==== 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 SIGNALING PROTEIN 11-FEB-03 1NXO . COMPND 2 MOLECULE: DNA-BINDING RESPONSE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR C.J.BENT,N.W.ISAACS,T.J.MITCHELL,A.RIBOLDI-TUNNICLIFFE . 116 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6868.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 18.1 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 . 6 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 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 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 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 0 115 0, 0.0 25,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 155.9 25.1 30.7 -3.1 2 3 A K E -a 26 0A 41 23,-0.2 44,-2.2 42,-0.1 45,-1.2 -0.918 360.0-166.3-117.3 128.0 23.6 29.4 0.1 3 4 A I E -ab 27 47A 0 23,-2.7 25,-2.5 -2,-0.4 2,-0.6 -0.943 9.3-153.0-117.2 127.8 20.3 30.5 1.6 4 5 A L E -ab 28 48A 0 43,-2.4 45,-2.6 -2,-0.5 2,-0.6 -0.917 11.7-159.9 -97.8 121.1 19.2 29.8 5.1 5 6 A I E -ab 29 49A 0 23,-2.9 25,-2.2 -2,-0.6 2,-0.7 -0.901 4.7-168.8-104.8 117.5 15.4 29.8 5.3 6 7 A V E +ab 30 50A 1 43,-3.3 45,-3.0 -2,-0.6 2,-0.3 -0.932 28.4 140.6-109.7 104.5 14.2 30.4 8.8 7 8 A D E - b 0 51A 0 23,-2.3 45,-0.2 -2,-0.7 6,-0.1 -0.958 42.7-155.8-149.3 131.2 10.4 29.6 8.9 8 9 A D S S+ 0 0 62 43,-1.2 2,-0.6 -2,-0.3 44,-0.1 0.478 80.0 79.0 -90.6 0.5 8.4 27.8 11.6 9 10 A E >> - 0 0 73 42,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.933 67.8-157.0-109.8 109.7 5.6 26.8 9.1 10 11 A K H 3> S+ 0 0 110 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.833 87.4 58.5 -53.7 -45.3 6.7 23.8 7.1 11 12 A P H 3> S+ 0 0 90 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.918 112.8 39.5 -53.4 -43.1 4.3 24.4 4.1 12 13 A I H <> S+ 0 0 22 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.886 112.4 55.2 -81.4 -35.7 5.8 27.9 3.4 13 14 A S H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.915 108.7 51.8 -48.8 -47.8 9.4 26.7 4.1 14 15 A D H X S+ 0 0 63 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.893 108.9 48.0 -64.2 -40.3 8.8 24.1 1.5 15 16 A I H X S+ 0 0 85 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.951 115.4 43.7 -65.5 -47.0 7.5 26.6 -1.1 16 17 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.919 114.2 51.6 -65.9 -42.0 10.5 28.9 -0.6 17 18 A K H X S+ 0 0 82 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.932 111.0 47.6 -57.4 -48.0 12.9 26.0 -0.5 18 19 A F H X S+ 0 0 121 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.901 114.6 46.5 -57.7 -46.2 11.5 24.6 -3.8 19 20 A N H X S+ 0 0 27 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.911 114.1 45.3 -72.7 -42.2 11.7 28.0 -5.5 20 21 A M H <>S+ 0 0 0 -4,-2.9 5,-2.3 2,-0.2 4,-0.2 0.838 113.0 52.1 -66.1 -37.0 15.2 28.9 -4.3 21 22 A T H ><5S+ 0 0 76 -4,-2.4 3,-2.3 -5,-0.3 -2,-0.2 0.937 105.6 54.0 -61.4 -48.4 16.4 25.4 -5.3 22 23 A K H 3<5S+ 0 0 154 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.819 106.0 55.5 -54.7 -31.0 14.9 25.8 -8.8 23 24 A E T 3<5S- 0 0 94 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.490 124.6-103.6 -79.6 -7.6 17.0 29.0 -8.9 24 25 A G T < 5S+ 0 0 63 -3,-2.3 2,-0.2 1,-0.3 -3,-0.2 0.505 74.2 137.1 97.3 7.0 20.3 27.1 -8.2 25 26 A Y < - 0 0 29 -5,-2.3 2,-0.5 -23,-0.0 -1,-0.3 -0.600 56.7-123.3 -81.2 148.5 20.8 28.1 -4.5 26 27 A E E -a 2 0A 115 -25,-2.5 -23,-2.7 -2,-0.2 2,-0.4 -0.795 35.4-150.8 -80.9 129.6 21.8 25.6 -1.9 27 28 A V E +a 3 0A 24 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.907 21.1 179.7-112.9 130.9 19.1 25.7 0.8 28 29 A V E -a 4 0A 17 -25,-2.5 -23,-2.9 -2,-0.4 2,-0.3 -0.933 17.7-151.8-119.4 148.4 19.4 25.1 4.5 29 30 A T E -a 5 0A 33 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.895 15.0-174.9-124.5 149.1 16.3 25.3 6.8 30 31 A A E -a 6 0A 0 -25,-2.2 -23,-2.3 -2,-0.3 3,-0.1 -0.985 9.3-164.1-137.6 144.6 15.6 26.2 10.4 31 32 A F S S+ 0 0 60 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.1 0.382 70.8 21.6-115.4 2.6 12.2 26.0 12.1 32 33 A N S > S- 0 0 60 20,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.922 87.9 -91.8-153.2 178.5 12.8 28.0 15.3 33 34 A G H > S+ 0 0 15 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.869 121.5 50.8 -64.3 -40.3 15.2 30.7 16.7 34 35 A R H > S+ 0 0 184 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.959 112.5 45.5 -64.2 -51.3 17.6 28.2 18.2 35 36 A E H > S+ 0 0 67 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.892 109.3 58.8 -58.5 -39.4 17.9 26.2 14.9 36 37 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.945 110.2 41.1 -53.8 -50.9 18.3 29.6 13.1 37 38 A L H X S+ 0 0 51 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.879 115.1 51.0 -68.6 -38.8 21.3 30.6 15.1 38 39 A E H X S+ 0 0 113 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.927 113.6 44.6 -61.8 -47.0 22.8 27.0 15.0 39 40 A Q H X S+ 0 0 56 -4,-3.0 4,-2.6 2,-0.2 5,-0.4 0.873 111.0 54.1 -67.1 -38.9 22.4 26.9 11.2 40 41 A F H X S+ 0 0 15 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.947 113.4 42.7 -58.1 -45.9 23.8 30.4 10.8 41 42 A E H < S+ 0 0 123 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.861 121.8 37.9 -70.7 -39.6 26.9 29.5 12.7 42 43 A A H < S+ 0 0 79 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.804 126.5 33.1 -82.2 -38.9 27.5 26.1 11.2 43 44 A E H < S- 0 0 61 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.655 83.3-148.1-100.0 -16.7 26.5 26.8 7.6 44 45 A Q < - 0 0 156 -4,-1.7 -42,-0.1 -5,-0.4 -4,-0.1 0.922 24.3-154.8 47.5 59.3 27.6 30.5 7.1 45 46 A P - 0 0 8 0, 0.0 -42,-0.2 0, 0.0 3,-0.1 -0.200 19.1-135.0 -63.5 153.6 24.8 31.2 4.7 46 47 A D S S+ 0 0 54 -44,-2.2 2,-0.3 1,-0.3 -43,-0.2 0.684 90.1 10.4 -78.1 -26.2 25.1 34.1 2.1 47 48 A I E -b 3 0A 0 -45,-1.2 -43,-2.4 23,-0.2 2,-0.4 -0.979 68.0-146.5-152.3 148.6 21.6 35.3 2.9 48 49 A I E -bc 4 72A 0 23,-2.7 25,-2.9 -2,-0.3 2,-0.5 -0.984 1.3-158.0-121.3 129.0 19.0 34.6 5.5 49 50 A I E -bc 5 73A 0 -45,-2.6 -43,-3.3 -2,-0.4 2,-0.5 -0.943 19.4-162.5 -99.9 122.8 15.2 34.7 4.9 50 51 A L E +bc 6 74A 3 23,-2.6 25,-2.6 -2,-0.5 -43,-0.2 -0.943 27.1 151.2-122.6 112.7 13.6 35.1 8.4 51 52 A D E +b 7 0A 7 -45,-3.0 -43,-1.2 -2,-0.5 2,-0.3 -0.600 15.0 155.8-141.9 67.1 9.9 34.3 9.0 52 53 A L 0 0 26 -45,-0.2 5,-0.2 -44,-0.1 6,-0.1 -0.812 360.0 360.0 -94.2 146.9 9.3 33.3 12.6 53 54 A M 0 0 181 -2,-0.3 23,-0.0 3,-0.1 -2,-0.0 -0.859 360.0 360.0-124.6 360.0 5.8 33.7 14.2 54 ! 