==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TSE2-BINDING PROTEIN 27-APR-11 3RQ9 . COMPND 2 MOLECULE: TYPE VI SECRETION IMMUNITY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.LI,I.LE TRONG,R.E.STENKAMP,J.D.MOUGOUS . 162 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 61.1 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+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 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 1 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 2 A N 0 0 165 0, 0.0 131,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 131.2 17.2 45.2 -6.3 2 3 A L - 0 0 26 1,-0.1 123,-0.0 2,-0.1 127,-0.0 -0.304 360.0-112.7 -64.4 141.9 17.9 43.1 -3.3 3 4 A K >> - 0 0 131 1,-0.1 4,-2.0 122,-0.1 3,-0.6 -0.391 19.4-120.6 -72.9 150.3 21.4 41.9 -2.9 4 5 A P H 3> S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.867 113.8 57.4 -62.6 -33.9 22.1 38.2 -3.1 5 6 A Q H 3> S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.851 105.7 52.2 -62.1 -35.9 23.5 38.1 0.4 6 7 A T H <> S+ 0 0 7 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.921 107.2 50.8 -62.7 -45.4 20.1 39.5 1.6 7 8 A L H X S+ 0 0 11 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.918 109.6 52.4 -57.5 -43.4 18.3 36.8 -0.2 8 9 A M H X S+ 0 0 20 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.940 111.5 44.5 -59.0 -50.0 20.5 34.2 1.5 9 10 A V H X S+ 0 0 15 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.917 114.4 49.5 -61.8 -43.5 19.9 35.6 5.0 10 11 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.927 111.8 48.3 -61.6 -46.8 16.1 35.8 4.3 11 12 A I H X S+ 0 0 5 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.929 114.1 46.9 -57.5 -48.3 16.0 32.3 3.0 12 13 A Q H X S+ 0 0 79 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.903 114.1 46.8 -61.8 -43.2 18.0 31.0 6.0 13 14 A C H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.870 111.8 48.7 -72.1 -37.9 15.9 32.9 8.5 14 15 A V H X S+ 0 0 2 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.929 113.8 48.4 -65.1 -42.1 12.5 31.9 7.0 15 16 A A H X S+ 0 0 17 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.912 112.4 49.0 -62.3 -43.9 13.7 28.2 6.9 16 17 A A H X S+ 0 0 13 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.924 112.3 46.7 -65.4 -44.3 14.9 28.5 10.6 17 18 A R H X S+ 0 0 41 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.885 110.2 54.1 -64.9 -37.6 11.7 30.0 11.9 18 19 A T H X S+ 0 0 17 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.945 112.1 44.2 -60.2 -46.8 9.6 27.5 10.0 19 20 A R H X S+ 0 0 63 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.918 113.0 50.8 -61.8 -47.1 11.6 24.6 11.7 20 21 A E H X S+ 0 0 56 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.919 113.9 44.0 -61.1 -43.0 11.4 26.2 15.1 21 22 A L H X S+ 0 0 13 -4,-2.6 4,-0.5 1,-0.2 3,-0.5 0.917 113.0 51.5 -69.6 -41.7 7.7 26.7 14.9 22 23 A D H >< S+ 0 0 83 -4,-2.7 3,-1.4 -5,-0.2 4,-0.5 0.889 102.8 61.0 -56.4 -40.7 7.1 23.3 13.5 23 24 A A H 3< S+ 0 0 71 -4,-2.3 3,-0.2 1,-0.3 -1,-0.2 0.799 108.1 42.6 -62.1 -32.2 9.1 21.7 16.3 