==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REPRESSOR 25-SEP-03 1R1V . COMPND 2 MOLECULE: REPRESSOR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR C.EICKEN,M.A.PENNELLA,X.CHEN,K.M.KOSHLAP,M.L.VANZILE,J.C.SAC . 191 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 72.8 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 . 16 8.4 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 . 1 0.5 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 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 53.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 2 0 0 0 2 3 2 1 0 0 0 0 0 0 0 0 0 0 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 . 2 0 0 1 0 1 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 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 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 9 A N > 0 0 128 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-171.3 12.1 65.1 47.9 2 10 A T H > + 0 0 98 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.922 360.0 47.9 -62.1 -48.5 12.6 65.6 51.7 3 11 A D H > S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.850 108.2 56.3 -64.1 -34.3 15.5 63.2 52.0 4 12 A T H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 106.3 49.4 -63.9 -44.1 17.2 64.8 49.0 5 13 A L H X S+ 0 0 112 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.835 107.5 54.9 -66.7 -30.3 17.1 68.2 50.6 6 14 A E H X S+ 0 0 108 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.909 107.4 51.3 -67.1 -40.2 18.6 66.8 53.8 7 15 A R H X S+ 0 0 147 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.903 109.0 48.7 -63.9 -42.1 21.5 65.4 51.8 8 16 A V H X S+ 0 0 51 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.825 107.3 56.7 -67.5 -29.4 22.2 68.8 50.1 9 17 A T H X S+ 0 0 54 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.937 106.2 51.1 -63.1 -43.9 22.0 70.4 53.6 10 18 A E H X S+ 0 0 93 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.935 109.1 50.3 -55.7 -51.9 24.8 67.9 54.5 11 19 A I H X S+ 0 0 45 -4,-2.1 4,-1.0 1,-0.2 3,-0.5 0.935 113.7 43.4 -53.9 -52.7 26.8 69.0 51.5 12 20 A F H X S+ 0 0 126 -4,-2.5 4,-1.3 1,-0.2 3,-0.4 0.864 108.5 57.6 -66.0 -35.8 26.6 72.7 52.3 13 21 A K H < S+ 0 0 149 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.817 106.5 51.8 -64.3 -26.7 27.2 72.3 56.0 14 22 A A H < S+ 0 0 5 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.743 109.3 48.1 -79.5 -25.3 30.5 70.6 55.0 15 23 A L H < S+ 0 0 22 -4,-1.0 2,-2.3 -3,-0.4 -2,-0.2 0.649 87.3 91.4 -87.4 -16.9 31.5 73.5 52.7 16 24 A G < + 0 0 67 -4,-1.3 2,-0.3 -5,-0.2 -1,-0.2 -0.261 68.7 92.0 -76.6 54.8 30.7 76.0 55.4 17 25 A D S > S- 0 0 25 -2,-2.3 4,-2.3 1,-0.1 5,-0.2 -0.962 72.1-137.1-150.6 128.5 34.2 76.0 56.8 18 26 A Y H > S+ 0 0 134 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.910 105.0 41.9 -52.0 -51.3 37.1 78.3 55.9 19 27 A N H > S+ 0 0 8 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.815 112.4 52.8 -70.6 -30.1 39.7 75.5 55.8 