==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 09-FEB-07 2EBY . COMPND 2 MOLECULE: PUTATIVE HTH-TYPE TRANSCRIPTIONAL REGULATOR YBAQ; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.KARTHE,T.S.KUMAREVEL,A.EBIHARA,S.KURAMITSU,S.YOKOYAMA, . 200 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 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 . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 56.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 6.5 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 0 1 0 7 1 1 2 0 0 0 0 0 2 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 . 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 14 A K 0 0 206 0, 0.0 2,-0.2 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 111.9 -25.7 67.7 16.3 2 15 A P - 0 0 44 0, 0.0 2,-0.4 0, 0.0 65,-0.0 -0.512 360.0 -94.7 -89.6 160.1 -24.6 69.7 13.2 3 16 A T - 0 0 76 -2,-0.2 68,-0.1 1,-0.1 67,-0.1 -0.581 43.3-127.8 -73.9 127.6 -25.6 69.2 9.6 4 17 A T > - 0 0 19 -2,-0.4 4,-1.8 1,-0.1 5,-0.2 -0.246 21.2-111.2 -69.2 162.4 -23.0 67.0 7.9 5 18 A P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.856 120.5 60.6 -64.2 -30.0 -21.5 68.1 4.6 6 19 A G H > S+ 0 0 0 32,-0.4 4,-2.8 2,-0.2 5,-0.2 0.895 103.1 48.0 -61.9 -42.5 -23.5 65.3 3.1 7 20 A D H >>S+ 0 0 56 2,-0.2 4,-2.9 1,-0.2 5,-0.5 0.910 111.2 50.2 -66.1 -41.8 -26.8 66.7 4.3 8 21 A I H X5S+ 0 0 13 -4,-1.8 4,-1.6 1,-0.2 5,-0.3 0.922 113.3 47.5 -61.1 -42.7 -25.9 70.1 2.9 9 22 A L H X>S+ 0 0 0 -4,-2.4 5,-2.9 3,-0.2 4,-1.0 0.943 120.3 36.6 -63.4 -49.3 -25.0 68.5 -0.4 10 23 A L H <>S+ 0 0 38 -4,-2.8 5,-2.1 3,-0.2 -2,-0.2 0.967 126.4 33.3 -70.0 -56.0 -28.1 66.4 -0.6 11 24 A Y H <5S+ 0 0 143 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.671 129.1 33.5 -79.5 -17.3 -30.8 68.7 0.9 12 25 A E H < - 0 0 147 -2,-0.5 4,-2.7 1,-0.1 5,-0.2 -0.317 17.7-116.7 -74.3 159.0 -28.4 62.9 -9.5 21 34 A I H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.947 119.9 48.6 -56.6 -50.1 -25.7 61.2 -7.4 22 35 A N H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.846 109.6 52.9 -60.1 -37.1 -24.3 59.8 -10.7 23 36 A E H > S+ 0 0 49 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.941 111.2 44.7 -65.6 -47.0 -24.5 63.2 -12.3 24 37 A L H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.912 109.8 57.8 -62.6 -41.2 -22.5 64.9 -9.5 25 38 A A H X>S+ 0 0 4 -4,-2.7 5,-2.1 1,-0.2 4,-1.2 0.916 106.8 46.5 -55.1 -46.8 -20.1 62.0 -9.6 26 39 A E H <5S+ 0 0 155 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.808 113.6 49.8 -68.0 -28.9 -19.2 62.6 -13.2 27 40 A L H <5S+ 0 0 9 -4,-1.5 166,-0.5 1,-0.2 -2,-0.2 0.941 115.5 41.0 -72.4 -48.6 -18.9 66.3 -12.6 28 41 A L H <5S- 0 0 0 -4,-3.2 -2,-0.2 -5,-0.1 -1,-0.2 0.666 108.4-131.9 -71.4 -15.6 -16.6 65.8 -9.6 