==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 05-OCT-07 2RGV . COMPND 2 MOLECULE: PEROXIDE OPERON REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR D.A.K.TRAORE . 284 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 21 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 2 2 0 0 4 2 2 0 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 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 PARALLEL BRIDGES PER LADDER . 1 0 2 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 4 A H > 0 0 147 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 144.2 24.1 17.6 24.9 2 5 A E H > + 0 0 86 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.877 360.0 38.4 -71.1 -53.5 20.8 18.4 26.6 3 6 A L H >> S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 3,-0.6 0.976 118.3 52.5 -57.8 -58.9 20.9 22.0 27.7 4 7 A K H 3> S+ 0 0 146 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.904 111.9 46.2 -35.4 -62.8 22.9 22.9 24.5 5 8 A E H 3X S+ 0 0 111 -4,-3.4 4,-2.2 2,-0.2 -1,-0.2 0.774 109.5 52.8 -56.9 -32.9 20.1 21.3 22.4 6 9 A A H S+ 0 0 0 -4,-2.2 5,-3.3 2,-0.2 4,-0.2 0.922 108.3 53.9 -58.4 -49.6 14.5 28.1 21.7 11 14 A K H ><5S+ 0 0 156 -4,-2.9 3,-0.5 3,-0.2 -1,-0.2 0.910 117.2 38.4 -54.9 -39.2 16.8 30.2 19.5 12 15 A E H 3<5S+ 0 0 152 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.939 108.2 58.5 -82.3 -47.6 15.1 28.6 16.5 13 16 A T T 3<5S- 0 0 63 -4,-3.6 -1,-0.3 -5,-0.2 -2,-0.2 0.479 125.8-108.5 -61.3 4.5 11.6 28.6 17.9 14 17 A G T < 5 + 0 0 66 -3,-0.5 2,-0.3 -4,-0.2 -3,-0.2 0.595 69.0 147.6 89.7 15.4 12.4 32.3 18.1 15 18 A V < - 0 0 19 -5,-3.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.696 48.6-117.3 -99.1 133.9 12.8 32.7 21.9 16 19 A R - 0 0 198 -2,-0.3 2,-1.3 1,-0.1 5,-0.1 -0.325 22.5-132.3 -68.6 144.5 15.1 35.1 23.8 17 20 A I + 0 0 64 4,-0.1 -1,-0.1 3,-0.0 -10,-0.0 -0.661 35.6 176.3-102.5 83.6 17.7 33.3 25.9 18 21 A T > - 0 0 32 -2,-1.3 4,-1.9 1,-0.1 5,-0.2 -0.406 43.3-111.2 -83.6 157.6 17.3 35.2 29.1 19 22 A P H > S+ 0 0 95 0, 0.0 4,-3.2 0, 0.0 5,-0.1 0.941 118.9 51.6 -49.8 -44.6 19.3 34.2 32.2 20 23 A Q H > S+ 0 0 28 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.951 108.4 50.9 -67.1 -43.9 16.2 33.0 33.9 21 24 A R H > S+ 0 0 51 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.872 112.7 45.9 -51.0 -46.6 15.1 30.8 30.9 22 25 A H H X S+ 0 0 69 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.933 111.8 53.0 -69.2 -43.0 18.6 29.2 30.8 23 26 A A H X S+ 0 0 2 -4,-3.2 4,-1.7 -5,-0.2 -2,-0.2 0.950 111.8 44.0 -56.2 -52.6 18.4 28.7 34.6 24 27 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.858 114.2 49.6 -59.7 -41.4 15.0 26.9 34.4 25 28 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.3 -1,-0.2 0.921 111.4 49.5 -66.1 -36.9 16.0 24.8 31.5 26 29 A E H X S+ 0 0 73 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.835 111.2 49.1 -68.8 -30.9 19.2 23.8 33.2 27 30 A Y H X S+ 0 0 64 -4,-1.7 4,-1.4 -5,-0.2 3,-0.4 0.931 110.5 51.4 -71.9 -49.6 17.3 23.0 36.3 28 31 A L H >< S+ 0 0 6 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.956 110.4 47.3 -49.7 -60.5 14.9 20.9 34.2 29 32 A V H 3< S+ 0 0 23 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.757 115.7 46.0 -50.2 -32.7 17.7 18.9 32.5 30 33 A N H 3< S+ 0 0 116 -4,-1.1 2,-0.2 -3,-0.4 -1,-0.2 0.602 94.6 91.2 -92.7 -11.9 19.5 18.2 35.9 31 34 A S << - 0 0 33 -4,-1.4 -4,-0.0 -3,-0.9 0, 0.0 -0.580 54.2-163.8 -83.1 142.8 16.3 17.2 37.9 32 35 A M S S+ 0 0 120 -2,-0.2 -1,-0.1 251,-0.1 2,-0.1 0.493 74.1 67.1-103.0 -7.4 15.2 13.6 38.1 33 36 A A S S- 0 0 43 250,-0.1 -2,-0.1 -5,-0.1 252,-0.1 -0.142 93.0-111.2 -90.6-167.7 11.8 14.4 39.3 34 37 A X - 0 0 84 48,-0.1 48,-0.2 -2,-0.1 2,-0.1 -0.964 51.3-150.4-120.9 105.0 9.1 16.1 37.3 35 38 A P - 0 0 3 0, 0.0 46,-1.8 0, 0.0 2,-0.2 -0.294 9.4-127.2 -89.7 167.8 9.1 19.3 39.3 36 39 A T > - 0 0 19 44,-0.2 4,-1.7 1,-0.1 44,-0.1 -0.486 35.1-104.6-100.8 170.5 6.4 21.9 40.1 37 40 A A H > S+ 0 0 0 42,-0.5 4,-3.1 1,-0.2 5,-0.2 0.908 123.6 55.1 -66.0 -35.3 6.9 25.6 39.5 38 41 A D H > S+ 0 0 71 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.907 105.7 52.8 -61.1 -34.3 7.3 26.1 43.3 39 42 A D H > S+ 0 0 52 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.919 114.6 41.1 -64.6 -43.7 10.1 23.5 43.2 40 43 A I H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.868 114.9 50.5 -75.7 -41.7 11.8 25.4 40.5 41 44 A Y H X S+ 0 0 71 -4,-3.1 4,-2.3 2,-0.2 5,-0.3 0.924 109.0 52.0 -55.3 -50.5 11.2 28.8 42.1 42 45 A K H < S+ 0 0 140 -4,-3.1 4,-0.3 -5,-0.2 -2,-0.2 0.883 112.6 46.5 -58.4 -35.3 12.5 27.7 45.5 43 46 A A H < S+ 0 0 55 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.849 124.8 27.8 -74.3 -34.6 15.7 26.4 43.9 44 47 A L H >X S+ 0 0 10 -4,-1.4 3,-1.9 -3,-0.2 4,-0.9 0.538 94.3 85.1-107.3 -13.4 16.4 29.4 41.7 45 48 A E G >< S+ 0 0 80 -4,-2.3 3,-0.5 1,-0.3 6,-0.2 0.823 80.5 69.1 -72.3 -23.2 14.9 32.4 43.4 46 49 A G G 34 S+ 0 0 72 -4,-0.3 -1,-0.3 -5,-0.3 -2,-0.1 0.672 107.7 37.7 -67.8 -15.1 18.0 32.9 45.5 47 50 A K G <4 S+ 0 0 118 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.542 116.3 54.5-109.2 -10.4 19.8 33.9 42.3 48 51 A F X< - 0 0 39 -4,-0.9 3,-0.7 -3,-0.5 -1,-0.2 -0.970 56.7-176.5-130.6 109.9 17.0 35.9 40.6 49 52 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.836 86.6 52.3 -73.3 -37.3 15.3 38.7 42.6 50 53 A N T 3 S+ 0 0 148 2,-0.0 2,-0.5 5,-0.0 5,-0.1 0.191 85.7 118.3 -84.6 20.5 12.8 39.6 40.0 51 54 A M < + 0 0 11 -3,-0.7 2,-0.3 -6,-0.2 -3,-0.1 -0.723 38.3 175.8 -92.1 127.6 11.7 35.9 39.8 52 55 A S > - 0 0 50 -2,-0.5 4,-2.0 1,-0.1 3,-0.5 -0.884 48.4-108.5-120.6 161.2 8.2 35.1 40.8 53 56 A V H > S+ 0 0 50 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.874 121.9 58.6 -47.8 -34.2 6.2 31.9 40.7 54 57 A A H > S+ 0 0 48 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.899 102.1 48.0 -62.2 -43.9 4.4 33.6 37.8 55 58 A T H > S+ 0 0 