20 28 A R H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.857 109.4 51.6 -72.3 -30.8 37.5 73.0 54.0 21 29 A I H X S+ 0 0 50 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.903 108.1 50.7 -69.2 -40.9 36.9 75.7 51.4 22 30 A R H X S+ 0 0 63 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.863 111.7 48.7 -65.0 -33.6 40.7 76.2 51.1 23 31 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.921 113.7 45.6 -71.0 -43.4 41.1 72.5 50.6 24 32 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.940 112.0 51.5 -63.5 -47.1 38.3 72.4 48.0 25 33 A E H X S+ 0 0 83 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.913 111.2 47.6 -56.4 -46.0 39.6 75.4 46.2 26 34 A L H >X S+ 0 0 5 -4,-1.9 4,-2.2 1,-0.2 3,-1.1 0.917 111.6 50.6 -63.1 -42.3 43.1 73.9 46.0 27 35 A L H 3< S+ 0 0 7 -4,-2.2 47,-0.4 1,-0.3 -1,-0.2 0.812 101.8 62.2 -64.7 -30.0 41.6 70.6 44.7 28 36 A S H 3< S+ 0 0 27 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.686 109.4 42.4 -69.6 -17.4 39.7 72.5 42.1 29 37 A V H << S- 0 0 107 -3,-1.1 2,-0.3 -4,-0.6 -2,-0.2 0.867 133.7 -8.3 -92.3 -46.4 43.0 73.6 40.6 30 38 A S < - 0 0 61 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.1 -0.974 67.4-113.0-157.0 137.6 44.9 70.3 40.9 31 39 A E + 0 0 105 -2,-0.3 2,-0.3 -3,-0.1 42,-0.2 -0.228 50.2 167.7 -60.5 159.6 44.3 66.8 42.4 32 40 A A B -A 72 0A 8 40,-2.3 40,-3.1 4,-0.0 2,-0.1 -0.998 34.1-101.1-170.7 167.5 46.7 66.1 45.3 33 41 A S > - 0 0 30 -2,-0.3 4,-2.6 38,-0.2 5,-0.2 -0.427 42.4-104.3 -91.6 168.3 47.9 64.1 48.3 34 42 A V H > S+ 0 0 22 36,-0.4 4,-2.9 1,-0.2 5,-0.2 0.889 120.6 52.8 -59.6 -41.4 47.5 64.9 52.0 35 43 A G H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 110.6 46.2 -62.2 -43.9 51.1 66.0 52.3 36 44 A H H > S+ 0 0 79 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.956 114.9 46.5 -63.4 -49.8 50.8 68.4 49.4 37 45 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.925 114.8 48.1 -57.6 -45.6 47.5 69.8 50.7 38 46 A S H X>S+ 0 0 19 -4,-2.9 5,-1.5 -5,-0.2 4,-0.9 0.867 114.8 45.6 -63.5 -39.5 49.0 70.1 54.2 39 47 A H H <5S+ 0 0 152 -4,-2.4 3,-0.4 -5,-0.2 -2,-0.2 0.965 114.4 44.3 -70.1 -54.1 52.2 71.8 52.9 40 48 A Q H <5S+ 0 0 105 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.886 123.4 36.0 -58.9 -42.3 50.6 74.3 50.6 41 49 A L H <5S- 0 0 15 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.500 103.8-124.0 -92.7 -6.0 47.9 75.4 53.0 42 50 A N T <5 + 0 0 91 -4,-0.9 101,-0.4 -3,-0.4 2,-0.3 0.956 66.0 131.2 60.7 52.2 49.9 75.1 56.2 43 51 A L < - 0 0 3 -5,-1.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.955 63.1-102.6-129.0 145.2 47.5 72.7 57.9 44 52 A S > - 0 0 25 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.367 25.9-118.5 -71.3 151.2 48.8 69.5 59.6 45 53 A Q H > S+ 0 0 117 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.863 114.8 53.9 -56.6 -36.1 48.3 66.2 57.8 46 54 A S H > S+ 0 0 62 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 111.4 44.1 -66.8 -41.8 46.1 64.9 60.6 47 55 A N H > S+ 