==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 31-JUL-07 2QSJ . COMPND 2 MOLECULE: DNA-BINDING RESPONSE REGULATOR, LUXR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: SILICIBACTER POMEROYI DSS-3; . AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,M.MENDOZA,R.ROMERO,D.SMITH, . 242 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 18.6 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 . 18 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 0 0 0 0 2 2 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 3 1 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 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 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 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 1 A L 0 0 123 0, 0.0 2,-0.4 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 127.1 21.4 -11.4 68.3 2 2 A T E -a 28 0A 45 25,-3.5 27,-3.4 47,-0.0 2,-0.5 -0.753 360.0-159.8 -83.8 133.1 21.8 -8.2 66.3 3 3 A V E -a 29 0A 6 -2,-0.4 47,-3.1 25,-0.2 48,-1.3 -0.971 10.5-176.8-122.8 120.7 18.5 -6.2 66.0 4 4 A V E -ab 30 51A 0 25,-2.5 27,-2.4 -2,-0.5 2,-0.6 -0.966 12.6-153.6-114.7 129.7 17.9 -3.5 63.3 5 5 A L E -ab 31 52A 0 46,-2.4 48,-2.6 -2,-0.4 2,-0.5 -0.948 7.0-157.5-101.0 119.5 14.7 -1.5 63.3 6 6 A I E -ab 32 53A 4 25,-2.9 27,-2.5 -2,-0.6 2,-0.7 -0.880 2.5-163.6 -99.0 129.3 13.7 -0.2 59.9 7 7 A V E +ab 33 54A 5 46,-3.2 48,-2.7 -2,-0.5 2,-0.3 -0.934 37.4 126.3-118.2 98.1 11.3 2.8 60.0 8 8 A D - 0 0 2 25,-2.1 6,-0.1 -2,-0.7 25,-0.1 -0.958 57.9-132.1-156.4 143.2 9.7 3.2 56.6 9 9 A D S S+ 0 0 95 -2,-0.3 2,-0.5 4,-0.1 25,-0.1 0.392 84.3 80.4 -88.2 6.2 6.0 3.4 55.4 10 10 A H > - 0 0 112 1,-0.1 4,-1.9 24,-0.0 3,-0.3 -0.968 64.3-154.3-115.4 126.2 6.3 0.9 52.6 11 11 A H H > S+ 0 0 86 -2,-0.5 4,-3.2 1,-0.2 5,-0.3 0.867 96.2 61.8 -58.7 -44.0 6.1 -2.8 53.5 12 12 A L H > S+ 0 0 144 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 107.4 44.4 -51.5 -42.9 8.1 -3.6 50.3 13 13 A I H > S+ 0 0 57 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.925 115.0 46.0 -67.1 -48.6 11.1 -1.5 51.7 14 14 A R H X S+ 0 0 12 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.908 117.3 44.9 -64.4 -42.3 10.9 -2.9 55.2 15 15 A A H X S+ 0 0 23 -4,-3.2 4,-2.5 2,-0.2 5,-0.2 0.866 111.1 52.6 -70.6 -37.6 10.6 -6.5 53.9 16 16 A G H X S+ 0 0 36 -4,-2.1 4,-2.8 -5,-0.3 5,-0.2 0.948 112.4 45.9 -60.9 -46.4 13.3 -6.1 51.3 17 17 A A H X S+ 0 0 9 -4,-2.3 4,-3.0 1,-0.2 5,-0.4 0.902 113.0 50.1 -62.9 -42.9 15.7 -4.8 54.0 18 18 A K H X S+ 0 0 77 