==== 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 27-JUL-01 1JOE . COMPND 2 MOLECULE: AUTOINDUCER-2 PRODUCTION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE RD; . AUTHOR C.C.H.CHEN,J.F.PARSONS,K.LIM,C.LEHMANN,A.TEMPCZYK,E.EISENSTE . 592 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25406.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 415 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 16.7 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 1 0.2 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 . 43 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 1 0 0 0 1 0 0 0 0 4 0 4 2 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 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 PARALLEL BRIDGES PER LADDER . 3 0 0 1 1 6 3 1 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 . 1 1 2 1 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 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 9 A V 0 0 96 0, 0.0 2,-1.0 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 132.2 29.1 18.0 -3.6 2 10 A D > - 0 0 51 1,-0.2 3,-0.9 2,-0.1 4,-0.4 -0.621 360.0-171.8 -78.3 105.9 26.1 20.2 -4.4 3 11 A H G > S+ 0 0 17 264,-2.1 3,-3.3 -2,-1.0 -1,-0.2 0.931 79.2 69.7 -62.4 -43.0 23.9 18.0 -6.6 4 12 A T G 3 S+ 0 0 75 1,-0.3 -1,-0.2 262,-0.2 263,-0.1 0.760 99.4 48.3 -44.7 -35.0 21.6 20.9 -7.4 5 13 A K G < S+ 0 0 148 -3,-0.9 -1,-0.3 262,-0.2 -2,-0.2 0.580 91.0 113.6 -84.8 -7.8 24.3 22.6 -9.4 6 14 A M < - 0 0 10 -3,-3.3 2,-0.4 -4,-0.4 140,-0.1 -0.260 54.1-147.9 -70.5 151.5 25.0 19.4 -11.4 7 15 A N - 0 0 107 27,-0.1 24,-0.2 26,-0.0 26,-0.1 -0.935 16.8-125.6-119.0 142.3 24.4 19.0 -15.1 8 16 A A S S+ 0 0 11 -2,-0.4 24,-0.2 1,-0.2 26,-0.2 -0.996 85.0 37.8-144.1 146.6 23.3 15.8 -17.0 9 17 A P S S+ 0 0 8 0, 0.0 135,-3.6 0, 0.0 2,-0.3 0.464 97.5 123.9 -62.1 136.5 24.1 14.1 -19.3 10 18 A A E -Ab 31 144A 0 21,-1.6 21,-2.1 133,-0.3 2,-0.6 -0.928 60.2-123.7-169.6 140.7 27.7 14.9 -18.2 11 19 A V E -Ab 30 145A 0 133,-1.8 135,-1.5 -2,-0.3 2,-0.3 -0.801 33.0-178.2 -89.0 118.2 30.9 13.2 -17.1 12 20 A R E -Ab 29 146A 21 17,-3.5 17,-1.7 -2,-0.6 2,-0.7 -0.884 25.1-127.3-115.3 152.8 32.1 14.2 -13.7 13 21 A I E +A 28 0A 38 133,-0.6 135,-0.2 -2,-0.3 15,-0.2 -0.850 31.3 167.2-102.6 118.0 35.3 13.1 -11.9 14 22 A A E + 0 0 31 13,-1.5 2,-0.3 -2,-0.7 14,-0.2 0.669 58.0 8.5-105.6 -16.5 34.7 11.8 -8.4 15 23 A K E -A 27 0A 63 12,-2.0 12,-4.5 2,-0.0 2,-0.4 -0.882 41.4-169.0-171.7 136.9 37.9 10.1 -7.4 16 24 A T E -A 26 0A 75 -2,-0.3 2,-0.4 10,-0.3 10,-0.3 -0.999 23.5-148.8-126.2 127.9 41.6 9.4 -8.2 17 25 A M E -A 25 0A 21 8,-3.4 8,-2.7 -2,-0.4 2,-0.8 -0.821 7.9-152.9-108.8 134.5 43.5 6.8 -6.2 18 26 A L E -A 24 0A 126 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.866 16.9-161.3-105.6 97.7 47.2 6.7 -5.3 19 27 A T > - 0 0 3 4,-1.6 3,-4.4 -2,-0.8 153,-0.1 -0.693 31.1-111.1 -81.5 130.9 48.3 3.0 -4.9 20 28 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.643 116.7 55.8 -30.6 -41.3 51.5 2.5 -3.0 21 29 A K T 3 S- 0 0 120 2,-0.1 2,-0.1 1,-0.1 -3,-0.0 0.653 120.3-105.3 -75.3 -14.7 53.4 1.3 -6.1 22 30 A G S < S+ 0 0 25 -3,-4.4 -3,-0.2 1,-0.4 -1,-0.1 -0.450 76.6 122.7 129.8 -64.9 52.5 4.5 -8.0 23 31 A D - 0 0 25 -5,-0.1 -4,-1.6 -2,-0.1 2,-0.4 0.061 55.7-130.3 -42.2 136.8 49.8 3.9 -10.6 24 32 A N E -A 18 0A 54 -6,-0.2 61,-2.1 -8,-0.0 2,-0.3 -0.794 11.6-147.4-100.4 134.5 46.7 6.1 -10.1 25 33 A I E -AC 17 84A 0 -8,-2.7 -8,-3.4 -2,-0.4 2,-0.4 -0.715 12.8-153.2 -95.7 147.7 43.2 4.7 -10.1 26 34 A T E -AC 16 83A 5 57,-3.0 57,-2.2 -2,-0.3 2,-0.5 -0.975 9.6-167.7-129.5 133.6 40.3 6.8 -11.4 27 35 A V E -AC 15 82A 6 -12,-4.5 -12,-2.0 -2,-0.4 -13,-1.5 -0.979 12.7-160.0-120.6 122.8 36.6 6.8 -10.5 28 36 A F E -AC 13 81A 0 53,-1.3 53,-1.6 -2,-0.5 2,-0.7 -0.907 14.6-144.5-111.5 124.5 34.1 8.7 -12.8 29 37 A D E -AC 12 80A 0 -17,-1.7 -17,-3.5 -2,-0.5 2,-0.8 -0.742 17.6-166.5 -77.4 112.3 30.6 9.9 -12.0 30 38 A L E -AC 11 79A 0 49,-2.2 49,-1.8 -2,-0.7 2,-0.7 -0.856 8.9-161.2-107.6 98.6 28.7 9.4 -15.2 31 39 A R E +AC 10 78A 4 -21,-2.1 -21,-1.6 -2,-0.8 47,-0.3 -0.721 22.7 168.6 -90.5 107.6 25.5 11.4 -14.6 32 40 A F + 0 0 7 45,-1.4 2,-0.3 -2,-0.7 46,-0.2 0.821 65.4 37.6 -84.9 -34.9 22.5 10.6 -16.9 33 41 A C S S- 0 0 6 44,-3.0 -1,-0.1 5,-0.1 44,-0.1 -0.838 84.1-105.6-124.1 156.8 19.8 12.6 -15.1 34 42 A I >> - 0 0 50 -2,-0.3 3,-2.6 -26,-0.2 4,-2.3 -0.659 57.0-101.0 -75.7 125.8 19.4 15.8 -13.2 35 43 A P T 34 S- 0 0 9 0, 0.0 