==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 21-JUL-13 4LRV . COMPND 2 MOLECULE: DNA SULFUR MODIFICATION PROTEIN DNDE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.HU,C.K.WANG,J.D.LIANG,T.L.ZHANG,M.YANG,Z.P.HU,Z.J.WANG,W.X . 1675 23 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 74615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1103 65.9 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 . 63 3.8 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 . 46 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 141 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 811 48.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 16 0 0 0 0 0 16 1 14 17 0 1 7 3 5 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 . 7 15 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 ANTIPARALLEL BRIDGES PER LADDER . 16 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 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 2 A S 0 0 127 0, 0.0 4,-0.1 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 121.5 22.0 25.5 1.7 2 3 A X + 0 0 76 2,-0.1 88,-0.1 85,-0.1 73,-0.0 0.366 360.0 86.4-130.3 -14.5 20.6 23.8 4.7 3 4 A L S S- 0 0 2 1,-0.1 85,-0.1 87,-0.1 84,-0.1 -0.622 91.4-111.8 -67.5 140.4 23.4 24.8 6.8 4 5 A P - 0 0 16 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.067 26.5 -98.9 -70.2 177.9 22.6 28.3 8.2 5 6 A N S S+ 0 0 104 1,-0.2 58,-3.4 57,-0.1 59,-0.4 0.768 105.7 15.8 -66.9 -28.7 24.5 31.5 7.3 6 7 A R E +A 62 0A 83 56,-0.3 2,-0.3 57,-0.1 56,-0.2 -0.996 68.0 171.3-148.4 152.2 26.6 31.2 10.5 7 8 A X E -A 61 0A 7 54,-2.3 54,-1.5 -2,-0.3 2,-0.3 -0.969 19.5-133.9-154.3 166.5 27.4 28.7 13.1 8 9 A A - 0 0 10 -2,-0.3 2,-0.1 52,-0.2 52,-0.1 -0.884 12.7-140.2-122.9 154.1 29.6 27.9 16.2 9 10 A L - 0 0 0 50,-0.4 48,-2.3 -2,-0.3 2,-0.1 -0.386 39.6 -84.7 -93.5-177.7 31.6 24.8 17.2 10 11 A S > - 0 0 2 46,-0.2 4,-2.5 45,-0.2 45,-0.2 -0.466 31.7-117.1 -83.3 165.1 31.8 23.5 20.8 11 12 A R H > S+ 0 0 11 43,-0.4 4,-2.5 2,-0.2 5,-0.2 0.952 116.9 55.9 -63.0 -49.1 34.2 24.9 23.3 12 13 A Q H > S+ 0 0 44 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.914 112.2 43.0 -47.2 -51.9 36.0 21.5 23.5 13 14 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 109.9 54.0 -63.7 -47.7 36.5 21.6 19.7 14 15 A E H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.917 107.0 53.6 -54.3 -45.7 37.6 25.3 19.5 15 16 A D H X S+ 0 0 17 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.858 109.2 47.3 -59.4 -39.8 40.3 24.6 22.1 16 17 A Q H X S+ 0 0 27 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.2 0.852 109.4 54.0 -71.2 -34.7 41.7 21.7 20.1 17 18 A L H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.920 106.9 53.0 -61.0 -41.5 41.7 23.8 16.9 18 19 A K H X S+ 0 0 40 -4,-2.3 