==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION 09-JAN-01 1HW5 . COMPND 2 MOLECULE: CATABOLITE GENE ACTIVATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.Y.CHU,M.TORDOVA,G.L.GILLILAND,I.GORSHKOVA,Y.SHI . 413 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 73.8 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 . 96 23.2 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 24 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 4 0 2 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 2 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 . 3 5 3 3 2 2 2 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 1 5 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 V 0 0 139 0, 0.0 3,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 139.2 23.1 -17.3 58.3 2 2 A L - 0 0 80 1,-0.5 2,-0.3 2,-0.1 5,-0.1 0.036 360.0-109.6 -93.6 20.3 20.7 -18.9 60.8 3 3 A G S S- 0 0 37 1,-0.3 -1,-0.5 3,-0.1 3,-0.2 -0.661 82.5 -11.1 83.6-136.4 20.6 -21.5 58.0 4 4 A K S S+ 0 0 211 -2,-0.3 2,-0.9 1,-0.2 -1,-0.3 0.975 141.6 47.0 -53.7 -56.4 17.4 -21.7 56.0 5 5 A P - 0 0 83 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 -0.755 68.5-175.4 -96.6 102.7 15.6 -19.4 58.5 6 6 A Q + 0 0 109 -2,-0.9 -3,-0.1 1,-0.2 -2,-0.0 -0.767 25.7 143.6 -96.5 94.7 17.7 -16.3 59.4 7 7 A T > - 0 0 47 -2,-1.0 4,-0.5 -5,-0.1 5,-0.3 0.864 26.0-174.5-101.9 -43.9 15.6 -14.6 62.1 8 8 A D H >> - 0 0 27 1,-0.2 4,-1.7 3,-0.1 3,-0.6 0.656 40.4-105.9 50.3 141.3 18.0 -13.1 64.7 9 9 A P H 3> S+ 0 0 101 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.649 116.5 73.1 -74.5 -11.6 16.7 -11.4 67.8 10 10 A T H 3> S+ 0 0 31 2,-0.2 4,-2.5 3,-0.2 -2,-0.1 0.961 105.2 40.4 -62.1 -44.4 17.5 -8.0 66.4 11 11 A L H < S+ 0 0 1 -4,-2.5 3,-2.2 -5,-0.3 -2,-0.2 0.972 113.5 48.5 -57.5 -55.4 12.3 -5.1 66.4 15 15 A L H >< S+ 0 0 22 -4,-4.1 3,-2.1 1,-0.3 -1,-0.2 0.821 98.3 67.6 -60.4 -32.1 9.1 -7.1 65.7 16 16 A S T 3< S+ 0 0 89 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.589 98.9 54.2 -66.3 -5.9 8.1 -7.2 69.4 17 17 A H T < S+ 0 0 61 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.3 0.317 102.3 75.0-105.9 4.8 7.6 -3.4 69.1 18 18 A C S < S- 0 0 15 -3,-2.1 2,-0.5 -4,-0.1 79,-0.2 -0.831 76.0-126.1-117.0 154.5 5.2 -3.7 66.2 19 19 A H E -A 96 0A 140 77,-1.8 77,-1.7 -2,-0.3 2,-0.4 -0.862 28.1-142.9 -93.3 132.3 1.6 -4.7 65.6 20 20 A I E -A 95 0A 79 -2,-0.5 2,-0.3 75,-0.2 75,-0.2 -0.842 21.7-178.3 -99.9 136.8 1.3 -7.4 62.9 21 21 A H E -A 94 0A 84 73,-2.0 73,-2.3 -2,-0.4 2,-0.3 -0.942 19.8-127.5-136.9 147.2 -1.6 -7.3 60.6 22 22 A K E -A 93 0A 124 -2,-0.3 71,-0.2 71,-0.2 69,-0.0 -0.682 18.1-171.5 -99.7 153.0 -2.8 -9.5 57.7 23 23 A Y E -A 92 0A 44 69,-2.8 69,-3.5 -2,-0.3 3,-0.1 -0.921 18.1-134.8-141.8 118.0 -3.7 -8.4 54.2 24 24 A P > - 0 0 83 0, 0.0 3,-1.9 0, 0.0 64,-0.2 -0.287 