==== 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 24-SEP-07 2RDP . COMPND 2 MOLECULE: PUTATIVE TRANSCRIPTIONAL REGULATOR MARR; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR M.E.CUFF,E.DUGGAN,I.DEMENTIEVA,S.MOY,A.JOACHIMIAK,MIDWEST CE . 140 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 76.4 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 . 8 5.7 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 . 1 0.7 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 1 0 0 0 0 2 0 0 0 0 1 0 0 1 0 0 0 0 1 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 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A A 0 0 161 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 13.0 47.9 18.0 44.1 2 5 A X - 0 0 160 1,-0.0 2,-0.6 4,-0.0 0, 0.0 -0.672 360.0-116.6 -97.0 146.3 44.5 18.9 45.6 3 6 A N > - 0 0 93 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.735 18.8-159.1 -90.8 118.1 44.1 19.6 49.3 4 7 A E H > S+ 0 0 165 -2,-0.6 4,-2.6 2,-0.2 5,-0.2 0.835 88.2 56.2 -71.5 -33.5 41.8 17.0 50.9 5 8 A R H > S+ 0 0 204 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.945 114.4 41.8 -58.5 -45.8 40.9 19.1 54.0 6 9 A T H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.905 113.9 49.8 -68.6 -45.4 39.6 21.8 51.7 7 10 A V H X S+ 0 0 62 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.912 110.2 52.4 -61.8 -42.3 37.9 19.5 49.2 8 11 A A H X S+ 0 0 56 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.903 110.6 48.1 -57.2 -44.0 36.2 17.8 52.2 9 12 A E H X S+ 0 0 120 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.917 113.3 47.3 -60.2 -47.1 34.9 21.2 53.4 10 13 A L H X S+ 0 0 91 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.861 109.5 52.3 -66.4 -40.5 33.7 22.1 50.0 11 14 A E H X S+ 0 0 96 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.938 112.3 46.0 -58.6 -47.9 32.0 18.8 49.4 12 15 A K H X S+ 0 0 105 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.946 113.1 50.3 -60.8 -49.8 30.1 19.2 52.7 13 16 A L H X S+ 0 0 95 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.889 110.9 47.9 -51.5 -51.6 29.2 22.9 52.0 14 17 A L H X S+ 0 0 86 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.905 113.3 49.0 -59.9 -43.7 27.8 22.1 48.5 15 18 A R H X S+ 0 0 119 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.884 114.6 42.9 -61.2 -46.2 25.8 19.2 49.9 16 19 A Y H X S+ 0 0 144 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.784 114.1 52.6 -75.0 -27.7 24.3 21.3 52.8 17 20 A I H X S+ 0 0 94 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.944 111.6 45.8 -67.3 -48.3 23.7 24.2 50.4 18 21 A A H X S+ 0 0 56 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.845 111.5 52.5 -63.3 -36.3 21.8 21.9 48.0 19 22 A A H X S+ 0 0 62 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.868 111.8 45.6 -66.8 -36.7 19.8 20.4 50.9 20 23 A N H X S+ 0 0 90 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.918 112.7 50.1 -73.8 -41.7 18.7 23.8 52.1 21 24 A L H X S+ 0 0 84 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.818 107.7 55.0 -61.6 -35.9 17.9 25.0 48.5 22 25 A K H X S+ 0 0 126 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.934 110.2 45.1 -65.7 -47.5 15.8 21.9 48.0 23 26 A Q H X S+ 0 0 98 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.895 110.3 52.5 -65.6 -44.8 13.7 22.6 51.1 24 27 A R H X S+ 0 0 71 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.929 110.3 51.3 -51.7 -44.6 13.3 26.3 50.3 25 28 A G H X S+ 0 0 11 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.900 110.1 49.0 -57.6 -45.6 12.0 25.1 46.8 26 29 A R H X S+ 0 0 107 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.866 110.3 49.7 -58.6 -48.6 9.6 22.7 48.6 27 30 A E H >< S+ 0 0 108 -4,-2.5 3,-0.9 1,-0.2 4,-0.3 0.916 