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 55 58 A I > 0 0 152 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -38.8 9.5 38.7 18.7 56 59 A D H > + 0 0 106 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.896 360.0 52.5 -60.8 -42.2 11.8 35.6 18.3 57 60 A G H > S+ 0 0 8 -5,-0.2 4,-2.2 1,-0.2 5,-0.2 0.901 107.5 52.1 -60.8 -41.6 12.5 36.7 14.7 58 61 A L H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 110.7 47.2 -64.2 -40.1 13.6 40.1 15.9 59 62 A E H X S+ 0 0 115 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.770 109.1 54.7 -68.1 -33.6 16.0 38.6 18.5 60 63 A V H X S+ 0 0 5 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.967 112.0 43.4 -62.5 -48.7 17.5 36.2 15.9 61 64 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.935 113.9 50.9 -66.8 -45.9 18.2 39.2 13.6 62 65 A K H X S+ 0 0 83 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.921 111.8 47.9 -51.0 -49.6 19.6 41.2 16.6 63 66 A T H >< S+ 0 0 47 -4,-2.4 3,-0.9 1,-0.2 4,-0.4 0.897 109.6 51.3 -65.3 -43.0 21.8 38.3 17.6 64 67 A I H >X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-1.8 0.917 103.7 59.1 -57.5 -43.9 23.2 37.7 14.1 65 68 A R H 3< S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.629 89.0 74.4 -65.1 -15.8 24.1 41.5 13.7 66 69 A K T << S+ 0 0 153 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.791 121.6 6.5 -63.0 -29.1 26.4 41.2 16.8 67 70 A T T <4 S+ 0 0 106 -3,-1.8 2,-0.4 -4,-0.4 -2,-0.2 0.450 123.4 56.2-130.9 -8.8 28.9 39.3 14.6 68 71 A S < - 0 0 34 -4,-1.9 -1,-0.2 -5,-0.1 0, 0.0 -0.985 43.3-162.4-142.6 144.0 27.7 39.3 11.0 69 72 A S + 0 0 108 -2,-0.4 3,-0.1 -3,-0.1 -4,-0.1 0.280 46.8 144.1 -97.0 8.5 26.7 41.6 8.1 70 73 A V - 0 0 11 -6,-0.2 -23,-0.2 1,-0.1 -24,-0.1 -0.163 61.0 -99.6 -48.9 131.4 25.0 38.7 6.3 71 74 A P - 0 0 7 0, 0.0 -23,-2.7 0, 0.0 2,-0.5 -0.362 37.6-160.6 -55.3 134.1 21.9 40.0 4.4 72 75 A I E -c 48 0A 0 19,-0.3 21,-3.1 -25,-0.2 22,-1.1 -0.985 7.5-167.6-122.9 122.1 18.6 39.3 6.2 73 76 A L E -cd 49 94A 0 -25,-2.9 -23,-2.6 -2,-0.5 2,-0.3 -0.939 15.6-150.4-108.4 110.0 15.3 39.4 4.3 74 77 A M E -cd 50 95A 17 20,-2.6 22,-3.0 -2,-0.7 2,-0.4 -0.673 11.3-169.6 -83.8 139.8 12.5 39.5 6.8 75 78 A L E + d 0 96A 2 -25,-2.6 2,-0.3 -2,-0.3 22,-0.2 -0.983 17.9 155.5-130.4 130.3 9.2 37.9 5.7 76 79 A S E - d 0 97A 21 20,-1.9 22,-2.0 -2,-0.4 -23,-0.1 -0.985 51.9-133.6-159.9 145.4 6.1 38.3 7.7 77 80 A A S S+ 0 0 66 -2,-0.3 2,-0.3 20,-0.3 -1,-0.1 0.764 88.3 93.8 -68.8 -25.0 2.3 38.4 7.6 78 81 A K + 0 0 125 1,-0.1 -2,-0.1 -3,-0.1 20,-0.1 -0.581 48.0 170.4 -74.1 125.1 2.5 41.6 9.7 79 82 A D + 0 0 109 -2,-0.3 -1,-0.1 18,-0.1 18,-0.1 0.136 26.7 126.4-127.3 14.7 2.4 44.5 7.3 80 83 A S S > S- 0 0 48 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.304 70.1-114.2 -73.9 161.6 2.0 47.6 9.5 81 84 A E H > S+ 0 0 166 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 118.5 53.7 -59.2 -43.1 4.4 50.6 9.4 82 85 A F H > S+ 0 0 134 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.920 108.9 48.7 -60.4 -44.4 5.5 49.8 12.9 83 86 A D H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 113.6 44.3 -64.7 -45.3 6.4 46.3 11.9 84 87 A K H X S+ 0 0 81 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.940 114.0 50.6 -65.0 -47.5 8.4 47.1 8.8 85 88 A V H X S+ 0 0 61 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.916 112.5 44.4 -59.7 -45.9 10.2 50.0 10.5 86 89 A I H X S+ 0 0 45 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.879 110.2 55.1 -75.4 -29.7 11.3 47.9 13.5 87 90 A G H <>S+ 0 0 0 -4,-1.8 5,-1.8 -5,-0.3 4,-0.3 0.977 113.4 42.9 -57.5 -52.6 12.3 44.9 11.4 88 91 A L H ><5S+ 0 0 83 