==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 09-JAN-11 3Q9S . COMPND 2 MOLECULE: DNA-BINDING RESPONSE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR Y.LIU,Z.Q.GAO,Y.H.DONG,C.N.JI . 210 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1.0 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 . 14 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 1 2 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 3 A E 0 0 193 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 128.9 -22.4 27.3 -2.5 2 4 A Q - 0 0 74 23,-0.3 25,-2.1 45,-0.0 2,-0.4 -0.590 360.0-135.2 -84.6 140.5 -19.9 29.0 -0.2 3 5 A R E -a 27 0A 89 -2,-0.3 44,-2.1 23,-0.2 45,-1.2 -0.776 16.5-166.0-101.3 138.1 -16.9 27.1 1.0 4 6 A I E -ab 28 48A 2 23,-2.8 25,-2.6 -2,-0.4 2,-0.6 -0.982 10.4-150.6-127.4 128.6 -15.6 27.2 4.6 5 7 A L E -ab 29 49A 2 43,-2.6 45,-3.0 -2,-0.4 2,-0.6 -0.856 12.9-157.9 -95.1 121.1 -12.3 26.0 6.0 6 8 A V E -ab 30 50A 3 23,-3.3 25,-2.8 -2,-0.6 2,-0.8 -0.885 6.0-168.7-103.6 117.8 -12.5 24.8 9.6 7 9 A I E +ab 31 51A 5 43,-3.2 45,-2.5 -2,-0.6 2,-0.4 -0.852 31.7 139.6-107.6 97.7 -9.2 24.8 11.4 8 10 A E - 0 0 4 23,-1.9 45,-0.1 -2,-0.8 6,-0.1 -0.987 40.0-163.5-145.6 122.7 -9.8 23.0 14.6 9 11 A D S S+ 0 0 81 -2,-0.4 2,-0.9 43,-0.3 23,-0.1 0.705 76.1 85.1 -84.4 -18.4 -7.6 20.5 16.4 10 12 A D > - 0 0 69 1,-0.2 4,-2.3 42,-0.1 3,-0.2 -0.753 67.4-160.9 -84.1 108.4 -10.4 19.2 18.6 11 13 A H H > S+ 0 0 98 -2,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.778 85.7 55.2 -66.1 -29.8 -12.1 16.5 16.3 12 14 A D H > S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.921 111.3 44.7 -68.0 -43.0 -15.4 16.4 18.2 13 15 A I H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.895 110.0 55.8 -67.0 -39.7 -15.8 20.2 17.8 14 16 A A H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.929 107.8 49.0 -57.7 -46.4 -14.8 20.0 14.2 15 17 A N H X S+ 0 0 81 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.907 111.4 48.6 -60.3 -44.2 -17.5 17.4 13.5 16 18 A V H X S+ 0 0 75 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.919 112.1 48.9 -63.3 -43.6 -20.2 19.5 15.2 17 19 A L H X S+ 0 0 8 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.890 111.5 51.0 -62.0 -39.6 -19.1 22.6 13.3 18 20 A R H X S+ 0 0 86 -4,-2.4 4,-3.2 -5,-0.2 5,-0.3 0.960 111.9 45.4 -62.7 -52.5 -19.2 20.6 10.1 19 21 A X H X S+ 0 0 117 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.940 116.3 45.6 -54.5 -52.0 -22.7 19.3 10.7 20 22 A D H < S+ 0 0 43 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.905 118.2 41.3 -63.7 -43.7 -24.1 22.7 11.7 21 23 A L H ><>S+ 0 0 0 -4,-2.6 5,-1.6 -5,-0.2 3,-0.9 0.895 114.7 51.2 -73.3 -40.6 -22.5 24.6 8.9 22 24 A T H ><5S+ 0 0 65 -4,-3.2 3,-2.6 -5,-0.3 -2,-0.2 0.916 104.2 58.3 -59.2 -44.2 -23.3 21.9 6.3 23 25 A D T 3<5S+ 0 0 128 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.701 102.6 55.9 -60.1 -17.8 -26.9 21.9 7.4 24 26 A A T < 5S- 0 0 48 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.327 128.7 -97.3 -97.3 6.4 -26.9 25.6 6.5 25 27 A G T < 5S+ 0 0 42 -3,-2.6 -23,-0.3 1,-0.3 2,-0.3 0.712 78.9 133.3 89.1 22.6 -25.8 24.9 3.0 26 28 A Y < - 0 0 25 -5,-1.6 2,-0.5 -8,-0.1 -1,-0.3 -0.797 55.5-127.4-101.4 146.8 -22.1 25.4 3.2 27 29 A V E -a 3 0A 49 -25,-2.1 -23,-2.8 -2,-0.3 2,-0.4 -0.810 34.5-158.0 -86.0 133.3 -19.4 23.2 1.9 28 30 A V E -a 4 0A 19 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.946 17.2-173.9-124.0 132.8 -17.0 22.4 4.7 29 31 A D E -a 5 0A 40 -25,-2.6 -23,-3.3 -2,-0.4 2,-0.4 -0.925 17.5-140.3-118.8 150.4 -13.4 21.3 4.8 30 32 A H E -a 6 0A 32 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.886 15.9-174.8-117.1 141.6 -11.4 20.4 7.9 31 33 A A E -a 7 0A 2 -25,-2.8 -23,-1.9 -2,-0.4 6,-0.1 -0.989 8.5-164.4-129.2 122.9 -7.9 21.0 9.0 32 34 A D S S+ 0 0 67 -2,-0.4 2,-0.3 -25,-0.2 -25,-0.1 0.463 71.7 39.2 -87.8 -1.5 -6.8 19.4 12.3 33 35 A S S > S- 0 0 38 1,-0.1 4,-2.0 -25,-0.0 5,-0.1 -0.960 81.0-113.8-144.6 161.8 -3.7 21.5 12.7 34 36 A A H > S+ 0 0 27 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.904 118.1 48.7 -58.5 -42.2 -2.4 25.1 12.3 35 37 A X H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 109.6 48.3 -68.4 -48.9 -0.0 23.8 9.6 36 38 A N H > S+ 0 0 72 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.873 111.1 55.7 -55.9 -36.4 -2.6 21.9 7.6 37 39 A G H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.929 105.0 48.8 -62.6 -48.8 -4.8 25.0 7.9 38 40 A L H X S+ 0 0 24 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.895 114.1 48.2 -58.1 -40.7 -2.2 27.3 6.4 39 41 A I H X S+ 0 0 80 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.926 114.1 43.7 -68.9 -46.3 -1.7 24.9 3.5 40 42 A K H >X S+ 0 0 58 -4,-2.7 4,-3.3 1,-0.2 3,-0.8 0.887 108.8 58.8 -66.8 -38.2 -5.4 24.4 2.8 41 43 A A H 3< S+ 0 0 15 -4,-2.9 4,-0.3 1,-0.3 -1,-0.2 0.869 110.3 43.8 -56.9 -36.7 -6.1 28.1 3.1 42 44 A R H 3< S+ 0 0 184 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.601 128.6 25.0 -85.6 -13.2 -3.6 28.7 0.3 43 45 A E H << S+ 0 0 130 -3,-0.8 -2,-0.2 -4,-0.7 -3,-0.2 0.725 110.0 60.5-122.7 -36.3 -4.8 25.9 -2.0 44 46 A D S < S- 0 0 44 -4,-3.3 -3,-0.1 -5,-0.2 -2,-0.1 0.587 90.3-134.1 -76.7 -10.1 -8.5 25.0 -1.3 45 