29 42 A H T <5 + 0 0 117 -4,-1.2 2,-0.3 -5,-0.3 -3,-0.2 0.885 66.2 119.2 62.9 41.5 -14.9 63.0 -11.6 30 43 A V S > - 0 0 122 -2,-0.3 4,-1.3 1,-0.1 3,-1.1 -0.393 37.3-118.4 -70.5 149.1 -16.8 57.2 -8.5 32 45 A R H 3> S+ 0 0 106 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.854 114.2 61.6 -53.8 -37.1 -20.5 57.3 -7.6 33 46 A N H 3> S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.805 97.6 55.7 -63.3 -31.0 -19.6 55.3 -4.4 34 47 A S H <> S+ 0 0 42 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.931 109.7 46.0 -66.1 -44.5 -17.4 58.2 -3.1 35 48 A V H X S+ 0 0 1 -4,-1.3 4,-2.7 1,-0.2 -2,-0.2 0.924 113.0 49.9 -62.9 -44.3 -20.3 60.6 -3.4 36 49 A S H X S+ 0 0 36 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.881 110.9 49.4 -62.6 -38.6 -22.7 58.2 -1.8 37 50 A A H <>S+ 0 0 23 -4,-2.2 5,-2.5 2,-0.2 6,-1.2 0.838 110.7 50.5 -69.5 -33.6 -20.2 57.6 1.1 38 51 A L H ><5S+ 0 0 2 -4,-2.0 3,-1.3 3,-0.2 -32,-0.4 0.956 110.5 49.2 -66.8 -49.7 -19.8 61.4 1.6 39 52 A I H 3<5S+ 0 0 14 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.841 115.1 43.4 -58.0 -37.6 -23.6 61.9 1.7 40 53 A N T 3<5S- 0 0 97 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.384 110.9-119.9 -92.4 3.9 -24.1 59.1 4.2 41 54 A N T < 5S+ 0 0 59 -3,-1.3 -3,-0.2 -4,-0.3 3,-0.1 0.810 77.6 124.1 63.9 35.2 -21.1 60.1 6.3 42 55 A N S - 0 0 42 -2,-0.7 4,-1.9 1,-0.1 5,-0.1 -0.358 22.1-109.6 -83.4 167.2 -11.4 65.2 2.6 47 60 A T H > S+ 0 0 23 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.924 119.5 49.6 -60.7 -46.4 -9.5 68.3 1.6 48 61 A E H > S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.926 109.6 50.0 -60.7 -46.3 -9.3 67.1 -2.0 49 62 A M H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.875 107.0 56.8 -60.4 -35.3 -13.0 66.4 -2.2 50 63 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.881 105.2 51.0 -62.3 -39.5 -13.6 69.9 -0.8 51 64 A F H X S+ 0 0 19 -4,-1.8 4,-1.9 -3,-0.2 -1,-0.2 0.891 110.7 49.0 -63.4 -41.2 -11.6 71.3 -3.7 52 65 A R H X S+ 0 0 12 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.923 113.1 46.0 -65.7 -44.5 -13.7 69.4 -6.2 53 66 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.903 109.3 55.3 -64.6 -42.1 -17.0 70.5 -4.6 54 67 A A H X>S+ 0 0 10 -4,-2.4 5,-1.8 -5,-0.2 4,-0.9 0.920 111.6 45.3 -55.9 -44.8 -15.8 74.1 -4.4 55 68 A K H <5S+ 0 0 71 -4,-1.9 3,-0.4 3,-0.2 -2,-0.2 0.939 114.5 46.0 -65.7 -49.3 -15.1 73.9 -8.1 56 69 A V H <5S+ 0 0 0 -4,-2.5 139,-3.2 1,-0.2 140,-0.3 0.870 124.9 30.8 -64.1 -39.3 -18.4 72.3 -9.1 57 70 A F H <5S- 0 0 18 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.367 105.5-119.6-104.6 6.9 -20.6 74.5 -7.0 58 71 A D T <5 + 0 0 149 -4,-0.9 2,-0.2 -3,-0.4 -3,-0.2 0.954 69.1 124.4 55.7 57.0 -18.6 77.7 -7.1 59 72 A T < - 0 0 37 -5,-1.8 2,-0.2 -6,-0.2 -1,-0.2 -0.635 65.9 -86.0-127.8-173.9 -17.9 78.0 -3.4 60 73 A T > - 0 0 91 -2,-0.2 4,-0.7 1,-0.1 -1,-0.1 -0.508 33.2-119.9 -90.3 167.0 -14.8 78.3 -1.2 61 74 A V H >> S+ 0 0 31 1,-0.2 4,-2.2 -2,-0.2 3,-0.6 0.893 113.8 55.3 -73.0 -38.6 -13.0 75.2 -0.1 62 75 A D H 3> S+ 0 0 76 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.757 90.4 71.6 -67.1 -25.3 -13.6 76.2 3.5 63 76 A F H 3> S+ 0 0 75 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.949 111.4 33.2 -54.0 -45.6 -17.3 76.4 3.1 64 77 A W H XX S+ 0 0 0 -4,-0.7 4,-1.6 -3,-0.6 3,-0.5 0.926 117.4 52.8 -76.7 -44.8 -17.2 72.6 2.8 65 78 A L H 3X S+ 0 0 36 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.833 103.6 58.5 -62.3 -31.6 -14.3 72.0 5.3 66 79 A N H 3X S+ 0 0 99 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.874 103.4 53.0 -65.6 -35.5 -16.0 74.0 8.0 67 80 A L H < S+ 0 0 12 -4,-1.5 3,-1.4 1,-0.2 -1,-0.2 0.915 111.5 52.8 -71.6 -42.7 -15.2 64.2 20.2 77 90 A E H 3< S+ 0 0 99 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.732 111.7 46.5 -64.2 -24.3 -17.7 66.0 22.4 78 91 A N T 3< S+ 0 0 83 -4,-1.6 2,-0.8 -5,-0.2 -1,-0.3 0.165 86.8 96.8-106.6 17.6 -20.0 63.1 22.4 79 92 A N <> - 0 0 46 -3,-1.4 4,-2.1 1,-0.2 5,-0.1 -0.914 56.4-166.2-106.9 103.9 -17.4 60.4 23.0 80 93 A M H > S+ 0 0 124 -2,-0.8 4,-2.4 1,-0.2 5,-0.3 0.829 84.7 57.4 -61.9 -35.2 -17.6 59.7 26.8 81 94 A R H > S+ 0 0 168 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.940 110.8 44.8 -61.4 -43.8 -14.3 57.8 26.9 82 95 A T H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.902 112.1 52.1 -66.4 -41.9 -12.5 60.8 25.4 83 96 A Q H X S+ 0 0 64 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.918 110.9 44.6 -62.7 -47.3 -14.3 63.3 27.7 84 97 A E H X S+ 0 0 118 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.924 115.2 51.5 -61.7 -41.3 -13.4 61.5 30.9 85 98 A E H >X S+ 0 0 40 -4,-1.8 4,-0.8 -5,-0.3 3,-0.8 0.921 108.4 49.2 -59.5 -48.4 -9.9 61.1 29.6 86 99 A L H 3< S+ 0 0 9 -4,-3.0 3,-0.4 1,-0.3 -1,-0.2 0.834 108.0 56.7 -62.3 -31.9 -9.6 64.8 28.7 87 100 A G H 3< S+ 0 0 55 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.763 106.8 48.4 -71.8 -24.9 -10.9 65.5 32.3 88 101 A R H << S+ 0 0 201 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.559 84.1 117.3 -91.8 -9.5 -8.0 63.5 33.8 89 102 A I < - 0 0 16 -4,-0.8 2,-0.4 -3,-0.4 42,-0.1 -0.390 59.4-137.7 -65.4 129.8 -5.2 65.1 31.7 90 103 A E - 0 0 51 40,-0.4 -1,-0.1 39,-0.2 -2,-0.1 -0.710 19.6-125.7 -88.3 133.8 -2.6 67.0 33.6 91 104 A T > - 0 0 32 -2,-0.4 4,-2.5 1,-0.1 68,-0.2 -0.287 17.5-117.2 -74.7 162.9 -1.5 70.3 32.2 92 105 A V H > S+ 0 0 16 67,-2.9 4,-2.7 2,-0.2 5,-0.2 0.795 114.4 58.7 -70.8 -28.5 2.2 71.1 31.5 93 106 A A H > S+ 0 0 71 66,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.916 