4,-1.3 1275,-0.2 -1,-0.2 0.838 108.5 49.0 -60.6 -38.3 43.7 26.5 18.8 19 20 A K H X S+ 0 0 76 -4,-1.3 4,-1.7 2,-0.2 5,-0.2 0.867 106.7 54.3 -75.5 -38.9 46.4 23.9 19.9 20 21 A L H X S+ 0 0 8 -4,-1.9 4,-2.7 1,-0.2 6,-0.3 0.914 108.3 50.8 -58.5 -43.5 46.8 22.5 16.4 21 22 A K H < S+ 0 0 37 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.867 104.5 59.5 -59.1 -36.6 47.4 26.1 15.3 22 23 A G H < S+ 0 0 14 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.921 116.5 30.3 -55.9 -48.1 50.0 26.3 18.1 23 24 A Y H < S+ 0 0 8 -4,-1.7 434,-2.1 432,-0.1 435,-0.2 0.717 130.1 32.0 -83.5 -32.0 52.1 23.4 16.7 24 25 A T S < S- 0 0 1 -4,-2.7 468,-0.1 -5,-0.2 467,-0.0 -0.645 84.5-115.2-116.3 175.6 51.3 23.9 13.0 25 26 A G S S+ 0 0 45 -2,-0.2 -4,-0.1 430,-0.1 -3,-0.1 0.632 71.9 131.1 -81.9 -7.6 50.6 27.1 11.1 26 27 A I - 0 0 37 -6,-0.3 -2,-0.2 1,-0.1 -3,-0.1 -0.191 54.4-135.5 -64.7 120.1 47.1 25.9 10.4 27 28 A T >> - 0 0 47 1,-0.1 4,-2.2 -6,-0.1 3,-0.8 -0.409 23.9-110.5 -71.7 147.1 44.4 28.5 11.2 28 29 A P H 3> S+ 0 0 18 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.838 115.5 50.7 -50.8 -43.0 41.3 27.2 13.1 29 30 A N H 3> S+ 0 0 39 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.864 112.3 45.9 -66.9 -35.2 38.9 27.6 10.2 30 31 A I H <> S+ 0 0 73 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.843 111.6 52.9 -71.8 -35.3 41.2 25.7 7.8 31 32 A A H X S+ 0 0 1 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.830 103.4 57.6 -69.1 -32.6 41.7 23.0 10.4 32 33 A A H X S+ 0 0 1 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.895 106.5 49.1 -63.5 -40.0 37.9 22.7 10.7 33 34 A R H X S+ 0 0 45 -4,-1.2 4,-2.1 33,-0.2 -2,-0.2 0.963 114.4 44.5 -60.9 -51.8 37.7 21.9 7.0 34 35 A L H X S+ 0 0 82 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.868 113.6 49.9 -60.6 -42.4 40.5 19.3 7.3 35 36 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.963 108.9 52.7 -62.4 -51.2 39.0 17.8 10.4 36 37 A F H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.918 113.3 43.3 -47.4 -52.2 35.5 17.5 8.8 37 38 A F H X S+ 0 0 63 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.789 111.9 50.9 -73.4 -27.3 36.9 15.6 5.8 38 39 A R H < S+ 0 0 49 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.830 115.3 45.8 -77.9 -27.0 39.2 13.3 7.7 39 40 A S H >< S+ 0 0 1 -4,-2.3 3,-1.7 -5,-0.2 5,-0.3 0.938 111.0 51.0 -72.0 -48.3 36.2 12.5 9.9 40 41 A V H 3< S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.736 103.8 57.6 -70.0 -24.2 33.7 12.0 7.0 41 42 A E T 3< S+ 0 0 165 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.1 0.297 107.2 61.0 -86.2 11.4 36.0 9.6 5.1 42 43 A S S < S- 0 0 43 -3,-1.7 -3,-0.1 2,-0.2 -4,-0.0 -0.257 104.1 -82.6-116.0-153.6 36.0 7.3 8.1 43 44 A E S S+ 0 0 183 -2,-0.1 -3,-0.1 2,-0.0 -4,-0.1 