24 25 A Q H >X S+ 0 0 82 -4,-1.0 4,-1.5 -3,-0.5 3,-0.7 0.479 85.3 93.1 -93.7 -2.4 6.8 22.9 19.0 25 26 A L T << S+ 0 0 28 -3,-1.4 3,-0.2 -4,-0.5 8,-0.2 0.879 81.0 59.3 -58.4 -39.5 3.5 22.3 17.4 26 27 A Q T 34 S+ 0 0 182 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.817 113.1 37.0 -60.5 -37.7 3.1 18.9 19.0 27 28 A N T <4 S+ 0 0 104 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.2 0.625 98.9 98.4 -85.7 -24.2 3.3 20.4 22.5 28 29 A D S < S- 0 0 27 -4,-1.5 -3,-0.0 -3,-0.2 3,-0.0 -0.266 91.6 -88.9 -65.0 155.4 1.4 23.5 21.8 29 30 A D >> - 0 0 111 1,-0.1 4,-2.9 4,-0.0 3,-0.6 -0.451 39.5-123.9 -55.8 133.8 -2.3 23.9 22.6 30 31 A P H 3> S+ 0 0 109 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.872 111.2 57.9 -53.0 -37.4 -4.2 22.6 19.5 31 32 A Q H 3> S+ 0 0 148 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.906 112.5 40.0 -58.1 -43.3 -6.0 25.9 19.2 32 33 A N H <> S+ 0 0 65 -3,-0.6 4,-2.5 2,-0.2 3,-0.2 0.907 113.3 53.9 -70.4 -45.7 -2.7 27.8 19.0 33 34 A A H X S+ 0 0 8 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.879 104.8 55.4 -58.3 -37.7 -1.1 25.1 16.8 34 35 A A H X S+ 0 0 47 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.872 108.8 47.1 -64.5 -39.0 -3.9 25.4 14.3 35 36 A E H X S+ 0 0 118 -4,-1.1 4,-1.9 -3,-0.2 3,-0.4 0.934 112.5 49.6 -70.6 -41.1 -3.4 29.1 13.9 36 37 A L H X S+ 0 0 27 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.868 102.7 62.7 -61.3 -37.8 0.4 28.6 13.5 37 38 A E H X S+ 0 0 101 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.892 105.4 45.5 -56.6 -36.6 -0.3 26.0 10.9 38 39 A Q H X S+ 0 0 154 -4,-1.1 4,-1.4 -3,-0.4 3,-0.3 0.913 110.8 51.8 -75.6 -40.4 -1.9 28.6 8.8 39 40 A L H X S+ 0 0 87 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.886 106.5 57.1 -56.5 -38.7 0.9 31.2 9.4 40 41 A L H X S+ 0 0 9 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.828 99.0 56.4 -70.5 -31.1 3.4 28.5 8.3 41 42 A V H X S+ 0 0 85 -4,-1.2 4,-2.2 -3,-0.3 -1,-0.2 0.911 107.1 52.4 -62.3 -41.9 1.7 28.0 4.9 42 43 A G H X S+ 0 0 26 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.885 106.4 52.3 -58.8 -39.7 2.3 31.7 4.5 43 44 A Y H X S+ 0 0 26 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.914 108.2 51.2 -60.3 -42.7 5.9 31.2 5.3 44 45 A D H X S+ 0 0 79 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.887 107.7 52.2 -65.7 -36.5 6.2 28.5 2.7 45 46 A L H X S+ 0 0 116 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.923 112.3 46.3 -61.6 -44.2 4.6 30.8 0.1 46 47 A A H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.910 109.0 55.6 -62.4 -43.2 7.2 33.5 1.0 47 48 A A H X S+ 0 0 19 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.881 107.3 49.8 -57.6 -38.3 9.9 30.8 0.9 48 49 A D H X S+ 0 0 92 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.887 109.6 49.3 -69.4 -41.1 8.9 29.9 -2.7 49 50 A D H X S+ 0 0 28 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.925 112.2 49.9 -62.1 -42.9 9.0 33.6 -3.9 50 51 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.903 108.5 52.7 -62.2 -42.5 12.5 33.9 -2.3 51 52 A K H X S+ 0 0 76 