111.1 41.5 -65.2 -44.0 2.1 74.0 34.0 94 107 A E H > S+ 0 0 107 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.955 115.3 50.4 -66.8 -52.3 1.1 71.5 36.7 95 108 A Y H X S+ 0 0 31 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.908 109.3 49.7 -53.6 -49.8 3.5 68.8 35.6 96 109 A L H X S+ 0 0 29 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.867 109.4 53.1 -60.6 -35.4 6.5 71.2 35.5 97 110 A A H X S+ 0 0 62 -4,-1.4 4,-1.1 -5,-0.2 3,-0.2 0.975 112.6 43.8 -62.7 -53.0 5.7 72.4 39.0 98 111 A R H >X S+ 0 0 143 -4,-2.5 4,-1.4 1,-0.2 3,-0.7 0.907 111.1 55.1 -57.3 -44.6 5.6 68.8 40.3 99 112 A R H 3< S+ 0 0 65 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.868 103.1 55.0 -58.4 -39.9 8.8 67.9 38.3 100 113 A E H 3< S+ 0 0 162 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.781 102.1 58.1 -66.8 -26.1 10.8 70.8 39.9 101 114 A E H << 0 0 168 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.919 360.0 360.0 -69.9 -42.6 9.9 69.5 43.4 102 115 A R < 0 0 127 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.760 360.0 360.0 -62.6 360.0 11.5 66.1 42.7 103 !* 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 0.0 104 14 B K 0 0 135 0, 0.0 3,-0.1 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 139.5 6.0 73.3 3.5 105 15 B P - 0 0 43 0, 0.0 2,-0.4 0, 0.0 65,-0.0 -0.056 360.0 -72.9 -63.7 172.7 4.1 75.4 6.1 106 16 B T - 0 0 76 4,-0.1 68,-0.2 3,-0.1 67,-0.1 -0.570 53.7-149.3 -74.6 124.2 4.7 75.0 9.9 107 17 B T > - 0 0 7 -2,-0.4 4,-2.2 -3,-0.1 5,-0.2 -0.355 27.4-109.3 -87.5 167.9 3.0 71.8 11.1 108 18 B P H > S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.881 123.1 57.0 -64.6 -32.4 1.6 71.2 14.5 109 19 B G H > S+ 0 0 1 32,-0.4 4,-2.6 2,-0.2 5,-0.2 0.914 105.0 49.2 -62.7 -43.8 4.6 69.0 15.0 110 20 B D H > S+ 0 0 43 2,-0.2 4,-2.7 1,-0.2 5,-0.5 0.956 113.7 45.7 -60.0 -51.1 7.0 71.8 14.3 111 21 B I H X S+ 0 0 13 -4,-2.2 4,-2.2 1,-0.2 5,-0.4 0.920 112.6 52.2 -57.9 -44.1 5.2 74.1 16.7 112 22 B L H X>S+ 0 0 0 -4,-2.8 5,-2.6 -5,-0.2 4,-0.8 0.928 116.8 37.0 -60.9 -46.6 5.1 71.4 19.3 113 23 B L H <>S+ 0 0 38 -4,-2.6 5,-2.5 3,-0.2 -2,-0.2 0.973 125.6 33.8 -72.5 -54.4 8.8 70.6 19.2 114 24 B Y H <5S+ 0 0 132 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.765 126.5 35.6 -76.9 -25.9 10.3 74.0 18.7 115 25 B E H <5S+ 0 0 122 -4,-2.2 -1,-0.2 -5,-0.5 -3,-0.2 0.516 133.6 13.1-108.2 -2.5 7.9 76.2 20.7 116 26 B Y T X5S+ 0 0 48 -4,-0.8 4,-2.4 -5,-0.4 6,-0.2 0.569 122.8 44.0-131.8 -63.0 7.0 73.9 23.6 117 27 B L H >XS+ 0 0 6 -5,-2.6 5,-2.7 1,-0.2 4,-0.5 0.925 119.9 38.9 -57.4 -52.4 9.2 70.8 24.0 118 28 B E H >4 - 0 0 139 -2,-0.4 4,-2.3 -3,-0.1 3,-0.4 -0.555 19.2-119.0 -87.9 154.2 10.8 65.0 26.7 124 34 B I H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.851 115.6 52.2 -55.7 -38.4 8.5 63.3 24.1 125 35 B N H > S+ 0 0 85 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.840 107.7 51.3 -69.6 -34.2 7.8 60.5 26.6 126 36 B E H > S+ 0 0 29 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.919 110.7 48.8 -68.1 -43.1 6.8 63.0 29.3 127 37 B L H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.920 107.9 54.0 -61.8 -44.8 4.4 64.7 26.8 128 38 B A H X>S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 5,-1.9 0.888 110.2 48.0 -57.5 -39.5 2.9 61.3 25.8 129 39 B E H <5S+ 0 0 144 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.925 111.9 48.3 -66.7 -46.1 2.2 60.6 29.5 130 40 B L H <5S+ 0 0 9 -4,-2.5 -40,-0.4 1,-0.2 -2,-0.2 0.919 117.3 43.2 -59.0 -42.9 0.7 64.1 30.0 131 41 B L H <5S- 0 0 1 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.745 105.8-130.3 -74.7 -25.6 -1.4 63.5 26.8 132 42 B H T <5 + 0 0 121 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.935 67.6 112.4 71.7 48.8 -2.3 59.9 27.7 133 43 B V S > - 0 0 146 -2,-0.3 3,-1.4 1,-0.1 4,-1.1 -0.453 37.3-121.0 -73.6 149.2 1.4 56.1 23.1 135 45 B R H >> S+ 0 0 141 1,-0.3 4,-2.4 2,-0.2 3,-0.6 0.894 112.5 64.2 -54.9 -41.7 4.8 57.7 22.6 136 46 B N H 3> S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.759 97.6 55.8 -55.0 -27.7 4.6 56.6 18.9 137 47 B S H <> S+ 0 0 14 -3,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.878 108.4 45.8 -75.7 -37.2 1.7 58.9 18.5 138 48 B V H S+ 0 0 16 -4,-1.6 5,-3.0 -5,-0.2 6,-1.1 0.897 110.1 49.5 -64.2 -39.1 4.6 60.6 14.4 141 51 B L H ><5S+ 0 0 9 -4,-1.5 3,-1.3 3,-0.2 -32,-0.4 0.947 112.6 47.0 -63.4 -48.5 3.0 64.0 15.0 142 52 B I H 3<5S+ 0 0 13 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.861 111.8 48.8 -63.1 -38.8 6.4 65.7 15.4 143 53 B N T 3<5S- 0 0 103 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.342 113.7-118.8 -85.1 9.3 7.9 64.0 12.4 144 54 B N T < 5S+ 0 0 68 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.811 78.7 125.9 59.0 33.9 4.9 65.1 10.4 145 55 B N < + 0 0 130 -5,-3.0 2,-0.4 1,-0.2 -4,-0.2 0.637 68.6 39.6 -94.1 -17.5 4.0 61.4 9.6 146 56 B R S S- 0 0 104 -6,-1.1 -1,-0.2 -9,-0.1 -2,-0.2 -0.994 86.3-119.2-136.4 128.5 0.5 61.5 10.9 147 57 B K - 0 0 84 -2,-0.4 2,-0.3 1,-0.1 -6,-0.1 -0.277 39.2 -98.9 -62.9 150.1 -2.0 64.3 10.5 148 58 B L - 0 0 13 19,-0.1 2,-0.2 -7,-0.1 -1,-0.1 -0.545 38.8-147.0 -71.4 128.7 -3.3 66.0 13.6 149 59 B T > - 0 0 55 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.552 22.6-115.2 -93.1 163.7 -6.7 64.7 14.6 150 60 B T H > S+ 0 0 20 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.895 117.3 52.7 -62.3 -40.3 -9.4 66.7 16.3 151 61 B E H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 108.8 47.1 -61.0 -49.2 -9.1 64.5 19.4 152 62 B M H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.796 