==== 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 REGULATOR 22-SEP-08 3ELK . COMPND 2 MOLECULE: PUTATIVE TRANSCRIPTIONAL REGULATOR TA0346; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR K.GRANTZ SASKOVA,M.CHRUSZCZ,E.EVDOKIMOVA,O.EGOROVA,A.SAVCHEN . 206 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 74.3 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 . 21 10.2 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 1.0 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 . 16 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 52.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 0 0 0 0 0 2 0 1 4 0 0 0 0 3 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 . 1 1 0 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 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 7 A R 0 0 153 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 8.5 22.6 10.4 100.5 2 8 A E > - 0 0 109 1,-0.1 4,-2.7 0, 0.0 5,-0.2 -0.991 360.0-130.5-125.4 133.9 21.3 8.1 103.2 3 9 A R H > S+ 0 0 214 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.842 102.0 45.5 -58.6 -46.5 22.2 4.4 103.2 4 10 A I H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.952 118.1 45.3 -64.9 -43.9 18.9 2.7 103.5 5 11 A L H > S+ 0 0 97 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.892 109.0 55.8 -64.1 -40.6 17.4 4.9 100.8 6 12 A H H X S+ 0 0 77 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.928 109.8 47.8 -62.4 -37.5 20.4 4.5 98.6 7 13 A G H X S+ 0 0 33 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.936 112.5 46.7 -65.6 -44.3 19.9 0.8 98.8 8 14 A L H X S+ 0 0 67 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.863 111.2 50.8 -68.0 -42.6 16.2 0.9 98.0 9 15 A I H X S+ 0 0 30 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.895 107.5 55.4 -64.3 -40.6 16.6 3.3 95.1 10 16 A T H X S+ 0 0 9 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.961 109.3 47.1 -53.8 -48.9 19.3 1.0 93.6 11 17 A L H X S+ 0 0 19 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.891 109.2 53.1 -60.4 -45.7 16.8 -1.8 93.8 12 18 A Y H X S+ 0 0 30 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.943 110.5 48.4 -56.3 -47.0 14.1 0.2 92.2 13 19 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.932 111.4 49.7 -57.8 -53.5 16.4 1.1 89.3 14 20 A L H X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.948 109.7 50.7 -52.3 -44.1 17.4 -2.5 88.9 15 21 A K H X S+ 0 0 80 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.877 111.0 48.8 -65.1 -38.5 13.8 -3.6 88.8 16 22 A E H >X S+ 0 0 14 -4,-2.1 4,-1.3 1,-0.2 3,-1.0 0.914 108.6 53.7 -65.8 -42.2 12.9 -1.0 86.1 17 23 A L H 3< S+ 0 0 6 -4,-2.6 58,-0.4 1,-0.3 -2,-0.2 0.770 96.2 66.1 -69.8 -24.1 15.8 -2.0 84.0 18 24 A V H 3< S+ 0 0 75 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.821 100.7 53.6 -61.8 -30.5 14.6 -5.6 84.1 19 25 A K H << S- 0 0 131 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.954 132.5 -43.6 -67.9 -54.8 11.7 -4.3 