==== 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 TRANSCRIPTION REGULATOR 02-JUL-09 3I4P . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, ASNC FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR. C58; . AUTHOR M.CYMBOROWSKI,M.CHRUSZCZ,H.LUO,X.XU,A.SAVCHENKO,A.EDWARDS, . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 62.1 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 . 22 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 7 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 1 0 1 0 0 2 1 0 0 0 0 0 0 0 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 . 0 0 0 0 1 1 1 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 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 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 X 0 0 153 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.6 20.9 40.5 3.5 2 2 A D > - 0 0 73 1,-0.0 4,-1.8 0, 0.0 3,-0.3 -0.751 360.0 -90.8-130.4-176.0 21.4 41.7 7.1 3 3 A R H > S+ 0 0 134 1,-0.2 4,-1.8 -2,-0.2 5,-0.1 0.773 122.5 54.5 -70.9 -29.2 19.4 41.5 10.4 4 4 A L H > S+ 0 0 50 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.834 106.4 52.7 -69.8 -34.5 17.6 44.8 9.8 5 5 A D H > S+ 0 0 11 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.899 108.0 52.4 -64.1 -41.7 16.4 43.6 6.4 6 6 A R H X S+ 0 0 57 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.905 106.7 51.0 -60.0 -44.9 15.0 40.6 8.2 7 7 A K H X S+ 0 0 100 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.897 112.2 48.5 -59.0 -42.1 13.1 42.8 10.8 8 8 A I H >X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 3,-0.5 0.955 113.1 46.3 -61.1 -51.7 11.6 44.7 7.8 9 9 A L H 3X S+ 0 0 13 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.818 104.7 61.3 -61.3 -35.0 10.6 41.5 6.0 10 10 A R H 3< S+ 0 0 108 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.877 112.3 37.7 -63.0 -36.5 9.1 39.9 9.1 11 11 A I H XX S+ 0 0 32 -4,-1.2 4,-2.2 -3,-0.5 3,-1.4 0.913 113.3 56.0 -77.9 -45.0 6.6 42.7 9.3 12 12 A L H 3< S+ 0 0 24 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.890 104.6 53.4 -58.7 -39.2 6.1 43.0 5.5 13 13 A Q T 3< S+ 0 0 54 -4,-2.6 -1,-0.3 1,-0.2 132,-0.2 0.691 115.6 41.5 -65.5 -23.7 5.1 39.3 5.3 14 14 A E T <4 S- 0 0 117 -3,-1.4 2,-0.3 -4,-0.3 -2,-0.2 0.754 135.7 -3.0 -89.5 -32.8 2.5 40.0 8.0 15 15 A D < - 0 0 69 -4,-2.2 -1,-0.3 1,-0.0 3,-0.3 -0.830 47.9-178.5-169.4 113.0 1.1 43.3 6.8 16 16 A S S S+ 0 0 47 -2,-0.3 -4,-0.1 35,-0.2 -3,-0.1 0.223 70.2 87.4-102.3 13.7 2.2 45.5 3.8 17 17 A T + 0 0 116 -5,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.695 58.5 111.4 -88.4 -16.3 -0.2 48.3 4.6 18 18 A L S S- 0 0 49 -3,-0.3 2,-0.1 1,-0.1 -3,-0.0 -0.212 77.1-109.1 -61.9 141.5 1.9 50.3 7.0 19 19 A A >> - 0 0 60 