108.1 59.0 -64.4 -28.1 -5.4 65.0 19.7 153 63 B A H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.897 104.9 48.8 -67.6 -41.4 -6.0 68.7 19.2 154 64 B F H X S+ 0 0 40 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.902 110.9 50.6 -63.6 -42.0 -8.2 68.7 22.3 155 65 B R H X S+ 0 0 10 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.931 112.2 46.3 -61.1 -46.6 -5.5 66.9 24.3 156 66 B L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.898 110.4 53.7 -63.4 -39.2 -2.9 69.4 23.2 157 67 B A H X>S+ 0 0 13 -4,-2.5 5,-1.5 2,-0.2 4,-1.1 0.913 111.2 47.4 -60.2 -42.9 -5.2 72.2 24.0 158 68 B K H ><5S+ 0 0 97 -4,-2.3 3,-0.5 2,-0.2 -2,-0.2 0.964 114.3 43.4 -62.8 -56.9 -5.6 70.7 27.5 159 69 B V H 3<5S+ 0 0 1 -4,-2.6 -67,-2.9 1,-0.2 -66,-0.5 0.917 125.8 32.2 -56.4 -48.6 -1.9 70.2 28.2 160 70 B F H 3<5S- 0 0 18 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.400 103.9-122.6 -94.6 1.4 -0.7 73.5 26.9 161 71 B D T <<5 + 0 0 143 -4,-1.1 2,-0.2 -3,-0.5 -3,-0.2 0.955 66.8 123.6 57.3 56.8 -3.8 75.6 27.7 162 72 B T < - 0 0 41 -5,-1.5 -1,-0.2 -6,-0.1 2,-0.1 -0.734 67.5 -85.1-130.4-179.7 -4.6 76.9 24.2 163 73 B T > - 0 0 81 -2,-0.2 4,-0.7 1,-0.1 -1,-0.1 -0.460 30.0-124.6 -83.9 164.6 -7.7 76.7 22.1 164 74 B V H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.841 110.7 65.3 -75.8 -32.5 -8.3 73.6 20.0 165 75 B D H > S+ 0 0 92 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.868 91.2 62.6 -55.3 -43.2 -8.6 76.0 17.1 166 76 B F H > S+ 0 0 69 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.920 109.9 38.2 -51.2 -50.3 -5.0 77.0 17.4 167 77 B W H X S+ 0 0 0 -4,-0.7 4,-1.6 -3,-0.4 3,-0.3 0.908 115.5 52.6 -70.9 -41.0 -3.8 73.4 16.7 168 78 B L H X S+ 0 0 37 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.861 105.0 55.5 -63.3 -36.3 -6.4 72.7 14.0 169 79 B N H X S+ 0 0 107 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.840 103.4 54.2 -68.0 -32.1 -5.6 75.8 12.0 170 80 B L H X S+ 0 0 33 -4,-1.0 4,-1.5 -5,-0.3 -1,-0.2 0.933 112.5 44.6 -66.4 -41.3 -2.0 74.8 11.7 171 81 B Q H X S+ 0 0 16 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.907 109.8 55.9 -68.0 -40.4 -3.1 71.4 10.3 172 82 B A H X S+ 0 0 43 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.892 106.4 50.0 -58.0 -43.1 -5.7 73.1 8.0 173 83 B A H X S+ 0 0 50 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.897 111.7 48.1 -65.6 -39.3 -3.0 75.3 6.4 174 84 B V H X S+ 0 0 4 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.940 109.3 53.8 -65.0 -46.4 -0.7 72.3 5.8 175 85 B D H X S+ 0 0 27 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.905 110.7 45.3 -54.1 -47.2 -3.6 70.3 4.3 176 86 B L H X S+ 0 0 48 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.915 110.9 54.7 -64.5 -41.3 -4.5 73.0 1.7 177 87 B W