110.5 50.5 -60.6 -45.6 8.2 25.4 50.9 28 31 A I H >< S+ 0 0 11 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.893 106.9 55.1 -60.0 -41.6 7.7 27.7 47.9 29 32 A L H >< S+ 0 0 15 -4,-1.9 3,-1.7 1,-0.3 5,-0.3 0.620 84.9 81.6 -74.5 -10.7 5.8 25.0 46.0 30 33 A T T << S+ 0 0 110 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.749 91.7 52.8 -61.7 -22.3 3.3 24.5 48.8 31 34 A N T < S+ 0 0 127 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.329 102.7 72.0 -93.8 11.5 1.5 27.5 47.5 32 35 A Y S < S- 0 0 36 -3,-1.7 2,-0.0 2,-0.2 69,-0.0 -0.950 81.4-124.7-129.7 145.3 1.3 26.2 43.9 33 36 A P S S+ 0 0 100 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.141 84.2 85.3 -79.4 26.0 -0.8 23.5 42.3 34 37 A I S S- 0 0 9 -5,-0.3 -2,-0.2 67,-0.1 40,-0.0 -0.810 70.5-129.1-118.1 164.3 2.3 21.7 40.9 35 38 A T > - 0 0 65 -2,-0.3 4,-2.7 1,-0.0 3,-0.2 -0.576 35.7 -96.3-101.5 168.6 4.7 19.1 42.3 36 39 A P H > S+ 0 0 41 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.888 123.7 46.9 -54.6 -45.2 8.5 19.3 42.4 37 40 A P H > S+ 0 0 60 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.822 111.1 53.2 -69.6 -25.4 9.0 17.1 39.2 38 41 A Q H > S+ 0 0 11 -3,-0.2 4,-3.1 2,-0.2 5,-0.3 0.921 106.6 53.0 -69.2 -43.7 6.3 19.1 37.4 39 42 A F H X S+ 0 0 24 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.968 111.6 45.6 -47.5 -55.6 8.3 22.3 38.4 40 43 A V H X S+ 0 0 48 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.928 114.6 47.7 -56.4 -48.6 11.5 20.7 36.8 41 44 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.938 114.7 45.6 -57.5 -51.8 9.6 19.6 33.7 42 45 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.876 110.0 53.2 -60.9 -45.4 7.9 23.0 33.2 43 46 A Q H X S+ 0 0 34 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.861 107.5 52.8 -58.7 -37.4 11.1 25.0 33.8 44 47 A W H X S+ 0 0 59 -4,-1.9 4,-2.5 -5,-0.2 5,-0.3 0.907 110.9 46.6 -64.6 -42.0 12.8 22.8 31.0 45 48 A L H X S+ 0 0 3 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.873 113.0 49.1 -66.8 -39.7 10.0 23.6 28.6 46 49 A L H < S+ 0 0 55 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.946 119.0 39.0 -61.0 -46.3 10.2 27.3 29.5 47 50 A E H < S+ 0 0 105 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.785 130.7 25.6 -79.8 -28.9 14.0 27.3 29.1 48 51 A E H < S- 0 0 104 -4,-2.5 -3,-0.2 1,-0.3 -2,-0.2 0.588 96.4-133.2-109.9 -15.0 14.3 25.1 26.0 49 52 A G < + 0 0 33 -4,-2.0 -1,-0.3 -5,-0.3 43,-0.1 -0.470 67.6 4.3 85.3-164.0 10.9 25.3 24.1 50 53 A D S S- 0 0 62 -2,-0.1 2,-0.3 41,-0.1 43,-0.2 -0.247 73.2-173.7 -54.2 132.4 9.0 22.3 22.8 51 54 A L B -A 92 0A 9 41,-1.7 41,-3.9 4,-0.0 2,-0.1 -0.980 23.0-126.0-130.1 142.8 10.6 19.0 23.8 52 55 A T > - 0 0 32 -2,-0.3 4,-2.6 39,-0.3 5,-0.2 -0.383 35.3-108.9 -72.6 166.0 9.9 15.4 23.0 53 56 A V H > S+ 0 0 24 37,-0.5 4,-2.8 2,-0.2 5,-0.2 0.878 123.3 54.5 -65.0 -37.2 9.4 13.0 25.9 54 57 A G H > S+ 0 0 30 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.933 111.0 43.8 -59.1 -45.1 12.8 11.5 25.0 55 58 A E H > S+ 0 0 86 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.909 115.0 49.2 -66.9 -40.6 14.5 14.9 25.1 56 59 A L H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 3,-0.3 0.931 110.1 49.9 -65.9 -44.4 12.7 15.9 28.3 57 60 A S H X>S+ 0 0 3 -4,-2.8 5,-2.0 1,-0.2 4,-0.9 0.865 108.1 53.6 -66.4 -35.3 13.6 12.6 30.1 58 61 A N H <5S+ 0 0 125 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.829 109.4 49.9 -64.0 -33.5 17.3 13.0 29.1 59 62 A K H <5S+ 0 0 69 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.782 117.3 39.3 -70.3 -30.3 17.2 16.5 30.7 60 63 A X H <5S- 0 0 27 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.464 106.2-123.8-103.5 -4.0 15.7 15.2 33.9 61 64 A Y T <5 + 0 0 213 -4,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.814 