1,-0.1 4,-2.0 4,-0.0 3,-1.0 -0.441 32.6-117.0 -61.7 144.0 3.1 53.7 5.9 20 20 A V H 3> S+ 0 0 51 1,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.846 114.8 58.3 -59.7 -33.1 6.9 53.4 5.4 21 21 A A H 3> S+ 0 0 47 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.810 107.0 46.6 -63.7 -33.6 7.5 55.9 8.3 22 22 A D H <> S+ 0 0 94 -3,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.863 111.1 51.0 -78.4 -35.4 5.6 53.7 10.8 23 23 A L H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.933 107.3 55.3 -61.5 -47.7 7.4 50.5 9.7 24 24 A A H X>S+ 0 0 1 -4,-2.4 5,-2.5 1,-0.2 4,-0.6 0.941 108.7 47.1 -46.2 -56.4 10.8 52.5 10.1 25 25 A K H ><5S+ 0 0 97 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.884 109.9 53.1 -56.8 -43.5 9.8 53.3 13.8 26 26 A K H 3<5S+ 0 0 115 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.857 114.0 42.9 -64.6 -32.0 8.8 49.6 14.4 27 27 A V H 3<5S- 0 0 3 -4,-2.1 -1,-0.2 -3,-0.5 -2,-0.2 0.374 118.2-107.7 -94.4 5.8 12.2 48.4 13.1 28 28 A G T <<5S+ 0 0 69 -3,-1.0 2,-0.3 -4,-0.6 -3,-0.2 0.765 79.1 121.5 79.2 27.3 14.4 51.1 14.9 29 29 A L < - 0 0 37 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.853 66.2-112.3-123.9 150.8 15.2 53.0 11.7 30 30 A S > - 0 0 80 -2,-0.3 4,-1.4 -3,-0.1 5,-0.1 -0.410 43.7-106.9 -69.5 162.3 14.8 56.5 10.3 31 31 A T H > S+ 0 0 58 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.925 110.2 50.4 -66.3 -49.3 12.3 56.6 7.3 32 32 A T H > S+ 0 0 89 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.937 111.2 47.1 -60.3 -52.4 14.7 57.1 4.3 33 33 A P H > S+ 0 0 51 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.834 113.8 50.6 -57.2 -33.3 17.1 54.2 5.2 34 34 A C H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 3,-0.3 0.958 112.0 45.7 -66.9 -51.3 14.1 52.0 5.7 35 35 A W H X S+ 0 0 129 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.928 111.2 52.9 -54.0 -49.1 12.6 53.0 2.4 36 36 A R H X S+ 0 0 98 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.834 108.5 50.8 -59.6 -33.5 15.9 52.5 0.6 37 37 A R H X S+ 0 0 60 -4,-1.5 4,-1.8 -3,-0.3 -1,-0.2 0.880 110.6 48.6 -69.4 -41.1 16.2 49.0 2.1 38 38 A I H X S+ 0 0 12 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.916 110.1 51.7 -65.4 -46.3 12.8 48.0 0.9 39 39 A Q H X S+ 0 0 71 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.886 108.9 50.7 -55.5 -46.0 13.5 49.4 -2.6 40 40 A K H X S+ 0 0 96 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.899 110.4 49.7 -59.6 -43.4 16.7 47.3 -2.8 41 41 A X H <>S+ 0 0 10 -4,-1.8 5,-1.7 2,-0.2 6,-1.3 0.827 112.1 47.5 -70.1 -32.5 14.8 44.2 -1.8 42 42 A E H ><5S+ 0 0 87 -4,-1.9 3,-0.9 3,-0.2 -2,-0.2 0.936 113.4 47.5 -67.7 -52.1 12.1 44.8 -4.4 43 43 A E H 3<5S+ 0 0 138 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.892 