236,-0.2 0, 0.0 -1,-0.1 -0.200 100.1 -4.6 -57.8 128.4 19.2 14.8 -9.6 36 44 A N T 34 S+ 0 0 57 234,-0.4 3,-0.1 2,-0.3 235,-0.1 0.534 127.5 74.4 70.5 3.6 15.6 14.7 -8.3 37 45 A K T <4 S+ 0 0 162 -3,-2.6 2,-0.3 1,-0.4 -1,-0.1 0.688 108.8 3.9-111.4 -34.8 14.5 16.1 -11.6 38 46 A E < - 0 0 53 -4,-2.3 -1,-0.4 39,-0.0 -2,-0.3 -0.991 69.1-177.6-150.6 146.8 14.8 13.0 -13.8 39 47 A I - 0 0 78 -2,-0.3 2,-0.2 -3,-0.1 38,-0.2 -0.961 25.0 -96.8-150.3 168.8 15.8 9.3 -13.1 40 48 A L - 0 0 10 36,-2.3 38,-0.1 -2,-0.3 3,-0.0 -0.591 35.0-111.1 -91.2 145.3 16.4 5.9 -14.6 41 49 A S > - 0 0 26 -2,-0.2 4,-2.9 1,-0.1 3,-0.5 -0.569 20.0-136.1 -71.0 127.0 14.1 2.9 -14.8 42 50 A P H > S+ 0 0 35 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.909 108.6 44.5 -44.9 -52.7 15.1 -0.0 -12.6 43 51 A K H > S+ 0 0 98 1,-0.2 4,-1.4 2,-0.2 84,-0.8 0.762 115.1 52.1 -67.9 -25.0 14.5 -2.5 -15.4 44 52 A G H > S+ 0 0 0 -3,-0.5 4,-3.2 82,-0.2 -1,-0.2 0.807 102.4 52.8 -83.4 -35.3 16.3 -0.2 -17.8 45 53 A I H X S+ 0 0 7 -4,-2.9 4,-1.0 2,-0.2 -2,-0.2 0.933 110.7 50.1 -70.3 -36.1 19.6 0.4 -16.1 46 54 A H H >X S+ 0 0 2 -4,-1.4 4,-1.6 -5,-0.3 3,-1.3 0.986 113.8 44.6 -56.7 -57.1 20.1 -3.3 -15.7 47 55 A T H 3X S+ 0 0 7 -4,-1.4 4,-0.7 1,-0.3 3,-0.4 0.908 117.2 45.5 -52.2 -45.8 19.3 -3.7 -19.4 48 56 A L H 3X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.2 -1,-0.3 0.622 105.9 65.8 -73.4 -12.2 21.6 -0.8 -20.1 49 57 A E H X S+ 0 0 19 -4,-0.7 4,-1.9 -5,-0.3 3,-0.7 0.976 111.2 46.5 -84.9 -68.4 25.3 -3.2 -22.7 52 60 A F H 3X S+ 0 0 0 -4,-1.7 4,-3.5 1,-0.2 5,-0.2 0.850 107.4 56.0 -33.7 -68.2 27.3 -0.1 -21.6 53 61 A A H 3X S+ 0 0 25 -4,-0.8 4,-1.5 -5,-0.3 -1,-0.2 0.834 114.8 39.2 -43.3 -46.9 30.0 -1.8 -19.7 54 62 A G H <> S+ 0 0 33 -3,-0.7 4,-1.4 -4,-0.4 -2,-0.2 0.999 116.5 46.4 -69.2 -68.3 31.0 -3.9 -22.7 55 63 A F H < S+ 0 0 54 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.811 109.4 59.4 -38.8 -46.5 30.6 -1.4 -25.5 56 64 A M H >X S+ 0 0 0 -4,-3.5 3,-3.7 1,-0.3 4,-1.0 0.969 104.2 46.8 -49.8 -67.0 32.5 1.1 -23.3 57 65 A R H 3< S+ 0 0 78 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.728 105.4 62.9 -48.0 -28.7 35.7 -1.1 -23.1 58 66 A D T 3< S+ 0 0 101 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.450 