0 0 3 91,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.925 114.5 50.2 -67.2 -43.8 43.8 67.9 60.4 48 56 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.926 110.8 49.2 -59.4 -44.9 43.8 67.6 56.6 49 57 A S H X S+ 0 0 52 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.879 109.7 52.6 -61.8 -39.1 43.0 63.9 56.8 50 58 A H H X S+ 0 0 67 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.888 111.8 45.1 -64.0 -41.5 40.2 64.6 59.2 51 59 A Q H X S+ 0 0 9 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.915 111.7 51.5 -70.8 -42.1 38.6 67.2 56.9 52 60 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.856 104.6 57.8 -62.2 -36.5 38.9 65.1 53.8 53 61 A K H X S+ 0 0 145 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.925 111.1 42.8 -59.1 -44.9 37.2 62.2 55.6 54 62 A L H X S+ 0 0 68 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.964 114.1 50.3 -66.3 -51.3 34.2 64.4 56.2 55 63 A L H <>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 6,-0.8 0.876 112.0 49.6 -55.2 -37.3 34.3 65.9 52.7 56 64 A K H ><5S+ 0 0 85 -4,-3.0 3,-2.3 1,-0.2 -1,-0.2 0.897 100.9 61.7 -70.2 -40.0 34.5 62.3 51.3 57 65 A S H 3<5S+ 0 0 79 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.734 108.5 43.6 -60.0 -24.2 31.5 61.0 53.3 58 66 A V T 3<5S- 0 0 24 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.158 119.3-112.0-105.3 16.8 29.2 63.6 51.6 59 67 A H T < 5S+ 0 0 131 -3,-2.3 -3,-0.2 2,-0.2 17,-0.2 0.783 81.7 124.5 59.7 34.8 30.8 62.8 48.2 60 68 A L S -B 69 0A 95 3,-2.2 2,-1.0 -2,-0.5 3,-0.5 -0.868 64.7 -36.7-132.4 100.2 48.5 56.1 42.9 67 75 A G T 3 S- 0 0 75 -2,-0.4 -2,-0.1 1,-0.2 3,-0.1 -0.793 124.7 -24.4 93.0-102.8 51.9 54.6 43.8 68 76 A Q T 3 S+ 0 0 198 -2,-1.0 -1,-0.2 1,-0.1 2,-0.1 0.770 124.4 52.6-111.6 -47.6 52.2 54.9 47.6 69 77 A S E < S- B 0 66A 60 -3,-0.5 -3,-2.2 1,-0.1 2,-0.3 -0.465 83.4-103.7 -95.0 164.4 49.8 57.7 48.7 70 78 A M E - B 0 65A 73 -5,-0.2 2,-0.6 -2,-0.1 -36,-0.4 -0.663 29.3-144.8 -84.4 136.4 46.1 58.5 48.0 71 79 A I E - B 0 64A 25 -7,-3.4 -7,-2.0 -2,-0.3 2,-0.2 -0.926 15.3-154.9-107.8 121.2 45.4 61.2 45.5 72 80 A Y E +AB 32 63A 23 -40,-3.1 -40,-2.3 -2,-0.6 2,-0.3 -0.629 20.3 159.0 -95.7 152.2 42.4 63.4 46.3 73 81 A S E - B 0 62A 22 -11,-1.9 -11,-2.5 -2,-0.2 -45,-0.1 -0.960 50.6 -71.9-159.2 167.1 40.2 65.3 43.8 74 82 A L E - B 0 61A 18 -47,-0.4 -13,-0.3 -2,-0.3 -14,-0.1 -0.458 50.6-119.7 -64.1 142.9 36.8 66.9 43.6 75 83 A D S S- 0 0 44 -15,-2.1 2,-0.2 1,-0.1 -14,-0.1 0.954 74.6 -35.6 -49.5 -61.7 34.3 64.0 43.2 76 84 A D S >> S- 0 0 59 -16,-0.2 4,-1.8 -17,-0.2 3,-0.6 -0.845 72.2 -71.0-151.3-173.3 32.9 65.1 39.9 77 85 A I H 3> S+ 0 0 114 -2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.811 121.3 60.5 -57.8 -36.4 32.0 68.0 37.5 78 86 A H H 3> S+ 0 0 135 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 106.6 46.8 -60.8 -39.8 28.9 69.0 39.6 79 87 A V H <> S+ 0 0 11 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.922 113.7 47.9 -68.4 -43.8 31.1 69.6 42.6 80 