0.666 85.0 110.7 -94.6 -21.5 33.5 5.3 10.2 44 45 A F + 0 0 65 -5,-0.3 2,-0.3 53,-0.1 -2,-0.2 -0.277 42.2 175.9 -57.4 139.5 32.3 8.0 12.5 45 46 A R - 0 0 111 2,-0.0 2,-0.1 51,-0.0 -2,-0.0 -0.970 27.9-123.6-146.4 133.0 28.7 9.2 11.8 46 47 A Y - 0 0 19 -2,-0.3 47,-0.1 47,-0.1 5,-0.1 -0.436 26.7-176.9 -66.6 147.3 26.5 11.6 13.6 47 48 A S > - 0 0 30 3,-0.2 3,-1.5 -2,-0.1 -2,-0.0 -0.945 23.8-141.6-148.1 131.8 23.2 10.4 15.0 48 49 A P T 3 S+ 0 0 72 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.775 96.0 63.5 -70.0 -26.3 20.7 12.7 16.7 49 50 A E T 3 S+ 0 0 119 1,-0.3 2,-0.0 3,-0.0 3,-0.0 0.391 104.0 50.5 -80.4 6.3 19.5 10.2 19.3 50 51 A R S < S+ 0 0 192 -3,-1.5 2,-0.3 1,-0.0 -1,-0.3 -0.519 83.4 116.5-135.5 62.5 23.0 10.1 20.8 51 52 A D + 0 0 42 -3,-0.5 2,-0.2 -5,-0.1 41,-0.0 -0.718 13.9 147.6-146.0 91.3 23.8 13.8 21.2 52 53 A S + 0 0 76 -2,-0.3 2,-0.5 2,-0.1 107,-0.1 -0.493 40.7 128.4-112.5 59.1 24.4 15.6 24.5 53 54 A K - 0 0 49 -2,-0.2 2,-0.4 2,-0.0 43,-0.1 -0.918 46.1-152.6-123.8 109.0 26.9 18.1 23.0 54 55 A K - 0 0 140 -2,-0.5 2,-1.7 1,-0.1 -43,-0.4 -0.633 14.4-137.4 -82.5 129.7 26.4 21.8 23.6 55 56 A L + 0 0 46 -2,-0.4 -45,-0.2 -45,-0.2 1323,-0.1 -0.558 45.4 151.6 -86.4 77.4 27.8 24.1 20.9 56 57 A D + 0 0 34 -2,-1.7 -46,-0.2 1321,-0.1 -1,-0.2 -0.118 14.3 147.1-105.7 32.8 29.3 26.6 23.3 57 58 A G - 0 0 0 -48,-2.3 1321,-0.4 1,-0.1 -46,-0.2 -0.257 56.3-118.6 -63.2 157.6 32.2 27.9 21.3 58 59 A T S S+ 0 0 6 -48,-0.2 1318,-3.6 1317,-0.1 2,-0.4 0.850 90.0 54.8 -64.6 -38.9 33.3 31.5 21.6 59 60 A L B -B 1375 0B 4 1316,-0.2 2,-0.9 1231,-0.1 -50,-0.4 -0.858 56.1-158.9-115.7 131.2 32.6 32.6 18.0 60 61 A V - 0 0 25 1314,-2.6 2,-0.3 -2,-0.4 -52,-0.2 -0.866 33.9-176.0 -98.1 97.1 29.7 32.5 15.7 61 62 A L E -A 7 0A 14 -54,-1.5 -54,-2.3 -2,-0.9 5,-0.0 -0.654 30.1 -94.8 -96.1 151.9 31.4 32.7 12.3 62 63 A D E > -A 6 0A 45 -2,-0.3 4,-2.2 -56,-0.2 3,-0.4 -0.293 32.3-118.7 -55.7 142.7 29.9 33.0 8.9 63 64 A K H > S+ 0 0 20 -58,-3.4 4,-3.2 1,-0.2 5,-0.4 0.846 116.3 54.4 -48.7 -38.1 29.6 29.7 6.9 64 65 A I H > S+ 0 0 120 -59,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.872 105.7 52.1 -71.2 -36.7 31.9 31.1 4.3 65 66 A T H 4 S+ 0 0 27 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.934 116.5 39.9 -60.0 -49.3 34.6 31.9 6.9 66 67 A W H < S+ 0 0 4 -4,-2.2 -33,-0.2 1,-0.1 -2,-0.2 0.944 130.9 24.6 -65.1 -49.3 34.4 28.3 8.2 67 68 A L H >< S+ 0 0 2 -4,-3.2 3,-1.7 -5,-0.2 -3,-0.2 0.836 77.4 171.8 -94.6 -36.2 34.1 26.5 4.9 68 69 A G G >< S- 0 0 18 -4,-2.0 3,-1.9 -5,-0.4 4,-0.2 -0.320 76.1 -9.6 60.9-140.4 35.6 28.7 2.2 69 70 A E G 3 S+ 0 0 185 1,-0.3 4,-0.4 2,-0.1 3,-0.3 0.617 132.4 68.3 -61.6 -15.5 36.0 27.1 -1.2 70 71 A T G <> S+ 0 0 36 -3,-1.7 4,-3.3 1,-0.2 -1,-0.3 0.429 73.1 101.4 -85.9 4.0 35.0 23.8 0.4 