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.932 108.0 50.8 -58.2 -44.3 13.6 30.7 -4.1 52 53 A N H X S+ 0 0 108 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.922 112.0 46.6 -62.3 -42.5 12.5 32.1 -7.4 53 54 A A H X S+ 0 0 12 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.891 112.1 51.5 -63.5 -39.0 14.4 35.4 -6.8 54 55 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.889 106.1 53.6 -68.1 -38.0 17.4 33.4 -5.7 55 56 A E H X S+ 0 0 89 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.902 108.4 50.5 -65.5 -37.3 17.4 31.3 -8.8 56 57 A Q H >X S+ 0 0 122 -4,-1.8 3,-0.9 -5,-0.2 4,-0.6 0.945 109.8 51.0 -62.2 -43.1 17.4 34.5 -10.8 57 58 A A H >X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.3 3,-1.5 0.884 101.9 60.8 -59.4 -38.7 20.4 35.7 -8.8 58 59 A L H 3< S+ 0 0 55 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.762 104.5 50.3 -63.1 -26.0 22.2 32.4 -9.4 59 60 A G H << S+ 0 0 62 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.595 118.3 38.0 -83.5 -9.8 22.0 33.3 -13.1 60 61 A Q H << S+ 0 0 144 -3,-1.5 2,-0.3 -4,-0.6 -2,-0.2 0.733 113.5 46.3-107.9 -33.6 23.4 36.8 -12.5 61 62 A Y < - 0 0 120 -4,-2.6 3,-0.2 -5,-0.1 2,-0.2 -0.894 62.2-143.1-124.8 145.2 26.1 36.5 -9.9 62 63 A S S S+ 0 0 120 -2,-0.3 -3,-0.0 1,-0.2 -2,-0.0 -0.492 76.6 49.9 -89.5 168.1 29.0 34.2 -9.1 63 64 A G S S+ 0 0 76 1,-0.3 -1,-0.2 -2,-0.2 -5,-0.0 0.803 76.3 126.5 76.0 32.5 30.0 33.1 -5.6 64 65 A L - 0 0 30 -3,-0.2 -1,-0.3 -6,-0.1 3,-0.1 -0.935 55.3-123.4-122.3 142.7 26.6 31.9 -4.3 65 66 A P - 0 0 42 0, 0.0 5,-0.1 0, 0.0 -7,-0.0 -0.369 40.1 -85.3 -80.4 159.8 25.8 28.5 -2.8 66 67 A P >> - 0 0 78 0, 0.0 3,-1.3 0, 0.0 4,-0.9 -0.328 38.6-118.8 -59.6 145.6 23.1 26.1 -4.2 67 68 A Y H >> S+ 0 0 20 1,-0.3 4,-1.1 2,-0.2 3,-0.7 0.882 111.6 60.7 -51.7 -46.8 19.6 26.9 -2.8 68 69 A D H 34 S+ 0 0 88 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.792 100.2 57.3 -59.5 -28.0 19.2 23.5 -1.2 69 70 A R H X4 S+ 0 0 145 -3,-1.3 3,-0.6 1,-0.2 -1,-0.2 0.866 101.7 55.1 -67.1 -37.8 22.3 24.3 1.0 70 71 A L H << S+ 0 0 15 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.756 113.6 39.5 -62.2 -33.5 20.7 27.5 2.4 71 72 A I T 3< S+ 0 0 58 -4,-1.1 -1,-0.2 -3,-0.1 -2,-0.2 0.437 85.2 122.8-102.9 -0.8 17.6 25.7 3.6 72 73 A E S < S- 0 0 114 -3,-0.6 3,-0.1 -4,-0.5 -3,-0.0 -0.347 71.5-113.6 -61.2 137.1 19.3 22.5 4.9 73 74 A E - 0 0 66 1,-0.1 -1,-0.1 -2,-0.1 5,-0.1 -0.600 43.3-100.4 -69.2 132.6 18.6 21.9 8.5 74 75 A P >> - 0 0 63 0, 0.0 3,-1.5 0, 0.0 4,-0.8 -0.240 21.5-129.4 -57.9 139.7 21.9 22.3 10.4 75 76 A A G >4 S+ 0 0 73 1,-0.3 3,-0.8 2,-0.2 -2,-0.1 0.800 103.2 64.5 -58.0 -37.0 23.7 19.1 11.3 76 77 A S G 34 S+ 0 0 127 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.697 106.6 45.1 -68.8 -15.3 24.1 20.1 15.0 77 78 A L G <4 0 0 127 -3,-1.5 -1,-0.3 0, 0.0 -2,-0.2 0.626 360.0 360.0 -95.7 -20.1 20.4 20.1 15.4 78 79 A E << 0 0 130 -4,-0.8 0, 0.0 -3,-0.8 0, 0.0 -0.676 360.0 360.0-107.6 360.0 19.5 16.8 13.6 79 !