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.890 112.9 51.7 -61.4 -42.6 14.6 47.2 9.4 89 92 A E H 3<5S+ 0 0 152 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.897 104.4 57.1 -63.8 -37.7 15.9 49.0 12.4 90 93 A L T 3<5S- 0 0 38 -4,-2.4 -1,-0.3 -5,-0.2 -25,-0.2 0.455 135.7 -83.0 -75.2 -6.1 16.9 45.7 14.1 91 94 A G T < 5S+ 0 0 17 -3,-1.2 -19,-0.3 1,-0.3 -3,-0.2 0.293 78.9 144.1 129.0 -4.2 19.0 44.9 11.1 92 95 A A < - 0 0 7 -5,-1.8 -1,-0.3 -6,-0.2 -19,-0.2 -0.277 37.3-154.4 -53.7 138.1 16.8 43.5 8.3 93 96 A D S S+ 0 0 78 -21,-3.1 2,-0.3 1,-0.3 -20,-0.2 0.623 78.9 5.1 -88.2 -20.6 18.0 44.6 4.9 94 97 A D E -d 73 0A 31 -22,-1.1 -20,-2.6 -7,-0.1 2,-0.4 -0.964 61.8-151.6-159.3 160.7 14.5 44.1 3.5 95 98 A Y E -d 74 0A 24 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.953 14.5-176.1-145.9 123.2 11.1 43.3 4.7 96 99 A V E -d 75 0A 9 -22,-3.0 -20,-1.9 -2,-0.4 2,-0.2 -0.935 19.3-128.8-127.8 137.8 8.5 41.5 2.6 97 100 A T E -d 76 0A 43 -2,-0.4 -20,-0.3 -22,-0.2 -18,-0.1 -0.616 31.2 -90.4 -93.9 148.8 4.9 40.7 3.5 98 101 A K S S+ 0 0 33 -22,-2.0 2,-0.2 -2,-0.2 3,-0.0 -0.853 105.4 48.5 -96.9 138.0 3.1 37.4 3.2 99 102 A P S S+ 0 0 130 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.516 88.3 176.1 -80.0 156.4 1.5 36.3 1.0 100 103 A F - 0 0 42 -2,-0.2 2,-0.4 -4,-0.1 -2,-0.1 -0.769 35.3-103.4-126.8 163.9 4.3 37.2 -1.5 101 104 A S > - 0 0 55 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.743 22.3-142.4 -87.8 133.5 5.1 36.7 -5.1 102 105 A N H > S+ 0 0 70 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.928 102.9 49.5 -63.0 -41.8 7.6 34.0 -5.8 103 106 A R H > S+ 0 0 218 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 110.9 49.2 -64.2 -38.8 9.2 36.0 -8.6 104 107 A E H > S+ 0 0 82 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.920 109.0 52.0 -68.4 -42.9 9.5 39.1 -6.4 105 108 A L H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.962 111.5 48.0 -57.9 -47.7 11.0 37.2 -3.6 106 109 A Q H X S+ 0 0 13 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.896 111.4 50.2 -56.2 -46.6 13.6 35.8 -6.1 107 110 A A H X S+ 0 0 53 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.904 111.6 47.6 -61.7 -41.0 14.3 39.3 -7.4 108 111 A R H X S+ 0 0 91 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.880 110.0 51.1 -72.8 -37.2 14.8 40.7 -3.9 109 112 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.950 112.4 48.8 -59.4 -46.8 17.2 37.9 -2.9 110 113 A K H X S+ 0 0 109 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.915 110.2 50.6 -57.2 -44.5 19.1 38.6 -6.1 111 114 A A H X S+ 0 0 36 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.900 111.1 48.6 -64.1 -40.5 19.2 42.3 -5.3 112 115 A L H X S+ 0 0 21 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.885 111.7 47.9 -66.1 -41.1 20.5 41.7 -1.8 113 116 A L H < S+ 0 0 14 -4,-2.1 3,-0.4 2,-0.2 -1,-0.2 0.816 108.6 54.8 -69.8 -34.4 23.2 39.3 -2.9 114 117 A R H >< S+ 0 0 188 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.891 110.3 48.7 -57.9 -42.0 24.4 41.8 -5.7 115 118 A R H 3< S+ 0 0 228 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.559 114.2 42.3 -82.5 -16.1 24.7 44.4 -3.0 116 119 A S T 3< 0 0 45 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.068 360.0 360.0-115.3 19.6 26.7 42.3 -0.5 117 120 A Q < 0 0 184 -3,-0.9 -4,-0.1 -5,-0.1 -3,-0.0 -0.476 360.0 360.0 97.3 360.0 29.0 40.7 -3.2