==== 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 DNA BINDING PROTEIN 16-MAR-09 3GN5 . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR MQSA (YGIT/B30 . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR B.L.BROWN,J.M.ARRUDA,W.PETI,R.PAGE . 263 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 2 0.8 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 . 8 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 2 0 1 1 2 0 2 0 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 A H 0 0 212 0, 0.0 2,-0.5 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 87.5 -5.3 -22.1 -21.8 2 1 A M - 0 0 86 10,-0.5 10,-3.1 0, 0.0 2,-0.2 -0.880 360.0-137.1-101.6 127.8 -3.1 -21.7 -18.7 3 2 A K B -A 11 0A 75 -2,-0.5 8,-0.2 8,-0.2 7,-0.1 -0.540 33.4 -94.1 -77.0 144.9 -3.6 -24.2 -15.9 4 3 A C > - 0 0 0 6,-3.0 4,-1.1 -2,-0.2 -1,-0.1 -0.376 27.6-150.8 -62.1 128.3 -3.6 -22.9 -12.3 5 4 A P T 4 S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.416 91.8 47.8 -83.6 2.9 -0.1 -23.2 -10.8 6 5 A V T 4 S+ 0 0 81 37,-0.0 -2,-0.0 0, 0.0 -3,-0.0 0.807 127.0 18.4-102.3 -57.7 -1.5 -23.7 -7.3 7 6 A C T 4 S- 0 0 35 3,-0.1 -3,-0.0 36,-0.0 -4,-0.0 0.647 86.0-146.8 -89.9 -15.6 -4.3 -26.4 -7.6 8 7 A H S < S+ 0 0 145 -4,-1.1 3,-0.1 1,-0.1 -5,-0.1 0.721 79.0 76.3 57.3 24.7 -3.1 -27.7 -11.0 9 8 A Q S S+ 0 0 141 1,-0.1 -1,-0.1 2,-0.0 0, 0.0 0.625 77.5 60.2-122.6 -64.0 -6.7 -28.5 -12.0 10 9 A G S S- 0 0 9 -7,-0.1 -6,-3.0 1,-0.1 2,-0.3 -0.098 77.8-110.4 -71.9 168.0 -8.6 -25.4 -13.0 11 10 A E B -A 3 0A 62 -8,-0.2 28,-2.2 -3,-0.1 2,-0.6 -0.770 25.1-122.3 -96.5 141.5 -8.0 -22.9 -15.8 12 11 A M E -B 38 0B 13 -10,-3.1 -10,-0.5 -2,-0.3 2,-0.4 -0.756 34.4-177.9 -81.9 118.2 -6.8 -19.3 -15.2 13 12 A V E -B 37 0B 73 24,-2.7 24,-2.6 -2,-0.6 2,-0.1 -0.953 28.6-114.1-121.2 136.0 -9.3 -16.8 -16.8 14 13 A S E +B 36 0B 86 -2,-0.4 2,-0.3 22,-0.3 22,-0.2 -0.386 54.4 136.0 -64.4 143.2 -9.0 -13.0 -16.8 15 14 A G E -B 35 0B 24 20,-2.2 20,-1.8 -2,-0.1 2,-0.4 -0.946 52.1-104.4-169.7-176.9 -11.7 -11.2 -14.8 16 15 A I E +B 34 0B 106 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.990 41.3 173.4-133.2 118.3 -12.6 -8.5 -12.3 17 16 A K E -B 33 0B 62 16,-2.4 16,-2.8 -2,-0.4 2,-0.5 -0.929 34.6-124.7-131.7 152.2 -13.4 -9.5 -8.8 18 17 A D E - 0 0 84 -2,-0.3 13,-0.2 14,-0.2 -2,-0.0 -0.841 32.4-155.3 -91.2 129.4 -14.2 -7.9 -5.4 19 18 A I E -B 30 0B 36 11,-3.0 11,-3.9 -2,-0.5 2,-0.1 -0.941 8.8-135.0-117.2 118.0 -11.7 -9.3 -2.9 20 19 A P E -B 29 0B 104 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.447 28.8-176.6 -66.9 142.4 -12.5 -9.4 0.9 21 20 A Y E -B 28 0B 50 7,-2.4 7,-2.3 -2,-0.1 2,-0.4 -0.981 15.2-165.1-148.4 133.9 -9.6 -8.2 3.0 22 21 A T E +B 27 0B 63 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.960 12.1 171.5-119.7 135.1 -9.1 -8.0 6.8 23 22 A F E > -B 26 0B 43 3,-2.6 3,-2.1 -2,-0.4 -2,-0.0 -0.952 69.4 -13.6-146.8 124.0 -6.3 -6.0 8.4 24 23 A R T 3 S- 0 0 125 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.879 129.2 -51.8 49.5 44.7 -5.8 -5.2 12.1 25 24 A G T 3 S+ 0 0 52 1,-0.2 2,-0.4 83,-0.0 -1,-0.3 