114.1 47.4 -54.3 -45.7 14.7 45.5 -7.2 44 44 A D T 3<5S- 0 0 100 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.575 114.4-121.2 -72.5 -13.7 16.6 42.3 -6.2 45 45 A G T < 5S+ 0 0 42 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.564 77.7 125.2 81.5 10.9 13.3 40.4 -6.1 46 46 A V S - 0 0 73 -2,-0.2 4,-1.4 1,-0.1 3,-0.4 -0.741 22.6-152.2 -85.5 117.4 -11.0 34.6 3.0 56 56 A P T 4>S+ 0 0 42 0, 0.0 5,-2.9 0, 0.0 4,-0.2 0.843 95.9 55.8 -62.8 -34.1 -11.8 31.3 1.2 57 57 A V T >45S+ 0 0 103 1,-0.2 3,-0.6 3,-0.2 5,-0.2 0.884 110.0 47.3 -62.1 -36.7 -15.1 30.9 3.2 58 58 A K T 345S+ 0 0 165 -3,-0.4 -1,-0.2 1,-0.2 4,-0.0 0.709 113.2 45.1 -84.1 -19.9 -16.2 34.4 1.9 59 59 A V T 3<5S- 0 0 76 -4,-1.4 -1,-0.2 -3,-0.0 -2,-0.2 0.259 116.3-111.6-103.6 14.4 -15.3 33.8 -1.8 60 60 A N T < 5S+ 0 0 99 -3,-0.6 -3,-0.2 -4,-0.2 -2,-0.1 0.853 87.1 113.1 64.0 40.5 -16.9 30.4 -1.7 61 61 A T < + 0 0 41 -5,-2.9 -4,-0.2 -6,-0.1 49,-0.1 -0.291 29.3 137.3-128.1 49.6 -13.8 28.3 -2.1 62 62 A K + 0 0 121 -6,-0.2 2,-0.4 -5,-0.2 -5,-0.1 0.561 45.9 81.7 -80.9 -13.9 -13.8 26.6 1.3 63 63 A V E -A 110 0A 31 47,-3.1 47,-2.0 -7,-0.1 2,-0.4 -0.818 59.8-161.2 -97.6 131.8 -12.9 23.0 0.4 64 64 A T E -A 109 0A 13 -2,-0.4 73,-2.9 73,-0.3 2,-0.4 -0.953 6.9-172.2-106.5 132.8 -9.3 22.0 -0.2 65 65 A V E -AB 108 136A 0 43,-2.8 43,-3.0 -2,-0.4 2,-0.6 -0.986 14.3-148.8-123.0 132.8 -8.5 18.8 -2.2 66 66 A F E -AB 107 135A 81 69,-3.5 69,-2.3 -2,-0.4 2,-0.7 -0.923 16.8-158.7-102.4 116.4 -5.0 17.4 -2.5 67 67 A V E -AB 106 134A 0 39,-2.5 39,-2.7 -2,-0.6 2,-0.5 -0.875 2.9-159.2-104.6 115.8 -4.7 15.7 -5.8 68 68 A S E -AB 105 133A 33 65,-3.4 65,-2.4 -2,-0.7 2,-0.4 -0.855 14.3-166.6 -94.8 120.6 -2.0 13.1 -6.2 69 69 A I E -AB 104 132A 0 35,-2.8 35,-2.3 -2,-0.5 34,-1.7 -0.853 14.7-168.7-114.2 137.3 -1.0 12.3 -9.9 70 70 A R E - B 0 131A 46 61,-2.8 61,-1.7 -2,-0.4 60,-0.5 -0.990 14.7-163.9-118.3 137.6 1.0 9.6 -11.5 71 71 A T - 0 0 8 -2,-0.4 2,-0.1 58,-0.2 58,-0.1 -0.593 18.9-115.5-111.2 164.0 2.0 9.9 -15.1 72 72 A A - 0 0 53 56,-0.3 2,-0.3 -2,-0.2 -1,-0.1 -0.370 58.0 -67.4 -81.3 178.2 3.3 7.4 -17.7 73 73 A S S S+ 0 0 122 -2,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.580 71.8 169.0 -65.3 131.2 6.9 7.8 -19.1 74 74 A H - 0 0 79 -2,-0.3 -3,-0.0 -3,-0.1 5,-0.0 -0.990 35.6 -92.9-148.6 155.7 6.9 11.0 -21.2 75 75 A S > - 0 0 73 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.195 40.4-109.5 -63.0 157.4 9.2 13.4 -23.0 76 76 A I H > S+ 0 0 88 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.790 122.5 52.7 -56.5 -30.6 10.6 16.6 -21.4 77 77 A E H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.838 105.6 50.9 -74.6 -40.7 8.2 18.5 -23.7 78 78 A W H > S+ 0 0 56 2,-0.2 4,-3.1 -3,-0.2 