==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 24-MAR-09 3A0U . COMPND 2 MOLECULE: RESPONSE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR S.YAMADA,H.SUGIMOTO,M.KOBAYASHI,A.OHNO,H.NAKAMURA,Y.SHIRO . 115 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6637.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 17.4 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 . 10 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 1 A M 0 0 168 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 137.6 6.3 5.0 93.9 2 2 A K - 0 0 81 23,-0.3 25,-2.8 44,-0.0 2,-0.4 -0.819 360.0-146.4-105.2 146.5 9.4 5.9 92.0 3 3 A R E -a 27 0A 104 -2,-0.3 44,-2.4 42,-0.2 45,-1.1 -0.947 11.9-169.7-114.5 135.5 11.3 3.4 89.8 4 4 A I E -ab 28 48A 0 23,-2.6 25,-2.4 -2,-0.4 2,-0.6 -0.971 15.5-144.8-122.7 133.3 15.1 3.4 89.3 5 5 A L E -ab 29 49A 0 43,-2.4 45,-2.9 -2,-0.4 2,-0.6 -0.914 17.4-160.2 -93.4 121.9 17.0 1.4 86.8 6 6 A V E -ab 30 50A 1 23,-2.9 25,-2.0 -2,-0.6 2,-0.5 -0.917 7.0-169.8-107.7 120.7 20.3 0.2 88.3 7 7 A V E +ab 31 51A 2 43,-2.9 45,-2.3 -2,-0.6 2,-0.3 -0.933 23.5 135.9-118.5 115.2 23.0 -0.7 85.7 8 8 A D - 0 0 2 23,-2.0 6,-0.1 -2,-0.5 47,-0.1 -0.946 46.5-140.9-156.5 141.0 26.2 -2.5 86.8 9 9 A D S S+ 0 0 46 45,-0.4 23,-0.1 -2,-0.3 46,-0.1 0.678 83.7 83.6 -77.8 -14.8 28.2 -5.4 85.4 10 10 A E >> - 0 0 98 1,-0.2 4,-2.5 2,-0.0 3,-0.9 -0.787 67.5-155.6 -96.8 111.5 29.0 -6.9 88.8 11 11 A P H 3> S+ 0 0 73 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.838 92.4 51.7 -58.2 -36.2 26.2 -9.0 90.1 12 12 A N H 3> S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.780 111.5 48.8 -70.1 -26.1 27.1 -8.6 93.8 13 13 A I H <> S+ 0 0 49 -3,-0.9 4,-3.0 2,-0.2 5,-0.3 0.894 108.3 52.5 -79.1 -41.1 27.2 -4.9 93.4 14 14 A R H X S+ 0 0 41 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.931 111.8 48.6 -53.1 -45.9 23.8 -4.8 91.6 15 15 A E H X S+ 0 0 126 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.902 112.0 47.4 -62.4 -46.8 22.5 -6.8 94.6 16 16 A L H X S+ 0 0 58 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.949 114.1 46.4 -60.9 -49.8 24.0 -4.4 97.1 17 17 A L H X S+ 0 0 4 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.886 111.2 52.5 -60.7 -41.3 22.7 -1.3 95.3 18 18 A K H X S+ 0 0 69 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.936 111.6 46.7 -61.5 -46.5 19.2 -2.8 94.9 19 19 A E H X S+ 0 0 116 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.912 112.9 48.3 -59.4 -46.4 19.0 -3.6 98.6 20 20 A E H X S+ 0 0 44 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.874 