82.1 20 26 A R S < S- 0 0 82 -4,-1.3 -1,-0.3 0, 0.0 2,-0.0 -0.934 71.0 -75.5-167.6 159.3 13.8 -2.7 79.4 21 27 A P - 0 0 54 0, 0.0 2,-0.3 0, 0.0 53,-0.2 -0.378 56.8-165.2 -60.0 150.1 16.9 -0.6 79.1 22 28 A X E -A 73 0A 6 51,-1.7 51,-2.7 -2,-0.0 2,-0.2 -0.959 21.9-121.3-140.1 153.4 16.2 3.0 80.1 23 29 A H E >> -A 72 0A 13 -2,-0.3 4,-1.6 49,-0.2 3,-0.5 -0.510 38.5-110.0 -80.0 160.8 17.5 6.5 80.0 24 30 A G H 3> S+ 0 0 1 47,-0.5 4,-2.3 1,-0.2 5,-0.2 0.847 117.5 58.5 -59.2 -35.6 18.2 8.3 83.1 25 31 A Y H 3> S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.842 104.8 51.1 -68.9 -29.7 15.3 10.7 82.5 26 32 A E H <> S+ 0 0 18 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.878 109.8 48.6 -71.8 -41.8 12.9 7.8 82.3 27 33 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 5,-0.2 0.901 111.5 50.8 -63.1 -40.4 14.1 6.3 85.6 28 34 A Q H X S+ 0 0 32 -4,-2.3 4,-1.4 1,-0.2 11,-0.3 0.943 113.1 45.6 -64.6 -42.0 13.8 9.7 87.2 29 35 A K H X S+ 0 0 63 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.905 112.0 49.3 -69.2 -45.5 10.2 10.1 85.9 30 36 A S H X S+ 0 0 18 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.905 110.8 50.4 -64.4 -36.9 9.0 6.7 86.8 31 37 A X H X S+ 0 0 11 -4,-1.9 4,-2.1 1,-0.2 6,-0.5 0.892 111.3 49.4 -67.5 -36.0 10.3 7.0 90.3 32 38 A F H X S+ 0 0 95 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.924 112.7 46.1 -69.7 -45.5 8.6 10.3 90.7 33 39 A E H < S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.778 114.2 49.2 -68.8 -29.5 5.4 9.0 89.4 34 40 A T H < S+ 0 0 96 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.881 127.8 19.4 -81.0 -37.5 5.5 5.9 91.6 35 41 A T H < S- 0 0 77 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.2 0.646 94.5-122.8-109.2 -25.7 6.4 7.5 94.9 36 42 A G S < S+ 0 0 58 -4,-2.5 2,-0.4 -5,-0.4 -4,-0.1 0.441 79.6 107.9 91.1 6.5 5.3 11.2 94.4 37 43 A Q - 0 0 150 -6,-0.5 2,-0.5 -5,-0.2 -1,-0.3 -0.942 59.2-145.6-120.3 130.9 8.8 12.3 95.2 38 44 A A - 0 0 54 -2,-0.4 3,-0.1 -3,-0.1 -9,-0.1 -0.855 14.6-130.8-101.9 124.9 11.5 13.7 92.7 39 45 A L - 0 0 32 -2,-0.5 3,-0.1 -11,-0.3 5,-0.1 -0.387 41.8 -93.7 -65.3 146.6 15.3 13.1 93.0 40 46 A P >> - 0 0 95 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.237 58.2 -74.1 -64.7 151.1 17.4 16.3 92.8 41 47 A Q T 34 S+ 0 0 140 1,-0.3 126,-0.0 2,-0.1 -3,-0.0 -0.173 116.3 4.6 -46.4 126.9 18.7 17.2 89.3 42 48 A G T >> S+ 0 0 23 126,-0.2 4,-1.0 -3,-0.1 3,-0.7 0.196 98.2 109.3 87.8 -13.2 21.5 15.1 88.2 43 49 A S H <> + 0 0 44 -3,-2.1 4,-2.0 1,-0.3 5,-0.2 0.833 68.2 62.0 -67.2 -35.0 21.4 12.8 91.1 44 50 A I H 3X S+ 0 0 3 -4,-0.5 4,-2.0 1,-0.2 -1,-0.3 0.885 102.3 52.9 -52.6 -38.3 20.1 9.8 89.2 45 51 A Y H <> S+ 0 0 22 -3,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.829 103.4 55.5 -76.2 -29.9 23.2 9.8 87.2 46 52 A I H X S+ 0 0 108 -4,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.919 109.9 46.6 -66.1 -45.2 25.5 9.7 90.2 47 53 A L H X S+ 0 0 13 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.914 