88 A A H X S+ 0 0 17 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.919 114.8 44.8 -63.2 -46.9 33.6 71.6 40.5 81 89 A T H X S+ 0 0 69 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.940 112.7 52.4 -61.8 -49.4 30.9 73.7 38.8 82 90 A M H X S+ 0 0 55 -4,-2.4 4,-1.5 -5,-0.3 -2,-0.2 0.916 114.7 41.7 -52.3 -49.6 29.2 74.3 42.2 83 91 A L H X S+ 0 0 8 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.932 115.4 47.7 -66.7 -49.7 32.4 75.5 43.8 84 92 A K H X S+ 0 0 111 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.853 110.3 52.6 -62.9 -36.9 33.6 77.7 40.9 85 93 A Q H X S+ 0 0 127 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.905 111.9 46.8 -65.5 -39.6 30.3 79.3 40.4 86 94 A A H X S+ 0 0 58 -4,-1.5 4,-1.8 -5,-0.3 -2,-0.2 0.917 110.1 51.6 -68.3 -44.3 30.2 80.2 44.2 87 95 A I H X S+ 0 0 65 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.931 113.6 45.5 -56.3 -48.7 33.8 81.6 44.2 88 96 A H H X S+ 0 0 117 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.888 109.0 54.8 -62.5 -42.8 33.0 83.8 41.2 89 97 A H H < S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.833 107.1 52.4 -61.9 -32.2 29.7 85.0 42.7 90 98 A A H < S+ 0 0 69 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.843 114.8 41.1 -72.3 -34.4 31.6 86.0 45.8 91 99 A N H < S+ 0 0 136 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.1 0.822 90.9 90.6 -86.5 -35.6 34.1 88.1 43.8 92 100 A H S < S- 0 0 59 -4,-2.4 2,-0.1 1,-0.1 0, 0.0 -0.194 91.5 -82.6 -63.5 156.8 32.1 89.9 41.1 93 101 A P - 0 0 110 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.380 46.5-177.0 -61.9 130.7 30.7 93.4 41.8 94 102 A K 0 0 114 -2,-0.1 -5,-0.0 -3,-0.1 -4,-0.0 -0.929 360.0 360.0-134.9 107.9 27.4 93.4 43.6 95 103 A E 0 0 218 -2,-0.4 0, 0.0 0, 0.0 0, 0.0 -0.461 360.0 360.0 -90.8 360.0 25.7 96.8 44.3 96 !* 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 97 9 B N > 0 0 129 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 136.5 16.6 89.9 74.7 98 10 B T H > + 0 0 98 1,-0.3 4,-1.0 2,-0.2 3,-0.3 0.912 360.0 37.5 -46.8 -55.0 16.4 89.3 71.0 99 11 B D H > S+ 0 0 87 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.698 106.0 67.3 -74.6 -19.4 20.0 90.1 70.3 100 12 B T H > S+ 0 0 55 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.907 106.0 44.3 -64.3 -37.5 21.1 88.5 73.6 101 13 B L H X S+ 0 0 113 -4,-1.9 4,-1.8 -3,-0.3 -2,-0.2 0.795 109.1 55.8 -75.0 -29.7 20.0 85.3 71.8 102 14 B E H X S+ 0 0 106 -4,-1.0 4,-2.0 -5,-0.2 -2,-0.2 0.927 108.7 47.8 -67.5 -43.7 21.7 86.3 68.6 103 15 B R H X S+ 0 0 155 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.890 112.0 49.6 -62.9 -39.6 25.0 86.7 70.5 104 16 B V H X S+ 0 0 50 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.828 105.7 57.4 -68.2 -32.1 24.4 83.3 72.1 105 17 B T H X S+ 0 0 53 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.935 107.2 47.8 -62.2 -45.5 23.7 81.8 68.7 106 18 B E H X S+ 0 0 100 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.853 107.6 57.4 -63.6 -35.9 27.2 83.0 67.6 107 19 B I H X S+ 0 0 44 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.948 111.9 39.0 -60.4 -50.9 28.7 81.5 70.7 108 20 B F H X S+ 0 0 119 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.769 111.4 59.9 -71.5 -24.1 27.4 78.1 70.0 109 21 B K H >< S+ 0 0 123 -4,-1.8 3,-0.7 -5,-0.2 -1,-0.2 0.919 105.1 49.6 -66.2 -43.2 28.2 78.6 66.3 110 22 B A H 3< S+ 0 0 4 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.801 111.3 48.7 -64.9 -31.7 31.8 79.1 67.4 111 23 B L H 3< S+ 0 0 20 -4,-1.2 2,-2.1 1,-0.2 -1,-0.2 0.529 82.9 95.6 -88.2 -8.0 31.8 75.9 69.4 112 24 B G << + 0 0 61 -3,-0.7 2,-0.3 -4,-0.7 -1,-0.2 -0.356 68.1 91.3 -82.1 60.9 30.3 73.8 66.7 113 25 B D S > S- 0 0 22 -2,-2.1 4,-2.1 1,-0.1 5,-0.2 -0.957 71.1-137.1-156.3 133.2 33.7 72.5 65.5 114 26 B Y H > S+ 0 0 132 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.931 105.1 40.0 -56.4 -52.6 35.8 69.5 66.4 115 27 B N H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.833 113.0 54.1 -69.4 -34.6 39.2 71.3 66.6 116 28 B R H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.890 110.1 48.9 -67.5 -34.8 37.9 74.4 68.2 117 29 B I H X S+ 0 0 70 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.898 108.5 52.3 -70.6 -40.2 36.4 72.2 71.0 118 30 B R H X S+ 0 0 56 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.910 111.3 48.2 -61.1 -39.9 39.7 70.4 71.4 119 31 B I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.925 112.6 47.0 -64.8 -45.5 41.4 73.7 71.8 120 32 B M H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.904 111.3 53.2 -61.4 -42.0 38.8 74.9 74.3 121 33 B E H X S+ 0 0 82 -4,-3.0 4,-0.7 2,-0.2 -1,-0.2 0.908 109.0 48.1 -59.2 -44.8 39.2 71.6 76.1 122 34 B L H >X S+ 0 0 18 -4,-2.3 4,-1.6 1,-0.2 3,-1.3 0.935 109.9 52.1 -63.4 -45.8 42.9 72.1 76.3 123 35 B L H 3< S+ 0 0 7 -4,-2.5 47,-0.4 1,-0.3 -1,-0.2 0.823 99.9 64.1 -60.5 -31.2 42.5 75.6 77.7 124 36 B S H 3< S+ 0 0 27 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.785 103.5 48.3 -64.5 -25.4 40.1 74.3 80.3 125 37 B V H << S- 0 0 108 -3,-1.3 2,-0.3 -4,-0.7 -2,-0.2 0.920 133.7 -28.0 -79.0 -46.6 43.1 72.3 81.8 126 38 B S < - 0 0 64 -4,-1.6 -1,-0.3 2,-0.0 -2,-0.1 -0.941 68.2 -93.3-169.2 147.3 45.4 75.3 81.8 127 39 B E + 0 0 100 -2,-0.3 2,-0.3 -3,-0.1 42,-0.2 -0.141 51.8 173.9 -56.4 160.0 46.1 78.5 79.9 128 40 B A B -C 168 0B 8 40,-2.1 40,-2.9 4,-0.0 2,-0.1 -0.993 29.8-103.6-166.9 163.9 48.7 78.2 77.1 129 41 B S > - 0 0 40 -2,-0.3 4,-2.2 38,-0.2 5,-0.2 -0.447 41.0-104.1 -91.0 166.4 50.4 79.9 74.2 130 42 B V H > S+ 0 0 28 36,-0.4 4,-2.1 1,-0.2 5,-0.1 0.839 120.7 54.3 -57.8 -33.3 49.7 79.4 70.5 131 43 B G H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 108.8 44.0 -68.6 -48.0 52.8 77.2 70.3 132 44 B H H > S+ 0 0 81 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.871 114.0 50.7 -66.2 -38.4 52.0 74.8 73.0 133 45 B I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.973 111.6 49.0 -61.5 -52.6 48.4 74.4 71.8 134 46 B S H X>S+ 0 0 16 -4,-2.1 