115.4 44.0 -64.3 -39.2 20.3 -0.1 99.7 21 21 A L H ><>S+ 0 0 1 -4,-2.3 5,-1.8 -5,-0.2 3,-0.6 0.860 108.8 56.2 -78.6 -34.7 17.8 1.7 97.4 22 22 A Q H ><5S+ 0 0 78 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.883 100.9 61.0 -56.9 -37.0 14.8 -0.6 98.3 23 23 A E H 3<5S+ 0 0 135 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.823 100.3 53.9 -61.6 -30.6 15.5 0.5 101.9 24 24 A E T <<5S- 0 0 86 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.510 127.2-102.7 -84.1 -3.8 14.9 4.1 100.8 25 25 A G T < 5S+ 0 0 43 -3,-1.8 -23,-0.3 1,-0.3 -3,-0.2 0.591 74.9 136.1 98.8 13.3 11.5 2.9 99.4 26 26 A Y < - 0 0 39 -5,-1.8 2,-0.5 -25,-0.1 -1,-0.3 -0.581 55.6-121.2 -89.6 156.2 12.2 2.8 95.7 27 27 A E E -a 3 0A 88 -25,-2.8 -23,-2.6 -2,-0.2 2,-0.5 -0.855 35.6-155.3 -94.3 129.9 11.3 0.1 93.2 28 28 A I E +a 4 0A 5 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.920 20.9 177.4-117.7 128.6 14.4 -1.2 91.6 29 29 A D E -a 5 0A 55 -25,-2.4 -23,-2.9 -2,-0.5 2,-0.3 -0.882 19.8-152.1-115.2 155.4 15.0 -2.9 88.2 30 30 A T E -a 6 0A 41 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.910 13.6-165.7-129.1 156.8 18.6 -3.9 87.2 31 31 A A E -a 7 0A 0 -25,-2.0 -23,-2.0 -2,-0.3 3,-0.1 -0.984 14.4-149.8-136.0 151.0 20.6 -4.5 84.0 32 32 A E S S+ 0 0 101 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.1 0.508 76.9 13.6 -99.0 -11.5 23.9 -6.2 83.6 33 33 A N S > S- 0 0 38 22,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.961 80.3 -98.5-156.7 171.9 25.4 -4.3 80.7 34 34 A G H > S+ 0 0 0 24,-0.5 4,-2.3 22,-0.5 5,-0.2 0.860 117.4 52.9 -66.3 -38.5 24.9 -1.1 78.6 35 35 A E H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.951 112.6 45.0 -62.9 -47.5 23.1 -2.8 75.7 36 36 A E H > S+ 0 0 62 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.892 110.8 56.5 -61.1 -42.6 20.5 -4.3 78.1 37 37 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.909 106.9 47.3 -55.1 -46.0 20.3 -1.0 79.9 38 38 A L H X S+ 0 0 27 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.918 112.2 50.3 -67.4 -40.9 19.3 0.9 76.8 39 39 A K H X S+ 0 0 162 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.943 115.7 41.2 -61.6 -48.1 16.7 -1.7 75.8 40 40 A K H X S+ 0 0 61 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.920 115.5 51.7 -66.4 -43.4 15.1 -1.6 79.3 41 41 A F H < S+ 0 0 15 -4,-2.9 5,-0.3 -5,-0.3 3,-0.3 0.946 113.0 40.8 -60.2 -51.4 15.3 2.1 79.6 42 42 A F H < S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.812 119.6 46.1 -71.7 -26.7 13.7 3.0 76.2 43 43 A S H < S+ 0 0 101 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.648 