38 -3,-0.5 4,-3.0 2,-0.2 5,-0.2 0.933 110.2 52.9 -71.6 -41.6 7.5 34.1 35.7 56 59 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 3,-0.5 0.991 114.4 44.4 -51.4 -60.3 8.5 30.4 36.3 57 60 A Y H X S+ 0 0 72 -4,-2.8 4,-1.9 1,-0.3 -2,-0.2 0.847 111.9 50.6 -52.3 -49.5 5.0 29.5 35.1 58 61 A N H X S+ 0 0 99 -4,-3.1 4,-1.7 2,-0.2 -1,-0.3 0.893 112.1 48.4 -60.2 -40.0 5.1 31.9 32.1 59 62 A N H X S+ 0 0 13 -4,-3.0 4,-2.6 -3,-0.5 5,-0.2 0.927 106.7 55.0 -68.7 -42.6 8.5 30.5 31.0 60 63 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.861 105.3 54.6 -51.3 -44.0 7.3 26.9 31.3 61 64 A R H X S+ 0 0 144 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.935 107.6 50.8 -54.0 -51.9 4.4 27.8 28.9 62 65 A V H X S+ 0 0 29 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.922 112.0 45.4 -45.7 -58.1 7.0 29.1 26.5 63 66 A F H <>S+ 0 0 0 -4,-2.6 5,-3.0 2,-0.2 6,-1.1 0.796 110.6 54.5 -59.0 -33.5 9.0 25.9 26.6 64 67 A R H ><5S+ 0 0 74 -4,-1.9 3,-0.9 -5,-0.2 -2,-0.2 0.908 109.0 47.1 -73.0 -38.9 5.9 23.9 26.3 65 68 A E H 3<5S+ 0 0 118 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.834 110.0 54.5 -67.9 -31.2 5.0 25.7 23.1 66 69 A S T 3<5S- 0 0 18 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.559 119.1-115.4 -76.0 -8.3 8.6 25.2 21.9 67 70 A G T < 5S+ 0 0 51 -3,-0.9 -3,-0.2 -4,-0.3 -2,-0.1 0.685 86.9 111.4 87.6 23.7 8.0 21.4 22.5 68 71 A L S - 0 0 189 3,-0.5 3,-1.6 1,-0.3 -2,-0.0 -0.847 49.7 -53.0-165.7 131.6 -3.5 15.6 38.2 75 78 A G T 3 S- 0 0 64 -2,-0.3 2,-0.5 1,-0.2 -1,-0.3 -0.028 110.9 -34.2 43.6-140.4 -6.5 16.0 40.6 76 79 A D T 3 S+ 0 0 181 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.657 107.6 122.7-110.2 69.7 -6.4 19.4 42.2 77 80 A A S < S- 0 0 58 -3,-1.6 -3,-0.5 -2,-0.5 2,-0.1 -0.888 71.0-100.5-117.0 152.0 -2.7 19.4 42.3 78 81 A S - 0 0 79 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.455 56.2 -84.3 -65.8 145.2 -0.5 22.1 40.8 79 82 A S - 0 0 20 -2,-0.1 -42,-0.5 -6,-0.1 2,-0.3 -0.144 37.9-147.0 -50.4 147.3 1.0 21.1 37.4 80 83 A R E -A 72 0A 120 -8,-2.3 -8,-2.6 -44,-0.1 2,-0.4 -0.798 15.4-131.5-108.7 155.8 4.2 19.1 37.3 81 84 A F E -A 71 0A 5 -46,-1.8 2,-0.6 -2,-0.3 -10,-0.2 -0.961 12.7-163.2-124.1 124.4 6.8 19.6 34.3 82 85 A D E -A 70 0A 47 -12,-2.4 -12,-2.4 -2,-0.4 2,-0.7 -0.922 15.6-143.5-100.6 116.0 8.4 16.9 32.2 83 86 A F E -A 69 0A 28 -2,-0.6 -14,-0.2 -14,-0.2 -15,-0.1 -0.701 33.5-123.5 -78.4 117.3 11.5 18.0 30.3 84 87 A V - 0 0 51 -16,-2.2 2,-0.5 -2,-0.7 40,-0.1 -0.265 23.0-164.5 -69.2 137.1 11.1 16.0 27.0 85 88 A T - 0 0 48 38,-0.3 40,-0.2 -2,-0.1 -1,-0.0 -0.988 32.4-119.4-110.8 128.7 13.7 13.6 25.4 86 89 A S - 0 0 70 -2,-0.5 2,-0.3 38,-0.1 38,-0.0 -0.277 17.4-139.9 -66.5 145.6 12.8 12.9 21.7 87 90 A D - 0 0 53 37,-0.1 2,-0.3 39,-0.0 39,-0.2 -0.644 19.5-150.1 -94.7 170.1 12.1 9.4 20.6 88 91 A X E -b 126 0B 108 37,-1.2 39,-2.0 -2,-0.3 2,-0.4 -0.967 12.9-164.4-148.7 146.2 13.5 8.3 17.2 89 92 A Y E +b 127 0B 12 13,-0.5 13,-1.7 -2,-0.3 2,-0.3 -0.991 15.6 176.6-139.9 129.6 12.4 5.9 14.5 90 93 A X E -bC 128 101B 40 37,-1.9 39,-2.5 -2,-0.4 2,-0.6 -0.993 24.0-148.1-136.5 134.8 14.8 4.7 11.8 91 94 A A E -bC 129 100B 0 9,-3.0 9,-2.2 -2,-0.3 2,-0.4 -0.954 20.7-160.3 -99.4 123.6 14.5 2.3 9.0 92 95 A I E -bC 130 99B 25 37,-2.9 39,-1.8 -2,-0.6 2,-0.5 -0.893 13.0-134.7-103.9 129.3 17.9 0.6 8.4 93 96 A C E > -b 131 0B 1 5,-3.0 4,-1.7 -2,-0.4 39,-0.2 -0.738 8.6-158.7 -87.6 126.6 18.6 -1.2 4.9 94 97 A E T 4 S+ 0 0 100 37,-2.6 -1,-0.1 -2,-0.5 38,-0.1 0.605 89.3 45.8 -77.3 -12.5 20.3 -4.6 5.5 95 98 A N T 4 S+ 0 0 83 36,-0.2 -1,-0.2 3,-0.1 37,-0.1 0.817 129.1 15.5-100.1 -48.2 21.7 -4.6 2.0 96 99 A C T 4 S- 0 0 66 2,-0.1 -2,-0.2 0, 0.0 36,-0.1 0.617 94.2-121.1-111.2 -5.0 23.2 -1.2 1.5 97 100 A G < + 0 0 48 -4,-1.7 -3,-0.1 1,-0.2 0, 0.0 0.351 55.0 155.9 88.8 -8.5 23.3 0.1 5.1 98 101 A K - 0 0 70 -6,-0.1 -5,-3.0 1,-0.0 2,-0.5 -0.169 27.5-156.3 -54.3 144.5 21.2 3.2 4.4 99 102 A I E -C 92 0B 97 -7,-0.2 2,-0.5 -9,-0.0 -7,-0.2 -0.991 9.3-174.0-128.3 125.5 19.3 4.7 7.3 100 103 A V E -C 91 0B 48 -9,-2.2 -9,-3.0 -2,-0.5 2,-0.2 -0.985 15.6-140.4-119.4 121.3 16.2 6.8 6.9 101 104 A D E +C 90 0B 115 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.525 24.1 174.7 -64.9 138.9 14.4 8.7 9.7 102 105 A F - 0 0 27 -13,-1.7 -13,-0.5 -2,-0.2 2,-0.3 -0.910 27.0-115.2-136.2 173.0 10.6 8.8 9.9 103 106 A H + 0 0 148 -2,-0.3 157,-0.1 -15,-0.1 -15,-0.1 -0.822 25.8 179.9-103.4 140.4 8.0 10.1 12.4 104 107 A Y - 0 0 23 -2,-0.3 2,-1.9 152,-0.0 3,-0.1 -0.992 34.7-119.6-137.7 140.0 5.6 8.0 14.4 105 108 A P - 0 0 98 0, 0.0 3,-0.3 0, 0.0 -2,-0.0 -0.156 67.5 -72.9 -78.6 52.1 3.0 9.5 16.8 106 109 A G - 0 0 25 -2,-1.9 3,-0.1 1,-0.2 -3,-0.0 -0.072 27.0-119.4 97.2 158.2 4.2 7.7 19.9 107 110 A L > + 0 0 11 -3,-0.1 4,-2.0 1,-0.0 5,-0.2 -0.447 47.7 152.3-134.1 54.8 4.2 4.3 21.3 108 111 A D H > S+ 0 0 107 -3,-0.3 4,-2.4 2,-0.2 5,-0.3 0.854 71.1 55.6 -40.5 -49.9 2.2 5.0 24.5 109 112 A E H > S+ 0 0 130 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.967 110.2 44.0 -62.0 -51.7 0.8 1.5 24.7 110 113 A V H > S+ 0 0 4 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.842 113.0 51.4 -58.0 -41.0 4.3 -0.2 24.6 111 114 A E H X S+ 0 0 42 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.909 110.7 47.2 -63.1 -47.9 5.8 2.3 27.1 112 115 A Q H X S+ 0 0 134 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.931 116.5 45.1 -65.4 -41.9 3.1 1.8 29.7 113 116 A L H X S+ 0 0 63 -4,-2.3 4,-3.2 -5,-0.3 3,-0.4 0.944 111.2 51.4 -62.3 -51.7 3.3 -2.0 29.2 114 117 A A H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 5,-0.5 0.895 109.8 52.1 -46.1 -46.2 7.1 -2.1 29.4 115 118 A A H X S+ 0 0 32 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.802 111.4 46.8 -65.8 -34.9 6.9 -0.0 32.6 116 119 A H H < S+ 0 0 149 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.955 118.7 38.9 -68.8 -60.0 4.5 -2.5 34.1 117 120 A V H < S+ 0 0 75 