65.9 134.3 62.2 37.0 17.7 12.0 34.0 62 65 A L < - 0 0 61 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.755 61.1-103.1-108.4 156.1 14.5 9.9 34.1 63 66 A A > - 0 0 61 -2,-0.3 4,-2.0 -3,-0.1 5,-0.2 -0.397 37.1-111.7 -64.0 153.5 13.4 6.7 32.3 64 67 A C H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.849 116.2 56.9 -54.4 -40.8 10.9 7.3 29.5 65 68 A S H > S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 109.3 46.2 -59.3 -49.0 8.1 5.5 31.4 66 69 A T H > S+ 0 0 68 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.887 112.9 49.1 -58.2 -45.4 8.4 7.9 34.3 67 70 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.846 108.9 53.1 -69.1 -31.9 8.6 10.9 32.1 68 71 A T H X S+ 0 0 45 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.889 107.9 49.9 -69.7 -43.8 5.5 9.8 30.1 69 72 A D H X S+ 0 0 109 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.870 113.0 48.4 -59.8 -39.6 3.4 9.5 33.3 70 73 A L H X S+ 0 0 24 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.947 112.7 45.8 -65.9 -50.5 4.5 12.9 34.4 71 74 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.944 110.6 55.4 -57.3 -48.4 3.7 14.5 31.0 72 75 A D H X S+ 0 0 47 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.894 108.6 47.5 -49.5 -49.3 0.3 12.6 31.1 73 76 A R H X S+ 0 0 119 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.933 114.5 46.3 -58.6 -48.2 -0.5 14.2 34.5 74 77 A X H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 6,-0.8 0.851 112.1 49.7 -67.3 -36.2 0.4 17.7 33.3 75 78 A E H ><5S+ 0 0 76 -4,-2.9 3,-1.7 4,-0.2 -1,-0.2 0.922 109.2 52.5 -64.9 -44.4 -1.4 17.4 30.1 76 79 A R H 3<5S+ 0 0 152 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.869 111.2 47.9 -56.6 -40.9 -4.6 16.2 32.0 77 80 A N T 3<5S- 0 0 52 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.209 117.5-113.5 -87.4 10.1 -4.3 19.3 34.2 78 81 A G T < 5S+ 0 0 27 -3,-1.7 20,-0.4 2,-0.2 19,-0.4 0.677 83.6 119.1 67.9 23.0 -3.9 21.6 31.2 79 82 A L S - 0 0 60 -16,-1.9 4,-2.7 -2,-0.4 3,-0.3 -0.501 27.4-105.0 -80.6 161.1 0.6 25.9 27.7 96 101 A E H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.838 121.2 54.9 -55.5 -38.8 -0.2 29.4 29.1 97 102 A K H > S+ 0 0 115 -19,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.908 111.4 43.9 -62.2 -43.4 -1.6 27.9 32.3 98 103 A G H > S+ 0 0 0 -19,-0.4 4,-2.1 -20,-0.4 -2,-0.2 0.931 114.6 48.9 -66.1 -47.7 1.7 26.0 32.9 99 104 A E H X S+ 0 0 73 -4,-2.7 4,-2.2 -20,-0.2 5,-0.2 0.884 106.8 55.8 -59.8 -42.7 3.9 29.0 32.0 100 105 A R H X S+ 0 0 159 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.943 110.0 46.5 -56.6 -50.5 2.0 31.4 34.2 101 106 A I H X S+ 0 0 18 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.910 113.5 45.8 -58.7 -51.1 2.6 29.1 37.3 102 107 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.844 108.9 54.3 -68.2 -35.3 6.3 28.5 36.7 103 108 A E H X S+ 0 0 99 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.831 111.1 48.8 -59.0 -35.7 7.1 32.1 36.0 104 109 A E H X S+ 0 0 98 -4,-1.3 4,-1.8 -5,-0.2 -2,-0.2 0.872 110.9 48.4 -72.4 -39.2 5.4 32.8 39.4 105 110 A V H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.940 112.2 49.6 -67.3 -45.1 7.4 30.1 41.2 106 111 A I H X S+ 0 0 38 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.887 109.1 51.8 -59.7 -39.3 10.7 31.3 39.7 107 112 A E H X S+ 0 0 104 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.897 110.2 48.6 -65.5 -39.3 9.9 34.9 40.7 108 113 A K H X S+ 0 0 54 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.866 110.3 52.1 -66.8 -36.4 9.2 33.8 44.3 109 114 A R H X S+ 0 0 88 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.863 110.3 49.3 -65.2 -39.4 12.6 31.8 44.2 110 115 A Q H X S+ 0 0 122 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.901 