* 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 80 2 B N 0 0 138 0, 0.0 2,-0.4 0, 0.0 -27,-0.1 0.000 360.0 360.0 360.0 134.7 10.6 40.6 -7.7 81 3 B L - 0 0 17 51,-0.1 -35,-0.0 -29,-0.1 -31,-0.0 -0.993 360.0-124.6-115.9 134.2 9.4 39.8 -4.2 82 4 B K > - 0 0 125 -2,-0.4 4,-2.4 1,-0.1 3,-0.3 -0.332 25.6-112.3 -66.5 154.6 5.8 40.3 -3.3 83 5 B P H > S+ 0 0 47 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.892 118.9 53.8 -54.2 -41.5 4.9 42.5 -0.4 84 6 B Q H > S+ 0 0 123 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 108.0 50.1 -62.8 -39.5 3.7 39.5 1.7 85 7 B T H > S+ 0 0 10 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.915 109.5 50.7 -63.5 -44.4 7.0 37.8 1.1 86 8 B L H X S+ 0 0 4 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.916 109.7 50.9 -60.8 -41.4 8.9 41.0 2.2 87 9 B M H X S+ 0 0 14 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.935 112.2 46.0 -61.9 -46.4 6.8 41.1 5.4 88 10 B V H X S+ 0 0 12 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.935 114.7 47.8 -61.2 -46.5 7.5 37.5 6.2 89 11 B A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.929 112.5 49.0 -59.7 -48.7 11.2 37.9 5.5 90 12 B I H X S+ 0 0 5 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.925 114.4 45.1 -55.6 -47.5 11.4 41.1 7.6 91 13 B Q H X S+ 0 0 84 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.873 113.7 48.6 -70.8 -34.4 9.7 39.5 10.5 92 14 B C H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.884 112.2 48.3 -72.4 -39.1 11.7 36.2 10.3 93 15 B V H X S+ 0 0 2 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.932 113.4 49.0 -63.8 -41.6 15.0 38.1 10.1 94 16 B A H X S+ 0 0 17 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.918 111.1 49.5 -63.8 -39.9 13.9 40.2 13.1 95 17 B A H X S+ 0 0 7 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.931 113.2 45.7 -65.0 -45.5 12.8 37.1 15.1 96 18 B R H X S+ 0 0 33 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.884 110.6 54.3 -66.2 -35.2 16.2 35.4 14.4 97 19 B T H X S+ 0 0 21 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.928 107.8 49.8 -60.7 -46.3 18.0 38.6 15.3 98 20 B R H X S+ 0 0 92 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.872 109.1 52.6 -60.1 -40.0 16.2 38.8 18.6 99 21 B E H X S+ 0 0 60 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.936 111.5 45.3 -64.1 -44.8 17.1 35.1 19.3 100 22 B L H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.910 111.4 52.8 -65.0 -41.4 20.8 35.8 18.7 101 23 B D H X S+ 0 0 62 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.928 108.1 51.3 -58.7 -43.3 20.7 39.0 20.8 102 24 B A H X S+ 0 0 41 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.885 108.3 51.5 -62.5 -39.4 19.2 37.0 23.7 103 25 B Q H < S+ 0 0 84 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.910 109.2 50.4 -63.3 -40.2 22.0 34.5 23.4 104 26 B L H < S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.780 112.4 47.9 -67.7 -25.2 24.6 37.3 23.5 105 27 B Q H < S+ 0 0 150 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.638 96.0 87.4 -90.2 -19.9 22.9 38.7 26.6 106 28 B N S < S- 0 0 106 -4,-1.3 2,-0.0 -3,-0.3 -3,-0.0 -0.239 96.3 -78.7 -71.1 170.0 22.7 35.4 28.5 107 29 B D S S+ 0 0 157 1,-0.2 -1,-0.2 2,-0.0 -2,-0.1 -0.380 106.7 5.9 -63.4 