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.842 127.4 31.2 -69.3 -34.2 6.5 -5.6 33.2 118 121 A T H < S- 0 0 19 -4,-3.2 159,-0.4 -5,-0.3 -1,-0.2 0.681 96.6-128.3 -94.5 -21.2 10.0 -4.4 33.8 119 122 A G < + 0 0 18 -4,-0.8 -4,-0.2 -5,-0.5 -3,-0.1 0.474 59.9 142.5 89.2 0.6 9.3 -1.9 36.7 120 123 A F - 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D 0 264B 24 132,-1.5 132,-2.8 -2,-0.3 -39,-0.1 -0.998 45.6-126.7-139.4 130.7 15.4 -3.5 2.5 133 136 A C > - 0 0 0 -2,-0.3 4,-1.7 130,-0.2 5,-0.2 -0.199 28.3-101.6 -83.1 170.9 15.1 -0.0 1.0 134 137 A Q H > S+ 0 0 133 127,-0.4 4,-2.0 1,-0.2 3,-0.3 0.918 120.4 52.8 -53.4 -48.8 13.3 0.8 -2.2 135 138 A E H > S+ 0 0 130 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.862 114.3 38.7 -51.9 -49.5 16.6 1.0 -4.1 136 139 A C H > S+ 0 0 14 -3,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.663 112.8 57.0 -77.3 -24.0 17.9 -2.4 -3.1 137 140 A S H X S+ 0 0 14 -4,-1.7 4,-0.9 -3,-0.3 3,-0.2 0.825 106.5 48.6 -83.5 -29.6 14.5 -4.0 -3.4 138 141 A K H >< S+ 0 0 186 -4,-2.0 3,-0.8 -5,-0.2 -2,-0.2 0.943 105.7 59.5 -70.8 -48.3 14.1 -3.0 -7.0 139 142 A K H 3< S+ 0 0 184 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.725 115.1 35.4 -46.9 -27.2 17.6 -4.3 -7.7 140 143 A E H 3< 0 0 54 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.562 360.0 360.0-110.4 -7.2 16.5 -7.7 -6.6 141 144 A N << 0 0 163 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.1 -0.101 360.0 360.0 84.9 360.0 13.0 -8.0 -7.7 142 !* 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 0.0 143 3 B A > 0 0 82 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 135.4 25.7 -18.2 8.8 144 4 B H H > + 0 0 123 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.767 360.0 64.5 -64.1 -26.4 24.9 -17.7 12.4 145 5 B E H > S+ 0 0 71 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.954 102.4 42.5 -62.4 -56.7 21.4 -17.7 11.0 146 6 B L H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.961 115.5 51.5 -53.2 -51.1 21.5 -21.3 9.9 147 7 B K H X S+ 0 0 143 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.929 111.8 47.1 -50.9 -47.2 23.2 -22.2 13.2 148 8 B E H X S+ 0 0 101 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.864 109.6 51.7 -70.0 -36.0 20.5 -20.5 15.2 149 9 B A H X S+ 0 0 3 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.913 112.5 47.0 -64.1 -41.1 17.6 -22.1 13.2 150 10 B L H X S+ 0 0 36 -4,-2.3 4,-3.2 -5,-0.2 5,-0.3 0.901 105.2 59.4 -69.1 -39.1 19.2 -25.5 13.9 151 11 B E H X S+ 0 0 108 -4,-2.3 4,-2.4 -5,-0.2 3,-0.3 0.978 109.0 45.1 -43.9 -67.2 19.6 -24.7 17.5 152 12 B T H X S+ 0 0 43 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.773 110.9 52.2 -47.6 -44.5 15.8 -24.2 17.7 153 13 B L H ><>S+ 0 0 0 -4,-2.0 5,-2.1 2,-0.2 3,-0.8 0.962 112.6 44.7 -60.2 -47.9 15.0 -27.3 15.7 154 14 B K H ><5S+ 0 0 166 -4,-3.2 3,-2.4 -3,-0.3 -2,-0.2 0.916 106.9 60.6 -63.8 -41.0 17.2 -29.4 18.0 155 15 B E H 3<5S+ 0 0 163 