111.2 47.4 -66.0 -47.0 14.3 35.0 43.1 111 116 A R H X S+ 0 0 118 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.923 111.2 52.9 -59.3 -44.5 12.7 37.1 45.9 112 117 A D H X S+ 0 0 36 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.903 112.1 44.6 -58.2 -45.6 13.7 34.4 48.4 113 118 A L H X S+ 0 0 86 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.894 105.4 60.0 -65.8 -43.4 17.3 34.5 47.2 114 119 A A H < S+ 0 0 57 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.892 106.5 50.5 -52.5 -37.2 17.4 38.3 47.2 115 120 A N H >< S+ 0 0 95 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.880 110.1 47.8 -67.9 -41.1 16.6 38.0 51.0 116 121 A V H >< S+ 0 0 62 -4,-1.5 3,-0.5 1,-0.2 -1,-0.2 0.848 114.9 47.6 -62.9 -35.9 19.4 35.5 51.6 117 122 A L G >< S+ 0 0 34 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.395 79.4 99.8 -88.4 -0.3 21.8 37.7 49.6 118 123 A E G < S+ 0 0 153 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.1 0.729 81.5 53.2 -67.7 -19.5 21.0 41.0 51.3 119 124 A S G < S+ 0 0 101 -3,-0.5 2,-0.3 -4,-0.2 -1,-0.3 0.500 86.9 97.4 -92.4 -5.4 24.0 40.9 53.5 120 125 A F S < S- 0 0 70 -3,-1.7 2,-0.1 4,-0.0 -3,-0.0 -0.650 75.7-127.6 -74.5 139.8 26.4 40.3 50.7 121 126 A S > - 0 0 57 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.415 29.1 -98.6 -75.2 162.3 28.2 43.5 49.6 122 127 A D H > S+ 0 0 144 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.900 126.4 48.4 -43.0 -50.3 28.2 44.6 45.9 123 128 A E H > S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.886 109.1 50.7 -64.8 -40.6 31.7 43.2 45.5 124 129 A E H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.828 109.0 53.0 -67.8 -30.9 30.9 39.8 47.2 125 130 A I H X S+ 0 0 61 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.914 109.9 46.9 -67.6 -42.8 27.8 39.4 44.9 126 131 A V H X S+ 0 0 59 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.905 116.3 43.8 -67.7 -42.5 29.9 39.9 41.8 127 132 A V H X S+ 0 0 62 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.929 112.3 54.0 -63.8 -49.1 32.7 37.5 42.9 128 133 A F H X S+ 0 0 78 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.930 109.2 47.3 -52.5 -50.1 30.1 35.0 44.1 129 134 A E H X S+ 0 0 90 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.897 109.5 53.8 -59.9 -45.1 28.4 35.0 40.7 130 135 A R H X S+ 0 0 153 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.923 109.8 48.3 -52.4 -46.7 31.8 34.6 39.0 131 136 A C H X S+ 0 0 78 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.902 112.9 46.7 -60.4 -50.0 32.5 31.5 41.2 132 137 A L H X S+ 0 0 81 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.867 109.8 53.4 -59.2 -41.7 29.2 29.9 40.5 133 138 A R H X S+ 0 0 158 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.934 113.2 43.4 -62.1 -47.0 29.5 30.6 36.8 134 139 A K H X S+ 0 0 134 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.916 114.6 50.5 -62.2 -44.8 33.0 28.8 36.8 135 140 A L H X S+ 0 0 66 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.964 112.7 46.0 -56.5 -53.5 31.6 26.0 39.0 136 141 A H H X S+ 0 0 120 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.887 112.9 50.1 -58.1 -43.7 28.6 25.4 36.7 137 142 A Q H < S+ 0 0 104 -4,-2.2 3,-0.4 -5,-0.2 -1,-0.2 0.909 112.1 46.1 -64.6 -41.7 30.8 25.5 33.6 138 143 A E H >< S+ 0 0 109 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.798 111.7 53.2 -70.1 -27.0 33.3 23.0 34.9 139 144 A X H 3< S+ 0 0 138 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.657 106.8 51.0 -79.3 -22.5 30.5 20.7 36.1 140 145 A T T 3< 0 0 89 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.009 360.0 360.0-108.7 24.3 28.8 20.6 32.7 141 146 A K < 0 0 215 -3,-0.7 -4,-0.1 -5,-0.0 -1,-0.0 -0.607 360.0 360.0 96.8 360.0 32.1 19.7 31.0