==== 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 1NXX . 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 . 114 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 16.7 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 . 5 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 42.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.8 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 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 2 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 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 0 145 0, 0.0 25,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 150.1 65.7 30.7 -3.1 2 3 A K E -a 26 0A 36 23,-0.2 44,-2.3 42,-0.2 45,-1.2 -0.937 360.0-165.5-118.1 125.2 64.1 29.4 0.1 3 4 A I E -ab 27 47A 0 23,-2.7 25,-2.6 -2,-0.5 2,-0.6 -0.919 8.3-154.2-108.6 129.2 60.8 30.5 1.6 4 5 A L E -ab 28 48A 1 43,-2.5 45,-2.4 -2,-0.5 2,-0.6 -0.921 12.1-159.9 -96.4 117.3 59.6 29.8 5.1 5 6 A I E -ab 29 49A 1 23,-2.7 25,-1.8 -2,-0.6 2,-0.7 -0.902 4.0-167.3 -98.7 121.9 55.8 29.8 5.3 6 7 A V E +ab 30 50A 6 43,-3.2 45,-2.2 -2,-0.6 2,-0.3 -0.922 28.8 141.1-113.8 101.5 54.5 30.3 8.8 7 8 A D - 0 0 2 23,-1.8 23,-0.1 -2,-0.7 -2,-0.1 -0.991 41.9-155.9-146.6 128.9 50.8 29.5 8.8 8 9 A D S S+ 0 0 105 -2,-0.3 2,-0.6 1,-0.1 23,-0.1 0.506 80.6 77.6 -86.5 -3.7 48.7 27.7 11.5 9 10 A E >> - 0 0 93 1,-0.1 4,-2.1 2,-0.0 3,-0.6 -0.923 69.0-155.8-108.8 112.6 46.0 26.6 9.1 10 11 A K H 3> S+ 0 0 116 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.859 88.6 59.7 -57.6 -40.9 47.1 23.6 7.0 11 12 A P H 3> S+ 0 0 87 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.884 111.1 40.0 -51.6 -42.9 44.8 24.4 4.0 12 13 A I H <> S+ 0 0 37 -3,-0.6 4,-2.4 2,-0.2 5,-0.2 0.868 112.8 54.9 -79.6 -40.0 46.2 27.8 3.4 13 14 A S H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.919 108.1 50.7 -52.5 -45.2 49.8 26.7 4.0 14 15 A D H X S+ 0 0 69 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.890 109.4 50.0 -65.7 -37.8 49.3 24.0 1.3 15 16 A I H X S+ 0 0 81 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.925 114.9 42.7 -66.0 -43.9 48.0 26.5 -1.2 16 17 A I H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.932 114.1 51.0 -70.9 -42.9 50.9 28.9 -0.7 17 18 A K H X S+ 0 0 81 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.926 110.4 51.0 -56.7 -47.2 53.4 26.0 -0.7 18 19 A F H X S+ 0 0 118 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.908 113.7 43.5 -51.8 -49.2 52.0 24.7 -4.0 19 20 A N H X S+ 0 0 24 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.912 114.7 47.6 -75.1 -41.7 52.2 28.0 -5.7 20 21 A M H <>S+ 0 0 1 -4,-2.7 5,-2.2 2,-0.2 4,-0.4 0.837 112.9 49.8 -64.2 -37.7 55.7 28.9 -4.4 21 22 A T H ><5S+ 0 0 76 -4,-2.4 3,-2.1 -5,-0.3 -2,-0.2 0.948 104.5 58.3 -64.3 -47.9 56.9 25.4 -5.4 22 23 A K H 3<5S+ 0 0 161 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.804 106.4 50.4 -49.6 -33.3 55.4 25.8 -8.9 23 24 A E T 3<5S- 0 0 70 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.532 124.9-102.1 -83.1 -10.9 57.6 29.0 -9.2 24 25 A G T < 5S+ 0 0 60 -3,-2.1 2,-0.2 -4,-0.4 -3,-0.2 0.607 73.6 135.7 100.3 16.7 60.7 27.1 -8.2 25 26 A Y < - 0 0 30 -5,-2.2 2,-0.4 -23,-0.0 -1,-0.3 -0.636 56.0-121.3 -86.1 155.1 61.3 28.1 -4.6 26 27 A E E -a 2 0A 116 -25,-2.4 -23,-2.7 -2,-0.2 2,-0.5 -0.809 34.7-151.5 -88.7 132.8 62.2 25.6 -1.9 27 28 A V E -a 3 0A 29 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.928 20.2-179.0-119.0 128.1 59.6 25.7 0.8 28 29 A V E -a 4 0A 19 -25,-2.6 -23,-2.7 -2,-0.5 2,-0.3 -0.907 17.7-152.0-113.8 151.3 59.8 25.0 4.4 29 30 A T E -a 5 0A 35 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.875 15.0-175.9-123.6 155.1 56.7 25.3 6.7 30 31 A A E -a 6 0A 0 -25,-1.8 -23,-1.8 -2,-0.3 3,-0.0 -0.970 11.1-162.0-147.4 143.8 56.0 26.0 10.3 31 32 A F S S+ 0 0 61 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.1 0.379 71.6 24.8-116.0 1.6 52.7 25.9 12.0 32 33 A N S > S- 0 0 64 1,-0.1 4,-2.1 23,-0.0 23,-0.1 -0.911 86.9 -95.5-151.2 175.0 53.3 27.9 15.2 33 34 A G H > S+ 0 0 3 21,-0.3 4,-2.3 -2,-0.3 5,-0.2 0.864 120.6 52.3 -60.7 -42.5 55.6 30.6 16.5 34 35 A R H > S+ 0 0 165 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.944 111.9 44.7 -62.0 -48.4 58.0 28.1 18.2 35 36 A E H > S+ 0 0 67 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.896 110.5 57.6 -63.5 -36.1 58.4 26.1 14.9 36 37 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.946 109.1 43.1 -58.1 -48.7 58.8 29.4 13.0 37 38 A L H X S+ 0 0 17 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.918 115.4 49.3 -68.3 -40.3 61.7 30.5 15.1 38 39 A E H X S+ 0 0 109 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.931 113.9 45.9 -59.8 -43.7 63.3 27.0 15.0 39 40 A Q H X S+ 0 0 57 -4,-2.9 4,-2.9 1,-0.2 5,-0.5 0.878 110.2 53.5 -71.5 -36.7 62.9 26.8 11.2 40 41 A F H X S+ 0 0 22 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.929 114.2 42.0 -62.9 -45.2 64.2 30.3 10.7 41 42 A E H < S+ 0 0 131 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.917 122.0 39.4 -67.5 -46.0 67.4 29.5 12.7 42 43 A A H < S+ 0 0 81 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.834 127.1 30.8 -80.1 -31.2 67.9 26.1 11.2 43 44 A E H < S- 0 0 64 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.684 83.6-147.3-101.2 -22.5 67.0 26.8 7.6 44 45 A Q < - 0 0 157 -4,-1.6 -42,-0.2 -5,-0.5 -4,-0.1 0.963 24.3-154.1 48.5 64.0 68.0 30.5 7.1 45 46 A P - 0 0 9 0, 0.0 -42,-0.2 0, 0.0 3,-0.1 -0.202 19.1-136.0 -62.1 154.2 65.2 31.3 4.7 46 47 A D S S+ 0 0 63 -44,-2.3 2,-0.3 1,-0.3 -43,-0.2 0.686 90.5 11.1 -79.0 -22.7 65.6 34.1 2.2 47 48 A I E -b 3 0A 0 -45,-1.2 -43,-2.5 22,-0.1 2,-0.4 -0.972 67.0-147.0-156.1 146.3 62.1 35.3 2.9 48 49 A I E -bc 4 71A 0 22,-2.4 24,-2.8 -2,-0.3 2,-0.6 -0.986 1.0-160.1-118.8 127.0 59.4 34.5 5.5 49 50 A I E -bc 5 72A 2 -45,-2.4 -43,-3.2 -2,-0.4 2,-0.5 -0.936 25.9-177.0-100.8 118.0 55.6 34.6 4.9 50 51 A L E -b 6 0A 1 22,-2.8 24,-0.4 -2,-0.6 -43,-0.2 -0.774 17.7-151.9-137.5 88.9 54.3 35.0 8.4 51 52 A D 0 0 21 -45,-2.2 24,-0.2 -2,-0.5 -44,-0.0 0.083 360.0 360.0 -49.7 160.2 50.6 35.0 9.2 52 53 A L 0 0 49 22,-1.0 4,-1.6 4,-0.1 5,-0.3 0.631 360.0 360.0 -79.1 360.0 49.6 37.0 12.4 53 ! 