5,-2.4 -5,-0.2 4,-0.9 0.863 115.0 44.1 -52.6 -44.2 49.6 73.8 68.3 135 47 B H H <5S+ 0 0 136 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.895 114.6 46.4 -71.6 -43.9 52.1 71.1 69.4 136 48 B Q H <5S+ 0 0 110 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.852 121.6 36.7 -70.1 -34.6 49.9 69.3 71.9 137 49 B L H <5S- 0 0 18 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.563 107.0-121.7 -94.7 -9.3 46.9 69.1 69.5 138 50 B N T <5 + 0 0 100 -4,-0.9 2,-0.3 -5,-0.3 -91,-0.3 0.980 66.1 131.5 65.8 58.1 49.0 68.6 66.3 139 51 B L < - 0 0 4 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.989 64.4 -96.7-138.8 144.5 47.7 71.7 64.5 140 52 B S > - 0 0 15 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.280 29.1-125.1 -61.6 146.4 49.6 74.4 62.6 141 53 B Q H > S+ 0 0 119 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.881 112.2 56.3 -58.9 -36.5 50.2 77.5 64.7 142 54 B S H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 106.9 46.0 -61.5 -48.3 48.6 79.4 61.9 143 55 B N H > S+ 0 0 4 -101,-0.4 4,-2.4 1,-0.2 5,-0.2 0.945 112.9 52.7 -60.0 -47.4 45.4 77.4 62.0 144 56 B V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.894 108.8 48.1 -55.1 -45.7 45.4 77.8 65.8 145 57 B S H X S+ 0 0 55 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.924 110.9 52.0 -61.7 -44.8 45.8 81.6 65.7 146 58 B H H X S+ 0 0 75 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.899 112.2 45.1 -58.0 -44.9 43.0 81.8 63.1 147 59 B Q H X S+ 0 0 10 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.861 110.8 53.2 -69.9 -36.6 40.7 79.7 65.4 148 60 B L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.832 103.5 57.9 -67.3 -32.2 41.6 81.7 68.5 149 61 B K H X S+ 0 0 158 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.905 111.6 41.6 -63.9 -41.5 40.7 84.9 66.7 150 62 B L H X S+ 0 0 65 -4,-1.3 4,-1.2 2,-0.2 3,-0.3 0.969 114.2 50.1 -69.2 -53.9 37.2 83.6 66.1 151 63 B L H <>S+ 0 0 0 -4,-2.8 5,-3.2 1,-0.2 6,-0.7 0.816 114.3 48.0 -53.1 -32.1 36.9 82.1 69.6 152 64 B K H ><5S+ 0 0 87 -4,-2.0 3,-2.0 4,-0.2 -1,-0.2 0.832 100.0 62.4 -80.5 -34.5 38.0 85.5 71.0 153 65 B S H 3<5S+ 0 0 79 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.774 108.6 44.6 -63.5 -24.7 35.7 87.7 68.9 154 66 B V T 3<5S- 0 0 26 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.180 121.3-112.5-101.4 12.8 32.8 86.0 70.7 155 67 B H T < 5S+ 0 0 133 -3,-2.0 -3,-0.2 -5,-0.1 17,-0.1 0.820 79.0 130.3 60.8 36.1 34.6 86.3 74.0 156 68 B L S S- 0 0 110 -2,-0.3 2,-1.1 1,-0.2 3,-0.7 -0.378 70.4 -11.8 -59.0 115.0 52.2 87.0 80.5 163 75 B G T 3 S- 0 0 66 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 -0.657 127.2 -49.2 99.0 -80.6 56.0 86.8 80.1 164 76 B Q T 3 S+ 0 0 161 -2,-1.1 -1,-0.2 1,-0.0 2,-0.1 0.224 124.4 43.3-167.3 -14.2 56.7 88.6 76.8 165 77 B S S < S- 0 0 54 -3,-0.7 2,-0.4 -5,-0.1 -1,-0.0 -0.294 97.2 -63.4-120.5-154.4 54.2 87.0 74.4 166 78 B M - 0 0 90 -5,-0.2 2,-0.5 -2,-0.1 -36,-0.4 -0.831 33.9-165.7-107.7 140.5 50.5 86.1 74.6 