+ 0 0 3 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.950 112.7 44.5 -62.8 -48.9 3.7 -2.5 14.8 52 52 A F H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.801 107.7 58.5 -66.0 -29.6 5.8 -5.0 12.8 53 53 A A H X S+ 0 0 49 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.900 107.5 47.9 -66.0 -37.8 4.2 -7.9 14.6 54 54 A K H X S+ 0 0 54 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.856 109.7 51.3 -70.4 -37.5 0.8 -6.7 13.4 55 55 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 6,-0.4 0.922 110.9 50.0 -64.8 -41.3 2.0 -6.3 9.8 56 56 A S H X S+ 0 0 25 -4,-2.2 4,-2.1 2,-0.2 5,-0.5 0.938 111.3 48.4 -60.0 -48.7 3.3 -9.9 10.1 57 57 A E H < S+ 0 0 126 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.911 116.1 43.2 -57.3 -46.7 -0.0 -11.1 11.3 58 58 A K H < S+ 0 0 65 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.809 121.3 37.2 -73.2 -33.7 -2.0 -9.3 8.6 59 59 A T H < S- 0 0 41 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.648 98.5-129.9 -94.0 -16.7 0.3 -10.1 5.7 60 60 A G < + 0 0 68 -4,-2.1 2,-0.3 -5,-0.3 -3,-0.2 0.590 64.5 133.2 78.0 9.5 1.1 -13.7 6.8 61 61 A K - 0 0 71 -5,-0.5 -1,-0.3 -6,-0.4 -2,-0.2 -0.729 64.3-106.3 -96.6 143.8 4.8 -12.9 6.3 62 62 A N >> - 0 0 90 -2,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.407 28.0-121.8 -65.9 141.1 7.5 -13.7 8.8 63 63 A V H 3> S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.843 111.8 54.7 -53.6 -37.9 8.8 -10.6 10.7 64 64 A N H 3> S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.883 107.0 49.8 -66.0 -38.0 12.4 -11.3 9.5 65 65 A E H <> S+ 0 0 85 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.873 110.1 52.4 -66.4 -37.3 11.3 -11.4 5.9 66 66 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.937 108.9 48.4 -64.0 -45.8 9.5 -8.1 6.5 67 67 A W H X S+ 0 0 30 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.893 110.7 51.9 -62.2 -37.8 12.6 -6.5 7.9 68 68 A R H X S+ 0 0 54 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.929 113.0 43.9 -63.7 -45.3 14.6 -7.7 5.0 69 69 A E H X S+ 0 0 39 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.869 112.8 52.4 -68.0 -37.5 12.2 -6.2 2.5 70 70 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.926 109.1 50.2 -65.0 -41.3 11.9 -3.0 4.5 71 71 A G H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.929 110.8 49.1 -61.5 -44.3 15.7 -2.7 4.5 72 72 A R H < S+ 0 0 101 -4,-2.0 4,-0.3 1,-0.2 3,-0.2 0.881 120.6 36.0 -62.1 -38.5 15.9 -3.2 0.7 73 73 A Q H X S+ 0 0 81 -4,-2.1 4,-1.1 1,-0.2 3,-0.5 0.636 101.4 73.8 -91.6 -17.3 13.1 -0.6 0.1 74 74 A N H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.733 82.1 69.8 -73.4 -18.1 14.0 1.9 2.8 