5,-0.2 0.929 111.7 48.2 -60.0 -49.1 5.1 16.5 -22.8 79 79 A L H X S+ 0 0 55 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.924 110.2 53.4 -59.0 -40.6 5.9 17.2 -19.1 80 80 A K H X S+ 0 0 45 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.886 115.3 39.6 -61.0 -38.4 6.4 20.9 -20.0 81 81 A R H X S+ 0 0 143 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.826 112.5 54.7 -80.9 -36.9 2.9 21.0 -21.7 82 82 A F H X S+ 0 0 7 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.942 112.0 44.9 -56.8 -47.6 1.2 18.9 -19.0 83 83 A S H X S+ 0 0 42 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.835 110.7 54.0 -74.5 -29.1 2.4 21.3 -16.3 84 84 A E H X S+ 0 0 69 -4,-1.4 4,-0.9 -5,-0.2 -1,-0.2 0.874 111.8 44.7 -64.8 -39.6 1.4 24.4 -18.4 85 85 A V H X S+ 0 0 31 -4,-2.0 4,-0.5 2,-0.2 3,-0.3 0.884 114.1 47.4 -79.0 -37.0 -2.2 23.1 -18.8 86 86 A V H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 6,-0.2 0.927 109.9 56.6 -63.6 -39.0 -2.6 22.1 -15.2 87 87 A S H 3< S+ 0 0 71 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.750 95.8 64.2 -62.4 -27.3 -1.1 25.5 -14.2 88 88 A E H 3< S+ 0 0 143 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.761 77.3 100.3 -71.5 -23.0 -3.8 27.4 -16.1 89 89 A F X< - 0 0 18 -3,-1.3 3,-1.3 -4,-0.5 30,-0.0 -0.474 66.0-150.3 -69.3 125.1 -6.6 26.2 -13.9 90 90 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 19,-0.0 0.790 95.5 60.5 -65.6 -25.6 -7.5 28.9 -11.4 91 91 A E T 3 S+ 0 0 44 1,-0.1 18,-1.6 17,-0.1 2,-1.1 0.640 83.9 84.8 -73.1 -18.2 -8.5 26.2 -8.9 92 92 A V E < +C 108 0A 15 -3,-1.3 16,-0.2 -6,-0.2 3,-0.1 -0.767 53.1 166.9 -88.0 101.8 -5.0 24.7 -8.9 93 93 A V E + 0 0 67 14,-2.3 2,-0.3 -2,-1.1 -1,-0.2 0.717 64.6 23.7 -93.6 -19.2 -3.5 27.0 -6.3 94 94 A E E -C 107 0A 56 13,-1.4 13,-2.3 -3,-0.2 2,-0.3 -0.993 64.2-178.9-146.6 145.3 -0.3 24.9 -5.7 95 95 A F E -C 106 0A 46 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.957 5.6-179.2-154.6 119.0 1.4 22.4 -8.0 96 96 A Y E -C 105 0A 115 9,-2.6 9,-2.6 -2,-0.3 2,-0.6 -0.973 28.7-137.6-129.8 140.4 4.5 20.4 -7.3 97 97 A R E -C 104 0A 199 -2,-0.4 7,-0.3 7,-0.2 2,-0.2 -0.850 42.4-158.5 -87.8 120.7 6.6 17.9 -9.1 98 98 A X - 0 0 86 5,-2.5 2,-0.3 -2,-0.6 0, 0.0 -0.593 20.7-141.6-105.1 163.3 7.3 15.3 -6.3 99 99 A S + 0 0 110 -2,-0.2 3,-0.4 5,-0.0 2,-0.2 -0.711 69.6 46.0-105.2 165.3 9.7 12.6 -5.5 100 100 A G S S- 0 0 65 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 -0.616 117.4 -25.3 100.5-158.9 8.5 9.4 -3.9 101 101 A D S S+ 0 0 155 -2,-0.2 2,-0.3 -31,-0.0 -1,-0.2 0.776 124.4 62.2 -62.3 -29.4 5.4 7.3 -4.9 102 102 A V - 0 0 34 -3,-0.4 -32,-0.2 1,-0.1 3,-0.1 -0.801 63.8-157.0-107.3 142.9 3.6 10.2 -6.5 103 103 A D S S+ 0 0 58 -34,-1.7 -5,-2.5 -2,-0.3 2,-0.3 0.846 78.7 15.1 -83.3 -44.3 4.8 12.2 -9.5 104 104 A Y E -AC 69 97A 14 -35,-2.3 -35,-2.8 -7,-0.3 2,-0.4 -0.988 58.9-159.2-135.3 146.9 2.8 15.4 -8.9 105 105 A L E -AC 68 96A 45 -9,-2.6 -9,-2.6 -2,-0.3 2,-0.4 -0.993 14.0-173.6-124.5 124.3 0.9 16.9 -6.0 106 106 A L E -AC 67 95A 1 -39,-2.7 -39,-2.5 -2,-0.4 2,-0.5 -0.903 16.8-150.1-111.7 144.3 -1.8 19.6 -6.5 107 107 A R E -AC 66 94A 22 -13,-2.3 -14,-2.3 -2,-0.4 -13,-1.4 -0.987 23.7-173.7-107.3 125.0 -3.7 21.6 -4.0 108 108 A V E -AC 65 92A 0 -43,-3.0 -43,-2.8 -2,-0.5 2,-0.4 -0.918 11.3-156.5-122.1 138.3 -7.2 22.5 -5.4 109 109 A V E +A 64 0A 22 -18,-1.6 -45,-0.2 -2,-0.4 -47,-0.1 -0.972 25.6 146.0-121.0 137.7 -9.8 24.8 -3.9 110 110 A V E -A 63 0A 5 -47,-2.0 -47,-3.1 -2,-0.4 -49,-0.1 -0.925 53.6-109.9-155.4 165.2 -13.6 24.6 -4.6 111 111 A P S S- 0 0 28 0, 0.0 2,-0.3 0, 0.0 -50,-0.1 0.815 89.2 -15.6 -74.3 -30.5 -16.9 25.2 -2.7 112 112 A D S > S- 0 0 74 -49,-0.1 4,-1.7 -52,-0.1 5,-0.1 -0.941 75.8 -81.0-163.4 173.3 -17.9 21.6 -2.5 113 113 A I H > S+ 0 0 120 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.899 123.6 53.1 -55.8 -45.8 -17.6 17.9 -3.8 114 114 A A H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.914 108.0 50.2 -60.3 -43.5 -19.8 18.6 -6.8 115 115 A A H > S+ 0 0 27 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.843 112.2 49.7 -60.6 -35.2 -17.6 21.6 -7.8 116 116 A Y H X S+ 0 0 14 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.931 107.4 52.7 -68.6 -49.4 -14.6 19.3 -7.4 117 117 A D H X S+ 0 0 81 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.932 111.9 45.8 -48.5 -49.3 -16.1 16.6 -9.6 118 118 A A H X S+ 0 0 46 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.787 112.1 51.4 -69.3 -28.1 -16.7 19.2 -12.4 119 119 A F H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 3,-0.3 0.956 108.9 51.2 -68.9 -52.2 -13.2 20.6 -12.0 120 120 A Y H X S+ 0 0 68 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.836 107.5 53.2 -49.1 -44.6 -11.7 17.1 -12.3 121 121 A K H X S+ 0 0 121 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.855 110.7 46.7 -62.9 -38.9 -13.8 16.5 -15.5 122 122 A R H X S+ 0 0 111 -4,-1.3 4,-1.0 -3,-0.3 -2,-0.2 0.917 114.1 48.1 -68.5 -42.0 -12.4 19.6 -17.1 123 123 A X H >X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 3,-0.7 0.925 111.3 48.7 -60.0 -48.3 -8.8 18.7 -16.0 124 124 A I H 3< S+ 0 0 34 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.728 103.7 60.5 -74.4 -22.0 -9.0 15.2 -17.3 125 125 A A H 3< S+ 0 0 89 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.851 112.2 41.2 -65.2 -31.6 -10.4 16.3 -20.7 126 126 A K H << S+ 0 0 133 -4,-1.0 2,-0.3 -3,-0.7 -2,-0.2 0.550 119.9 33.7 -96.5 -14.5 -7.2 18.3 -21.2 127 127 A I < - 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