114.6 56.9 -84.8 -17.2 11.0 0.3 76.6 44 44 A G S < S- 0 0 23 -4,-1.5 -3,-0.1 -3,-0.3 -4,-0.0 -0.155 79.5-119.2-106.6-163.0 10.3 1.3 80.2 45 45 A N + 0 0 130 -2,-0.1 2,-0.2 -5,-0.0 -42,-0.2 -0.429 41.4 167.8-143.0 62.5 9.3 4.2 82.3 46 46 A Y - 0 0 37 -5,-0.3 -42,-0.2 1,-0.1 29,-0.2 -0.525 32.9-154.0 -88.8 145.7 12.0 5.0 84.8 47 47 A D S S+ 0 0 71 -44,-2.4 2,-0.3 1,-0.3 28,-0.2 0.743 83.4 7.5 -81.8 -25.4 12.3 8.0 87.0 48 48 A L E -b 4 0A 0 -45,-1.1 -43,-2.4 26,-0.1 2,-0.4 -0.987 60.6-150.6-156.8 143.0 16.1 7.7 87.3 49 49 A V E -bc 5 76A 0 26,-2.3 28,-2.6 -2,-0.3 2,-0.5 -0.989 7.2-159.5-119.2 134.2 18.9 5.6 85.9 50 50 A I E -bc 6 77A 2 -45,-2.9 -43,-2.9 -2,-0.4 2,-0.5 -0.972 19.1-162.9-112.3 123.0 22.0 4.8 87.9 51 51 A L E -bc 7 78A 0 26,-3.1 28,-2.3 -2,-0.5 -43,-0.2 -0.940 16.2-149.8-124.9 116.7 24.9 3.8 85.5 52 52 A D - 0 0 6 -45,-2.3 28,-0.2 -2,-0.5 3,-0.1 -0.382 13.3-149.8 -61.1 153.1 28.2 2.1 86.2 53 53 A I S S+ 0 0 1 26,-0.2 7,-2.4 1,-0.2 2,-0.8 0.886 75.6 63.8 -95.4 -54.9 30.9 3.1 83.7 54 54 A E + 0 0 84 5,-0.2 -45,-0.4 6,-0.1 -1,-0.2 -0.615 67.4 137.9 -81.8 110.6 33.2 0.1 83.4 55 55 A M - 0 0 20 -2,-0.8 2,-0.2 2,-0.3 -22,-0.1 -0.972 61.2 -93.2-144.7 153.9 31.2 -2.8 81.8 56 56 A P S S+ 0 0 90 0, 0.0 -22,-0.5 0, 0.0 2,-0.2 -0.505 103.2 10.0 -67.1 138.5 31.9 -5.4 79.1 57 57 A G S S+ 0 0 59 -2,-0.2 -2,-0.3 -24,-0.1 -24,-0.0 -0.603 126.2 12.6 86.4-154.4 30.6 -3.9 75.9 58 58 A I S S- 0 0 35 -2,-0.2 -24,-0.5 1,-0.1 -23,-0.1 -0.254 83.7-118.0 -59.5 140.5 29.6 -0.2 75.6 59 59 A S > - 0 0 42 1,-0.1 4,-2.5 -5,-0.1 3,-0.2 -0.339 19.8-111.8 -74.4 162.4 30.6 1.9 78.6 60 60 A G H > S+ 0 0 0 -7,-2.4 4,-2.6 1,-0.2 -7,-0.2 0.788 119.4 60.6 -63.9 -25.2 28.2 3.7 80.9 61 61 A L H > S+ 0 0 14 -8,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.924 106.7 45.9 -65.8 -41.7 29.5 7.0 79.5 62 62 A E H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.936 112.8 49.9 -63.7 -45.0 28.3 5.8 76.1 63 63 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.918 108.7 52.6 -57.3 -47.5 25.0 4.7 77.6 64 64 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.880 107.8 51.9 -57.4 -40.3 24.6 8.1 79.3 65 65 A G H X S+ 0 0 20 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.906 111.0 46.8 -62.0 -44.7 25.1 9.9 76.0 66 66 A E H X S+ 0 0 54 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.893 113.4 47.6 -68.2 -42.4 22.5 7.8 74.3 67 67 A I H X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 7,-0.2 0.931 111.5 50.5 -65.2 -43.9 19.9 8.2 77.0 68 68 A R H < S+ 0 0 59 