75 75 A I H X S+ 0 0 6 -4,-0.7 4,-2.5 -3,-0.2 -1,-0.2 0.917 99.3 50.3 -64.1 -38.6 17.1 3.2 0.9 76 76 A K H > S+ 0 0 116 -3,-0.5 4,-1.2 -4,-0.3 -1,-0.2 0.943 111.0 49.1 -61.6 -45.4 14.8 4.8 -1.6 77 77 A T H >X S+ 0 0 2 -4,-1.1 4,-2.3 1,-0.2 3,-0.7 0.939 111.0 49.6 -59.6 -47.0 12.8 6.4 1.2 78 78 A F H 3X S+ 0 0 35 -4,-3.0 4,-3.2 1,-0.2 -1,-0.2 0.889 105.6 57.4 -58.1 -41.2 16.0 7.7 2.8 79 79 A S H 3< S+ 0 0 22 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.794 112.6 41.7 -62.6 -25.8 17.1 9.1 -0.6 80 80 A E H << S+ 0 0 95 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.846 123.6 34.6 -87.7 -39.3 13.9 11.2 -0.7 81 81 A W H < S+ 0 0 96 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.757 132.3 28.3 -86.6 -30.7 13.7 12.3 3.0 82 82 A F S >< S+ 0 0 7 -4,-3.2 3,-1.7 -5,-0.3 4,-0.2 -0.403 70.5 156.9-129.6 56.6 17.5 12.7 3.6 83 83 A P G >> + 0 0 59 0, 0.0 3,-1.9 0, 0.0 4,-1.8 0.752 63.0 71.7 -53.2 -31.0 18.8 13.5 0.1 84 84 A S G 34 S+ 0 0 75 1,-0.3 -5,-0.1 2,-0.2 -2,-0.0 0.747 90.5 59.8 -61.6 -24.5 22.0 15.2 1.4 85 85 A Y G <4 S+ 0 0 26 -3,-1.7 -1,-0.3 -7,-0.2 -6,-0.1 0.511 111.8 39.7 -81.3 -5.0 23.5 11.9 2.5 86 86 A F T X4 S+ 0 0 19 -3,-1.9 3,-1.1 -4,-0.2 -2,-0.2 0.734 83.9 112.7-111.2 -35.5 23.3 10.6 -1.1 87 87 A A T 3< S- 0 0 68 -4,-1.8 -3,-0.0 1,-0.2 -8,-0.0 -0.054 92.2 -7.0 -45.7 134.6 24.4 13.6 -3.3 88 88 A G T 3 S+ 0 0 91 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.806 103.1 126.8 45.3 44.6 27.7 13.2 -5.1 89 89 A R < - 0 0 84 -3,-1.1 2,-0.2 4,-0.0 -1,-0.2 -0.956 52.0-138.9-132.4 150.7 28.7 10.0 -3.4 90 90 A R > - 0 0 142 -2,-0.3 4,-2.3 1,-0.1 3,-0.3 -0.640 37.4-104.8 -97.0 161.0 29.9 6.6 -4.5 91 91 A L H > S+ 0 0 0 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.900 119.2 52.2 -54.7 -44.9 28.6 3.4 -2.7 92 92 A V H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 110.9 47.3 -60.9 -39.4 31.9 2.8 -0.8 93 93 A N H > S+ 0 0 78 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.904 111.4 52.3 -66.0 -42.3 31.9 6.4 0.5 94 94 A F H >X S+ 0 0 10 -4,-2.3 3,-0.7 1,-0.2 4,-0.6 0.960 111.9 45.0 -57.8 -54.2 28.3 6.1 1.5 95 95 A L H >< S+ 0 0 6 -4,-2.7 3,-1.0 1,-0.2 4,-0.4 0.894 109.6 54.7 -60.0 -42.1 28.9 2.9 3.4 96 96 A M H 3< S+ 0 0 72 -4,-2.2 4,-0.3 1,-0.2 23,-0.3 0.742 107.0 51.0 -67.9 -20.8 32.0 4.1 5.2 97 97 A M H S+ 0 0 21 18,-0.5 4,-1.3 -4,-0.4 -1,-0.2 0.917 111.8 43.6 -57.5 -41.0 28.9 4.7 11.5 100 100 A E H > S+ 0 0 93 -3,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.884 110.6 55.2 -69.9 -39.1 29.4 8.5 12.0 101 101 A V H X S+ 0 0 15 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.907 107.3 49.8 -61.5 -42.4 25.9 9.3 10.6 102 102 A H H X