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 54 58 A I 0 0 88 0, 0.0 -21,-0.3 0, 0.0 -18,-0.1 0.000 360.0 360.0 360.0 124.7 54.2 32.2 19.6 55 59 A D > - 0 0 83 1,-0.1 4,-1.9 -23,-0.1 3,-0.3 -0.487 360.0-112.8 -44.1 134.0 52.0 35.1 18.0 56 60 A G H > S+ 0 0 3 -4,-1.6 4,-2.1 1,-0.2 5,-0.2 0.844 114.1 52.9 -56.2 -40.9 53.0 36.5 14.6 57 61 A L H > S+ 0 0 35 -5,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.914 111.2 48.5 -64.5 -40.0 53.9 40.0 15.8 58 62 A E H > S+ 0 0 108 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.834 108.8 53.0 -68.1 -35.1 56.2 38.5 18.4 59 63 A V H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.977 110.8 46.3 -59.9 -52.9 57.9 36.2 15.9 60 64 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.3 -2,-0.2 0.925 111.4 52.7 -62.9 -43.3 58.7 39.1 13.6 61 65 A K H X S+ 0 0 111 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.3 0.932 111.2 46.6 -52.1 -46.9 60.0 41.1 16.6 62 66 A T H >X S+ 0 0 53 -4,-2.4 3,-0.8 1,-0.2 4,-0.7 0.916 110.6 52.2 -64.5 -43.4 62.3 38.2 17.6 63 67 A I H >X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 3,-1.3 0.920 104.3 55.7 -57.5 -47.8 63.6 37.7 14.1 64 68 A R H 3< S+ 0 0 70 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.638 93.7 70.5 -65.1 -19.3 64.5 41.4 13.7 65 69 A K H << S+ 0 0 149 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.894 121.7 12.4 -59.0 -40.9 66.7 41.2 16.8 66 70 A T H << S+ 0 0 117 -3,-1.3 2,-0.3 -4,-0.7 -2,-0.2 0.674 126.5 41.8-109.9 -19.7 69.1 39.0 14.8 67 71 A S < - 0 0 34 -4,-2.8 -1,-0.2 -5,-0.1 0, 0.0 -0.953 44.9-155.2-142.8 146.0 68.2 39.3 11.1 68 72 A S + 0 0 106 -2,-0.3 -4,-0.1 -3,-0.1 3,-0.1 0.101 47.9 147.5-101.0 17.2 67.0 41.6 8.3 69 73 A V - 0 0 11 -6,-0.2 -22,-0.1 1,-0.1 2,-0.1 -0.287 59.4-100.0 -48.0 132.1 65.4 38.7 6.4 70 74 A P - 0 0 9 0, 0.0 -22,-2.4 0, 0.0 2,-0.4 -0.417 39.2-160.8 -58.0 135.4 62.4 40.0 4.5 71 75 A I E -c 48 0A 0 19,-0.3 21,-3.4 -24,-0.2 22,-1.2 -0.991 9.5-168.1-124.6 129.6 59.0 39.3 6.2 72 76 A L E -cd 49 93A 0 -24,-2.8 -22,-2.8 -2,-0.4 2,-0.4 -0.964 15.6-150.9-113.5 113.8 55.7 39.4 4.4 73 77 A M E - d 0 94A 0 20,-2.6 22,-3.0 -2,-0.6 2,-0.4 -0.736 10.0-167.8 -88.4 142.4 52.8 39.3 6.8 74 78 A L E + d 0 95A 1 -24,-0.4 -22,-1.0 -2,-0.4 2,-0.3 -0.969 18.6 152.5-125.5 138.2 49.6 37.8 5.7 75 79 A S E - d 0 96A 9 20,-1.7 22,-1.6 -2,-0.4 -2,-0.0 -0.949 51.8-133.0-166.0 146.2 46.4 38.2 7.7 76 80 A A S S+ 0 0 64 -2,-0.3 2,-0.3 20,-0.3 -1,-0.1 0.789 87.4 95.5 -70.5 -27.5 42.6 38.3 7.5 77 81 A K + 0 0 122 1,-0.1 20,-0.1 -3,-0.1 -2,-0.0 -0.519 48.3 170.2 -64.1 121.9 42.8 41.5 9.7 78 82 A D + 0 0 106 -2,-0.3 -1,-0.1 18,-0.1 18,-0.1 0.159 26.2 123.0-125.8 14.4 42.8 44.4 7.3 79 83 A S S > S- 0 0 50 1,-0.1 4,-1.9 4,-0.0 5,-0.2 -0.364 71.5-111.9 -80.1 162.7 42.3 47.6 9.5 80 84 A E H > S+ 0 0 153 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.907 118.6 54.8 -57.4 -44.8 44.8 50.5 9.5 81 85 A F H > S+ 0 0 138 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 108.7 49.1 -52.7 -49.1 45.9 49.7 13.0 82 86 A D H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.913 113.8 43.7 -60.4 -48.9 46.7 46.1 12.0 83 87 A K H X S+ 0 0 78 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.897 114.5 49.6 -62.7 -45.9 48.8 47.0 8.9 84 88 A V H X S+ 0 0 60 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.906 111.7 46.9 -65.3 -44.3 50.7 49.8 10.6 85 89 A I H X S+ 0 0 37 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.906 110.6 52.0 -69.7 -43.5 51.7 47.7 13.6 86 90 A G H <>S+ 0 0 0 -4,-2.1 5,-2.0 -5,-0.2 4,-0.3 0.958 114.1 45.0 -48.8 -52.3 52.8 44.8 11.4 87 91 A L H ><5S+ 0 0 82 