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.913 113.3 44.8 -61.0 -46.6 14.7 -7.6 56.4 19 19 A N H X S+ 0 0 109 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.958 117.2 45.2 -67.4 -50.9 15.3 -10.3 53.7 20 20 A L H X S+ 0 0 53 -4,-2.8 4,-1.5 -5,-0.2 -2,-0.2 0.933 119.3 39.1 -52.4 -54.7 18.6 -8.8 52.6 21 21 A L H X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.846 115.4 50.3 -74.8 -35.6 20.0 -8.2 56.0 22 22 A E H < S+ 0 0 53 -4,-2.4 6,-0.3 -5,-0.4 -1,-0.2 0.841 112.6 49.3 -71.8 -29.8 18.8 -11.4 57.7 23 23 A G H < S+ 0 0 72 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.812 115.3 42.7 -72.9 -29.7 20.2 -13.4 54.7 24 24 A A H < S+ 0 0 53 -4,-1.5 2,-0.4 -5,-0.2 -2,-0.2 0.702 111.4 54.9 -92.4 -23.6 23.6 -11.7 54.8 25 25 A F >< - 0 0 38 -4,-1.5 3,-0.7 1,-0.1 -1,-0.1 -0.932 69.1-148.3-117.7 137.6 24.2 -11.7 58.6 26 26 A S T 3 S+ 0 0 135 -2,-0.4 -1,-0.1 1,-0.2 2,-0.0 0.954 94.7 33.6 -74.2 -51.5 24.0 -14.8 60.8 27 27 A G T 3 S+ 0 0 29 -26,-0.0 -25,-3.5 2,-0.0 2,-0.4 -0.024 93.8 131.8 -98.6 40.9 22.8 -13.5 64.1 28 28 A M E < -a 2 0A 13 -3,-0.7 2,-0.4 -6,-0.3 -25,-0.2 -0.780 32.1-178.6-105.5 128.2 20.5 -10.7 62.6 29 29 A R E -a 3 0A 38 -27,-3.4 -25,-2.5 -2,-0.4 2,-0.5 -0.988 9.8-160.9-119.7 126.7 16.9 -9.8 63.3 30 30 A V E -a 4 0A 5 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.931 9.7-176.8-111.5 122.7 15.1 -7.0 61.4 31 31 A E E -a 5 0A 2 -27,-2.4 -25,-2.9 -2,-0.5 2,-0.3 -0.781 13.8-138.6-112.2 157.5 11.9 -5.5 62.8 32 32 A G E +a 6 0A 7 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.866 19.2 179.0-121.8 148.6 9.7 -2.8 61.2 33 33 A A E -a 7 0A 6 -27,-2.5 -25,-2.1 -2,-0.3 3,-0.1 -0.979 19.2-150.8-140.1 157.1 7.8 0.3 62.1 34 34 A E S S+ 0 0 58 -2,-0.3 2,-0.3 -27,-0.2 -1,-0.1 0.741 76.2 26.8-101.3 -27.0 5.9 2.5 59.8 35 35 A T S > S- 0 0 63 1,-0.1 4,-2.8 -27,-0.1 5,-0.2 -0.952 73.6-116.1-130.8 161.6 6.2 5.8 61.5 36 36 A V H > S+ 0 0 25 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.912 119.9 52.0 -49.0 -46.7 8.6 7.7 63.8 37 37 A S H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 110.3 47.5 -64.4 -41.4 5.8 7.7 66.4 38 38 A D H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.914 111.0 52.4 -64.5 -38.6 5.4 3.9 66.1 39 39 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.940 109.4 49.0 -61.9 -43.4 9.2 3.5 66.3 40 40 A L H X S+ 0 0 24 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.917 110.5 49.6 -65.9 -39.8 9.3 5.6 69.6 41 41 A A H X S+ 0 0 13 -4,-2.2 4,-1.5 2,-0.2 116,-0.3 0.874 110.2 52.1 -62.2 -40.1 6.4 3.5 71.1 42 42 A F H <>S+ 0 0 14 -4,-2.2 