S+ 0 0 55 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.850 110.6 49.5 -68.1 -31.6 24.3 7.1 13.2 103 103 A L H >X S+ 0 0 57 -4,-1.3 4,-0.8 -5,-0.3 3,-0.7 0.924 112.7 49.1 -70.1 -41.6 26.2 8.6 16.0 104 104 A Q H >< S+ 0 0 28 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.918 109.3 49.5 -62.0 -47.9 25.3 12.1 14.8 105 105 A L H 3< S+ 0 0 20 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.561 117.5 40.6 -73.2 -7.6 21.6 11.4 14.5 106 106 A T H X< S+ 0 0 24 -3,-0.7 3,-1.5 -4,-0.6 -1,-0.2 0.433 81.3 104.9-117.7 -2.3 21.3 9.9 17.9 107 107 A K T << S+ 0 0 79 -4,-0.8 2,-0.3 -3,-0.7 5,-0.2 0.865 84.3 43.6 -46.1 -49.4 23.5 12.3 19.9 108 108 A M T 3 S+ 0 0 26 -4,-0.3 2,-0.4 162,-0.1 -1,-0.3 -0.181 88.8 104.4 -98.1 45.1 20.7 14.1 21.6 109 109 A I S X S- 0 0 22 -3,-1.5 3,-0.7 -2,-0.3 2,-0.2 -0.986 79.5-109.3-121.0 129.7 18.5 11.2 22.5 110 110 A K T 3 S+ 0 0 136 -2,-0.4 -2,-0.1 1,-0.3 117,-0.0 -0.399 102.3 7.5 -61.5 126.9 18.4 10.0 26.2 111 111 A G T 3 S- 0 0 63 1,-0.2 2,-0.3 -2,-0.2 -1,-0.3 0.969 90.6-154.3 64.8 54.4 20.2 6.7 26.5 112 112 A A < + 0 0 46 -3,-0.7 -1,-0.2 -5,-0.2 -6,-0.0 -0.441 25.3 169.0 -66.5 123.9 21.5 6.6 22.9 113 113 A T + 0 0 88 -2,-0.3 21,-0.1 -7,-0.0 -1,-0.1 -0.494 10.4 168.7-133.5 63.1 22.1 3.2 21.6 114 114 A P - 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0 0 33 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.191 33.6 -79.9 79.7 158.1 39.4 24.3 19.0 208 19 B N H > S+ 0 0 90 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.841 121.6 63.2 -64.1 -37.9 39.5 21.7 21.8 209 20 B D H > S+ 0 0 128 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.945 107.4 42.1 -54.1 -52.4 42.3 23.5 23.8 210 21 B V H X S+ 0 0 25 -4,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.890 119.0 45.2 -63.1 -40.9 40.2 26.6 24.4 211 22 B V H X S+ 0 0 1 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.904 109.6 53.8 -71.8 -42.1 37.0 24.6 25.2 212 23 B D H X S+ 0 0 35 -4,-3.6 4,-1.7 1,-0.2 -2,-0.2 0.956 111.1 45.5 -56.5 -52.7 38.7 22.1 27.5 213 24 B E H X S+ 0 0 80 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.848 111.9 53.4 -60.3 -36.1 40.2 24.8 29.7 214 25 B S H < S+ 0 0 0 -4,-1.4 4,-0.4 -5,-0.2 -1,-0.2 0.911 107.9 48.6 -66.9 -42.8 36.9 26.7 29.7 215 26 B L H ><>S+ 0 0 3 -4,-2.5 5,-1.8 1,-0.2 3,-0.7 0.818 109.3 55.5 -66.8 -30.0 34.9 23.7 30.9 216 27 B K H ><5S+ 0 0 106 -4,-1.7 3,-2.9 1,-0.2 -2,-0.2 0.939 95.0 63.7 -67.6 -48.0 37.5 23.1 33.6 217 28 B S T 3<5S+ 0 0 53 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.635 107.9 44.8 -53.1 -15.1 37.2 26.6 35.1 218 29 B V T < 5S- 0 0 12 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.399 