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.786 106.3 48.2 -52.4 -31.8 15.7 -27.7 21.1 156 16 B T T <<5S- 0 0 75 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.523 120.0-107.5 -87.3 -6.9 12.3 -29.0 20.0 157 17 B G T < 5 + 0 0 72 -3,-2.4 2,-0.6 -4,-0.4 -3,-0.2 0.791 67.4 154.2 73.3 29.8 13.4 -32.6 19.4 158 18 B V < - 0 0 26 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.839 48.3-118.2 -91.8 121.7 13.2 -32.1 15.7 159 19 B R - 0 0 191 -2,-0.6 2,-0.9 -3,-0.1 5,-0.1 -0.227 17.6-137.2 -60.9 141.0 15.5 -34.4 13.8 160 20 B I + 0 0 68 4,-0.1 -1,-0.1 3,-0.0 -10,-0.0 -0.840 35.2 174.7-110.3 91.5 18.1 -32.5 11.8 161 21 B T > - 0 0 33 -2,-0.9 4,-2.0 1,-0.1 5,-0.2 -0.401 46.7-104.8 -96.2 163.1 18.1 -34.4 8.5 162 22 B P H > S+ 0 0 97 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.887 120.9 53.4 -53.3 -36.1 20.0 -33.6 5.3 163 23 B Q H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.906 109.8 44.2 -71.6 -41.8 16.7 -32.4 3.8 164 24 B R H > S+ 0 0 51 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.855 111.9 53.1 -63.5 -43.7 15.8 -30.0 6.5 165 25 B H H X S+ 0 0 73 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.942 113.5 44.9 -61.7 -45.0 19.3 -28.6 6.8 166 26 B A H X S+ 0 0 12 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.866 110.3 51.8 -64.7 -45.4 19.2 -28.0 3.0 167 27 B I H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.905 113.0 46.9 -60.1 -40.0 15.7 -26.4 2.9 168 28 B L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.789 108.7 51.5 -73.9 -40.5 16.6 -24.0 5.6 169 29 B E H X S+ 0 0 86 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.793 110.1 52.7 -62.7 -33.8 20.0 -22.9 4.2 170 30 B Y H < S+ 0 0 68 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.960 109.8 47.3 -70.4 -50.5 18.2 -22.2 0.9 171 31 B L H >< S+ 0 0 7 -4,-2.0 3,-0.9 1,-0.2 55,-0.3 0.866 111.1 51.8 -48.6 -47.8 15.6 -20.1 2.8 172 32 B V H 3< S+ 0 0 23 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.900 112.1 46.7 -59.5 -35.3 18.5 -18.3 4.6 173 33 B N T 3< S+ 0 0 111 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.505 91.1 120.0 -85.5 2.7 20.2 -17.6 1.3 174 34 B S < - 0 0 34 -3,-0.9 3,-0.1 -4,-0.5 -3,-0.1 -0.322 48.6-162.3 -82.9 142.3 17.0 -16.4 -0.4 175 35 B M S S+ 0 0 132 -2,-0.1 -1,-0.1 -35,-0.1 2,-0.1 0.956 83.3 16.4 -84.4 -67.0 16.5 -13.0 -1.9 176 36 B A S S- 0 0 55 -36,-0.2 -35,-0.0 1,-0.1 0, 0.0 -0.356 105.8 -85.4 -88.8 178.5 12.7 -12.9 -2.1 177 37 B X - 0 0 87 -2,-0.1 48,-0.2 -3,-0.1 -1,-0.1 -0.756 54.6-132.5 -85.1 123.7 10.7 -15.4 -0.2 178 38 B P - 0 0 2 0, 0.0 46,-2.1 0, 0.0 2,-0.2 -0.334 4.0-123.8 -82.8 168.9 10.5 -18.5 -2.3 179 39 B T B > -G 223 0C 15 44,-0.2 4,-1.9 1,-0.1 3,-0.5 -0.546 34.5-106.4 -88.7 166.4 7.6 -20.7 -3.2 180 40 B A H > S+ 0 0 0 42,-0.5 4,-2.9 1,-0.3 5,-0.2 0.901 123.9 57.0 -57.3 -40.8 7.7 -24.4 -2.4 181 41 B D H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.878 104.5 51.6 -62.9 -35.6 8.2 -25.0 -6.1 182 42 B D H > S+ 0 0 65 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.949 113.4 43.8 -61.2 -55.9 11.3 -22.7 -6.1 183 43 B I H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 3,-0.3 0.948 112.1 52.5 -52.5 -59.7 12.9 -24.6 -3.2 184 44 B Y H X S+ 0 0 56 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.900 111.2 47.2 -40.7 -50.2 12.0 -28.1 -4.6 185 45 B K H < S+ 0 0 136 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.2 0.834 110.6 51.5 -70.7 -33.2 13.7 -27.2 -7.9 186 46 B A H < S+ 0 0 54 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.788 118.2 39.1 -66.4 -28.1 16.8 -25.8 -6.3 187 47 B L H >X S+ 0 0 19 -4,-1.6 4,-2.2 -5,-0.2 3,-1.0 0.654 89.9 87.1-100.6 -11.5 17.2 -29.0 -4.2 188 48 B E T 3< S+ 0 0 70 -4,-1.6 6,-0.1 1,-0.3 -1,-0.1 0.871 81.7 60.7 -68.1 -36.0 16.2 -31.7 -6.6 189 49 B G T 34 S+ 0 0 84 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.842 116.3 33.0 -49.6 -37.6 19.7 -32.2 -8.1 190 50 B K T <4 S+ 0 0 181 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.693 114.1 64.2 -93.3 -30.2 21.1 -33.1 -4.7 191 51 B F < - 0 0 29 -4,-2.2 -1,-0.1 1,-0.1 -4,-0.0 -0.929 58.6-175.8-109.9 139.3 18.1 -34.8 -3.3 192 52 B P S S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.979 80.8 32.2 -94.7 -94.5 16.7 -38.1 -4.8 193 53 B N S S+ 0 0 163 2,-0.0 2,-0.3 0, 0.0 -5,-0.0 0.531 90.4 134.0 -21.4 -24.6 13.6 -39.4 -3.3 194 54 B M - 0 0 9 -6,-0.1 2,-0.2 -7,-0.1 -3,-0.1 -0.238 33.5-174.8 -71.1 117.1 12.7 -35.7 -2.6 195 55 B S > - 0 0 47 -2,-0.3 4,-1.2 1,-0.1 -1,-0.0 -0.503 41.2-113.9 -93.9 165.3 9.1 -34.8 -3.6 196 56 B V H > S+ 0 0 48 2,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.746 117.7 64.3 -58.5 -33.2 7.3 -31.5 -3.6 197 57 B A H > S+ 0 0 52 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.976 99.9 47.9 -58.1 -56.8 5.3 -33.1 -0.8 198 58 B T H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.841 106.4 58.8 -59.5 -31.4 8.2 -33.4 1.6 199 59 B V H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 3,-0.3 0.994 111.6 40.4 -54.8 -60.1 9.2 -29.8 0.9 200 60 B Y H X S+ 0 0 87 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.871 113.4 55.1 -53.3 -45.3 5.7 -28.6 2.1 201 61 B N H X S+ 0 0 98 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.876 111.2 43.9 -60.0 -44.4 5.9 -31.1 5.0 202 62 B N H X S+ 0 0 14 -4,-2.5 4,-2.8 -3,-0.3 5,-0.2 0.893 111.3 54.7 -68.0 -36.0 9.2 -29.7 6.2 203 63 B L H X S+ 0 0 1 -4,-2.6 4,-1.3 -5,-0.3 -2,-0.2 0.839 105.4 52.0 -64.7 -34.5 8.0 -26.2 5.7 204 64 B R H X S+ 0 0 144 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.916 109.6 51.4 -65.1 -43.7 5.0 -26.9 8.0 205 65 B V H X S+ 0 0 34 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.915 108.9 49.1 -58.9 -49.6 7.5 -28.2 10.6 206 66 B F H <>S+ 0 0 0 -4,-2.8 5,-3.2 2,-0.2 6,-0.7 0.852 111.2 52.1 -55.1 -34.2 9.6 -25.1 10.4 207 67 B R H ><5S+ 0 0 87 -4,-1.3 3,-1.1 3,-0.2 -2,-0.2 0.921 107.5 48.9 -76.7 -39.9 6.5 -23.0 