5,-1.3 -5,-0.2 -2,-0.2 0.950 110.7 48.5 -58.3 -47.8 8.3 0.4 70.2 43 43 A L H ><5S+ 0 0 8 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.862 107.3 54.6 -64.4 -37.3 11.4 1.8 71.9 44 44 A E H 3<5S+ 0 0 77 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.896 93.8 68.5 -60.5 -37.0 9.5 2.8 75.1 45 45 A A T 3<5S- 0 0 2 -4,-1.5 -1,-0.3 110,-0.2 -2,-0.1 0.219 124.6-100.3 -78.8 21.1 8.2 -0.7 75.6 46 46 A D T < 5S+ 0 0 49 -3,-1.1 2,-0.6 1,-0.2 -3,-0.2 0.581 70.9 152.5 80.0 12.8 11.8 -1.7 76.3 47 47 A N < - 0 0 9 -5,-1.3 2,-0.3 108,-0.1 -1,-0.2 -0.662 33.7-149.1 -78.2 118.7 12.5 -3.2 72.9 48 48 A T - 0 0 105 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.0 -0.678 16.4-175.4 -95.1 147.4 16.3 -2.8 72.4 49 49 A V - 0 0 11 -2,-0.3 -45,-0.2 1,-0.1 3,-0.1 -0.955 30.0-149.6-136.5 154.4 18.0 -2.3 69.0 50 50 A D S S+ 0 0 80 -47,-3.1 23,-0.7 1,-0.3 2,-0.3 0.697 87.3 5.5 -90.2 -23.5 21.6 -2.1 67.7 51 51 A L E -bc 4 73A 0 -48,-1.3 -46,-2.4 21,-0.1 2,-0.5 -0.969 57.4-148.8-161.9 141.1 20.6 0.3 64.8 52 52 A I E -bc 5 74A 0 21,-2.5 23,-2.6 -2,-0.3 2,-0.6 -0.973 9.8-156.9-111.6 125.9 17.7 2.2 63.4 53 53 A L E -bc 6 75A 2 -48,-2.6 -46,-3.2 -2,-0.5 2,-0.5 -0.944 19.7-161.7 -98.9 120.6 17.4 2.8 59.7 54 54 A L E -bc 7 76A 4 21,-2.8 23,-2.4 -2,-0.6 -46,-0.2 -0.920 8.6-135.4-117.3 118.9 15.2 5.8 59.2 55 55 A D 0 0 41 -48,-2.7 6,-0.1 -2,-0.5 -47,-0.0 -0.328 360.0 360.0 -63.2 148.9 13.4 6.8 56.1 56 56 A V 0 0 82 21,-1.3 3,-0.0 -2,-0.1 -1,-0.0 -0.977 360.0 360.0-113.4 360.0 13.3 10.3 54.7 57 ! 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 58 63 A A > 0 0 92 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -69.0 12.4 14.6 58.4 59 64 A I H > + 0 0 42 2,-0.2 4,-2.9 3,-0.1 5,-0.2 0.683 360.0 65.8 -81.6 -28.8 15.5 15.6 60.4 60 65 A D H > S+ 0 0 91 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.883 96.0 54.2 -61.9 -34.4 12.9 16.1 63.2 61 66 A G H > S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.967 109.9 47.6 -57.3 -50.7 12.4 12.2 63.1 62 67 A L H X S+ 0 0 0 -4,-0.7 4,-2.3 1,-0.2 5,-0.2 0.932 112.3 49.0 -58.0 -44.4 16.1 11.8 63.6 63 68 A V H X S+ 0 0 37 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.942 111.2 49.8 -63.5 -44.3 16.2 14.3 66.4 64 69 A R H X S+ 0 0 97 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.949 111.5 47.6 -60.0 -45.7 13.3 12.6 68.1 65 70 A L H X S+ 0 0 0 -4,-2.8 4,-0.9 2,-0.2 -1,-0.2 0.844 115.1 45.1 -67.0 -36.3 14.8 9.2 68.0 66 71 A K H >< S+ 0 0 28 -4,-2.3 3,-0.7 -5,-0.2 -2,-0.2 0.939 108.8 56.6 -68.7 -50.1 18.2 10.4 69.2 67 72 A R