==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 22-MAY-07 2Q0J . COMPND 2 MOLECULE: QUINOLONE SIGNAL RESPONSE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR S.YU,V.JENSEN,I.FELDMANN,S.HAUSSLER,W.BLANKENFELDT . 611 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 37 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 5 0 1 1 0 0 0 3 4 1 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 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 . 0 6 4 4 4 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 . 2 0 0 0 0 4 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 -8 A S > 0 0 133 0, 0.0 3,-0.8 0, 0.0 565,-0.1 0.000 360.0 360.0 360.0 149.3 36.3 17.0 11.1 2 -7 A G T 3 + 0 0 57 563,-0.4 2,-0.8 1,-0.2 4,-0.2 0.999 360.0 71.0 -66.0 -65.1 39.0 14.7 12.6 3 -6 A L T 3 S+ 0 0 92 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 0.294 78.2 81.0 -21.8 -11.9 38.4 11.9 10.0 4 -5 A V S < S+ 0 0 92 -2,-0.8 -1,-0.3 -3,-0.8 -2,-0.1 0.803 101.9 32.8 -65.2 -33.5 40.0 14.2 7.4 5 -4 A P S S+ 0 0 101 0, 0.0 2,-0.4 0, 0.0 -2,-0.2 0.460 112.4 58.2-114.4 -6.2 43.5 13.2 8.6 6 -3 A R - 0 0 66 -4,-0.2 2,-1.3 2,-0.0 0, 0.0 -0.990 65.2-137.2-132.9 136.6 43.2 9.5 9.7 7 -2 A G + 0 0 94 -2,-0.4 2,-0.2 -3,-0.0 -3,-0.1 -0.725 46.9 162.5 -84.4 81.9 42.1 6.3 8.0 8 -1 A S - 0 0 81 -2,-1.3 2,-0.5 -5,-0.1 556,-0.0 -0.507 47.2 -93.2 -92.3 171.0 40.0 4.9 10.9 9 0 A H - 0 0 108 -2,-0.2 2,-0.4 2,-0.0 -1,-0.0 -0.720 39.2-141.3 -86.9 127.9 37.4 2.1 10.8 10 1 A M - 0 0 97 -2,-0.5 3,-0.1 1,-0.1 555,-0.0 -0.779 13.2-164.5 -93.0 133.9 34.0 3.6 10.2 11 2 A L S S+ 0 0 10 -2,-0.4 224,-2.3 1,-0.2 2,-0.4 0.653 81.4 43.4 -87.5 -20.8 31.0 2.0 12.1 12 3 A R E -A 234 0A 43 222,-0.2 2,-0.6 226,-0.0 222,-0.2 -0.996 69.3-152.6-129.8 127.6 28.5 3.7 9.9 13 4 A L E +A 233 0A 25 220,-2.7 220,-2.1 -2,-0.4 6,-0.0 -0.919 28.2 160.9 -96.3 117.3 28.6 4.1 6.1 14 5 A S + 0 0 47 -2,-0.6 15,-0.2 218,-0.2 -1,-0.1 0.137 35.6 90.7-132.9 20.5 26.7 7.2 5.3 15 6 A A S S- 0 0 60 3,-0.1 10,-0.2 13,-0.1 13,-0.1 -0.939 77.5-104.9-117.3 145.7 27.6 8.5 1.9 16 7 A P S S+ 0 0 64 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.276 80.8 60.0 -58.9 150.0 26.0 7.6 -1.5 17 8 A G E S-G 25 0B 8 8,-2.4 8,-2.5 0, 0.0 2,-0.2 -0.796 96.0 -7.3 123.3-165.0 28.0 5.2 -3.6 18 9 A Q E +G 24 0B 106 -2,-0.3 6,-0.3 6,-0.2 3,-0.1 -0.419 46.9 171.4 -73.7 126.1 29.2 1.7 -3.2 