47 A H - 0 0 151 -5,-0.4 2,-0.2 -4,-0.3 -42,-0.1 0.985 31.9-169.3 51.5 69.5 -9.7 28.5 -2.2 46 48 A P - 0 0 5 0, 0.0 -42,-0.2 0, 0.0 3,-0.1 -0.577 26.4-145.4 -86.6 153.8 -12.1 28.9 0.8 47 49 A D S S+ 0 0 68 -44,-2.1 2,-0.3 1,-0.3 -43,-0.2 0.717 85.8 11.4 -86.1 -23.8 -14.6 31.7 1.0 48 50 A L E -b 4 0A 0 -45,-1.2 -43,-2.6 25,-0.1 2,-0.5 -0.994 67.1-142.9-154.1 146.7 -14.1 31.9 4.8 49 51 A I E -bc 5 75A 2 25,-2.2 27,-2.8 -2,-0.3 2,-0.5 -0.962 6.4-162.7-117.5 127.4 -11.8 30.6 7.4 50 52 A L E -bc 6 76A 2 -45,-3.0 -43,-3.2 -2,-0.5 2,-0.5 -0.944 13.1-172.1-104.2 127.8 -12.8 29.5 10.9 51 53 A L E -bc 7 77A 9 25,-2.9 27,-3.3 -2,-0.5 2,-0.5 -0.968 8.9-164.2-127.9 117.7 -9.9 29.2 13.3 52 54 A D E - c 0 78A 9 -45,-2.5 -43,-0.3 -2,-0.5 27,-0.1 -0.903 26.7-120.2-105.0 126.2 -10.2 27.8 16.9 53 55 A L + 0 0 32 25,-2.0 4,-0.1 -2,-0.5 27,-0.0 -0.338 52.0 138.9 -70.1 137.5 -7.3 28.6 19.2 54 56 A G + 0 0 54 2,-0.1 -1,-0.1 -2,-0.1 3,-0.1 0.337 50.4 83.8-151.4 -6.3 -5.3 25.8 20.8 55 57 A L S S- 0 0 72 1,-0.1 2,-0.1 2,-0.0 -2,-0.0 -0.476 88.6 -86.7 -96.8 167.2 -1.7 27.0 20.6 56 58 A P > - 0 0 85 0, 0.0 4,-3.1 0, 0.0 3,-0.3 -0.420 52.7-108.0 -60.6 157.3 0.5 29.2 22.9 57 59 A D H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.679 114.4 61.4 -77.8 -19.8 -0.1 32.8 21.7 58 60 A F H > S+ 0 0 179 2,-0.2 4,-1.2 3,-0.2 -1,-0.2 0.941 117.7 34.3 -63.3 -45.6 3.2 33.5 20.1 59 61 A D H > S+ 0 0 69 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.963 118.6 51.9 -69.3 -54.9 2.3 30.6 17.7 60 62 A G H X S+ 0 0 1 -4,-3.1 4,-2.2 1,-0.3 -3,-0.2 0.887 111.3 46.3 -49.9 -49.4 -1.4 31.4 17.7 61 63 A G H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -1,-0.3 0.869 110.5 54.6 -61.8 -37.5 -0.9 35.0 16.8 62 64 A D H X S+ 0 0 60 -4,-1.2 4,-2.9 -5,-0.3 -2,-0.2 0.886 106.9 51.6 -62.9 -39.7 1.6 34.0 14.1 63 65 A V H X S+ 0 0 10 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.953 110.7 46.1 -61.8 -52.8 -1.1 31.7 12.7 64 66 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.917 115.5 48.5 -54.1 -46.2 -3.7 34.5 12.5 65 67 A Q H X S+ 0 0 98 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.884 111.8 48.1 -63.0 -42.0 -1.0 36.7 11.0 66 68 A R H < S+ 0 0 111 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.917 112.5 47.6 -67.7 -43.3 0.1 34.1 8.4 67 69 A L H < S+ 0 0 11 -4,-3.0 -1,-0.2 1,-0.2 6,-0.2 0.861 114.0 49.0 -62.4 -35.5 -3.5 33.4 7.4 68 70 A R H >< S+ 0 0 23 -4,-2.1 3,-2.3 -5,-0.3 -2,-0.2 0.814 82.2 124.7 -72.9 -29.4 -4.0 37.2 7.1 69 71 A K T 3< S- 0 0 96 -4,-1.8 3,-0.1 1,-0.3 -3,-0.1 -0.026 99.1 -37.2 -38.4 106.6 -0.8 37.6 5.1 70 72 A N