H 3< S+ 0 0 183 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.907 104.5 55.1 -43.1 -48.1 16.5 12.5 72.0 68 73 A F H 3< S- 0 0 73 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.869 138.2 -16.5 -55.6 -42.5 14.9 9.2 73.2 69 74 A D X< - 0 0 54 -4,-0.9 3,-2.1 -3,-0.7 -1,-0.2 -0.527 55.5-165.5-169.7 94.8 18.2 7.4 73.5 70 75 A P T 3 S+ 0 0 97 0, 0.0 -3,-0.1 0, 0.0 4,-0.1 0.595 84.1 78.4 -69.2 -6.6 21.4 8.8 71.9 71 76 A S T 3 S+ 0 0 95 -5,-0.1 2,-0.5 2,-0.1 -5,-0.1 0.536 76.8 87.2 -76.8 -8.1 23.1 5.4 72.5 72 77 A N S < S- 0 0 15 -3,-2.1 2,-0.2 -7,-0.2 -21,-0.1 -0.836 81.9-126.6 -90.2 126.2 21.2 3.9 69.5 73 78 A A E -c 51 0A 18 -23,-0.7 -21,-2.5 -2,-0.5 2,-0.4 -0.493 27.8-168.6 -61.4 134.0 22.9 4.3 66.1 74 79 A V E -c 52 0A 0 15,-0.3 17,-3.2 -23,-0.2 18,-0.4 -0.988 6.1-177.8-130.5 122.5 20.5 5.9 63.6 75 80 A A E -c 53 0A 0 -23,-2.6 -21,-2.8 -2,-0.4 2,-0.2 -0.965 22.5-125.9-117.7 141.3 21.2 6.0 59.9 76 81 A L E cd 54 93A 0 16,-2.4 18,-3.0 -2,-0.4 -21,-0.2 -0.584 360.0 360.0 -83.1 148.0 19.1 7.7 57.2 77 82 A I 0 0 18 -23,-2.4 -21,-1.3 -2,-0.2 19,-0.1 -0.916 360.0 360.0-128.2 360.0 17.9 5.9 54.1 78 ! 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 79 88 A H > 0 0 143 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -41.4 24.0 17.7 50.5 80 89 A E H > + 0 0 106 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.926 360.0 49.1 -65.8 -46.4 22.2 20.0 52.8 81 90 A L H > S+ 0 0 78 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.968 112.8 47.1 -54.9 -56.8 20.1 17.1 54.1 82 91 A I H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.907 114.1 48.0 -50.3 -49.0 23.2 15.1 54.7 83 92 A R H X S+ 0 0 78 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.933 113.4 46.6 -61.7 -47.8 24.9 18.0 56.4 84 93 A A H X S+ 0 0 24 -4,-3.5 4,-1.6 1,-0.2 -2,-0.2 0.924 111.5 52.9 -58.6 -45.7 21.9 18.7 58.6 85 94 A A H <>S+ 0 0 1 -4,-3.1 5,-2.2 1,-0.2 3,-0.2 0.905 107.5 50.3 -56.2 -50.4 21.6 15.0 59.5 86 95 A L H ><5S+ 0 0 47 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.892 106.3 55.0 -60.2 -39.9 25.2 14.7 60.6 87 96 A E H 3<5S+ 0 0 145 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.856 105.8 53.4 -62.8 -34.1 24.9 17.7 62.8 88 97 A A T 3<5S- 0 0 33 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.417 130.5 -96.0 -80.2 0.9 22.0 16.0 64.6 89 98 A G T < 5 + 0 0 33 -3,-1.6 -15,-0.3 -4,-0.2 -3,-0.2 0.687 60.5 170.4 95.5 21.3 24.1 12.9 65.2 90 99 A A < - 0 0 4 -5,-2.2 -15,-0.2 -8,-0.1 -1,-0.2 -0.376 25.8-152.3 -64.5 142.3 23.2 10.7 62.2 91 100 A D - 0 0 42 -17,-3.2 