==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 07-AUG-12 4GHJ . COMPND 2 MOLECULE: PROBABLE TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO VULNIFICUS; . AUTHOR G.MINASOV,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR,S.GRIMSHAW,L.PAPA . 149 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 72.5 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 . 2 1.3 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 . 5 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 48.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 5.4 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 1 3 0 2 0 0 0 0 0 0 0 2 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 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 K 0 0 116 0, 0.0 2,-1.0 0, 0.0 137,-0.1 0.000 360.0 360.0 360.0 120.9 40.9 6.5 58.0 2 3 A H + 0 0 210 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.782 360.0 120.6-100.8 87.1 41.9 9.1 60.6 3 4 A V - 0 0 47 -2,-1.0 2,-0.1 3,-0.0 3,-0.0 -0.968 65.0-104.0-145.9 154.2 42.3 12.1 58.2 4 5 A T > - 0 0 89 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.440 33.1-116.7 -75.1 159.4 40.8 15.5 57.6 5 6 A A H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.874 116.4 52.9 -63.7 -36.6 38.3 16.1 54.8 6 7 A A H > S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 109.4 48.5 -68.7 -35.5 40.7 18.5 53.1 7 8 A A H > S+ 0 0 42 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.876 110.9 49.3 -70.1 -39.9 43.6 15.9 53.2 8 9 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.887 107.9 55.3 -66.1 -36.2 41.3 13.2 51.8 9 10 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.883 106.8 50.8 -61.3 -39.1 40.3 15.6 49.0 10 11 A E H X S+ 0 0 118 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.905 108.2 52.0 -64.5 -40.0 44.0 16.0 48.2 11 12 A E H X S+ 0 0 77 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.898 109.8 49.1 -61.8 -41.2 44.4 12.2 48.0 12 13 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.877 107.3 55.6 -66.3 -40.6 41.4 12.0 45.6 13 14 A G H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.922 106.1 51.4 -54.6 -44.4 43.1 14.8 43.6 14 15 A D H X S+ 0 0 93 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.845 107.2 52.9 -62.2 -35.1 46.2 12.6 43.3 15 16 A R H X S+ 0 0 14 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.900 108.8 49.8 -68.2 -39.7 44.0 9.7 42.1 16 17 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.929 111.0 49.1 -63.7 -45.9 42.6 11.9 39.4 17 18 A K H X S+ 0 0 83 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.947 112.6 48.3 -57.0 -46.2 46.1 12.9 38.4 18 19 A Q H X S+ 0 0 45 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.912 109.1 52.3 -63.4 -43.5 47.2 9.2 38.3 19 20 A A H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.903 111.4 48.6 -55.9 -42.8 44.1 8.3 36.2 20 21 A R H ><>S+ 0 0 19 -4,-2.1 5,-2.0 1,-0.2 3,-1.0 0.933 110.9 48.3 -63.1 -48.1 45.1 11.0 33.7 21 22 A L H ><5S+ 0 0 73 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.870 106.5 57.4 -62.4 -38.4 48.7 10.0 33.5 22 23 A N H 3<5S+ 0 0 66 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.692 107.4 49.4 -65.0 -20.9 47.7 6.4 32.9 23 24 A R T <<5S- 0 0 90 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.302 113.1-120.5 -98.4 4.5 45.7 7.6 29.9 24 25 A D T < 5 + 0 0 144 