H X S+ 0 0 91 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.902 105.5 53.0 -58.0 -43.4 -0.8 73.4 0.9 178 88 B E H < S+ 0 0 66 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.903 112.1 43.8 -62.0 -41.6 -0.5 69.7 0.1 179 89 B V H >< S+ 0 0 16 -4,-1.7 3,-1.1 1,-0.2 -1,-0.2 0.882 111.0 54.1 -71.9 -36.8 -3.4 69.8 -2.3 180 90 B E H 3< S+ 0 0 108 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.843 111.4 47.4 -64.4 -31.6 -2.3 73.0 -4.0 181 91 B N T 3< S+ 0 0 100 -4,-1.8 2,-1.0 -5,-0.2 -1,-0.2 0.397 85.5 95.3 -92.5 3.4 1.1 71.4 -4.6 182 92 B N <> - 0 0 75 -3,-1.1 4,-2.3 -4,-0.3 5,-0.2 -0.810 55.2-170.3 -94.7 99.6 -0.1 68.1 -6.0 183 93 B M H > S+ 0 0 121 -2,-1.0 4,-2.8 1,-0.2 5,-0.2 0.871 82.9 57.2 -59.9 -38.1 0.0 68.8 -9.8 184 94 B R H > S+ 0 0 211 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.945 110.8 44.2 -59.2 -44.9 -1.9 65.6 -10.7 185 95 B T H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 112.2 52.8 -66.6 -39.2 -4.8 66.8 -8.5 186 96 B Q H X S+ 0 0 51 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.918 106.3 51.9 -62.7 -44.5 -4.6 70.3 -9.9 187 97 B E H X S+ 0 0 99 -4,-2.8 4,-1.0 1,-0.2 3,-0.2 0.911 110.4 50.6 -58.8 -39.3 -4.7 69.2 -13.5 188 98 B E H >< S+ 0 0 44 -4,-1.6 3,-0.5 1,-0.2 4,-0.4 0.896 107.0 51.3 -66.0 -40.8 -7.8 67.2 -12.5 189 99 B L H 3< S+ 0 0 15 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.741 102.5 67.3 -67.5 -20.1 -9.5 70.2 -10.9 190 100 B G H 3< S+ 0 0 53 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.867 104.1 37.9 -68.3 -39.8 -8.7 71.9 -14.1 191 101 B R S << S+ 0 0 180 -4,-1.0 2,-0.3 -3,-0.5 -1,-0.2 0.326 84.7 123.7 -96.6 10.3 -11.1 69.9 -16.3 192 102 B I - 0 0 10 -3,-0.5 2,-0.4 -4,-0.4 -164,-0.1 -0.553 57.3-138.1 -72.2 130.2 -13.9 69.6 -13.7 193 103 B E - 0 0 82 -166,-0.5 2,-0.1 -2,-0.3 -2,-0.1 -0.724 18.4-125.3 -89.6 137.6 -17.1 71.0 -15.2 194 104 B T > - 0 0 25 -2,-0.4 4,-1.8 1,-0.1 -138,-0.2 -0.456 22.1-109.1 -85.1 157.1 -19.2 73.2 -12.8 195 105 B V H > S+ 0 0 35 -139,-3.2 4,-1.6 1,-0.2 5,-0.1 0.621 116.8 62.5 -56.9 -11.9 -22.9 72.6 -11.9 196 106 B A H > S+ 0 0 58 -140,-0.3 4,-1.7 2,-0.2 5,-0.2 0.979 103.0 40.7 -76.9 -70.3 -23.5 75.7 -14.1 197 107 B E H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.793 121.4 50.1 -48.3 -30.2 -22.3 74.6 -17.5 198 108 B Y H < S+ 0 0 70 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.994 104.5 48.1 -73.9 -70.9 -24.0 71.3 -16.7 199 109 B L H < S+ 0 0 75 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.753 117.2 50.3 -41.7 -28.2 -27.5 72.1 -15.5 200 110 B A H < 0 0 87 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.988 360.0 360.0 -75.8 -66.0 -27.6 74.4 -18.6 201 111 B R < 0 0 121 -4,-1.8 -3,-0.1 -5,-0.2 -4,-0.0 0.528 360.0 360.0 -67.3 360.0 -26.4 71.9 -21.3