T 3 S+ 0 0 90 1,-0.2 2,-0.4 76,-0.1 -1,-0.3 0.815 105.4 139.6 37.4 44.4 -1.8 39.4 1.9 71 73 A S < - 0 0 23 -3,-2.3 -1,-0.2 2,-0.1 -4,-0.0 -0.923 49.9-158.6-116.8 142.5 -5.1 37.4 1.8 72 74 A A + 0 0 45 -2,-0.4 -1,-0.1 76,-0.2 -4,-0.1 0.436 61.1 114.3 -92.5 -0.6 -8.5 38.7 0.9 73 75 A L - 0 0 42 -6,-0.2 2,-0.2 1,-0.1 -25,-0.1 -0.502 69.2-121.5 -77.3 133.8 -10.2 35.9 2.8 74 76 A P - 0 0 15 0, 0.0 -25,-2.2 0, 0.0 2,-0.4 -0.481 27.1-156.8 -71.6 144.9 -12.3 36.7 5.9 75 77 A I E -c 49 0A 0 19,-0.2 21,-2.0 -27,-0.2 22,-1.4 -0.983 10.6-168.0-126.9 132.8 -11.2 35.0 9.1 76 78 A I E -cd 50 97A 0 -27,-2.8 -25,-2.9 -2,-0.4 2,-0.5 -0.987 12.7-155.1-119.1 129.2 -13.2 34.3 12.2 77 79 A V E -cd 51 98A 0 20,-2.1 22,-2.4 -2,-0.4 2,-0.5 -0.887 5.7-145.5-111.2 128.7 -11.4 33.2 15.4 78 80 A L E +cd 52 99A 2 -27,-3.3 -25,-2.0 -2,-0.5 2,-0.3 -0.791 28.3 169.7 -91.2 126.9 -12.9 31.2 18.2 79 81 A T E - d 0 100A 3 20,-2.2 22,-3.6 -2,-0.5 -25,-0.0 -0.965 37.8-154.2-136.9 153.0 -11.6 32.1 21.7 80 82 A A S S+ 0 0 73 -2,-0.3 2,-1.0 20,-0.2 -1,-0.1 0.511 73.9 98.9 -99.5 -10.6 -12.5 31.3 25.3 81 83 A R - 0 0 112 1,-0.1 2,-1.5 2,-0.0 6,-0.0 -0.691 57.1-167.7 -81.2 101.8 -11.0 34.5 26.5 82 84 A D + 0 0 105 -2,-1.0 2,-0.3 19,-0.1 -1,-0.1 -0.519 42.6 117.3 -91.3 68.3 -14.0 36.8 26.9 83 85 A T S > S- 0 0 57 -2,-1.5 4,-1.9 1,-0.1 5,-0.2 -0.910 74.4-120.5-133.4 159.7 -12.1 40.1 27.4 84 86 A V H > S+ 0 0 70 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.902 115.6 56.3 -59.9 -41.4 -11.7 43.5 25.7 85 87 A E H > S+ 0 0 134 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 106.4 48.2 -59.2 -44.7 -8.0 42.7 25.4 86 88 A E H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 112.0 49.0 -64.3 -42.1 -8.6 39.5 23.5 87 89 A K H X S+ 0 0 48 -4,-1.9 4,-2.0 1,-0.2 5,-0.3 0.902 113.1 47.2 -65.3 -41.3 -11.0 41.1 21.1 88 90 A V H X S+ 0 0 37 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.868 111.1 52.9 -67.6 -37.0 -8.6 43.9 20.4 89 91 A R H X S+ 0 0 58 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.961 111.8 43.3 -62.3 -51.3 -5.7 41.5 19.9 90 92 A L H X>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 4,-0.5 0.900 116.4 44.7 -66.7 -44.6 -7.5 39.3 17.3 91 93 A L H ><5S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.856 113.6 53.3 -67.1 -33.6 -9.0 42.2 15.3 92 94 A G H 3<5S+ 0 0 24 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.837 106.4 51.8 -68.3 -34.5 -5.6 43.9 15.5 93 95 A L H 3<5S- 0 0 46 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.524 131.5 -89.9 -82.6 -6.7 -3.8 40.8 14.2 94 96 A G T <<5S+ 0 0 8 -3,-0.6 -19,-0.2 -4,-0.5 -3,-0.2 0.434 76.5 142.4 115.3 -0.6 -6.2 40.7 11.2 95 97 A A < - 0 0 0 -5,-2.7 -1,-0.4 -6,-0.2 -19,-0.2 -0.532 43.1-147.9 -64.9 137.8 -9.1 38.5 12.3 96 98 A D S S- 0 0 4 -21,-2.0 2,-0.3 1,-0.3 -20,-0.2 0.776 75.9 -6.8 -77.8 -28.1 -12.2 40.0 10.7 97 99 A D E -d 76 0A 1 -22,-1.4 -20,-2.1 -7,-0.1 2,-0.3 -0.981 63.2-141.0-161.7 158.4 -14.3 38.8 13.7 98 100 A Y E -d 77 0A 15 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.831 6.0-153.6-119.3 161.1 -14.1 36.8 16.9 99 101 A L E -d 78 0A 11 -22,-2.4 -20,-2.2 -2,-0.3 2,-0.4 -0.974 18.0-133.7-136.7 125.6 -16.6 34.4 18.5 100 102 A I E -d 79 0A 29 -2,-0.4 -20,-0.2 -22,-0.2 -22,-0.1 -0.633 32.7-102.3 -84.6 126.6 -16.5 33.8 22.2 101 103 A K S S+ 0 0 56 -22,-3.6 2,-0.1 -2,-0.4 -19,-0.1 -0.734 98.6 46.0 -88.9 140.3 -16.7 30.2 23.5 102 104 A P S S+ 0 0 130 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.536 83.4 150.1 -83.4 157.6 -18.9 28.8 24.6 103 105 A F - 0 0 51 -2,-0.1 -2,-0.1 -4,-0.1 -4,-0.0 -0.933 45.0-104.0-144.7 165.8 -21.5 29.8 22.1 104 106 A H >> - 0 0 104 -2,-0.3 3,-1.5 1,-0.1 4,-1.4 -0.711 34.1-115.0 -92.1 144.2 -24.7 28.6 20.4 105 107 A P H 3> S+ 0 0 49 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.785 117.0 58.7 -43.3 -34.3 -24.7 27.2 16.8 106 108 A D H 3> S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.835 98.4 55.9 -71.2 -34.4 -26.9 30.2 15.9 107 109 A E H <> S+ 0 0 103 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.886 110.5 48.5 -60.3 -36.7 -24.3 32.8 17.1 108 110 A L H X S+ 0 0 2 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.928 109.1 49.2 -69.9 -48.2 -21.9 31.0 14.7 109 111 A L H X S+ 0 0 44 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.836 111.9 53.1 -59.0 -32.6 -24.3 31.0 11.7 110 112 A A H X S+ 0 0 47 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.948 110.6 42.2 -70.8 -50.9 -24.9 34.7 12.4 111 113 A R H X S+ 0 0 50 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.935 115.6 52.0 -60.7 -44.6 -21.2 35.8 12.4 112 114 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.899 108.2 51.4 -57.7 -42.4 -20.6 33.6 9.4 113 115 A K H X S+ 0 0 137 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.888 105.1 55.6 -64.8 -40.7 -23.5 35.2 7.5 114 116 A V H >< S+ 0 0 36 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.935 111.1 45.1 -54.9 -46.7 -22.2 38.7 8.2 115 117 A Q H 3< S+ 0 0 35 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.811 117.9 42.0 -68.9 -31.6 -18.9 37.8 6.6 116 118 A L H 3< S+ 0 0 18 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.341 81.8 133.4-102.1 7.0 -20.3 36.1 3.6 117 119 