0.457 115.2 116.6 73.9 1.6 -9.4 -6.4 12.8 26 25 A R E < -B 23 0B 39 -3,-2.1 -3,-2.6 2,-0.0 2,-0.3 -0.884 51.3-150.1-102.6 139.0 -10.9 -4.2 10.2 27 26 A K E +B 22 0B 154 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.777 22.0 158.3-109.6 144.7 -12.8 -5.6 7.1 28 27 A T E -B 21 0B 50 -7,-2.3 -7,-2.4 -2,-0.3 2,-0.5 -0.936 36.4-121.4-148.5 171.3 -13.1 -4.2 3.6 29 28 A V E -B 20 0B 56 -2,-0.3 2,-0.9 -9,-0.2 -2,-0.0 -0.990 20.6-141.6-117.8 120.2 -13.9 -5.3 0.1 30 29 A L E -B 19 0B 4 -11,-3.9 -11,-3.0 -2,-0.5 3,-0.5 -0.754 32.8-143.9 -80.8 110.6 -11.2 -4.5 -2.4 31 30 A K E + 0 0 117 -2,-0.9 -13,-0.2 -13,-0.2 -14,-0.1 -0.502 59.0 0.9 -89.8 141.5 -13.4 -3.6 -5.4 32 31 A G E S- 0 0 35 1,-0.2 2,-0.6 -2,-0.2 -1,-0.2 0.852 72.9-179.5 61.8 43.0 -13.0 -4.2 -9.1 33 32 A I E -B 17 0B 6 -16,-2.8 -16,-2.4 -3,-0.5 2,-0.3 -0.688 14.9-149.0 -84.4 114.8 -9.7 -6.1 -9.0 34 33 A H E +B 16 0B 100 -2,-0.6 2,-0.3 -18,-0.2 -18,-0.2 -0.642 42.2 106.8 -76.4 138.1 -8.3 -7.1 -12.4 35 34 A G E S-B 15 0B 0 -20,-1.8 -20,-2.2 -2,-0.3 2,-0.4 -0.955 71.3 -73.1 176.2 176.0 -6.3 -10.3 -12.7 36 35 A L E -BC 14 45B 52 9,-3.1 9,-2.5 -2,-0.3 2,-0.4 -0.811 50.1-164.4 -83.2 134.9 -6.3 -13.9 -13.9 37 36 A Y E -BC 13 44B 13 -24,-2.6 -24,-2.7 -2,-0.4 2,-0.4 -0.980 20.9-120.1-125.6 137.6 -8.4 -16.1 -11.6 38 37 A C E > -B 12 0B 3 5,-2.3 4,-1.6 -2,-0.4 -26,-0.2 -0.599 14.2-148.0 -71.9 126.3 -8.5 -19.9 -11.3 39 38 A V T 4 S+ 0 0 99 -28,-2.2 -1,-0.2 -2,-0.4 -27,-0.1 0.810 96.4 42.2 -62.5 -28.2 -12.0 -21.2 -12.0 40 39 A H T 4 S+ 0 0 111 -29,-0.2 -1,-0.1 1,-0.1 -28,-0.0 0.939 133.4 10.0 -87.6 -51.6 -11.4 -24.0 -9.5 41 40 A C T 4 S- 0 0 48 2,-0.1 -2,-0.1 0, 0.0 -1,-0.1 0.433 89.5-123.8-112.5 -0.1 -9.7 -22.5 -6.4 42 41 A E < + 0 0 136 -4,-1.6 -3,-0.1 1,-0.2 -30,-0.0 0.624 48.9 163.5 67.2 13.2 -9.9 -18.7 -7.1 43 42 A E - 0 0 82 -6,-0.1 -5,-2.3 1,-0.1 2,-0.3 -0.427 29.9-138.1 -56.8 139.5 -6.1 -18.2 -6.9 44 43 A S E -C 37 0B 41 -7,-0.2 2,-0.4 -32,-0.1 -7,-0.2 -0.845 18.0-167.6-108.2 143.2 -5.3 -14.8 -8.4 45 44 A I E -C 36 0B 53 -9,-2.5 -9,-3.1 -2,-0.3 2,-0.4 -0.991 12.0-172.0-129.3 119.4 -2.4 -14.0 -10.8 46 45 A M - 0 0 41 -2,-0.4 -11,-0.1 -11,-0.2 -2,-0.0 -0.947 13.9-139.5-119.6 132.5 -1.7 -10.3 -11.4 47 46 A N > - 0 0 81 -2,-0.4 4,-2.8 1,-0.0 5,-0.2 -0.040 45.4 -81.3 -74.2-177.5 0.7 -8.8 -13.8 48 47 A K H > S+ 0 0 161 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.912 130.3 41.0 -55.1 -46.2 2.8 -5.7 -13.0 49 48 A E H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.871 115.5 49.2 -71.2 -44.9 0.1 -3.2 -13.7 50 49 A E H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.889 110.5 52.0 -62.0 -38.8 -2.7 -5.2 -12.0 51 50 A S H X S+ 0 0 38 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.853 107.9 51.9 -67.7 -38.0 -0.4 -5.7 -9.0 52 51 A D H X S+ 0 0 110 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.892 111.4 46.3 -60.1 -49.1 0.2 -1.9 -8.8 53 52 A A H X S+ 0 0 66 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.955 116.1 45.8 -58.8 -52.8 -3.5 -1.2 -8.8 54 53 A F H X S+ 0 0 36 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.927 