116.5 29.7 -78.2 -1.9 35.3 -1.6 -26.8 59 67 A H T <4 S+ 0 0 84 -3,-3.7 2,-0.3 -4,-0.1 -2,-0.2 0.279 129.5 38.8-132.7 -1.0 35.9 2.2 -27.1 60 68 A L S < S+ 0 0 10 -4,-1.0 -1,-0.1 -5,-0.2 7,-0.1 -0.866 77.5 65.7-143.6 174.1 38.1 2.6 -24.0 61 69 A N + 0 0 38 -2,-0.3 5,-0.2 -3,-0.1 2,-0.2 0.662 57.2 125.5 75.2 123.4 40.8 0.8 -22.1 62 70 A G - 0 0 53 3,-1.7 -2,-0.0 0, 0.0 -5,-0.0 -0.524 67.5 -8.2-164.6-126.0 44.2 0.4 -23.8 63 71 A D S S+ 0 0 183 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.140 146.3 6.3 -84.7 22.2 47.9 1.0 -23.4 64 72 A S S S+ 0 0 89 1,-0.3 2,-0.4 20,-0.1 22,-0.4 0.269 117.4 83.6-179.1 -2.8 47.2 3.0 -20.3 65 73 A I + 0 0 26 20,-0.2 -3,-1.7 21,-0.1 2,-0.3 -0.978 40.4 162.5-121.7 127.4 43.5 2.5 -19.7 66 74 A E E -D 84 0A 67 18,-2.1 18,-3.8 -2,-0.4 2,-0.3 -0.914 25.7-145.3-144.5 116.4 41.8 -0.4 -17.9 67 75 A I E -D 83 0A 0 -2,-0.3 16,-0.3 16,-0.3 3,-0.1 -0.640 11.8-173.3 -79.8 132.5 38.3 -0.3 -16.6 68 76 A I E - 0 0 8 14,-3.5 2,-0.4 -2,-0.3 15,-0.2 0.912 67.0 -10.2 -87.5 -65.7 37.6 -2.2 -13.4 69 77 A D E -D 82 0A 28 13,-0.6 13,-1.7 2,-0.1 2,-0.7 -0.943 45.9-161.5-146.1 121.5 33.8 -1.9 -13.0 70 78 A I E +D 81 0A 6 -2,-0.4 11,-0.2 11,-0.2 -17,-0.1 -0.898 36.5 164.1 -93.1 114.2 31.1 0.1 -14.7 71 79 A S E -D 80 0A 1 9,-2.5 9,-1.6 -2,-0.7 151,-0.1 -0.996 37.1-110.5-141.8 143.8 28.2 -0.0 -12.2 72 80 A P E -D 79 0A 4 0, 0.0 7,-0.2 0, 0.0 2,-0.1 -0.259 30.6-127.1 -62.0 145.0 24.9 1.8 -11.6 73 81 A M - 0 0 8 5,-1.1 147,-0.1 147,-0.1 122,-0.1 -0.379 17.2-119.4 -85.3 172.9 24.4 4.0 -8.5 74 82 A G S S+ 0 0 3 1,-0.2 121,-0.2 121,-0.1 122,-0.1 0.915 110.0 60.5 -81.2 -45.5 21.5 3.7 -6.1 75 83 A C S S- 0 0 10 120,-0.1 -1,-0.2 1,-0.1 -39,-0.1 0.836 102.5-137.8 -48.6 -35.8 19.9 7.1 -6.5 76 84 A R S S+ 0 0 28 -37,-0.1 -36,-2.3 2,-0.1 -1,-0.1 0.642 75.2 104.4 86.3 23.8 19.6 5.9 -10.1 77 85 A T S S+ 0 0 0 -38,-0.2 -44,-3.0 -44,-0.1 -45,-1.4 0.486 83.0 5.1-107.5 -6.9 20.6 9.1 -11.8 78 86 A G E -C 31 0A 0 -47,-0.3 -5,-1.1 -46,-0.2 2,-0.3 -0.745 62.9-107.2-155.4-160.7 24.1 8.1 -12.9 79 87 A F E -CD 30 72A 0 -49,-1.8 -49,-2.2 -2,-0.2 2,-0.3 -0.878 14.4-151.3-154.7 116.1 26.9 5.7 -13.4 80 88 A Y E -CD 29 71A 58 -9,-1.6 -9,-2.5 -2,-0.3 2,-0.4 -0.700 