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.894 112.3 50.4 -62.4 -40.8 55.0 47.2 9.4 88 92 A E H 3<5S+ 0 0 151 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.860 105.5 56.2 -69.3 -33.7 56.3 49.0 12.5 89 93 A L T 3<5S- 0 0 43 -4,-2.3 -1,-0.3 -5,-0.2 -25,-0.2 0.437 135.3 -81.6 -79.5 -1.6 57.3 45.7 14.2 90 94 A G T < 5S+ 0 0 17 -3,-1.0 -19,-0.3 -4,-0.3 -3,-0.2 0.315 78.1 143.0 128.6 -6.4 59.4 44.9 11.1 91 95 A A < - 0 0 9 -5,-2.0 -1,-0.3 -6,-0.2 -19,-0.2 -0.202 37.6-153.6 -52.8 143.6 57.3 43.5 8.3 92 96 A D S S+ 0 0 81 -21,-3.4 2,-0.3 1,-0.3 -20,-0.2 0.624 79.2 5.7 -90.9 -20.9 58.4 44.6 4.8 93 97 A D E -d 72 0A 32 -22,-1.2 -20,-2.6 -7,-0.1 2,-0.4 -0.978 61.5-150.6-156.6 160.3 54.9 44.1 3.5 94 98 A Y E -d 73 0A 19 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.971 14.8-176.9-144.7 124.0 51.5 43.2 4.7 95 99 A V E -d 74 0A 9 -22,-3.0 -20,-1.7 -2,-0.4 2,-0.3 -0.931 18.7-131.2-126.2 138.1 48.9 41.4 2.5 96 100 A T E -d 75 0A 44 -2,-0.4 -20,-0.3 -22,-0.2 -18,-0.1 -0.651 29.8 -89.6 -96.7 151.6 45.4 40.5 3.5 97 101 A K S S+ 0 0 44 -22,-1.6 2,-0.1 -2,-0.3 3,-0.0 -0.847 106.7 49.9 -96.4 135.2 43.5 37.2 3.2 98 102 A P S S+ 0 0 131 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.448 86.6 175.2 -80.0 150.0 42.0 36.4 0.9 99 103 A F - 0 0 39 -2,-0.1 2,-0.4 -4,-0.1 -2,-0.1 -0.749 35.7-108.1-120.3 164.8 44.8 37.1 -1.5 100 104 A S > - 0 0 57 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.764 22.8-138.6 -91.0 131.9 45.4 36.7 -5.2 101 105 A N H > S+ 0 0 68 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.918 104.0 49.3 -58.8 -43.6 48.0 33.9 -5.9 102 106 A R H > S+ 0 0 206 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.842 110.0 50.9 -65.1 -36.8 49.7 36.1 -8.6 103 107 A E H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.901 108.7 50.3 -67.5 -44.2 49.8 39.1 -6.4 104 108 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.943 112.1 49.3 -60.2 -44.3 51.5 37.2 -3.5 105 109 A Q H X S+ 0 0 44 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.880 111.3 48.7 -59.2 -43.3 54.0 35.8 -6.1 106 110 A A H X S+ 0 0 56 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.900 111.6 49.2 -65.5 -36.0 54.7 39.3 -7.4 107 111 A R H X S+ 0 0 91 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.896 110.3 50.7 -74.1 -37.4 55.2 40.7 -3.9 108 112 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.924 112.3 48.3 -61.9 -44.4 57.6 37.8 -2.9 109 113 A K H X S+ 0 0 124 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.939 110.1 50.9 -63.0 -45.2 59.6 38.6 -6.0 110 114 A A H X S+ 0 0 35 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.887 112.4 47.7 -60.0 -40.5 59.7 42.3 -5.3 111 115 A L H < S+ 0 0 19 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.868 112.5 47.1 -68.4 -39.1 60.9 41.6 -1.8 112 116 A L H >< S+ 0 0 26 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.890 110.5 53.2 -69.3 -41.1 63.6 39.2 -3.0 113 117 A R H 3< S+ 0 0 194 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.779 109.3 50.5 -56.1 -34.8 64.8 41.7 -5.7 114 118 A R T 3< 0 0 222 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.532 360.0 360.0 -91.9 -10.3 65.1 44.4 -3.1 115 119 A S < 0 0 97 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 -0.002 360.0 360.0-124.3 360.0 67.2 42.4 -0.6