19 10 A L E S- 0 0 23 4,-3.0 2,-0.3 1,-0.4 5,-0.2 0.716 70.7 -8.1-100.0 -33.2 28.8 0.1 0.2 20 11 A D E > S-G 23 0B 51 3,-1.8 3,-1.2 0, 0.0 -1,-0.4 -0.887 88.1 -80.4-154.7 175.8 29.8 -3.5 -0.6 21 12 A D T 3 S+ 0 0 152 1,-0.3 3,-0.0 -2,-0.3 -3,-0.0 0.812 131.2 26.9 -57.5 -35.5 30.5 -5.6 -3.7 22 13 A D T 3 S+ 0 0 16 14,-0.1 15,-2.0 1,-0.0 2,-0.4 0.331 113.7 74.4-105.6 4.8 26.9 -6.0 -4.4 23 14 A L E < +GH 20 36B 0 -3,-1.2 -4,-3.0 13,-0.2 -3,-1.8 -0.981 45.6 178.5-140.7 129.5 25.3 -2.9 -2.8 24 15 A C E -GH 18 35B 5 11,-2.1 11,-2.2 -2,-0.4 2,-0.6 -0.948 24.8-134.2-127.4 150.2 25.0 0.8 -3.4 25 16 A L E -GH 17 34B 0 -8,-2.5 -8,-2.4 -2,-0.3 2,-0.4 -0.930 28.3-162.1-100.1 121.5 23.3 3.6 -1.6 26 17 A L E - H 0 33B 0 7,-3.3 7,-1.7 -2,-0.6 2,-0.5 -0.860 48.0 -12.1-105.7 141.6 21.4 5.8 -4.0 27 18 A G S S+ 0 0 5 29,-0.4 2,-0.4 -2,-0.4 -2,-0.1 -0.625 113.5 1.3 86.5-124.3 20.1 9.4 -3.4 28 19 A D > - 0 0 32 3,-0.5 3,-1.3 -2,-0.5 203,-0.1 -0.912 51.1-143.5-114.2 128.9 20.1 10.8 0.1 29 20 A V T 3 S+ 0 0 17 -2,-0.4 202,-2.8 1,-0.3 203,-0.3 0.777 102.3 67.4 -60.1 -26.7 21.4 9.0 3.3 30 21 A Q T 3 S+ 0 0 56 1,-0.3 -1,-0.3 200,-0.2 202,-0.1 0.888 125.6 6.7 -59.2 -38.7 18.6 10.7 5.1 31 22 A V S < S- 0 0 2 -3,-1.3 -3,-0.5 199,-0.1 19,-0.3 -0.614 96.0-170.7-144.4 70.0 16.1 8.6 3.1 32 23 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 17,-0.3 -0.298 20.7-154.2 -77.7 155.3 18.2 6.1 1.2 33 24 A V E -H 26 0B 0 -7,-1.7 -7,-3.3 15,-0.1 2,-0.3 -0.969 20.6-144.6-119.9 134.9 17.3 3.7 -1.6 34 25 A F E -HI 25 46B 0 12,-3.1 12,-2.3 -2,-0.4 2,-0.4 -0.781 4.7-151.8-106.8 145.5 19.6 0.7 -1.9 35 26 A L E -HI 24 45B 1 -11,-2.2 -11,-2.1 -2,-0.3 2,-0.4 -0.992 6.5-164.9-119.0 122.8 20.6 -1.1 -5.1 36 27 A L E -HI 23 44B 0 8,-3.0 8,-2.3 -2,-0.4 2,-0.8 -0.899 16.0-141.0-106.0 129.6 21.6 -4.8 -5.2 37 28 A R E + I 0 43B 115 -15,-2.0 6,-0.2 -2,-0.4 3,-0.1 -0.839 24.6 174.7 -85.7 107.3 23.4 -6.2 -8.2 38 29 A L E - 0 0 2 4,-1.9 119,-0.4 -2,-0.8 2,-0.3 0.731 61.5 -26.2 -84.4 -21.8 21.7 -9.6 -8.7 39 30 A G E > S- I 0 42B 13 3,-1.7 3,-0.8 -3,-0.1 -1,-0.2 -0.924 81.0 -68.5-171.3-177.4 23.5 -10.4 -11.9 40 31 A E T 3 S+ 0 0 183 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.887 134.9 17.8 -63.0 -35.0 25.3 -9.2 -15.0 41 32 A A T 3 S+ 0 0 52 -3,-0.0 2,-0.3 24,-0.0 -1,-0.2 -0.221 115.1 79.9-133.2 41.6 21.9 -7.9 -16.2 42 33 A S E < +I 39 0B 22 -3,-0.8 -4,-1.9 29,-0.1 -3,-1.7 -0.960 45.2 169.5-157.9 136.2 19.7 -7.8 -13.1 43 34 A W E -Ij 37 71B 14 27,-2.1 29,-2.8 -2,-0.3 30,-1.3 -0.948 15.7-153.1-144.8 157.1 19.2 -5.5 -10.1 44 35 A A E -Ij 36 73B 0 -8,-2.3 -8,-3.0 -2,-0.3 2,-0.3 -0.969 10.0-145.9-131.2 150.4 16.9 -4.9 -7.2 45 36 A L E -Ij 35 74B 0 28,-2.2 30,-2.7 -2,-0.3 2,-0.4 -0.889 10.5-156.0-108.1 147.2 16.1 -1.8 -5.3 46 37 A V E +Ij 34 75B 0 -12,-2.3 -12,-3.1 -2,-0.3 30,-0.2 -0.998 59.9 19.5-129.6 126.6 15.4 -1.8 -1.5 47 38 A E - 0 0 3 28,-2.8 -13,-0.1 -2,-0.4 37,-0.1 0.368 66.5-128.8 86.4 140.3 13.3 1.0 0.2 48 39 A G - 0 0 0 35,-1.0 38,-2.5 30,-0.2 39,-0.3 0.428 37.2-166.4-106.9 -1.2 10.9 3.3 -1.6 49 40 A G - 0 0 1 33,-0.4 36,-2.3 -17,-0.3 35,-0.6 0.153 31.4 -48.5 65.4-171.4 11.9 6.8 -0.4 50 41 A I > - 0 0 0 -19,-0.3 3,-1.6 35,-0.2 32,-0.1 -0.901 45.8-123.4-109.8 144.5 10.3 10.2 -0.7 51 42 A S G > S+ 0 0 2 -2,-0.4 3,-1.9 30,-0.3 -1,-0.1 0.808 104.8 62.8 -55.3 -42.7 8.9 11.5 -3.9 52 43 A R G 3 S+ 0 0 9 1,-0.3 3,-0.4 70,-0.2 -1,-0.3 0.669 95.4 62.8 -62.3 -17.5 11.0 14.7 -4.1 53 44 A D G <> + 0 0 4 -3,-1.6 4,-3.4 1,-0.2 5,-0.3 0.327 69.6 112.8 -87.0 6.4 14.2 12.6 -4.3 54 45 A A H <> S+ 0 0 2 -3,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.878 80.7 38.7 -46.4 -48.5 13.1 11.1 -7.6 55 46 A E H > S+ 0 0 97 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.865 115.2 53.4 -78.9 -30.3 15.8 12.8 -9.7 56 47 A L H > S+ 0 0 83 -4,-0.3 4,-1.6 2,-0.2 -29,-0.4 0.965 115.7 39.5 -63.1 -51.0 18.4 12.4 -7.1 57 48 A V H X S+ 0 0 0 -4,-3.4 4,-2.9 1,-0.2 3,-0.3 0.950 114.4 54.5 -65.1 -46.9 17.8 8.7 -6.8 58 49 A W H X S+ 0 0 49 -4,-3.0 4,-2.8 -5,-0.3 -2,-0.2 0.897 107.4 49.5 -54.7 -47.7 17.3 8.3 -10.6 59 50 A A H X S+ 0 0 64 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.863 113.7 46.2 -58.2 -38.1 20.7 9.9 -11.4 60 51 A D H X S+ 0 0 38 -4,-1.6 4,-1.1 -3,-0.3 3,-0.3 0.908 110.8 52.5 -73.1 -42.3 22.5 7.6 -8.9 61 52 A L H >X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 3,-0.7 0.941 109.1 50.6 -55.0 -45.9 20.6 4.6 -10.3 62 53 A C H 3< S+ 0 0 52 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.750 100.0 64.5 -67.6 -24.6 21.8 5.6 -13.8 63 54 A R H 3< S+ 0 0 164 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.896 117.5 26.5 -60.8 -40.2 25.4 5.9 -12.6 64 55 A W H << S+ 0 0 64 -4,-1.1 2,-0.6 -3,-0.7 -2,-0.2 0.712 120.4 54.2 -95.6 -26.7 25.4 2.1 -11.8 65 56 A V < - 0 0 2 -4,-2.1 -1,-0.2 -5,-0.2 6,-0.0 -0.943 54.0-173.3-121.4 106.4 22.8 0.7 -14.2 66 57 A A S S+ 0 0 108 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.1 0.824 85.9 37.1 -62.7 -34.8 23.3 1.5 -18.0 67 58 A D > - 0 0 66 1,-0.1 3,-2.5 2,-0.0 -1,-0.2 -0.870 64.8-167.9-128.3 98.0 19.9 -0.1 -18.8 68 59 A P G > S+ 0 0 24 0, 0.0 3,-1.5 0, 0.0 28,-0.3 0.615 83.0 79.8 -62.3 -14.2 17.0 0.4 -16.2 69 60 A S G 3 S+ 0 0 34 1,-0.2 25,-0.1 25,-0.1 24,-0.0 0.673 85.1 67.0 -60.9 -14.1 15.0 -2.3 -18.0 70 61 A Q G < S+ 0 0 46 -3,-2.5 -27,-2.1 -28,-0.1 2,-0.8 0.398 71.6 100.7 -86.9 -0.0 17.3 -4.6 -15.9 71 62 A V E < +j 43 0B 0 -3,-1.5 25,-0.2 -29,-0.2 -27,-0.2 -0.818 45.3 169.2 -86.9 112.1 15.9 -3.5 -12.5 72 63 A H E + 0 0 57 -29,-2.8 26,-1.8 -2,-0.8 2,-0.3 0.726 51.1 32.3-103.4 -23.9 13.6 -6.5 -11.8 73 64 A Y E -jk 44 98B 62 -30,-1.3 -28,-2.2 24,-0.3 2,-0.3 -0.934 47.1-169.0-140.2 154.0 12.5 -6.0 -8.1 74 65 A W E -jk 45 99B 0 24,-1.9 26,-2.7 -2,-0.3 2,-0.4 -0.873 17.6-154.7-143.1 106.2 11.8 -3.3 -5.6 75 66 A L E -jk 46 100B 0 -30,-2.7 -28,-2.8 -2,-0.3 2,-0.4 -0.677 8.4-165.2 -88.1 137.2 11.4 -4.4 -2.0 76 67 A I - 0 0 0 24,-2.4 26,-0.4 -2,-0.4 3,-0.1 -0.980 15.6-163.3-125.4 128.8 9.4 -2.2 0.3 77 68 A T - 0 0 0 -2,-0.4 96,-2.7 1,-0.2 2,-0.3 0.789 69.5 -20.4 -77.9 -33.6 9.3 -2.4 4.1 78 69 A H - 0 0 0 5,-0.3 -1,-0.2 94,-0.2 -30,-0.2 -0.980 59.8 -99.0-173.5 170.3 6.1 -0.5 4.7 79 70 A K + 0 0 61 -2,-0.3 5,-0.1 -3,-0.1 39,-0.1 0.345 67.3 126.6 -85.0 -3.5 3.4 2.0 3.6 80 71 A H S >> S- 0 0 39 1,-0.1 3,-2.7 3,-0.1 4,-0.6 -0.267 74.8-106.8 -62.3 153.5 4.5 5.2 5.3 81 72 A Y H 3> S+ 0 0 22 1,-0.3 4,-0.6 2,-0.2 3,-0.4 0.722 118.2 51.2 -57.1 -29.4 5.0 8.3 3.1 82 73 A D H 34 S+ 0 0 11 1,-0.2 -33,-0.4 2,-0.2 -1,-0.3 0.302 108.7 49.6 -91.0 5.0 8.8 8.0 3.3 83 74 A H H <4 S+ 0 0 1 -3,-2.7 -35,-1.0 -35,-0.2 -5,-0.3 0.333 123.9 22.6-123.9 0.9 9.2 4.3 2.4 84 75 A C H >< S+ 0 0 0 -4,-0.6 3,-1.1 -35,-0.6 -35,-0.2 0.280 84.8 110.3-142.8 11.0 7.1 4.2 -0.8 85 76 A G T 3< S+ 0 0 0 -36,-2.3 -35,-0.2 -4,-0.6 4,-0.2 0.692 76.8 53.2 -72.1 -24.2 6.9 7.8 -2.1 86 77 A L T >> S+ 0 0 0 -38,-2.5 4,-2.6 -37,-0.2 3,-1.0 0.614 84.5 90.6 -73.0 -21.5 9.1 7.2 -5.2 87 78 A L H <> S+ 0 0 0 -3,-1.1 4,-2.2 -39,-0.3 -2,-0.1 0.906 86.0 44.8 -52.2 -50.0 7.1 4.3 -6.6 88 79 A P H 34 S+ 0 0 0 0, 0.0 48,-2.8 0, 0.0 -1,-0.3 0.777 119.6 44.9 -65.7 -22.5 4.6 