A R << - 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0 0 103 -3,-1.9 2,-0.6 -6,-0.3 -3,-0.1 -0.683 58.8-153.9 -93.7 138.2 -14.6 63.8 4.8 165 167 A V - 0 0 135 -2,-0.3 2,-0.3 0, 0.0 -2,-0.0 -0.949 16.3-154.2-106.1 118.1 -12.4 63.1 7.7 166 168 A Y - 0 0 29 -2,-0.6 2,-0.1 1,-0.1 -8,-0.0 -0.697 14.0-122.9 -90.7 143.6 -13.7 60.2 9.9 167 169 A S > - 0 0 55 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.400 27.2-109.9 -76.2 161.0 -12.9 60.0 13.6 168 170 A R H > S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.921 122.5 48.6 -56.1 -44.8 -11.2 56.8 14.9 169 171 A Q H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.873 108.3 54.5 -63.9 -38.7 -14.4 55.9 16.7 170 172 A E H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.918 113.1 41.3 -62.0 -44.5 -16.4 56.5 13.5 171 173 A I H X S+ 0 0 11 -4,-2.3 4,-2.9 2,-0.2 5,-0.4 0.904 114.2 52.9 -70.7 -40.9 -14.3 54.2 11.5 172 174 A G H X S+ 0 0 8 -4,-2.6 4,-1.6 -5,-0.2 6,-0.4 0.913 114.1 42.4 -59.1 -44.6 -14.1 51.6 14.3 173 175 A Q H X S+ 0 0 95 -4,-2.6 4,-0.6 -5,-0.2 5,-0.3 0.902 119.1 43.1 -70.5 -43.0 -17.9 51.6 14.7 174 176 A E H < S+ 0 0 110 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.899 119.3 40.4 -70.8 -42.6 -18.6 51.5 10.9 175 177 A I H < S+ 0 0 9 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.866 127.4 29.6 -81.2 -38.3 -16.0 49.0 9.9 176 178 A W H >< S- 0 0 6 -4,-1.6 3,-2.4 -5,-0.4 -1,-0.2 0.360 97.9-136.5-103.7 3.1 -16.3 46.5 12.7 177 179 A Q T 3< S- 0 0 101 -4,-0.6 -3,-0.2 1,-0.3 -4,-0.2 0.846 73.0 -39.9 47.1 49.8 -20.0 47.2 13.3 178 180 A G T 3 S+ 0 0 48 -6,-0.4 -1,-0.3 -5,-0.3 -5,-0.1 0.165 118.2 103.5 93.4 -17.4 -19.8 47.3 17.1 179 181 A R < + 0 0 56 -3,-2.4 -2,-0.1 -6,-0.2 -6,-0.1 0.700 62.0 79.4 -74.9 -20.9 -17.4 44.4 17.5 180 182 A L S S- 0 0 17 -8,-0.3 -2,-0.1 -7,-0.1 -4,-0.1 -0.803 81.3-129.7 -95.6 115.2 -14.3 46.5 18.2 181 183 A P > - 0 0 31 0, 0.0 3,-0.6 0, 0.0 -2,-0.1 -0.345 34.6-108.3 -58.2 141.8 -14.0 47.8 21.8 182 184 A E T 3 S+ 0 0 140 1,-0.2 -94,-0.1 2,-0.0 -13,-0.0 -0.251 91.6 41.7 -75.8 158.8 -13.3 51.5 21.8 183 185 A G T 3 S+ 0 0 88 1,-0.2 -1,-0.2 -2,-0.0 2,-0.1 0.481 85.5 123.1 90.6 5.7 -10.0 53.2 22.7 184 186 A S < - 0 0 25 -3,-0.6 -1,-0.2 1,-0.1 4,-0.2 -0.192 69.5-118.9 -95.0-176.7 -7.7 50.8 20.9 185 187 A N S > S+ 0 0 113 1,-0.1 4,-2.6 2,-0.1 5,-0.2 0.386 80.9 105.1 -97.6 -0.7 -4.9 51.0 18.2 186 188 A V H > S+ 0 0 5 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.859 80.4 45.7 -57.4 -45.1 -6.7 48.7 15.7 187 189 A V H > S+ 0 0 8 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.935 113.5 50.6 -62.1 -45.8 -7.8 51.5 13.3 188 190 A D H > S+ 0 0 55 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.903 109.0 51.0 -59.1 -43.9 -4.4 53.1 13.4 189 191 A V H X S+ 0 0 63 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.866 111.3 48.4 -63.9 -37.4 -2.7 49.8 12.7 190 192 A H H X S+ 0 0 10 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.891 110.6 50.5 -70.7 -40.0 -5.0 49.3 9.7 191 193 A X H X S+ 0 0 47 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.932 107.2 54.7 -60.0 -46.4 -4.4 52.8 8.4 192 194 A A H X S+ 0 0 41 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.876 110.7 45.8 -55.8 -39.3 -0.6 52.3 8.7 193 195 A N H X S+ 0 0 75 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.840 111.0 52.4 -72.5 -34.6 -1.0 49.2 6.5 194 196 A L H X S+ 0 0 8 -4,-2.0 4,-1.6 2,-0.2 5,-0.4 0.938 109.7 49.1 -65.2 -47.1 -3.2 51.0 4.0 195 197 A R H X S+ 0 0 117 -4,-3.1 4,-0.9 1,-0.2 -2,-0.2 0.903 110.6 51.4 -57.8 -42.8 -0.6 53.8 3.7 196 198 A A H < S+ 0 0 82 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.867 113.4 43.2 -64.6 -37.9 2.2 51.2 3.2 197 199 A K H < S+ 0 0 56 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.725 133.9 16.6 -79.8 -20.3 0.3 49.4 0.4 198 200 A L H < S+ 0 0 26 -4,-1.6 -3,-0.2 -5,-0.1 -2,-0.2 0.795 86.5 108.5-117.3 -61.0 -0.9 52.6 -1.3 199 201 A R < - 0 0 186 -4,-0.9 2,-0.4 -5,-0.4 3,-0.1 0.154 67.0-122.3 -32.9 132.5 1.0 55.8 -0.3 200 202 A D - 0 0 40 1,-0.1 -1,-0.1 10,-0.0 3,-0.1 -0.661 22.1-118.4 -79.5 131.4 3.2 57.1 -3.1 201 203 A L - 0 0 133 -2,-0.4 -1,-0.1 1,-0.1 9,-0.0 -0.234 50.7 -82.7 -53.6 159.7 6.9 57.5 -2.2 202 204 A D S S+ 0 0 164 -3,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.175 91.2 62.5 -64.4 164.7 7.9 61.1 -2.6 203 205 A G - 0 0 50 1,-0.1 2,-0.4 -3,-0.1 -2,-0.0 0.574 48.6-162.7 91.8 124.5 8.7 62.5 -6.0 204 206 A Y + 0 0 169 4,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.993 20.2 153.4-136.8 132.5 6.8 62.9 -9.2 205 207 A G - 0 0 45 -2,-0.4 3,-0.3 1,-0.0 0, 0.0 -0.933 58.7 -95.3-145.5 169.7 8.3 63.5 -12.7 206 208 A L S S+ 0 0 162 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 0.840 126.4 41.3 -52.5 -33.6 7.3 62.9 -16.3 207 209 A L S S+ 0 0 154 -3,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.695 82.2 178.7 -94.7 -21.5 9.4 59.7 -16.1 208 210 A R - 0 0 183 -3,-0.3 -4,-0.1 1,-0.1 -5,-0.0 0.693 21.4-145.9 16.3 123.1 8.4 58.3 -12.6 209 211 A T 0 0 142 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.821 360.0 360.0 -86.5 -35.3 10.2 54.9 -11.9 210 212 A V 0 0 138 -9,-0.0 -10,-0.0 0, 0.0 0, 0.0 -0.315 360.0 360.0-147.4 360.0 7.6 53.0 -9.8