111.3 51.8 -60.8 -38.8 23.7 6.6 91.5 48 54 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.896 105.3 56.3 -67.3 -36.2 23.9 5.0 88.0 49 55 A K H X S+ 0 0 117 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.919 108.2 47.4 -59.8 -47.0 27.6 5.7 87.9 50 56 A T H X S+ 0 0 49 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.920 110.1 51.8 -59.3 -43.5 28.0 3.8 91.1 51 57 A X H X>S+ 0 0 3 -4,-2.4 5,-2.6 1,-0.2 6,-0.8 0.836 109.1 50.7 -64.9 -33.8 25.9 1.0 89.8 52 58 A K H ><5S+ 0 0 86 -4,-2.1 3,-0.8 2,-0.2 -1,-0.2 0.912 109.3 50.7 -67.0 -43.0 28.1 0.8 86.7 53 59 A E H 3<5S+ 0 0 140 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.807 108.7 53.2 -62.3 -34.2 31.2 0.7 88.8 54 60 A R H 3<5S- 0 0 166 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.596 117.1-113.3 -76.2 -16.1 29.7 -2.1 90.8 55 61 A G T <<5S+ 0 0 35 -3,-0.8 24,-0.4 -4,-0.6 23,-0.3 0.577 86.8 113.1 91.1 13.1 29.0 -4.1 87.8 56 62 A F S - 0 0 23 -20,-2.1 4,-2.2 -2,-0.2 5,-0.2 -0.570 27.4-106.0 -88.2 170.5 23.7 -7.0 83.8 77 83 A D H > S+ 0 0 131 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.886 125.2 52.3 -65.5 -31.4 23.2 -10.5 84.9 78 84 A A H > S+ 0 0 54 -23,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.880 105.6 53.4 -68.9 -39.8 25.0 -9.6 88.1 79 85 A G H > S+ 0 0 0 -24,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.885 107.9 51.1 -63.0 -38.5 22.6 -6.7 88.6 80 86 A K H X S+ 0 0 101 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.908 109.9 49.6 -66.9 -40.0 19.7 -9.1 88.2 81 87 A K H X S+ 0 0 112 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.949 109.9 50.5 -61.8 -45.3 21.3 -11.4 90.8 82 88 A F H X S+ 0 0 42 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.921 110.3 50.2 -62.2 -43.0 21.8 -8.6 93.3 83 89 A L H < S+ 0 0 27 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.916 112.7 46.9 -59.3 -47.5 18.1 -7.5 92.8 84 90 A X H >< S+ 0 0 112 -4,-2.1 3,-1.2 1,-0.2 4,-0.3 0.952 113.5 48.2 -60.2 -46.2 17.0 -11.1 93.4 85 91 A D H 3< S+ 0 0 76 -4,-3.1 3,-0.4 1,-0.3 -1,-0.2 0.824 114.6 44.4 -63.8 -38.5 19.2 -11.4 96.5 86 92 A H T 3< S+ 0 0 100 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.184 102.1 64.5-100.0 14.0 18.2 -8.2 98.1 87 93 A S S X S+ 0 0 39 -3,-1.2 3,-0.7 -4,-0.2 4,-0.2 0.348 75.4 90.2-120.9 7.1 14.5 -8.4 97.6 88 94 A Q T 3 S+ 0 0 128 -3,-0.4 -1,-0.1 -4,-0.3 -2,-0.1 0.576 90.1 40.8 -76.2 -20.3 13.9 -11.4 99.7 89 95 A A T 3> S+ 0 0 65 -3,-0.1 4,-2.4 1,-0.1 -1,-0.2 0.001 76.7 115.3-119.8 24.8 13.3 -9.5 103.1 90 96 A L H <> S+ 0 0 78 -3,-0.7 4,-2.2 1,-0.2 5,-0.2 0.844 72.0 56.2 -69.9 -32.4 11.2 -6.7 101.8 91 97 A Q H > S+ 0 0 136 2,-0.2 4,-1.7 -4,-0.2 -1,-0.2 0.912 109.3 45.9 -62.5 -43.4 8.1 -7.6 103.6 92 98 A L H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.931 110.9 55.0 -64.7 -45.2 9.9 -7.6 106.9 93 99 A A H X S+ 0 0 36 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.889 106.4 50.3 -52.2 -45.8 11.5 -4.2 105.9 94 100 A R H X S+ 0 0 70 