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.807 64.9 143.4 58.9 34.8 48.6 9.6 28.5 25 26 A L < - 0 0 38 -5,-2.0 -1,-0.2 4,-0.0 2,-0.2 -0.780 43.7-140.2-104.3 147.7 46.6 12.8 28.7 26 27 A T > - 0 0 67 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.580 29.4-111.2 -95.0 165.9 47.9 16.3 29.6 27 28 A Q H > S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.882 121.4 54.2 -63.9 -37.9 45.9 18.7 31.8 28 29 A S H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.888 108.2 49.5 -61.6 -39.0 45.4 20.9 28.7 29 30 A E H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.925 111.2 48.2 -67.5 -46.9 44.0 17.9 26.8 30 31 A V H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.924 113.0 49.7 -56.9 -43.8 41.5 17.0 29.7 31 32 A A H X>S+ 0 0 4 -4,-2.4 5,-2.3 1,-0.2 4,-1.1 0.902 110.0 49.5 -63.6 -43.3 40.5 20.7 29.8 32 33 A E H <5S+ 0 0 163 -4,-2.3 3,-0.2 3,-0.2 -1,-0.2 0.920 112.3 48.5 -62.3 -43.6 39.9 20.8 26.0 33 34 A I H <5S+ 0 0 99 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.932 116.9 40.4 -61.7 -47.8 37.8 17.6 26.1 34 35 A A H <5S- 0 0 30 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.593 110.0-122.7 -78.3 -11.2 35.6 18.7 29.0 35 36 A G T <5S+ 0 0 65 -4,-1.1 2,-0.2 1,-0.2 -3,-0.2 0.875 71.0 116.3 69.1 38.4 35.4 22.3 27.6 36 37 A I S > - 0 0 56 -2,-0.2 4,-1.1 1,-0.1 3,-0.9 -0.495 32.1-127.6 -75.7 144.5 39.9 26.0 31.7 38 39 A R H >> S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 3,-0.5 0.895 110.4 60.2 -57.0 -40.2 43.3 24.2 32.2 39 40 A K H 3> S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.818 99.4 57.5 -54.9 -32.8 43.6 25.9 35.6 40 41 A T H <> S+ 0 0 47 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.866 108.1 45.2 -68.6 -36.9 40.3 24.2 36.7 41 42 A V H <>S+ 0 0 44 -4,-2.6 5,-2.5 1,-0.2 3,-1.1 0.866 107.3 56.6 -59.5 -43.2 43.1 22.8 40.9 44 45 A A H ><5S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.870 101.5 56.5 -56.4 -38.0 41.0 19.6 40.8 45 46 A E H 3<5S+ 0 0 14 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.642 104.6 53.8 -73.3 -10.0 44.2 17.5 40.9 46 47 A K T <<5S- 0 0 115 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.455 127.3-101.7 -96.4 0.6 45.0 19.4 44.1 47 48 A G T < 5S+ 0 0 6 -3,-1.6 2,-0.8 -4,-0.3 79,-0.4 0.543 88.3 121.6 89.5 11.2 41.6 18.4 45.6 48 49 A K < + 0 0 144 -5,-2.5 2,-0.3 -6,-0.1 -2,-0.2 -0.872 38.2 116.4-111.9 95.5 40.0 21.8 44.9 49 50 A V - 0 0 8 -2,-0.8 76,-2.7 -5,-0.1 2,-0.3 -0.980 61.2-116.2-160.6 147.3 37.0 21.3 42.7 50 51 A Q B > -A 124 0A 70 -2,-0.3 4,-2.3 74,-0.2 74,-0.3 -0.637 38.6-115.2 -81.0 148.0 33.2 21.7 42.6 51 52 A L H > S+ 0 0 4 72,-3.1 4,-2.4 -2,-0.3 5,-0.2 0.889 112.7 49.2 -54.3 -49.7 31.3 18.3 42.2 52 53 A D H > S+ 0 0 45 69,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.911 113.4 48.5 -61.6 -37.2 29.8 19.0 38.7 53 54 A I H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 109.9 51.4 -66.5 -42.7 33.2 20.1 37.4 54 55 A X H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.874 109.6 50.3 -62.2 -38.6 34.9 17.0 38.9 55 56 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.895 108.4 52.5 -66.6 -38.7 32.3 14.8 37.2 56 57 A A H X S+ 0 0 21 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.885 110.0 48.9 -65.5 -38.5 32.9 16.5 33.8 57 58 A I H X S+ 0 0 1 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.919 111.0 49.6 -63.2 -47.6 36.7 15.8 34.3 58 59 A L H <>S+ 0 0 0 -4,-2.3 5,-3.0 1,-0.2 3,-0.3 0.855 107.6 53.9 -59.9 -38.1 35.9 12.2 35.0 59 60 A X H ><5S+ 0 0 79 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.882 104.0 56.5 -63.8 -36.8 33.7 11.9 31.9 60 61 A A H 3<5S+ 0 0 20 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.780 110.0 44.9 -64.1 -28.7 36.6 13.2 29.9 61 62 A L T 3<5S- 0 0 6 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.350 114.5-117.4 -94.1 3.5 38.7 10.3 31.2 62 63 A D T < 5S+ 0 0 124 -3,-1.2 -3,-0.2 -4,-0.2 3,-0.1 0.929 78.6 127.8 57.4 47.2 35.9 7.8 30.6 63 64 A L < + 0 0 22 -5,-3.0 -4,-0.2 -8,-0.2 -1,-0.1 -0.357 32.0 91.5-130.7 51.0 35.8 7.2 34.4 64 65 A T > + 0 0 21 -5,-0.1 3,-1.0 -6,-0.1 4,-0.3 0.451 56.7 89.2-120.7 -4.8 32.2 7.7 35.4 65 66 A E G > S+ 0 0 144 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.826 84.9 58.4 -64.1 -28.5 30.8 4.2 35.2 66 67 A Q G > S+ 0 0 26 1,-0.2 3,-2.2 2,-0.1 -1,-0.2 0.762 85.1 80.5 -72.1 -20.8 31.8 3.5 38.8 67 68 A I G X S+ 0 0 0 -3,-1.0 3,-1.8 1,-0.3 -1,-0.2 0.743 77.1 70.0 -58.8 -24.2 29.7 6.4 40.0 68 69 A D G < S+ 0 0 82 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.1 0.778 99.4 51.7 -61.3 -27.3 26.5 4.2 39.8 69 70 A L G < S+ 0 0 106 -3,-2.2 2,-0.6 74,-0.3 -1,-0.3 0.398 84.2 107.4 -88.8 -1.4 28.1 2.4 42.8 70 71 A F S < S- 0 0 0 -3,-1.8 71,-0.1 1,-0.2 19,-0.1 -0.747 107.9 -37.8 -89.2 116.0 28.6 5.6 44.9 71 72 A I S S- 0 0 14 -2,-0.6 -1,-0.2 1,-0.1 22,-0.1 0.853 94.2-179.1 35.2 51.2 26.1 5.8 47.8 72 73 A P 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.179 360.0 360.0 -77.6 171.2 23.4 4.3 45.5 73 74 A K 0 0 213 20,-0.0 16,-0.1 0, 0.0 20,-0.0 -0.863 360.0 360.0 168.9 360.0 19.8 3.5 46.2 74 !* 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 75 2 B K 0 0 100 0, 0.0 2,-1.1 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 78.1 24.8 5.8 30.8 76 3 B H + 0 0 196 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.721 360.0 129.2 -98.6 90.5 24.1 8.9 28.8 77 4 B V - 0 0 61 -2,-1.1 2,-0.1 3,-0.0 3,-0.0 -0.934 54.3-109.1-139.2 156.3 23.8 11.8 31.3 78 5 B T > - 0 0 85 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.452 28.6-116.9 -81.7 161.9 25.3 15.3 31.8 79 6 B A H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.889 117.2 52.5 -62.8 -41.7 27.8 16.2 34.5 80 7 B A H > S+ 0 0 63 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.919 110.1 47.6 -60.8 -45.2 25.1 18.6 36.0 81 8 B A H > S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.891 111.5 50.1 -63.7 -42.4 22.5 15.9 36.1 82 9 B L H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.896 107.8 53.1 -65.0 -37.8 24.8 13.4 37.7 83 10 B A H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.905 109.9 49.4 -63.3 -39.9 25.8 16.0 40.4 84 11 B E H X S+ 0 0 134 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.874 108.3 52.6 -66.0 -37.0 22.1 16.5 41.2 85 12 B E H X S+ 0 0 87 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.898 109.0 50.2 -65.2 -39.1 21.6 12.7 41.4 86 13 B I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.901 107.1 55.3 -66.4 -39.4 24.6 12.5 43.9 87 14 B G H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.934 107.9 48.1 -55.9 -47.0 22.9 15.3 45.9 88 15 B D H X S+ 0 0 86 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.854 109.9 52.6 -64.5 -34.5 19.7 13.2 46.1 89 16 B R H X S+ 0 0 27 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.888 