126.8 -95.4-109.9 -0.1 33.6 25.7 36.0 219 30 B G T < 5S+ 0 0 67 -3,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.847 78.6 133.6 90.0 38.4 34.2 22.2 37.4 220 31 B W < - 0 0 17 -5,-1.8 -1,-0.3 -8,-0.1 -2,-0.1 -0.837 60.0-106.6-118.8 156.5 33.5 20.1 34.3 221 32 B E > - 0 0 128 -2,-0.3 3,-2.8 1,-0.1 -5,-0.0 -0.678 30.0-122.6 -82.5 133.1 35.3 17.2 32.7 222 33 B P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 0.684 114.1 35.1 -46.2 -22.3 37.1 18.2 29.4 223 34 B D T 3 S+ 0 0 119 -8,-0.0 -11,-0.0 2,-0.0 -2,-0.0 -0.054 84.1 160.9-126.0 31.7 35.1 15.5 27.7 224 35 B R < - 0 0 82 -3,-2.8 2,-0.8 1,-0.1 -4,-0.0 -0.246 34.1-139.2 -57.1 139.1 31.8 15.7 29.6 225 36 B V - 0 0 123 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.878 16.8-150.0-105.4 103.3 28.8 14.1 27.9 226 37 B I - 0 0 13 -2,-0.8 6,-0.0 -34,-0.1 5,-0.0 -0.553 10.7-134.5 -77.2 133.3 25.8 16.3 28.3 227 38 B T > - 0 0 54 -2,-0.3 3,-0.8 1,-0.1 -35,-0.3 -0.634 16.8-119.2 -89.7 144.0 22.4 14.5 28.4 228 39 B P T 3 S+ 0 0 12 0, 0.0 -35,-1.5 0, 0.0 -34,-0.2 0.798 116.1 29.4 -47.4 -38.2 19.3 15.8 26.4 229 40 B L T 3 S+ 0 0 72 -37,-0.2 -121,-0.0 -38,-0.2 -3,-0.0 0.476 91.9 123.7-104.4 -5.8 17.3 16.2 29.6 230 41 B E < - 0 0 53 -3,-0.8 -38,-1.8 -39,-0.1 2,-0.5 -0.289 64.4-120.6 -58.1 137.0 20.2 17.0 31.9 231 42 B D B -F 191 0C 113 -40,-0.2 2,-0.5 -39,-0.1 -40,-0.2 -0.723 27.4-167.4 -87.0 123.1 19.9 20.3 33.8 232 43 B I - 0 0 5 -42,-2.7 2,-0.3 -2,-0.5 5,-0.0 -0.944 24.0-120.1-113.9 126.2 22.7 22.7 33.2 233 44 B D >> - 0 0 85 -2,-0.5 4,-1.4 1,-0.1 3,-0.6 -0.471 15.3-144.1 -66.1 123.9 23.1 25.8 35.4 234 45 B D H >> S+ 0 0 88 -2,-0.3 4,-2.6 1,-0.3 3,-0.8 0.929 99.5 54.1 -53.9 -52.9 22.9 29.0 33.3 235 46 B D H 3> S+ 0 0 73 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.815 105.8 55.8 -54.2 -30.2 25.4 30.9 35.3 236 47 B E H <> S+ 0 0 44 -3,-0.6 4,-1.5 2,-0.2 -1,-0.3 0.866 107.3 47.8 -71.1 -35.8 27.8 28.0 34.7 237 48 B V H S+ 0 0 26 -4,-2.6 4,-3.0 1,-0.2 5,-0.8 0.941 111.6 47.7 -54.8 -49.8 36.0 35.4 25.5 246 57 B E H <5S+ 0 0 144 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.937 114.8 43.1 -57.7 -53.4 39.1 35.7 27.6 247 58 B K H <5S+ 0 0 94 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.699 121.7 40.2 -69.9 -21.1 41.2 33.1 25.8 248 59 B T H <5S- 0 0 45 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.784 100.9-128.1 -96.8 -33.3 40.1 34.3 22.3 249 60 B G T <5 + 0 0 67 -4,-3.0 2,-0.4 1,-0.4 -3,-0.2 0.579 69.1 119.0 95.0 11.2 40.1 38.0 22.9 250 61 B K < - 0 0 63 -5,-0.8 -1,-0.4 -6,-0.3 -2,-0.2 -0.877 69.2-109.2-109.5 142.5 36.6 38.6 21.6 251 62 B N > - 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