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.912 111.5 48.8 -61.1 -42.9 20.5 12.0 77.2 69 69 A K H < S+ 0 0 157 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.852 120.5 35.0 -63.8 -36.1 20.1 12.4 73.4 70 70 A K H < S+ 0 0 128 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.458 126.1 37.4-104.4 -6.0 16.8 10.3 73.3 71 71 A K >< - 0 0 107 -4,-1.7 3,-2.2 -5,-0.2 -1,-0.3 -0.674 69.6-173.3-144.1 86.4 15.3 11.4 76.6 72 72 A K T 3 S+ 0 0 152 1,-0.3 -1,-0.1 -3,-0.3 -2,-0.1 0.819 84.1 42.9 -54.9 -39.6 16.1 15.0 77.1 73 73 A D T 3 S+ 0 0 109 2,-0.1 -1,-0.3 0, 0.0 -5,-0.1 0.217 83.7 138.8 -95.4 13.8 14.7 15.3 80.6 74 74 A A < - 0 0 6 -3,-2.2 2,-0.5 -7,-0.2 -26,-0.1 -0.177 51.5-132.4 -52.2 149.6 16.2 11.9 81.9 75 75 A K + 0 0 80 -28,-0.2 -26,-2.3 -29,-0.2 2,-0.4 -0.966 33.2 179.2-106.3 120.8 17.7 11.8 85.4 76 76 A I E -c 49 0A 0 -2,-0.5 19,-2.1 -28,-0.2 20,-1.6 -0.988 17.0-173.2-130.8 125.6 21.1 10.1 85.2 77 77 A I E -cd 50 96A 0 -28,-2.6 -26,-3.1 -2,-0.4 2,-0.6 -0.979 17.4-146.0-115.9 126.3 23.6 9.4 87.9 78 78 A L E -cd 51 97A 0 18,-2.7 20,-3.3 -2,-0.5 2,-0.5 -0.848 20.2-175.4 -82.6 122.9 27.0 7.9 87.0 79 79 A L E + d 0 98A 5 -28,-2.3 2,-0.3 -2,-0.6 -26,-0.2 -0.953 17.1 155.0-125.7 107.7 28.0 5.6 89.9 80 80 A T E - d 0 99A 0 18,-1.9 20,-2.7 -2,-0.5 -28,-0.1 -0.925 53.0-127.7-136.3 151.5 31.5 4.2 89.4 81 81 A A S S+ 0 0 43 -2,-0.3 2,-0.4 18,-0.2 18,-0.1 0.742 91.8 72.3 -65.6 -21.8 34.3 2.8 91.6 82 82 A Y > - 0 0 126 1,-0.1 3,-0.6 17,-0.0 -2,-0.1 -0.816 58.5-161.4-114.5 133.9 36.7 5.3 89.9 83 83 A S G > S+ 0 0 85 -2,-0.4 3,-1.9 1,-0.2 4,-0.3 0.607 76.4 94.4 -77.8 -11.5 37.2 9.1 90.1 84 84 A H G > S+ 0 0 147 1,-0.3 3,-0.6 2,-0.1 -1,-0.2 0.807 81.6 49.2 -48.8 -42.1 39.1 9.0 86.8 85 85 A Y G X S+ 0 0 48 -3,-0.6 3,-1.3 1,-0.2 6,-0.3 0.454 80.3 96.0 -85.2 -3.5 36.1 9.8 84.6 86 86 A R G < S+ 0 0 123 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.891 91.0 41.1 -56.4 -40.8 34.8 12.8 86.5 87 87 A S G < S+ 0 0 111 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.462 88.3 122.4 -86.0 -2.1 36.5 15.3 84.2 88 88 A D X - 0 0 58 -3,-1.3 3,-1.6 1,-0.1 4,-0.3 -0.376 67.9-131.3 -62.8 132.7 35.7 13.3 81.1 89 89 A L G > S+ 0 0 151 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.868 106.3 60.5 -52.5 -39.8 33.7 15.3 78.5 90 90 A S G > S+ 0 0 63 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.726 87.5 73.0 -64.4 -23.3 31.2 12.5 78.2 91 91 A S G X S+ 0 0 12 -3,-1.6 3,-1.9 -6,-0.3 -1,-0.3 0.673 76.2 80.4 -63.4 -16.8 30.3 12.7 81.9 92 92 A W G < S+ 0 0 217 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.709 