10.8 208 68 B E H 3<5S+ 0 0 118 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.774 110.9 52.2 -61.7 -30.2 5.2 -24.8 13.9 209 69 B S T 3<5S- 0 0 31 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.448 121.0-115.6 -82.0 -3.1 8.8 -24.3 15.3 210 70 B G T < 5S+ 0 0 50 -3,-1.1 -3,-0.2 2,-0.2 -2,-0.1 0.572 85.1 113.3 82.5 17.7 8.4 -20.6 14.4 211 71 B L S - 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0 0 6 -6,-0.4 2,-0.8 -130,-0.1 -1,-0.3 -0.289 53.1-135.7 -60.1 139.5 11.2 -0.1 2.9 264 124 B K E -D 132 0B 122 -132,-2.8 -132,-1.5 -3,-0.1 2,-0.2 -0.898 35.8-137.0 -93.7 109.8 10.2 -3.8 2.8 265 125 B V E +D 131 0B 39 -2,-0.8 -134,-0.3 -134,-0.2 3,-0.1 -0.461 35.6 168.4 -82.5 137.6 10.3 -4.6 6.5 266 126 B S E - 0 0 53 -136,-2.5 -38,-0.3 1,-0.5 2,-0.3 0.694 64.3 -33.7-111.5 -52.4 11.7 -7.7 8.0 267 127 B H E -D 130 0B 16 -137,-1.4 -137,-2.9 -40,-0.1 -1,-0.5 -0.894 52.2-135.7-162.7-179.5 11.9 -7.1 11.8 268 128 B H E -D 129 0B 1 -2,-0.3 -37,-1.3 -139,-0.3 2,-0.4 -0.942 4.7-147.6-147.3 162.1 12.5 -4.3 14.5 269 129 B R E -De 128 231B 63 -141,-2.4 -141,-3.0 -2,-0.3 2,-0.5 -0.989 19.0-160.6-134.3 124.2 14.4 -3.7 17.7 270 130 B L E -De 127 232B 0 -39,-2.2 -37,-1.9 -2,-0.4 2,-0.5 -0.973 2.9-165.0-110.2 124.0 12.7 -1.4 20.1 271 131 B E E -De 126 233B 22 -145,-3.4 -145,-3.1 -2,-0.5 2,-0.5 -0.962 1.5-166.0-109.0 130.6 14.8 0.2 22.8 272 132 B I E -De 125 234B 1 -39,-2.6 -37,-3.0 -2,-0.5 2,-0.3 -0.914 8.6-154.4-114.6 123.4 13.0 1.9 25.7 273 133 B Y E +De 124 235B 49 -149,-3.8 -150,-3.5 -2,-0.5 -149,-1.5 -0.810 36.8 103.0-103.9 151.4 14.9 4.2 28.0 274 134 B G E -De 122 236B 0 -39,-2.2 -37,-2.4 -2,-0.3 2,-0.4 -0.866 66.5 -61.3 176.4-155.3 14.2 5.0 31.6 275 135 B V E -D 121 0B 17 -154,-1.6 -154,-2.5 -2,-0.3 -39,-0.1 -0.984 45.4-128.5-130.9 120.2 15.2 4.3 35.2 276 136 B C > - 0 0 2 -2,-0.4 4,-2.4 -156,-0.2 -156,-0.1 -0.104 27.7-105.8 -64.9 162.9 15.0 0.8 36.7 277 137 B Q H > S+ 0 0 122 -159,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.900 119.5 53.4 -52.8 -51.8 13.2 0.1 40.0 278 138 B E H > S+ 0 0 147 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.887 113.8 41.4 -60.2 -38.3 16.4 -0.4 41.9 279 139 B C H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.819 107.3 64.5 -78.9 -26.8 17.8 3.0 40.7 280 140 B S H X>S+ 0 0 20 -4,-2.4 4,-3.4 2,-0.2 5,-1.3 0.951 98.4 53.8 -53.6 -50.2 14.3 4.7 41.2 281 141 B K H <5S+ 0 0 186 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.961 111.5 45.0 -48.4 -61.3 14.5 4.0 44.9 282 142 B K H <5S+ 0 0 191 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.875 118.1 40.4 -50.9 -54.4 17.9 5.8 45.2 283 143 B E H <5S- 0 0 50 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.891 112.6-126.7 -61.6 -42.3 17.1 8.9 43.0 284 144 B N T <5 0 0 135 -4,-3.4 -3,-0.2 -5,-0.4 -4,-0.1 0.491 360.0 360.0 114.5 19.9 13.8 8.7 44.8 285 145 B H < 0 0 31 -5,-1.3 -1,-0.1 -6,-0.3 -4,-0.1 0.831 360.0 360.0 68.9 360.0 11.6 8.7 41.7