71 72 A L H <> S+ 0 0 31 -3,-1.9 4,-3.1 2,-0.2 5,-0.2 0.919 80.9 40.5 -51.5 -63.8 31.5 25.2 1.0 72 73 A Q H > S+ 0 0 137 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.924 118.1 49.3 -54.7 -51.2 29.5 23.5 -1.8 73 74 A A H > S+ 0 0 51 -4,-0.4 4,-2.6 2,-0.2 3,-0.3 0.944 112.4 47.9 -53.6 -53.8 31.4 20.2 -1.3 74 75 A T H X S+ 0 0 1 -4,-3.3 4,-2.8 1,-0.2 5,-0.2 0.952 112.3 48.2 -52.5 -56.0 30.8 20.3 2.5 75 76 A E H X S+ 0 0 33 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.789 112.1 50.9 -58.6 -28.2 27.1 21.0 2.0 76 77 A L H X S+ 0 0 91 -4,-2.0 4,-2.2 -3,-0.3 -1,-0.2 0.891 110.1 48.2 -78.7 -39.9 26.8 18.2 -0.6 77 78 A V H X S+ 0 0 34 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.953 112.9 48.7 -60.4 -49.0 28.5 15.7 1.7 78 79 A L H X S+ 0 0 2 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.862 110.2 51.6 -59.8 -37.5 26.2 16.7 4.6 79 80 A K H < S+ 0 0 136 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.935 114.2 42.8 -67.6 -43.0 23.1 16.4 2.4 80 81 A X H < S+ 0 0 146 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.852 119.4 41.9 -72.0 -37.4 24.1 12.9 1.3 81 82 A L H < S+ 0 0 49 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.793 128.4 30.6 -77.8 -27.2 25.1 11.7 4.7 82 83 A Y >< + 0 0 17 -4,-2.0 3,-1.5 -5,-0.3 -1,-0.2 -0.365 66.5 152.6-132.2 54.5 22.2 13.3 6.5 83 84 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.790 77.1 45.6 -59.6 -32.7 19.2 13.5 4.1 84 85 A Q T 3 S+ 0 0 176 2,-0.0 2,-0.2 -5,-0.0 -5,-0.1 0.496 89.2 106.7 -91.4 -5.2 16.5 13.5 6.9 85 86 A L < - 0 0 27 -3,-1.5 2,-0.2 -6,-0.1 -3,-0.1 -0.481 60.3-137.2 -82.2 144.7 18.1 16.1 9.2 86 87 A E >> - 0 0 136 -2,-0.2 4,-2.4 1,-0.0 3,-0.7 -0.485 37.8 -91.1 -88.6 167.8 16.8 19.6 9.7 87 88 A Q H 3> S+ 0 0 88 1,-0.3 4,-2.2 2,-0.2 3,-0.2 0.899 126.0 53.9 -45.3 -57.5 19.0 22.7 9.9 88 89 A K H 3> S+ 0 0 159 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.874 114.7 42.0 -43.7 -45.5 19.4 22.5 13.7 89 90 A A H <> S+ 0 0 18 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.815 107.9 59.7 -77.6 -31.5 20.6 18.9 13.4 90 91 A L H X S+ 0 0 9 -4,-2.4 4,-2.8 -3,-0.2 -2,-0.2 0.850 103.7 52.1 -63.4 -37.7 22.8 19.5 10.4 91 92 A I H X S+ 0 0 30 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.946 110.1 48.0 -61.8 -49.1 24.8 22.0 12.4 92 93 A K H X S+ 0 0 70 -4,-1.3 4,-3.2 -5,-0.2 -2,-0.2 0.909 112.6 50.3 -56.6 -42.9 25.3 19.4 15.2 93 94 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.929 111.5 46.4 -63.4 -47.9 26.3 16.9 12.5 94 95 A W H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.927 116.7 46.2 -57.7 -47.5 28.9 19.3 10.9 95 96 A A H X S+ 0 0 4 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.912 109.1 53.2 -62.6 -45.6 30.2 20.1 14.4 96 97 A A H X S+ 0 0 11 