108.3 50.6 -68.1 -37.0 21.8 10.2 47.2 90 17 B L H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.924 110.5 50.7 -65.6 -44.7 23.4 12.3 50.0 91 18 B K H X S+ 0 0 83 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.929 112.5 44.7 -56.7 -49.6 19.8 13.3 51.0 92 19 B Q H X S+ 0 0 71 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.822 110.2 54.6 -69.6 -30.5 18.5 9.7 51.2 93 20 B A H X S+ 0 0 9 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.919 111.0 47.3 -64.6 -42.1 21.7 8.5 53.0 94 21 B R H ><>S+ 0 0 23 -4,-2.1 5,-2.4 2,-0.2 3,-0.5 0.904 112.4 48.1 -63.4 -43.6 21.0 11.2 55.6 95 22 B L H ><5S+ 0 0 71 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.884 105.9 57.9 -67.2 -38.4 17.3 10.3 55.9 96 23 B N H 3<5S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.730 107.8 48.3 -64.2 -20.2 18.1 6.6 56.3 97 24 B R T <<5S- 0 0 105 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.347 115.3-118.0 -99.7 4.5 20.3 7.5 59.3 98 25 B D T < 5 + 0 0 144 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.828 65.8 143.6 60.8 38.0 17.4 9.7 60.8 99 26 B L < - 0 0 35 -5,-2.4 -1,-0.2 4,-0.0 2,-0.2 -0.789 43.1-139.5-108.0 148.2 19.5 12.8 60.6 100 27 B T > - 0 0 63 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.599 29.3-110.8 -93.7 168.3 18.4 16.4 59.8 101 28 B Q H > S+ 0 0 29 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.900 122.0 52.9 -62.5 -41.1 20.4 18.8 57.6 102 29 B S H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 108.1 49.9 -60.1 -43.0 21.0 20.9 60.8 103 30 B E H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.865 110.1 49.5 -66.8 -38.5 22.4 17.8 62.6 104 31 B V H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.950 111.3 49.9 -64.1 -46.2 24.8 16.8 59.7 105 32 B A H X>S+ 0 0 4 -4,-2.4 5,-2.1 1,-0.2 4,-1.4 0.931 110.7 50.3 -57.1 -48.8 26.1 20.4 59.6 106 33 B E H <5S+ 0 0 155 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.901 112.0 46.1 -54.4 -50.2 26.6 20.3 63.4 107 34 B I H <5S+ 0 0 104 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.911 118.4 42.3 -61.1 -42.9 28.6 17.0 63.2 108 35 B A H <5S- 0 0 31 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.601 108.5-124.3 -82.4 -13.3 30.7 18.2 60.3 109 36 B G T <5S+ 0 0 68 -4,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.854 70.7 114.8 72.3 36.0 31.2 21.7 61.8 110 37 B I S - 0 0 55 -2,-0.2 4,-1.2 1,-0.1 3,-0.5 -0.429 31.2-127.5 -75.5 148.3 26.8 25.7 57.9 112 39 B R H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 3,-0.5 0.902 110.9 56.8 -58.0 -42.9 23.3 24.3 57.4 113 40 B K H > S+ 0 0 140 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.820 100.0 59.6 -62.5 -28.6 23.0 26.1 54.1 114 41 B T H > S+ 0 0 49 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.898 108.3 44.1 -67.3 -37.1 26.2 24.2 52.9 115 42 B V H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.5 -2,-0.2 0.905 111.5 53.6 -71.3 -42.9 24.5 20.9 53.5 116 43 B L H < S+ 0 0 49 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.942 111.2 46.0 -57.4 -47.9 21.2 22.1 51.9 117 44 B N H ><>S+ 0 0 54 -4,-2.6 5,-2.4 1,-0.2 3,-1.1 0.846 108.1 56.9 -63.3 -36.9 23.2 23.1 48.8 118 45 B A H ><5S+ 0 0 0 -4,-1.6 3,-1.8 1,-0.3 -1,-0.2 0.873 100.5 57.0 -63.5 -37.3 25.1 19.8 48.7 119 46 B E T 3<5S+ 0 0 19 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.581 104.5 53.5 -73.1 -8.5 21.9 17.9 48.6 