6.2 -8.8 89 80 A Y H <4 S+ 0 0 23 -3,-1.0 -2,-0.2 46,-0.2 -3,-0.1 0.811 122.7 29.0 -92.0 -37.5 7.4 8.3 -10.2 90 81 A L H >< S+ 0 0 1 -4,-2.6 3,-2.0 2,-0.1 4,-0.3 0.705 102.2 74.5-102.0 -21.1 10.2 5.8 -10.9 91 82 A C G >< S+ 0 0 10 -4,-2.2 3,-1.7 -5,-0.5 6,-0.3 0.877 91.4 60.4 -59.9 -37.8 8.2 2.6 -11.7 92 83 A P G 3 S+ 0 0 75 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.603 105.6 49.1 -61.2 -13.3 7.2 4.1 -15.1 93 84 A R G < S+ 0 0 68 -3,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.314 103.0 64.7-101.0 3.4 11.0 4.2 -15.9 94 85 A L X + 0 0 3 -3,-1.7 3,-1.6 -4,-0.3 -1,-0.2 -0.803 64.1 179.4-125.9 76.8 11.6 0.6 -14.8 95 86 A P T 3 S+ 0 0 97 0, 0.0 -26,-0.1 0, 0.0 -1,-0.1 0.791 79.7 41.6 -61.0 -22.9 9.5 -1.4 -17.3 96 87 A N T 3 S+ 0 0 94 -28,-0.3 2,-0.2 -25,-0.2 -27,-0.1 0.266 86.3 124.3-106.7 13.8 10.5 -4.8 -15.8 97 88 A V < - 0 0 7 -3,-1.6 2,-0.5 -6,-0.3 -24,-0.3 -0.522 41.0-163.1 -83.2 141.2 10.2 -4.0 -12.1 98 89 A Q E -k 73 0B 70 -26,-1.8 -24,-1.9 -2,-0.2 2,-0.5 -0.992 15.7-140.1-115.3 125.3 8.1 -5.9 -9.6 99 90 A V E -kl 74 143B 0 43,-2.8 45,-2.7 -2,-0.5 2,-0.5 -0.729 15.9-157.4 -82.2 125.8 7.3 -4.2 -6.3 100 91 A L E +kl 75 144B 1 -26,-2.7 -24,-2.4 -2,-0.5 2,-0.3 -0.955 28.8 142.3-106.5 122.0 7.4 -6.7 -3.4 101 92 A A E - l 0 145B 0 43,-1.7 45,-2.5 -2,-0.5 -24,-0.1 -0.948 51.1 -80.8-151.5 165.3 5.6 -5.7 -0.3 102 93 A S E > - l 0 146B 8 -26,-0.4 4,-2.9 -2,-0.3 5,-0.2 -0.261 43.1-111.7 -63.7 156.4 3.4 -7.1 2.5 103 94 A E H > S+ 0 0 108 43,-0.7 4,-2.1 1,-0.2 5,-0.2 0.929 121.1 50.1 -52.2 -47.4 -0.3 -7.7 1.9 104 95 A R H > S+ 0 0 115 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.841 110.5 49.8 -64.4 -29.9 -1.1 -4.9 4.3 105 96 A T H > S+ 0 0 0 66,-0.3 4,-1.1 2,-0.2 3,-0.4 0.959 110.6 48.9 -71.1 -51.6 1.3 -2.6 2.4 106 97 A C H < S+ 0 0 14 -4,-2.9 4,-0.4 1,-0.2 3,-0.3 0.832 108.0 56.3 -51.1 -41.0 -0.2 -3.5 -1.0 107 98 A Q H >< S+ 0 0 105 -4,-2.1 3,-1.2 -5,-0.2 -1,-0.2 0.849 99.9 59.3 -62.3 -38.0 -3.7 -2.8 0.5 108 99 A A H >< S+ 0 0 11 -4,-1.3 3,-1.7 -3,-0.4 7,-0.4 0.879 99.5 55.8 -61.2 -34.5 -2.7 0.7 1.5 109 100 A W T 3< S+ 0 0 8 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.644 104.9 54.7 -76.0 -10.2 -1.9 1.6 -2.1 110 101 A K T < S+ 0 0 138 -3,-1.2 2,-0.6 -4,-0.4 -1,-0.3 0.338 90.6 92.9 -94.1 2.0 -5.5 0.6 -3.0 111 102 A S <> - 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