14.2-171.7 -85.8 140.4 30.3 5.2 -11.7 81 89 A M E -CD 28 70A 0 -53,-1.6 -53,-1.3 -2,-0.3 2,-0.3 -0.889 4.2-162.5-137.9 106.5 33.1 3.7 -13.7 82 90 A S E +CD 27 69A 6 -13,-1.7 -14,-3.5 -2,-0.4 -13,-0.6 -0.593 17.6 163.8 -89.2 143.3 36.4 2.8 -12.1 83 91 A L E -CD 26 67A 0 -57,-2.2 -57,-3.0 -16,-0.3 2,-0.5 -0.999 42.2-111.1-155.5 153.7 39.7 2.2 -14.0 84 92 A I E S+CD 25 66A 7 -18,-3.8 -18,-2.1 -2,-0.3 2,-0.3 -0.769 88.4 33.1 -82.1 126.4 43.4 1.9 -13.8 85 93 A G S S- 0 0 10 -61,-2.1 -20,-0.2 -2,-0.5 -2,-0.1 -0.950 88.7 -88.1 130.2-150.0 44.9 4.9 -15.5 86 94 A T + 0 0 103 -22,-0.4 2,-0.3 -2,-0.3 -1,-0.1 -0.099 44.4 162.5-164.5 53.4 43.9 8.5 -16.0 87 95 A P - 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0 0 11 -4,-0.7 3,-0.1 -3,-0.6 26,-0.1 -0.554 58.6-167.5 -71.7 112.0 20.9 -3.5 -30.3 107 115 A Q - 0 0 148 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.999 55.6 -34.1 -65.1 -72.9 18.0 -5.0 -32.3 108 116 A D - 0 0 82 2,-0.2 -1,-0.2 1,-0.0 4,-0.1 -0.839 66.3 -82.6-141.5-178.6 16.0 -6.8 -29.6 109 117 A Q S > S+ 0 0 82 1,-0.3 2,-2.1 -2,-0.3 3,-2.0 0.782 118.3 76.6 -55.4 -30.7 16.2 -8.7 -26.3 110 118 A A T 3 S+ 0 0 88 1,-0.3 -1,-0.3 3,-0.0 -2,-0.2 -0.426 84.8 63.3 -79.0 60.3 17.0 -11.6 -28.6 111 119 A S T 3 S+ 0 0 59 -2,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.152 82.5 83.7-157.7 -9.6 20.5 -10.1 -28.9 112 120 A I X + 0 0 17 -3,-2.0 3,-1.5 1,-0.1 -61,-0.0 -0.855 51.3 176.5-106.0 87.9 21.3 -10.5 -25.2 113 121 A P T 3 S+ 0 0 108 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.710 75.7 69.4 -66.1 -22.3 22.5 -14.1 -24.9 114 122 A E T 3 + 0 0 66 1,-0.2 5,-0.2 -3,-0.1 9,-0.1 0.478 69.2 101.0 -75.0 -1.5 23.3 -13.5 -21.2 115 123 A L < + 0 0 17 -3,-1.5 -1,-0.2 -6,-0.2 2,-0.2 0.148 55.6 115.2 -77.1 23.5 19.6 -13.3 -20.6 116 124 A N S >> S- 0 0 37 -3,-0.4 4,-1.8 1,-0.1 3,-1.2 -0.540 78.0-120.0 -89.0 160.5 19.5 -16.8 -19.2 117 125 A I T 34 S+ 0 0 60 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.418 114.6 58.2 -79.0 0.6 18.6 -17.8 -15.6 118 126 A Y T 34 S+ 0 0 117 34,-0.2 34,-1.0 33,-0.1 -1,-0.3 0.421 119.1 26.4-106.4 -0.7 22.1 -19.3 -15.4 119 127 A Q T <4 S+ 0 0 106 -3,-1.2 2,-0.5 1,-0.2 -2,-0.2 0.440 114.3 64.7-137.3 -10.4 23.9 -16.1 -16.3 120 128 A C >< - 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0 0 15 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.039 37.9-106.4 -65.2-177.4 14.3 46.6 33.9 535 96 D N > - 0 0 78 1,-0.1 4,-0.7 -75,-0.0 -2,-0.0 -0.577 27.9 -97.8-107.6 174.5 16.0 43.3 34.4 536 97 D E H >> S+ 0 0 87 1,-0.2 4,-2.2 -2,-0.2 3,-1.3 0.921 124.1 52.9 -54.8 -43.8 19.7 42.3 34.5 537 98 D Q H 3> S+ 0 0 127 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.962 104.2 54.0 -57.2 -51.9 19.5 41.3 30.9 538 99 D K H 34 S+ 0 0 118 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.583 112.4 47.0 -59.8 -12.4 18.0 44.6 29.7 539 100 D V H S+ 0 0 5 -4,-0.3 4,-2.9 -5,-0.2 5,-0.2 0.934 113.7 50.8 -72.8 -44.4 22.4 48.5 27.1 543 104 D W H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.920 111.2 49.6 -59.7 -45.5 25.9 48.6 28.6 544 105 D L H X S+ 0 0 79 -4,-4.0 4,-1.8 2,-0.2 -1,-0.2 0.971 111.1 48.8 -54.5 -58.6 27.2 46.4 25.8 545 106 D A H >X S+ 0 0 26 -4,-2.1 4,-1.9 1,-0.3 3,-0.9 0.915 111.4 48.8 -43.8 -60.7 25.6 48.7 23.1 546 107 D S H 3X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.3 -1,-0.3 0.880 106.0 58.1 -47.9 -43.4 27.0 51.8 24.7 547 108 D M H 3X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.3 -1,-0.3 0.880 105.7 49.6 -57.9 -35.3 30.4 50.1 24.8 548 109 D Q H X S+ 0 0 48 -4,-1.9 4,-0.8 2,-0.2 3,-0.5 0.903 101.6 57.7 -65.7 -51.8 29.1 53.5 21.1 550 111 D V H >< S+ 0 0 0 -4,-3.2 3,-0.8 1,-0.3 -1,-0.2 0.837 106.4 51.6 -53.9 -36.3 32.0 54.8 23.1 551 112 D L H 3< S+ 0 0 51 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.858 99.9 64.3 -64.4 -38.9 34.4 53.2 20.6 552 113 D G H << S+ 0 0 67 -4,-1.0 2,-0.7 -3,-0.5 -1,-0.2 0.672 85.0 87.1 -57.3 -21.0 32.4 55.1 17.9 553 114 D V << + 0 0 18 -3,-0.8 3,-0.1 -4,-0.8 6,-0.0 -0.773 58.6 175.1 -86.3 113.7 33.6 58.3 19.6 554 115 D Q + 0 0 139 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.988 52.9 26.6 -86.8 -70.6 37.0 59.0 17.9 555 116 D D > - 0 0 88 1,-0.1 3,-3.1 20,-0.0 -1,-0.2 -0.756 68.9-125.6-104.3 144.1 38.5 62.3 19.0 556 117 D Q G > S+ 0 0 65 -2,-0.3 3,-1.2 1,-0.3 6,-0.2 0.802 113.8 68.4 -54.6 -29.9 38.0 64.2 22.3 557 118 D A G 3 S+ 0 0 85 1,-0.3 -1,-0.3 0, 0.0 5,-0.1 0.787 86.3 69.0 -54.9 -30.0 37.0 67.1 20.1 558 119 D S G < S+ 0 0 50 -3,-3.1 -1,-0.3 1,-0.1 -2,-0.2 -0.018 86.5 78.8 -80.1 28.0 34.0 64.8 19.4 559 120 D I X - 0 0 9 -3,-1.2 3,-1.3 1,-0.2 -1,-0.1 -0.852 67.0-167.6-139.7 92.8 33.0 65.6 23.0 560 121 D P T 3 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.925 76.9 54.5 -47.5 -72.0 31.4 69.0 23.2 561 122 D E T 3 + 0 0 38 1,-0.1 2,-2.9 5,-0.1 5,-0.3 0.405 68.5 119.2 -52.9 -4.7 31.2 69.9 26.9 562 123 D L < + 0 0 33 -3,-1.3 2,-0.3 -6,-0.2 -1,-0.1 -0.402 65.1 75.2 -65.2 76.4 34.9 69.3 27.4 563 124 D N S >> S- 0 0 34 -2,-2.9 4,-2.1 1,-0.1 3,-0.5 -0.936 97.4 -81.5-171.2-179.5 35.3 72.9 28.5 564 125 D I T 34 S+ 0 0 58 -2,-0.3 -263,-0.5 2,-0.2 -1,-0.1 0.780 120.4 50.5 -71.7 -38.5 34.7 75.5 31.2 565 126 D Y T 34 S+ 0 0 131 1,-0.2 -1,-0.2 -265,-0.2 -263,-0.1 0.456 129.0 21.8 -83.5 1.8 31.1 76.2 30.5 566 127 D Q T <4 S+ 0 0 114 -3,-0.5 2,-0.4 -5,-0.3 -2,-0.2 0.433 115.1 62.7-146.1 -10.4 30.2 72.5 30.6 567 128 D C < - 0 0 3 -4,-2.1 3,-0.5 1,-0.1 -1,-0.2 -0.973 57.1-150.3-130.3 143.5 33.0 70.7 32.6 568 129 D G S S+ 0 0 2 -2,-0.4 -234,-1.1 1,-0.2 -1,-0.1 0.778 103.5 2.8 -76.8 -28.8 34.1 70.9 36.2 569 130 D S S > S- 0 0 13 -236,-0.2 3,-2.3 -235,-0.1 -1,-0.2 -0.435 80.9-178.1-154.1 66.5 37.7 70.0 35.5 570 131 D Y T 3 S+ 0 0 91 -3,-0.5 3,-0.2 1,-0.3 -2,-0.1 0.477 74.1 58.8 -59.1 -11.6 37.6 69.7 31.7 571 132 D T T 3 S+ 0 0 93 1,-0.2 -1,-0.3 -4,-0.1 2,-0.3 0.284 84.0 88.5 -99.8 15.5 41.2 68.6 31.2 572 133 D E < + 0 0 51 -3,-2.3 2,-0.3 -83,-0.1 -1,-0.2 -0.335 66.7 94.0-109.4 54.8 40.8 65.5 33.4 573 134 D H - 0 0 10 -2,-0.3 -82,-0.2 -3,-0.2 2,-0.2 -0.900 53.2-155.9-131.6 165.7 39.6 63.0 30.9 574 135 D S > - 0 0 20 -84,-1.1 4,-2.2 -2,-0.3 5,-0.2 -0.723 6.5-175.9-145.3 91.0 41.4 60.3 28.7 575 136 D L H > S+ 0 0 7 1,-0.2 4,-1.4 -2,-0.2 5,-0.2 0.892 91.0 53.7 -53.6 -41.5 39.5 59.3 25.6 576 137 D E H >> S+ 0 0 137 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.938 108.9 49.1 -56.7 -45.2 42.2 56.7 24.9 577 138 D D H 3> S+ 0 0 32 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.883 107.4 54.2 -61.0 -40.8 41.7 55.3 28.4 578 139 D A H 3X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.738 111.0 47.8 -64.2 -29.0 37.9 55.2 27.9 579 140 D H H