48.1 -74.7 -59.9 153.5 -5.3 -10.6 51.5 25 25 A S T 3 S+ 0 0 37 1,-0.2 64,-0.2 64,-0.1 66,-0.1 -0.203 120.1 24.1 -47.1 140.6 -3.9 -10.5 48.0 26 26 A K T 3 S+ 0 0 161 62,-3.4 2,-0.3 1,-0.3 -1,-0.2 0.332 87.3 134.3 75.5 1.3 -4.7 -7.4 46.0 27 27 A S < - 0 0 37 -3,-1.9 61,-2.7 61,-0.1 2,-0.7 -0.610 59.2-125.0 -72.2 136.0 -5.3 -5.3 49.2 28 28 A T E -D 87 0B 40 -2,-0.3 59,-0.3 59,-0.2 3,-0.1 -0.726 27.4-179.1 -83.4 112.2 -3.5 -1.9 49.0 29 29 A L E S+ 0 0 9 57,-1.9 2,-0.4 -2,-0.7 58,-0.2 0.892 72.8 24.5 -76.0 -35.7 -1.2 -1.5 52.0 30 30 A I E -D 86 0B 5 56,-1.8 56,-2.3 4,-0.0 2,-0.5 -0.993 68.7-150.9-137.0 133.5 -0.1 2.0 51.1 31 31 A H > - 0 0 81 -2,-0.4 3,-2.0 54,-0.2 51,-0.3 -0.912 30.1-111.6-108.9 125.8 -1.8 4.7 49.0 32 32 A Q T 3 S+ 0 0 82 -2,-0.5 51,-0.2 1,-0.2 53,-0.1 -0.268 102.9 23.7 -54.1 133.9 0.3 7.2 47.1 33 33 A G T 3 S+ 0 0 23 49,-2.0 -1,-0.2 1,-0.3 3,-0.1 0.149 86.7 132.1 96.8 -22.7 -0.1 10.7 48.6 34 34 A E S < S- 0 0 85 -3,-2.0 48,-2.5 1,-0.1 -1,-0.3 -0.219 73.3 -91.7 -54.1 155.3 -1.1 9.5 52.0 35 35 A K B -G 81 0C 138 46,-0.2 2,-0.8 -3,-0.1 46,-0.3 -0.572 41.8-126.4 -70.0 131.9 0.8 11.3 54.8 36 36 A A + 0 0 6 44,-3.6 44,-0.4 -2,-0.3 43,-0.3 -0.681 60.3 128.2 -87.1 111.4 3.8 9.1 55.7 37 37 A E + 0 0 104 -2,-0.8 62,-2.4 1,-0.2 2,-0.4 0.392 55.1 69.9-138.6 4.1 3.9 8.4 59.4 38 38 A T E -B 98 0A 27 60,-0.3 2,-0.4 -3,-0.1 60,-0.2 -0.986 57.5-149.7-137.3 139.1 4.3 4.6 59.5 39 39 A L E -B 97 0A 1 58,-3.0 58,-2.1 -2,-0.4 2,-0.3 -0.837 17.2-158.3-104.0 140.0 7.0 2.0 58.8 40 40 A Y E -BC 96 70A 22 30,-2.9 30,-2.1 -2,-0.4 2,-0.4 -0.860 8.6-163.9-114.7 153.1 6.1 -1.5 57.7 41 41 A Y E -BC 95 69A 29 54,-2.5 54,-3.6 -2,-0.3 2,-0.9 -0.985 22.4-130.5-135.9 129.2 8.0 -4.8 57.7 42 42 A I E +B 94 0A 0 26,-2.2 25,-3.1 -2,-0.4 26,-0.3 -0.721 28.9 171.2 -87.0 103.6 7.0 -7.8 55.6 43 43 A V E S+ 0 0 39 50,-1.4 2,-0.3 -2,-0.9 51,-0.2 0.863 73.5 0.7 -75.1 -40.9 6.8 -10.9 57.8 44 44 A K E S+B 93 0A 119 49,-2.5 49,-3.1 22,-0.1 -1,-0.3 -0.971 107.5 27.2-152.2 139.2 5.2 -13.0 55.2 45 45 A G - 0 0 17 -2,-0.3 21,-0.8 47,-0.2 2,-0.3 -0.490 68.3 -95.9 110.4-172.5 4.1 -12.5 51.6 46 46 A S E -E 65 0B 10 45,-0.2 43,-2.9 19,-0.2 44,-1.5 -0.986 29.2-159.9-146.4 158.3 5.2 -10.2 48.7 47 47 A V E -EF 64 88B 0 17,-3.1 17,-2.6 -2,-0.3 2,-0.5 -0.893 16.3-124.6-137.1 163.6 4.0 -6.9 47.3 48 48 A A E -EF 63 87B 12 39,-3.1 39,-2.5 -2,-0.3 2,-0.6 -0.930 14.1-154.9-108.4 129.8 4.0 -4.7 44.3 49 49 A V E +EF 62 86B 19 13,-3.7 12,-3.1 -2,-0.5 13,-1.3 -0.893 30.9 170.1 -97.5 124.3 5.3 -1.1 44.5 50 50 A L E -EF 60 85B 7 35,-3.2 35,-2.6 -2,-0.6 2,-0.3 -0.945 28.6-153.8-139.1 158.9 3.6 0.8 41.7 51 51 A I E -E 59 0B 9 8,-2.9 8,-2.3 -2,-0.3 2,-0.3 -0.920 16.7-145.1-124.0 157.1 3.1 4.3 40.3 52 52 A K E -E 58 0B 72 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.875 5.6-139.2-120.4 