113.3 47.9 -54.4 -52.7 -4.2 -3.9 -6.2 55 54 A M H X S+ 0 0 64 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.855 107.5 56.0 -65.3 -33.2 -1.4 -2.9 -3.9 56 55 A A H X S+ 0 0 63 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.929 111.4 44.8 -60.0 -43.3 -2.4 0.8 -4.0 57 56 A Q H X S+ 0 0 69 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.936 114.9 47.7 -67.4 -44.0 -5.9 -0.3 -2.8 58 57 A V H X S+ 0 0 4 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.953 114.9 45.5 -59.6 -49.0 -4.5 -2.6 -0.1 59 58 A K H X S+ 0 0 125 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.821 108.6 55.2 -70.1 -31.6 -2.0 0.0 1.1 60 59 A A H X S+ 0 0 64 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.900 110.4 48.1 -65.3 -38.7 -4.6 2.8 1.1 61 60 A F H X S+ 0 0 31 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.941 112.1 47.6 -65.4 -46.6 -6.8 0.6 3.4 62 61 A R H X S+ 0 0 80 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.900 111.2 51.9 -58.8 -44.9 -3.8 -0.2 5.7 63 62 A A H X S+ 0 0 60 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.868 111.1 47.1 -58.7 -42.4 -2.9 3.5 6.0 64 63 A S H X S+ 0 0 69 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.940 112.8 48.2 -71.2 -43.6 -6.4 4.5 6.9 65 64 A V H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.933 113.3 48.5 -60.4 -47.0 -6.8 1.7 9.5 66 65 A N H < S+ 0 0 70 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.859 111.7 48.9 -59.8 -41.1 -3.4 2.6 11.1 67 66 A A H < S+ 0 0 75 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.840 115.8 43.9 -67.6 -35.7 -4.3 6.4 11.2 68 67 A E H < S+ 0 0 43 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.865 98.8 86.7 -77.4 -36.7 -7.7 5.6 12.8 69 68 A T < - 0 0 17 -4,-2.6 2,-0.3 -5,-0.2 40,-0.0 -0.278 67.5-147.7 -67.6 144.8 -6.3 3.1 15.3 70 69 A V - 0 0 16 1,-0.0 -1,-0.1 2,-0.0 -2,-0.1 -0.847 19.8-105.0-115.6 152.7 -5.0 4.3 18.6 71 70 A A >> - 0 0 49 -2,-0.3 4,-1.7 1,-0.1 3,-0.6 -0.404 25.8-119.8 -71.2 145.8 -2.1 2.9 20.8 72 71 A P H 3> S+ 0 0 38 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.900 117.2 58.7 -43.8 -42.1 -3.0 0.9 24.0 73 72 A E H 3> S+ 0 0 138 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.835 102.5 51.1 -61.8 -36.9 -1.0 3.6 25.8 74 73 A F H <> S+ 0 0 42 -3,-0.6 4,-2.6 2,-0.2 5,-0.2 0.909 108.4 52.1 -65.8 -43.8 -3.3 6.3 24.5 75 74 A I H X S+ 0 0 3 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.925 111.2 47.1 -58.5 -47.4 -6.4 4.4 25.7 76 75 A V H X S+ 0 0 37 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.902 112.1 50.7 -60.4 -44.7 -4.8 4.1 29.2 77 76 A K H X S+ 0 0 96 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.907 111.5 46.2 -63.6 -45.4 -3.9 7.8 29.3 78 77 A V H X S+ 0 0 0 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.938 113.8 49.5 -65.2 -43.6 -7.3 9.0 28.3 79 78 A R H ><>S+ 0 0 27 -4,-2.5 5,-1.8 -5,-0.2 3,-0.6 0.934 113.4 45.6 -57.8 -45.4 -8.9 6.6 30.8 80 79 A K H ><5S+ 0 0 141 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.871 105.4 60.9 -70.3 -35.6 -6.6 7.8 33.6 81 80 