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.870 109.0 52.2 -64.0 -41.5 8.0 -2.7 105.3 95 101 A K H X S+ 0 0 129 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.900 111.3 46.8 -60.7 -41.7 6.8 -3.9 108.7 96 102 A I H X S+ 0 0 86 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.933 111.5 50.4 -67.7 -43.3 9.7 -2.3 110.4 97 103 A I H X S+ 0 0 70 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.909 107.7 54.0 -62.3 -42.4 9.3 0.9 108.5 98 104 A D H X S+ 0 0 91 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.909 110.5 46.8 -56.8 -45.6 5.7 1.1 109.3 99 105 A D H >< S+ 0 0 108 -4,-1.5 3,-0.7 1,-0.2 4,-0.3 0.918 113.4 47.5 -61.5 -49.5 6.5 0.8 113.0 100 106 A L H >< S+ 0 0 95 -4,-2.6 3,-2.1 1,-0.2 4,-0.2 0.905 104.4 61.3 -58.7 -41.6 9.2 3.4 112.8 101 107 A L H >< S+ 0 0 103 -4,-3.1 3,-1.4 1,-0.3 -1,-0.2 0.787 92.1 67.2 -58.1 -25.3 6.9 5.7 110.8 102 108 A S T << S+ 0 0 94 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.583 102.0 48.4 -75.6 -6.6 4.6 5.8 113.8 103 109 A T T < S+ 0 0 101 -3,-2.1 2,-0.4 -4,-0.3 -1,-0.3 0.370 101.9 75.2-111.0 0.7 7.3 7.6 115.7 104 110 A V < 0 0 95 -3,-1.4 0, 0.0 -4,-0.2 0, 0.0 -0.917 360.0 360.0-128.8 138.4 8.2 10.3 113.2 105 111 A D 0 0 204 -2,-0.4 -3,-0.0 -3,-0.0 -2,-0.0 -0.839 360.0 360.0 -92.0 360.0 6.6 13.5 112.0 106 !* 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 0.0 107 8 B E > 0 0 108 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 124.9 6.4 16.1 50.0 108 9 B R H > + 0 0 92 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.827 360.0 52.1 -62.3 -32.8 2.9 16.6 51.4 109 10 B I H > S+ 0 0 129 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.977 115.2 39.6 -71.1 -52.7 2.1 12.8 51.5 110 11 B L H > S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.866 110.8 58.8 -65.8 -37.1 5.2 11.9 53.4 111 12 B H H X S+ 0 0 91 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.948 110.1 43.6 -58.0 -44.6 5.1 15.0 55.7 112 13 B G H X S+ 0 0 32 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.916 114.7 49.1 -66.4 -42.3 1.6 13.9 56.9 113 14 B L H X S+ 0 0 66 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.886 110.6 49.5 -68.4 -39.8 2.5 10.3 57.3 114 15 B I H X S+ 0 0 31 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.909 107.7 55.6 -68.8 -36.4 5.7 11.1 59.2 115 16 B T H X S+ 0 0 7 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.954 110.1 45.8 -59.0 -46.6 3.7 13.4 61.5 116 17 B L H X S+ 0 0 15 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.874 109.7 53.9 -66.0 -39.5 1.4 10.6 62.3 117 18 B Y H X S+ 0 0 32 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.927 108.5 49.8 -62.7 -43.4 4.3 8.2 62.8 118 19 B I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.926 109.9 50.7 -58.8 -47.6 5.8 10.5 65.3 119 20 B L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.937 109.2 51.4 -54.6 -43.6 2.5 10.8 67.2 120 21 B K H X S+ 0 0 86 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.882 109.9 