146.3 25.6 34.1 30.6 108 30 B D S S- 0 0 145 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.1 0.862 74.8-160.1 54.1 53.3 28.6 32.6 28.9 109 31 B P > - 0 0 49 0, 0.0 3,-0.6 0, 0.0 2,-0.4 -0.422 15.9-132.3 -64.1 132.5 27.7 33.1 25.2 110 32 B Q T 3 S- 0 0 158 1,-0.2 5,-0.2 2,-0.1 -7,-0.0 -0.766 81.8 -0.9 -86.7 137.7 29.8 30.7 23.2 111 33 B N T >> S+ 0 0 115 -2,-0.4 4,-2.1 1,-0.1 3,-0.7 0.901 76.5 172.7 54.2 44.9 31.7 32.1 20.2 112 34 B A H <> S+ 0 0 28 -3,-0.6 4,-2.4 1,-0.3 5,-0.2 0.851 71.7 57.7 -55.9 -39.2 30.3 35.6 20.9 113 35 B A H 3> S+ 0 0 49 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.895 108.7 46.7 -58.4 -40.2 32.5 37.1 18.2 114 36 B E H <> S+ 0 0 94 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.891 108.4 53.5 -72.2 -37.6 31.0 34.8 15.6 115 37 B L H X S+ 0 0 25 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.914 108.7 51.7 -59.9 -40.2 27.4 35.5 16.7 116 38 B E H X S+ 0 0 104 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.878 106.3 53.8 -64.0 -36.6 28.3 39.2 16.3 117 39 B Q H X S+ 0 0 129 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.911 108.4 49.7 -63.1 -42.6 29.5 38.4 12.7 118 40 B L H X S+ 0 0 88 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.918 108.7 53.2 -62.3 -40.9 26.1 36.7 12.0 119 41 B L H X S+ 0 0 15 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.860 102.4 57.1 -65.1 -34.9 24.3 39.8 13.4 120 42 B V H X S+ 0 0 89 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.954 111.0 44.2 -58.9 -45.3 26.2 42.1 11.1 121 43 B G H X S+ 0 0 27 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.882 112.1 52.1 -65.2 -42.4 24.9 40.1 8.2 122 44 B Y H X S+ 0 0 25 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.915 110.3 49.6 -55.1 -46.1 21.5 40.0 9.6 123 45 B D H X S+ 0 0 84 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.890 109.7 50.1 -65.0 -38.2 21.5 43.8 10.0 124 46 B L H X S+ 0 0 108 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.890 112.5 46.7 -65.4 -43.1 22.7 44.3 6.5 125 47 B A H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.914 110.3 53.7 -64.7 -42.5 19.9 42.1 5.1 126 48 B A H X S+ 0 0 21 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.901 108.8 48.6 -57.6 -45.2 17.3 43.8 7.3 127 49 B D H X S+ 0 0 78 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.890 112.5 47.9 -63.5 -40.5 18.3 47.2 6.0 128 50 B D H X S+ 0 0 27 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.929 112.1 49.4 -67.0 -44.5 18.1 46.0 2.4 129 51 B L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.882 108.4 54.7 -60.3 -39.9 14.7 44.4 3.0 130 52 B K H X S+ 0 0 58 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.933 109.1 47.2 -57.2 -48.2 13.5 47.6 4.6 131 53 B N H X S+ 0 0 97 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.907 112.7 49.1 -62.2 -41.6 14.5 49.5 1.5 132 54 B A H X S+ 0 0 13 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.879 109.0 52.7 -65.9 -39.1 12.7 47.0 -0.7 133 55 B Y H X S+ 0 0 0 -4,-2.6 4,-0.8 2,-0.2 3,-0.5 0.944 108.3 50.0 -63.4 -45.4 9.6 47.1 1.4 134 56 B E H >< S+ 0 0 101 -4,-2.4 3,-1.1 1,-0.3 -2,-0.2 0.931 110.4 51.0 -58.0 -43.0 9.4 50.9 1.1 135 57 B Q H 3< S+ 0 0 154 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.775 105.5 58.4 -60.9 -31.6 9.8 50.4 -2.7 136 58 B A H 3< S+ 0 0 36 -4,-1.4 2,-0.3 -3,-0.5 -1,-0.2 0.687 85.6 99.2 -74.2 -17.8 7.0 47.9 -2.7 137 59 B L << - 0 0 47 -3,-1.1 -3,-0.0 -4,-0.8 -4,-0.0 -0.519 69.4-131.9 -81.2 135.3 4.5 50.3 -1.2 138 60 B G > - 0 0 49 -2,-0.3 3,-1.4 1,-0.1 -1,-0.1 -0.231 33.6-101.4 -65.8 167.2 1.9 52.1 -3.4 139 61 B Q T 3 S+ 0 0 170 1,-0.3 -1,-0.1 0, 0.0 -2,-0.1 0.827 125.5 25.9 -61.9 -32.4 1.5 55.8 -3.0 140 62 B Y T 3 S+ 0 0 206 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.373 94.2 170.6-124.5 50.6 -1.7 55.1 -1.0 141 63 B S < - 0 0 48 -3,-1.4 -4,-0.1 1,-0.1 0, 0.0 -0.204 36.8-148.0 -62.2 152.8 -0.8 51.7 0.3 142 64 B G + 0 0 84 2,-0.0 -1,-0.1 0, 0.0 -5,-0.0 0.504 66.2 110.9 -86.6 -9.3 -2.8 49.8 2.9 143 65 B L S S- 0 0 60 1,-0.1 3,-0.1 -5,-0.1 -2,-0.0 -0.244 71.5-102.5 -76.6 157.9 0.3 48.1 4.2 144 66 B P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.241 39.2 -84.1 -80.0 162.9 1.7 49.0 7.6 145 67 B P >> - 0 0 69 0, 0.0 3,-1.3 0, 0.0 4,-0.9 -0.388 37.0-124.5 -54.5 139.5 4.7 51.1 8.6 146 68 B Y H >> S+ 0 0 21 1,-0.3 4,-1.1 2,-0.2 3,-1.0 0.885 109.8 63.0 -51.2 -42.3 8.0 49.2 8.5 147 69 B D H 3> S+ 0 0 115 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.792 97.2 57.4 -60.7 -29.5 8.6 50.0 12.1 148 70 B R H <4 S+ 0 0 147 -3,-1.3 3,-0.4 1,-0.2 -1,-0.3 0.850 102.6 55.6 -67.6 -31.9 5.5 48.0 13.1 149 71 B L H << S+ 0 0 12 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.799 114.3 37.0 -68.2 -33.8 7.0 45.0 11.4 150 72 B I H < S+ 0 0 67 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.396 84.1 127.6-101.6 -0.1 10.2 45.0 13.4 151 73 B E < - 0 0 103 -4,-0.6 5,-0.0 -3,-0.4 -3,-0.0 -0.292 69.7-103.7 -63.5 144.7 8.9 46.2 16.9 152 74 B E > - 0 0 116 1,-0.1 3,-0.9 2,-0.1 4,-0.5 -0.519 23.8-145.7 -70.8 121.0 9.9 44.0 19.8 153 75 B P G > S+ 0 0 52 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.861 94.9 56.1 -56.0 -41.4 7.0 41.9 20.8 154 76 B A G > S+ 0 0 59 1,-0.3 3,-1.3 2,-0.2 -2,-0.1 0.817 95.0 68.1 -65.5 -26.3 7.8 41.9 24.6 155 77 B S G < S+ 0 0 76 -3,-0.9 -1,-0.3 1,-0.3 -3,-0.0 0.748 99.8 50.3 -65.0 -21.3 7.8 45.6 24.6 156 78 B L G < S+ 0 0 109 -3,-1.5 -1,-0.3 -4,-0.5 2,-0.2 0.423 92.1 97.7 -92.1 -12.1 4.0 45.5 24.0 157 79 B E < - 0 0 102 -3,-1.3 2,-0.3 -4,-0.4 -3,-0.0 -0.571 49.8-169.4 -81.5 148.2 3.2 43.1 26.8 158 80 B H - 0 0 156 -2,-0.2 2,-0.4 2,-0.0 -2,-0.0 -0.993 5.6-164.8-134.8 145.7 1.9 44.0 30.2 159 81 B H + 0 0 134 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.982 13.7 162.9-137.5 122.1 1.6 41.6 33.1 160 82 B H - 0 0 165 -2,-0.4 3,-0.1 0, 0.0 -2,-0.0 -0.931 26.0-140.8-145.5 127.6 -0.3 41.9 36.4 161 83 B H - 0 0 144 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 -0.271 39.9 -94.8 -69.5 162.0 -1.4 39.4 39.0 162 84 B H 0 0 175 1,-0.1 -1,-0.1 -2,-0.0 0, 0.0 -0.588 360.0 360.0 -79.6 139.8 -4.8 39.9 40.6 163 85 B H 0 0 205 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.562 360.0 360.0 -86.0 360.0 -4.9 41.8 43.9