77.4 72.3 -65.7 -18.2 28.4 16.0 81.1 93 93 A A G < S+ 0 0 16 -3,-1.6 -1,-0.3 -4,-0.2 2,-0.2 0.724 89.9 76.7 -61.6 -25.9 25.6 13.7 79.9 94 94 A A S < S- 0 0 17 -3,-1.9 -17,-0.2 -4,-0.2 3,-0.1 -0.598 72.9-143.9 -91.7 153.8 24.9 12.9 83.6 95 95 A D S S+ 0 0 57 -19,-2.1 2,-0.3 1,-0.2 -18,-0.2 0.839 87.5 11.2 -78.8 -37.7 23.1 14.9 86.2 96 96 A E E -d 77 0A 37 -20,-1.6 -18,-2.7 2,-0.0 2,-0.4 -0.982 60.3-149.7-141.0 156.3 25.5 13.7 88.9 97 97 A Y E -d 78 0A 16 -2,-0.3 2,-0.4 -20,-0.2 -18,-0.2 -0.993 19.8-178.5-126.8 122.4 28.7 11.7 89.3 98 98 A V E -d 79 0A 3 -20,-3.3 -18,-1.9 -2,-0.4 2,-0.5 -0.975 21.5-141.4-125.0 129.0 29.2 9.6 92.4 99 99 A V E -d 80 0A 42 -2,-0.4 -18,-0.2 -20,-0.2 8,-0.1 -0.800 41.1-102.1 -87.1 128.2 32.2 7.5 93.3 100 100 A K + 0 0 50 -20,-2.7 2,-0.3 -2,-0.5 -1,-0.1 -0.189 47.9 177.4 -52.9 131.6 31.1 4.2 95.0 101 101 A S - 0 0 58 2,-0.1 6,-0.1 1,-0.0 -1,-0.0 -0.973 41.1-127.5-130.7 153.0 31.4 4.3 98.7 102 102 A F S S+ 0 0 196 -2,-0.3 2,-0.7 1,-0.1 -2,-0.1 0.624 102.7 73.6 -73.0 -12.1 30.5 1.7 101.4 103 103 A N S > S- 0 0 94 1,-0.1 3,-0.5 2,-0.0 4,-0.3 -0.935 70.2-169.5 -98.7 111.5 28.7 4.6 103.1 104 104 A F T 3> + 0 0 26 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.400 59.6 99.1 -86.6 3.4 25.6 5.0 100.9 105 105 A D H 3> S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.906 82.7 49.8 -57.1 -44.3 24.4 8.3 102.4 106 106 A E H <> S+ 0 0 79 -3,-0.5 4,-2.3 2,-0.2 5,-0.2 0.956 112.2 46.7 -60.4 -51.0 25.9 10.4 99.6 107 107 A L H > S+ 0 0 7 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.927 113.1 50.2 -53.5 -47.2 24.4 8.3 96.8 108 108 A K H X S+ 0 0 23 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.874 108.5 51.7 -64.1 -38.9 21.0 8.3 98.6 109 109 A E H X S+ 0 0 118 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.919 112.0 46.4 -60.7 -45.7 21.1 12.1 99.0 110 110 A K H X S+ 0 0 44 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.878 112.9 49.3 -66.3 -39.0 21.9 12.6 95.3 111 111 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.949 111.8 48.6 -62.9 -50.1 19.1 10.2 94.3 112 112 A K H < S+ 0 0 151 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.907 110.9 52.7 -54.8 -47.7 16.6 11.9 96.6 113 113 A K H < S+ 0 0 136 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.901 110.2 46.0 -54.3 -48.8 17.7 15.3 95.1 114 114 A L H < 0 0 23 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.783 360.0 360.0 -71.9 -30.2 17.1 14.2 91.5 115 115 A L < 0 0 57 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.617 360.0 360.0 -85.8 360.0 13.7 12.7 92.2