49.8 -65.4 -34.8 2.2 7.1 67.3 121 22 B E H X S+ 0 0 10 -4,-2.0 4,-1.4 1,-0.2 3,-0.4 0.920 108.1 52.4 -68.9 -42.5 5.7 6.8 68.8 122 23 B L H < S+ 0 0 5 -4,-2.2 58,-0.4 1,-0.2 -2,-0.2 0.789 98.8 64.5 -69.6 -25.1 5.0 9.4 71.4 123 24 B V H < S+ 0 0 78 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.910 100.6 54.8 -59.1 -42.5 1.8 7.4 72.5 124 25 B K H < S- 0 0 118 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.972 133.2 -50.9 -54.7 -58.2 4.3 4.7 73.5 125 26 B R S < S- 0 0 84 -4,-1.4 -1,-0.3 0, 0.0 -2,-0.0 -0.936 70.1 -70.6-174.0 162.8 6.3 7.0 75.7 126 27 B P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 53,-0.2 -0.211 56.0-167.5 -63.5 150.5 8.0 10.4 75.5 127 28 B X B -C 178 0B 7 51,-1.9 51,-2.8 -3,-0.0 2,-0.2 -0.984 24.6-116.1-142.6 156.0 11.1 10.5 73.3 128 29 B H >> - 0 0 8 -2,-0.3 4,-1.5 49,-0.2 3,-0.5 -0.576 38.7-112.5 -80.6 158.3 14.1 12.5 72.3 129 30 B G H 3> S+ 0 0 2 47,-0.5 4,-2.4 1,-0.2 5,-0.1 0.893 116.8 57.2 -51.5 -42.6 14.3 13.7 68.7 130 31 B Y H 3> S+ 0 0 56 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.824 104.3 52.3 -64.7 -37.5 17.2 11.5 68.0 131 32 B E H <> S+ 0 0 34 -3,-0.5 4,-2.4 2,-0.2 -1,-0.3 0.870 107.4 50.1 -67.9 -44.9 15.2 8.5 69.1 132 33 B L H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.919 111.2 51.1 -55.1 -42.4 12.3 9.4 66.7 133 34 B Q H X S+ 0 0 63 -4,-2.4 4,-2.0 1,-0.2 11,-0.2 0.925 112.5 45.8 -59.9 -44.2 14.9 9.7 64.0 134 35 B K H X S+ 0 0 103 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.893 111.5 49.8 -69.7 -42.3 16.4 6.3 64.7 135 36 B S H X S+ 0 0 27 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.857 108.7 53.8 -71.3 -33.6 13.1 4.5 65.0 136 37 B X H X S+ 0 0 16 -4,-2.0 4,-3.4 2,-0.2 6,-0.5 0.963 109.2 47.4 -62.8 -54.9 12.0 5.9 61.7 137 38 B F H X S+ 0 0 30 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.927 109.0 55.4 -55.7 -40.7 15.1 4.7 60.0 138 39 B E H < S+ 0 0 169 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.980 117.6 34.8 -51.1 -66.1 14.6 1.3 61.6 139 40 B T H < S+ 0 0 101 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.774 131.7 30.2 -52.6 -37.2 11.1 1.1 60.2 140 41 B T H < S- 0 0 55 -4,-3.4 -1,-0.2 2,-0.3 -3,-0.2 0.563 86.9-131.5-105.4 -10.5 11.8 2.9 56.8 141 42 B G S < S+ 0 0 73 -4,-2.0 2,-0.4 -3,-0.5 -4,-0.2 0.477 77.3 135.1 55.7 2.5 15.4 2.0 56.2 142 43 B Q - 0 0 36 -6,-0.5 2,-0.5 -5,-0.2 -2,-0.3 -0.683 47.1-164.7 -90.6 128.1 14.7 5.7 55.8 143 44 B A - 0 0 81 -2,-0.4 -9,-0.1 -3,-0.2 -10,-0.1 -0.922 15.0-140.7-119.9 106.8 16.9 8.4 57.2 144 45 B L 0 0 28 -2,-0.5 5,-0.1 -11,-0.2 4,-0.1 -0.372 360.0 360.0 -73.4 138.9 15.6 11.9 57.4 145 46 B P 0 0 116 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.892 360.0 360.0 -44.7 360.0 17.7 15.1 56.7 146 ! 