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.908 110.2 49.6 -57.0 -42.8 30.3 16.5 15.5 97 98 A H H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.849 109.0 50.7 -64.3 -37.5 32.4 15.7 12.4 98 99 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.950 113.2 46.9 -65.7 -44.0 34.8 18.6 13.1 99 100 A E H X S+ 0 0 48 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.922 114.0 46.6 -60.0 -49.0 35.3 17.3 16.7 100 101 A D H X S+ 0 0 48 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.968 112.7 49.9 -60.5 -54.4 35.8 13.7 15.6 101 102 A G H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.865 116.7 41.6 -47.1 -45.8 38.2 14.7 12.8 102 103 A I H >< S+ 0 0 4 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.797 106.0 61.3 -79.3 -30.3 40.3 16.9 15.3 103 104 A A H >< S+ 0 0 30 -4,-2.7 3,-0.6 1,-0.3 -1,-0.2 0.812 86.6 79.4 -60.3 -28.8 40.1 14.4 18.2 104 105 A A T 3< S+ 0 0 48 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.244 79.2 73.2 -66.5 16.8 42.0 12.0 15.9 105 106 A L T < S+ 0 0 11 -3,-0.9 381,-0.6 382,-0.0 2,-0.3 -0.201 78.7 89.6-127.6 39.8 45.2 13.9 16.7 106 107 A R B < C 485 0C 121 -3,-0.6 379,-0.2 379,-0.2 378,-0.1 -0.918 360.0 360.0-129.8 159.6 45.9 12.8 20.3 107 108 A N 0 0 172 377,-0.8 376,-0.1 -2,-0.3 377,-0.1 0.622 360.0 360.0 112.7 360.0 47.8 9.9 22.0 108 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 109 3 B X 0 0 138 0, 0.0 88,-0.1 0, 0.0 89,-0.1 0.000 360.0 360.0 360.0 153.6 34.6 9.3 49.9 110 4 B L - 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0 0 114 77,-0.0 88,-0.2 0, 0.0 0, 0.0 -0.724 360.0 -80.4-124.8-179.4 51.8 67.7 51.4 641 4 G L - 0 0 3 -2,-0.3 4,-0.1 1,-0.1 85,-0.1 -0.701 50.3-111.1 -85.6 140.0 50.3 65.3 48.9 642 5 G P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.163 33.5-103.2 -62.3 166.0 47.0 66.4 47.4 643 6 G N S S+ 0 0 117 57,-0.1 58,-3.2 1,-0.1 59,-0.4 0.608 104.9 26.7 -74.7 -5.6 44.0 64.4 48.6 644 7 G R E +L 700 0L 77 56,-0.3 2,-0.3 57,-0.1 56,-0.2 -0.994 67.8 166.0-151.0 155.1 44.0 62.6 45.2 645 8 G X E -L 699 0L 7 54,-1.8 54,-0.9 -2,-0.3 2,-0.3 -0.986 19.6-140.2-160.7 165.4 46.5 61.7 42.4 646 9 G A - 0 0 14 -2,-0.3 2,-0.2 52,-0.2 52,-0.1 -0.934 15.8-133.2-132.9 154.8 47.3 59.7 39.3 647 10 G L - 0 0 0 50,-0.4 48,-1.8 -2,-0.3 87,-0.1 -0.464 40.6 -80.2 -95.7 173.5 50.3 57.8 38.0 648 11 G S > - 0 0 14 45,-0.2 4,-2.0 46,-0.2 -1,-0.2 -0.351 37.1-120.0 -66.7 157.7 51.8 57.9 34.5 649 12 G R H > S+ 0 0 23 43,-0.4 4,-2.4 1,-0.2 5,-0.2 0.915 116.5 57.1 -65.6 -43.7 50.1 55.8 31.9 650 13 G Q H > S+ 0 0 97 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.876 107.1 48.6 -49.4 -44.4 53.4 53.9 31.5 651 14 G T H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.931 108.3 53.2 -66.2 -46.2 53.3 53.1 35.2 652 15 G E H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.909 