A K H 3<5S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.767 109.5 44.4 -55.7 -28.5 -7.2 11.5 32.6 82 81 A L T <<5S- 0 0 15 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.370 111.6-124.7 -97.7 3.7 -10.8 10.8 33.4 83 82 A S T < 5 + 0 0 108 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.861 60.3 147.3 48.7 47.2 -10.0 8.9 36.7 84 83 A L < - 0 0 7 -5,-1.8 -1,-0.2 4,-0.0 -2,-0.1 -0.827 46.7-130.0-110.5 144.5 -11.9 5.8 35.5 85 84 A T > - 0 0 73 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.359 37.0-102.5 -75.7 170.3 -11.3 2.2 36.2 86 85 A Q H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 14,-0.4 0.881 123.5 51.9 -63.3 -34.6 -11.2 -0.2 33.2 87 86 A K H > S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.898 109.8 46.8 -69.0 -42.8 -14.7 -1.4 34.2 88 87 A E H > S+ 0 0 68 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.918 112.8 50.2 -66.1 -42.3 -16.2 2.1 34.4 89 88 A A H X>S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.7 0.907 108.6 51.3 -62.1 -44.5 -14.6 3.0 31.0 90 89 A S H X5S+ 0 0 6 -4,-2.1 4,-1.6 1,-0.2 6,-0.5 0.942 115.5 43.7 -57.2 -45.7 -15.9 -0.1 29.3 91 90 A E H <5S+ 0 0 107 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.905 119.0 42.5 -63.0 -45.6 -19.4 0.8 30.6 92 91 A I H <5S+ 0 0 12 -4,-3.1 -2,-0.2 -5,-0.1 -3,-0.2 0.902 127.6 26.7 -74.5 -43.8 -19.1 4.5 29.8 93 92 A F H <5S- 0 0 0 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.848 110.2-118.1 -88.4 -36.3 -17.5 4.3 26.3 94 93 A G << + 0 0 5 -4,-1.6 -1,-0.2 -5,-0.7 -2,-0.1 -0.372 66.8 119.3 116.2 161.4 -18.8 0.9 25.2 95 94 A G S S- 0 0 26 -2,-0.1 2,-0.1 -4,-0.1 -4,-0.1 0.134 71.9 -98.9 135.4 -21.4 -17.2 -2.4 24.3 96 95 A G > - 0 0 45 -6,-0.5 3,-1.9 2,-0.0 4,-0.3 -0.338 66.8 -25.0 101.3 176.0 -18.6 -4.9 26.8 97 96 A V T 3 S+ 0 0 130 1,-0.3 -10,-0.1 2,-0.1 -2,-0.0 -0.385 134.9 8.9 -61.5 134.3 -17.2 -6.4 30.0 98 97 A N T 3> S+ 0 0 101 -2,-0.1 4,-1.9 3,-0.1 -1,-0.3 0.626 88.2 133.4 67.7 12.2 -13.4 -6.4 30.0 99 98 A A H <> S+ 0 0 0 -3,-1.9 4,-2.7 1,-0.2 3,-0.2 0.979 75.4 39.9 -56.7 -53.7 -13.4 -4.2 26.9 100 99 A F H > S+ 0 0 0 -14,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.815 109.9 58.6 -70.7 -30.7 -10.7 -1.8 28.2 101 100 A S H > S+ 0 0 22 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.912 113.3 41.0 -61.2 -40.0 -8.7 -4.6 29.9 102 101 A R H <>S+ 0 0 94 -4,-1.9 5,-2.5 -3,-0.2 6,-0.6 0.906 114.0 52.2 -71.4 -44.4 -8.4 -6.1 26.4 103 102 A Y H ><5S+ 0 0 9 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.841 108.8 50.8 -59.2 -36.2 -7.8 -2.8 24.6 104 103 A E H 3<5S+ 0 0 27 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.710 106.7 52.6 -82.7 -20.2 -5.0 -1.8 27.0 105 104 A K T 3<5S- 0 0 149 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.460 116.1-114.9 -83.5 -4.6 -3.1 -5.1 26.5 106 105 A G T < 5S+ 0 0 47 -3,-0.7 -3,-0.2 -4,-0.4 -2,-0.1 0.697 83.7 123.6 77.0 22.5 -3.3 -4.5 22.7 107 106 A N < + 0 0 120 -5,-2.5 2,-0.3 -6,-0.2 -4,-0.2 0.415 68.1 23.3 -98.4 -1.0 -5.5 -7.6 22.5 108 107 A A - 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