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 0.0 147 48 B G > 0 0 62 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 21.1 17.1 18.7 61.5 148 49 B S H > + 0 0 47 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.869 360.0 55.5 -59.5 -40.5 14.0 17.7 59.7 149 50 B I H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.946 106.7 49.6 -59.0 -46.5 12.6 15.9 62.7 150 51 B Y H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.848 108.3 54.0 -65.2 -34.1 13.0 19.0 64.9 151 52 B I H X S+ 0 0 107 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.934 110.1 45.7 -65.5 -44.7 11.2 21.1 62.3 152 53 B L H X S+ 0 0 15 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.896 111.2 54.1 -65.9 -43.0 8.2 18.8 62.2 153 54 B L H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.905 105.9 52.5 -60.3 -39.4 8.2 18.6 66.0 154 55 B K H X S+ 0 0 125 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.920 109.8 48.4 -61.6 -42.7 8.0 22.4 66.2 155 56 B T H X S+ 0 0 48 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.913 109.2 53.3 -62.8 -44.8 5.0 22.5 63.9 156 57 B X H <>S+ 0 0 3 -4,-2.3 5,-2.6 2,-0.2 6,-0.9 0.867 108.6 49.3 -60.1 -34.1 3.4 19.8 66.0 157 58 B K H ><5S+ 0 0 79 -4,-1.8 3,-1.0 4,-0.2 -2,-0.2 0.887 107.7 54.2 -72.5 -37.2 3.9 21.9 69.1 158 59 B E H 3<5S+ 0 0 140 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.890 108.2 51.1 -60.9 -38.1 2.4 24.9 67.3 159 60 B R T 3<5S- 0 0 135 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.490 117.2-113.8 -79.0 -9.2 -0.6 22.8 66.5 160 61 B G T < 5S+ 0 0 35 -3,-1.0 24,-0.4 -4,-0.3 23,-0.3 0.561 88.3 111.0 84.8 15.9 -1.0 21.7 70.2 161 62 B F S - 0 0 4 4,-1.7 3,-1.7 -2,-0.1 -99,-0.1 -0.403 39.3 -72.2-106.0-169.4 21.9 14.7 81.2 170 71 B E T 3 S+ 0 0 51 1,-0.3 -100,-0.1 -101,-0.2 -2,-0.1 0.708 131.4 43.4 -61.7 -21.9 25.1 13.2 82.6 171 72 B K T 3 S- 0 0 154 -102,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.284 121.3-101.6-109.7 2.9 27.2 16.1 81.5 172 73 B G S < S+ 0 0 47 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.630 74.5 146.5 87.1 15.2 24.8 18.8 82.6 173 74 B Q - 0 0 59 -104,-0.1 -4,-1.7 1,-0.0 2,-0.9 -0.619 52.6-120.6 -81.3 141.4 23.6 19.3 79.1 174 75 B Q E - D 0 168B 103 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.2 -0.761 34.2-174.2 -92.5 110.4 20.0 20.2 78.6 175 76 B L E - D 0 167B 6 -8,-3.1 -8,-3.2 -2,-0.9 2,-0.4 -0.589 19.5-125.3 -96.6 154.5 18.3 17.6 76.4 176 77 B T E - D 0 166B 51 -10,-0.2 -47,-0.5 -2,-0.2 2,-0.4 -0.903 17.9-165.2-107.8 136.5 14.7 17.9 75.1 177 78 B V E - D 0 165B 0 -12,-2.9 -12,-2.0 -2,-0.4 2,-0.4 -0.970 12.6-144.5-118.6 133.5 12.1 15.3 75.6 178 79 B Y E -CD 127 164B 22 -51,-2.8 -51,-1.9 -2,-0.4 2,-0.3 -0.836 13.8-169.6-103.1 140.3 8.8 15.4 73.6 179 80 B H E - D 0 163B 38 -16,-3.1 -16,-2.6 -2,-0.4 2,-0.2 -0.957 19.2-127.3-127.2 139.3 5.4 14.4 74.8 180 81 B I E - D 0 162B 22 -58,-0.4 -18,-0.3 -2,-0.3 2,-0.2 -0.579 24.9-146.5 -78.7 146.2 2.1 13.8 73.0 181 82 B T > - 0 0 28 -20,-2.1 4,-2.3 -2,-0.2 5,-0.2 -0.625 30.6-100.9-100.7 179.1 -0.9 15.7 74.3 182 83 B D H > S+ 0 0 124 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 125.3 55.5 -66.8 -36.0 -4.6 14.6 74.3 183 84 B A H > S+ 0 0 51 -23,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.889 107.1 49.1 -59.5 -46.1 -5.1 16.7 71.2 184 85 B G H > S+ 0 0 0 -24,-0.4 4,-2.4 -23,-0.3 -2,-0.2 0.879 108.0 53.3 -59.1 -43.8 -2.4 14.8 69.6 185 86 B K H X S+ 0 0 96 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.911 111.0 46.2 -58.7 -44.3 -3.8 11.5 70.5 186 87 B K H X S+ 0 0 124 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.892 109.9 54.2 -69.0 -41.7 -7.2 12.4 69.1 187 88 B F H X S+ 0 0 37 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.2 0.935 111.1 45.2 -56.0 -51.9 -5.6 13.7 65.9 188 89 B L H >< S+ 0 0 34 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.939 114.5 48.6 -57.0 -44.6 -3.8 10.5 65.5 189 90 B X H >< S+ 0 0 137 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.907 104.8 59.4 -63.2 -40.9 -6.9 8.5 66.2 190 91 B D H 3< S+ 0 0 88 -4,-2.8 3,-0.4 1,-0.3 4,-0.3 0.671 96.9 63.4 -60.9 -22.5 -9.0 10.5 63.9 191 92 B H T S+ 0 0 75 -3,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.943 85.0 40.9 -60.6 -48.1 -7.5 5.9 61.0 193 94 B Q H > S+ 0 0 158 -3,-0.4 4,-2.2 1,-0.3 -1,-0.2 0.827 111.0 56.3 -74.3 -29.0 -9.9 5.9 58.1 194 95 B A H > S+ 0 0 52 -4,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.884 107.9 50.8 -67.4 -33.6 -7.9 8.2 56.1 195 96 B L H X S+ 0 0 73 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.868 107.7 51.8 -71.8 -40.2 -5.0 5.8 56.5 196 97 B Q H X S+ 0 0 68 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.928 111.4 46.3 -62.0 -45.1 -7.0 2.9 55.3 197 98 B L H X S+ 0 0 97 -4,-2.2 4,-2.2 1,-0.2 3,-0.4 0.951 109.8 55.0 -60.3 -45.9 -8.1 4.7 52.2 198 99 B A H X S+ 0 0 34 -4,-2.1 4,-2.6 1,-0.3 5,-0.2 0.900 104.2 54.7 -57.5 -40.3 -4.5 5.8 51.6 199 100 B R H X S+ 0 0 150 -4,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.899 107.1 50.7 -60.3 -40.0 -3.4 2.2 51.7 200 101 B K H X S+ 0 0 123 -4,-1.5 4,-2.0 -3,-0.4 -1,-0.2 0.892 110.4 48.4 -66.5 -43.1 -5.9 1.3 49.0 201 102 B I H X S+ 0 0 88 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.919 111.5 49.7 -64.3 -47.9 -4.8 4.0 46.7 202 103 B I H X S+ 0 0 73 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.893 109.1 52.2 -59.7 -41.7 -1.1 3.1 47.2 203 104 B D H X S+ 0 0 99 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.917 111.2 47.7 -61.8 -42.4 -1.8 -0.5 46.4 204 105 B D H X S+ 0 0 93 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.932 113.8 47.1 -60.9 -47.0 -3.5 0.5 43.3 205 106 B L H X S+ 0 0 85 -4,-2.5 4,-2.1 1,-0.2 3,-0.3 0.910 113.1 47.0 -62.8 -46.3 -0.8 2.8 42.2 206 107 B L H < S+ 0 0 145 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.820 114.9 47.2 -71.7 -30.5 2.0 0.4 42.9 207 108 B S H < S+ 0 0 89 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.706 124.8 26.6 -81.1 -21.5 0.2 -2.4 41.1 208 109 B T H < 0 0 92 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.2 0.503 360.0 360.0-129.5 -8.9 -0.7 -0.5 38.0 209 110 B V < 0 0 155 -4,-2.1 -4,-0.0 -5,-0.2 0, 0.0 -0.506 360.0 360.0 -68.0 360.0 1.6 2.4 37.3