103.8 56.1 -55.7 -47.3 49.7 51.9 35.2 653 16 G D H X S+ 0 0 48 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.910 110.8 45.5 -50.6 -45.4 50.4 49.4 32.3 654 17 G Q H X S+ 0 0 36 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.788 108.7 55.8 -71.5 -29.5 53.1 47.9 34.5 655 18 G L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.891 109.0 47.0 -69.6 -39.3 50.9 47.8 37.6 656 19 G K H X S+ 0 0 77 -4,-2.4 4,-2.3 -312,-0.3 -2,-0.2 0.875 109.6 54.3 -65.9 -40.1 48.2 45.8 35.6 657 20 G K H X S+ 0 0 70 -4,-1.8 4,-1.1 -5,-0.3 -2,-0.2 0.951 111.2 45.3 -57.1 -47.9 50.9 43.4 34.3 658 21 G L H X S+ 0 0 9 -4,-2.0 4,-2.5 1,-0.2 5,-0.5 0.891 110.4 52.3 -64.8 -43.1 52.1 42.7 37.9 659 22 G K H X S+ 0 0 30 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.895 107.1 54.6 -58.4 -40.4 48.5 42.3 39.2 660 23 G G H < S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.791 116.2 39.3 -60.5 -30.1 48.1 39.8 36.4 661 24 G Y H < S+ 0 0 10 -4,-1.1 430,-1.8 -3,-0.5 -2,-0.2 0.808 133.2 14.3 -86.2 -37.9 51.1 37.9 37.7 662 25 G T H < S- 0 0 9 -4,-2.5 -3,-0.2 428,-0.2 -2,-0.2 0.523 89.8-119.0-123.5 -16.4 50.9 38.0 41.5 663 26 G G < + 0 0 34 -4,-1.9 2,-0.5 -5,-0.5 -4,-0.2 0.414 64.6 144.3 79.5 0.9 47.3 39.1 42.3 664 27 G I - 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0 0 17 -6,-0.2 -2,-0.2 1,-0.1 -3,-0.1 -0.232 58.5-126.2 -78.4 138.6 44.8 31.3 38.9 1089 28 K T > - 0 0 6 1,-0.1 4,-2.7 -427,-0.1 5,-0.3 -0.359 21.4-109.0 -84.7 150.3 47.8 33.5 38.9 1090 29 K P H > S+ 0 0 4 0, 0.0 4,-1.9 0, 0.0 -428,-0.2 0.859 116.1 47.8 -39.0 -54.2 51.5 32.7 38.2 1091 30 K N H > S+ 0 0 5 -430,-1.8 4,-1.2 2,-0.2 -429,-0.1 0.915 115.9 44.2 -62.8 -40.8 52.7 33.0 41.9 1092 31 K I H >> S+ 0 0 59 -3,-0.3 4,-2.5 2,-0.2 3,-1.0 0.973 113.5 49.2 -63.9 -55.9 49.8 30.8 43.3 1093 32 K A H 3X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.3 -1,-0.2 0.809 108.4 57.0 -52.8 -31.7 50.1 28.2 40.5 1094 33 K A H 3X S+ 0 0 2 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.3 0.805 105.8 48.2 -73.4 -29.9 53.9 28.1 41.3 1095 34 K R H < S+ 0 0 0 -4,-2.6 3,-1.8 -5,-0.2 5,-0.5 0.972 110.2 50.2 -62.3 -56.3 56.4 18.3 42.1 1102 41 K V H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.726 103.5 58.0 -59.6 -30.7 58.1 17.6 45.4 1103 42 K E H 3< S+ 0 0 34 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.667 102.5 69.8 -76.9 -15.3 55.7 14.9 46.6 1104 43 K S S << S- 0 0 54 -3,-1.8 -3,-0.0 -4,-0.6 57,-0.0 -0.175 104.3 -96.8 -84.5-171.9 56.6 13.0 43.4 1105 44 K E S S+ 0 0 186 -2,-0.1 2,-0.1 2,-0.0 -3,-0.1 0.509 80.4 123.8 -88.3 -4.7 60.0 11.3 42.7 1106 45 K F + 0 0 63 -5,-0.5 2,-0.3 51,-0.1 -2,-0.1 -0.354 36.2 178.7 -63.3 131.6 61.3 14.3 40.6 1107 46 K R - 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