167 79 B I E - D 0 160B 29 -7,-2.0 -7,-2.0 -2,-0.4 2,-0.3 -0.991 14.4-149.2-123.6 124.6 48.9 83.5 76.9 168 80 B Y E +CD 128 159B 35 -40,-2.9 -40,-2.1 -2,-0.5 2,-0.3 -0.686 20.8 166.1 -97.3 148.6 45.3 82.3 76.1 169 81 B S E - D 0 158B 14 -11,-2.2 -11,-2.5 -2,-0.3 2,-0.2 -0.968 48.7 -79.4-151.8 161.5 42.7 81.2 78.6 170 82 B L E - D 0 157B 17 -47,-0.4 -13,-0.3 -2,-0.3 -14,-0.1 -0.490 52.3-119.0 -62.8 133.3 38.9 80.5 78.7 171 83 B D S S- 0 0 42 -15,-1.8 2,-0.3 -2,-0.2 -14,-0.1 0.893 72.7 -35.8 -44.3 -56.9 37.4 83.9 79.0 172 84 B D S >> S- 0 0 61 -16,-0.2 4,-2.1 -17,-0.1 3,-0.8 -0.917 71.3 -70.4-157.6-176.2 35.7 83.3 82.4 173 85 B I H 3> S+ 0 0 110 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.786 121.1 59.8 -52.8 -35.9 33.9 81.0 84.7 174 86 B H H 3> S+ 0 0 131 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 108.8 43.6 -63.4 -39.9 30.7 81.0 82.6 175 87 B V H <> S+ 0 0 12 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.914 114.2 50.5 -70.5 -44.6 32.6 79.6 79.6 176 88 B A H X S+ 0 0 16 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.950 114.6 43.0 -57.2 -52.4 34.5 77.1 81.8 177 89 B T H X S+ 0 0 68 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.903 113.2 52.9 -60.8 -45.4 31.3 75.8 83.4 178 90 B M H X S+ 0 0 54 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.937 112.9 44.0 -56.7 -49.4 29.4 75.8 80.1 179 91 B L H X S+ 0 0 12 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.940 115.1 45.7 -63.8 -51.4 32.2 73.7 78.5 180 92 B K H X S+ 0 0 103 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.849 110.3 54.3 -64.2 -35.3 32.7 71.2 81.3 181 93 B Q H X S+ 0 0 127 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.909 111.4 45.7 -64.9 -39.9 28.9 70.7 81.8 182 94 B A H X S+ 0 0 58 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.920 111.3 50.6 -69.1 -44.5 28.5 69.8 78.1 183 95 B I H < S+ 0 0 59 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.915 114.0 46.1 -59.6 -42.2 31.5 67.4 78.0 184 96 B H H >X S+ 0 0 117 -4,-2.1 4,-2.2 -5,-0.2 3,-0.8 0.880 111.6 51.7 -67.8 -38.3 30.2 65.6 81.0 185 97 B H H 3< S+ 0 0 117 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.924 108.1 50.5 -64.1 -45.4 26.6 65.5 79.6 186 98 B A T 3< S+ 0 0 78 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.527 115.5 48.5 -70.1 -3.7 27.9 64.0 76.3 187 99 B N T <4 S+ 0 0 132 -3,-0.8 -2,-0.2 -4,-0.2 -1,-0.2 0.826 88.6 81.4-106.1 -43.5 29.7 61.4 78.5 188 100 B H S < S- 0 0 69 -4,-2.2 0, 0.0 1,-0.1 0, 0.0 -0.172 86.5 -89.5 -66.2 161.7 27.4 60.0 81.1 189 101 B P - 0 0 113 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.010 36.9-136.0 -61.4 174.8 24.9 57.1 80.3 190 102 B K + 0 0 137 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.987 39.5 135.2-143.5 129.5 21.4 57.7 79.1 191 103 B E 0 0 191 -2,-0.4 -1,-0.1 1,-0.0 0, 0.0 0.470 360.0 360.0-129.5 -83.6 18.1 56.0 80.1 192 104 B S 0 0 178 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.423 360.0 360.0 92.7 360.0 14.9 58.0 80.7