25,-0.8 1,-0.2 2,-0.3 0.206 68.8 -15.1-102.1 11.8 25.5 7.6 61.9 92 101 A G B -e 116 0B 1 -18,-0.4 -16,-2.4 23,-0.2 2,-0.3 -0.906 48.2-135.6 163.4 165.2 25.1 7.3 58.2 93 102 A F B -d 76 0A 28 23,-2.2 -16,-0.2 -2,-0.3 -18,-0.0 -0.892 21.2-174.6-150.1 110.3 23.3 8.1 55.1 94 103 A I - 0 0 2 -18,-3.0 23,-0.0 -2,-0.3 -2,-0.0 -0.945 23.7-128.4-114.3 118.7 22.5 5.3 52.6 95 104 A P > - 0 0 40 0, 0.0 3,-0.7 0, 0.0 8,-0.0 -0.339 11.4-136.0 -56.5 144.7 20.9 6.1 49.2 96 105 A K T 3 S+ 0 0 109 1,-0.2 7,-0.0 -19,-0.1 -19,-0.0 0.716 106.7 61.5 -74.5 -20.2 17.8 4.0 48.4 97 106 A S T 3 S+ 0 0 117 2,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.611 81.0 113.3 -73.2 -17.7 19.2 3.6 44.9 98 107 A A S < S- 0 0 31 -3,-0.7 5,-0.0 1,-0.1 -4,-0.0 -0.247 72.9-108.5 -64.0 144.6 22.3 1.8 46.3 99 108 A D >> - 0 0 92 1,-0.1 4,-1.7 4,-0.0 3,-0.9 -0.255 33.1 -97.7 -77.3 160.7 22.8 -1.8 45.5 100 109 A P H 3> S+ 0 0 67 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.810 121.7 54.9 -42.4 -42.0 22.4 -4.7 48.0 101 110 A Q H 3> S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 104.8 51.2 -66.8 -42.2 26.1 -4.9 48.7 102 111 A V H <> S+ 0 0 51 -3,-0.9 4,-3.1 2,-0.2 5,-0.3 0.925 111.3 48.6 -58.2 -47.7 26.4 -1.3 49.7 103 112 A L H X S+ 0 0 28 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.927 112.3 49.0 -58.8 -45.7 23.5 -1.5 52.1 104 113 A I H X S+ 0 0 14 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.921 116.8 40.6 -61.0 -44.3 25.0 -4.7 53.7 105 114 A H H X S+ 0 0 105 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.878 112.7 53.5 -79.5 -31.6 28.5 -3.2 54.1 106 115 A A H X S+ 0 0 2 -4,-3.1 4,-2.9 -5,-0.2 5,-0.2 0.925 110.2 49.8 -64.1 -42.7 27.2 0.2 55.2 107 116 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.941 110.5 49.7 -61.0 -48.1 25.2 -1.6 57.9 108 117 A S H X S+ 0 0 24 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.954 113.0 46.3 -51.7 -54.3 28.3 -3.6 59.0 109 118 A L H ><>S+ 0 0 71 -4,-2.6 5,-2.3 1,-0.2 3,-0.8 0.927 113.3 48.4 -56.4 -52.9 30.4 -0.5 59.2 110 119 A I H ><5S+ 0 0 6 -4,-2.9 3,-1.6 1,-0.3 -1,-0.2 0.877 108.8 53.6 -58.2 -38.4 27.8 1.5 61.1 111 120 A L H 3<5S+ 0 0 56 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.810 106.8 54.1 -66.4 -26.0 27.3 -1.5 63.5 112 121 A E T <<5S- 0 0 146 -4,-1.4 -1,-0.3 -3,-0.8 -2,-0.2 0.311 129.0 -95.5 -87.7 6.0 31.0 -1.3 64.2 113 122 A G T < 5S+ 0 0 63 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.459 87.9 119.1 94.2 1.3 31.0 2.4 65.1 114 123 A E < - 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