120 47 B K T < 5S- 0 0 123 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.370 128.5-101.4 -98.8 1.7 21.0 19.8 45.4 121 48 B G T < 5S+ 0 0 6 -3,-1.8 2,-0.9 1,-0.2 -69,-0.4 0.521 87.4 123.7 91.9 9.7 24.4 18.8 43.9 122 49 B K < + 0 0 129 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.2 -0.855 39.2 117.0-106.8 98.0 26.2 22.1 44.6 123 50 B V - 0 0 9 -2,-0.9 -72,-3.1 -5,-0.1 2,-0.2 -0.984 59.5-118.0-163.9 147.6 29.2 21.2 46.7 124 51 B Q B > -A 50 0A 85 -2,-0.3 4,-2.3 -74,-0.3 3,-0.3 -0.621 37.0-112.8 -84.7 152.7 33.0 21.3 46.8 125 52 B L H > S+ 0 0 2 -76,-2.7 4,-2.3 -2,-0.2 5,-0.2 0.884 115.3 49.8 -53.5 -46.8 34.9 18.0 47.0 126 53 B D H > S+ 0 0 60 -79,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.889 112.3 48.8 -64.7 -35.2 36.3 18.6 50.6 127 54 B I H > S+ 0 0 36 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.878 108.4 52.7 -71.2 -38.9 32.8 19.5 51.8 128 55 B X H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.919 109.8 49.9 -60.6 -42.0 31.2 16.4 50.2 129 56 B I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.897 108.2 52.1 -63.3 -43.9 33.9 14.3 52.1 130 57 B A H X S+ 0 0 15 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.862 110.1 49.7 -58.6 -40.1 33.1 16.1 55.4 131 58 B I H X S+ 0 0 2 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.921 110.2 49.8 -66.0 -44.5 29.4 15.2 54.8 132 59 B L H <>S+ 0 0 0 -4,-2.4 5,-3.3 1,-0.2 6,-0.5 0.881 109.8 51.6 -58.9 -41.1 30.3 11.6 54.1 133 60 B X H ><5S+ 0 0 76 -4,-2.4 3,-1.3 4,-0.2 -1,-0.2 0.897 106.9 53.2 -62.7 -41.5 32.4 11.5 57.3 134 61 B A H 3<5S+ 0 0 16 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.827 112.1 45.5 -62.4 -32.4 29.4 12.9 59.3 135 62 B L T 3<5S- 0 0 4 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.349 115.5-116.4 -90.8 3.7 27.3 10.0 57.9 136 63 B D T < 5S+ 0 0 145 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.936 86.5 115.5 57.4 46.9 30.0 7.4 58.6 137 64 B L > < + 0 0 26 -5,-3.3 3,-1.7 -8,-0.2 4,-0.3 0.063 22.9 127.4-128.6 21.0 30.3 6.8 54.8 138 65 B T G > + 0 0 25 -6,-0.5 3,-2.0 1,-0.3 4,-0.2 0.856 68.4 59.7 -51.2 -42.7 33.9 8.0 54.2 139 66 B E G > S+ 0 0 150 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.732 86.2 77.0 -61.7 -23.6 35.0 4.8 52.4 140 67 B Q G X S+ 0 0 52 -3,-1.7 3,-2.4 1,-0.3 4,-0.4 0.753 75.7 77.5 -57.3 -22.4 32.3 5.4 49.8 141 68 B I G X> S+ 0 0 0 -3,-2.0 4,-2.1 -4,-0.3 3,-1.4 0.814 82.2 66.8 -59.8 -26.1 34.7 8.0 48.3 142 69 B D G <4 S+ 0 0 44 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.602 97.7 52.4 -68.9 -13.2 36.6 5.0 46.9 143 70 B L G <4 S+ 0 0 60 -3,-2.4 -1,-0.3 -4,-0.2 -74,-0.3 0.437 106.3 54.3 -95.9 -8.0 33.6 4.4 44.6 144 71 B F T <4 S- 0 0 0 -3,-1.4 -2,-0.2 -4,-0.4 -77,-0.1 0.880 135.4 -1.8 -86.8 -51.9 33.7 8.1 43.4 145 72 B I S < S- 0 0 0 -4,-2.1 -1,-0.3 -79,-0.1 -2,-0.1 -0.860 84.5-145.5-138.1 103.7 37.4 7.8 42.3 146 73 B P - 0 0 43 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.178 33.0 -85.9 -65.5 160.5 39.0 4.5 43.0 147 74 B K - 0 0 151 -5,-0.2 2,-0.4 1,-0.1 -135,-0.0 -0.340 50.1-143.0 -58.4 147.2 42.7 4.1 43.9 148 75 B Q - 0 0 47 -3,-0.1 2,-0.1 0, 0.0 -1,-0.1 -0.939 2.1-138.1-120.6 141.8 44.8 4.0 40.8 149 76 B E 0 0 165 -2,-0.4 -127,-0.1 1,-0.1 0, 0.0 -0.411 360.0 360.0 -85.2 170.5 47.9 1.9 40.0 150 77 B I 0 0 172 -2,-0.1 -1,-0.1 -129,-0.0 -131,-0.1 -0.711 360.0 360.0 -80.3 360.0 50.9 3.4 38.1