155.2 0.2 5.5 38.2 53 53 A D - 0 0 40 4,-2.1 3,-0.5 -2,-0.3 289,-0.0 -0.388 41.2 -88.4 -97.8-174.8 0.0 8.1 35.4 54 54 A E S S+ 0 0 206 1,-0.2 -1,-0.0 -2,-0.1 -2,-0.0 0.582 125.8 49.8 -71.1 -15.5 -2.7 10.7 34.8 55 55 A E S S- 0 0 166 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.714 124.0 -95.7 -96.0 -19.1 -4.8 8.3 32.7 56 56 A G S S+ 0 0 38 -3,-0.5 2,-0.3 1,-0.3 -2,-0.1 0.437 72.3 147.5 117.2 8.4 -4.8 5.3 35.2 57 57 A K - 0 0 93 1,-0.0 -4,-2.1 120,-0.0 2,-0.4 -0.591 32.5-153.3 -78.0 141.0 -1.9 3.4 33.8 58 58 A E E -E 52 0B 46 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.918 13.7-176.5-116.9 138.5 0.1 1.5 36.4 59 59 A M E -E 51 0B 1 -8,-2.3 -8,-2.9 -2,-0.4 2,-0.5 -0.968 26.8-118.6-132.5 153.1 3.7 0.5 36.3 60 60 A I E -E 50 0B 7 114,-1.0 -10,-0.3 -2,-0.3 3,-0.1 -0.765 19.4-175.8 -92.9 118.2 5.7 -1.5 38.9 61 61 A L E S- 0 0 28 -12,-3.1 2,-0.3 -2,-0.5 -11,-0.2 0.812 71.5 -31.8 -78.3 -30.0 8.7 0.2 40.5 62 62 A S E -E 49 0B 35 -13,-1.3 -13,-3.7 2,-0.0 -1,-0.4 -0.953 49.2-118.9-178.5 156.3 9.5 -3.0 42.3 63 63 A Y E -E 48 0B 44 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.854 32.0-165.5 -98.6 139.6 8.4 -6.2 43.9 64 64 A L E -E 47 0B 13 -17,-2.6 -17,-3.1 -2,-0.4 2,-0.2 -0.952 6.7-172.5-128.6 158.8 9.3 -6.5 47.6 65 65 A N E > -E 46 0B 70 -2,-0.3 3,-2.3 -19,-0.3 -23,-0.3 -0.729 39.0 -40.7-139.0-178.2 9.2 -9.7 49.8 66 66 A Q T 3 S+ 0 0 127 -21,-0.8 -23,-0.2 1,-0.3 -1,-0.1 -0.187 123.9 30.0 -54.9 136.8 9.5 -11.1 53.3 67 67 A G T 3 S+ 0 0 24 -25,-3.1 2,-0.3 1,-0.3 -1,-0.3 0.253 96.2 119.7 92.5 -9.5 12.2 -9.5 55.2 68 68 A D < - 0 0 34 -3,-2.3 -26,-2.2 -26,-0.3 -1,-0.3 -0.698 58.8-136.1 -90.6 139.0 11.8 -6.2 53.3 69 69 A F E -C 41 0A 7 -2,-0.3 2,-0.3 -28,-0.2 -28,-0.2 -0.567 23.3-171.9 -83.3 159.2 10.9 -2.9 54.9 70 70 A I E +C 40 0A 3 -30,-2.1 -30,-2.9 -2,-0.2 16,-0.0 -0.976 61.7 33.3-145.7 152.6 8.2 -0.8 53.2 71 71 A G S S+ 0 0 10 -2,-0.3 3,-0.3 -32,-0.2 -33,-0.1 0.727 78.9 125.8 74.6 21.3 6.9 2.8 53.9 72 72 A E > + 0 0 9 1,-0.2 3,-1.4 2,-0.1 4,-0.2 0.614 43.8 81.8 -86.4 -16.7 10.4 3.8 54.9 73 73 A L G > S+ 0 0 21 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.741 87.4 53.1 -71.0 -22.6 11.0 6.8 52.6 74 74 A G G 3 S+ 0 0 3 -3,-0.3 3,-0.5 1,-0.2 6,-0.3 0.301 84.6 98.1 -90.8 11.0 9.2 9.4 54.7 75 75 A L G < S+ 0 0 1 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.728 72.1 55.2 -75.6 -22.4 11.2 8.5 57.7 76 76 A F S < S+ 0 0 29 -3,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.619 116.3 20.8-101.5 -2.0 13.9 11.2 57.7 77 77 A E S S- 0 0 141 -3,-0.5 3,-0.4 250,-0.0 -1,-0.2 -0.974 83.2-122.9-142.9 145.0 11.8 14.4 57.6 78 78 A E S S+ 0 0 148 -2,-0.3 -41,-0.1 1,-0.2 -3,-0.1 -0.428 84.5 49.4 -89.2 171.5 8.2 14.7 58.7 79 79 A G S S+ 0 0 71 -43,-0.3 -1,-0.2 1,-0.3 2,-0.2 0.671 79.1 139.5 84.6 17.7 5.3 15.9 56.6 80 80 A Q - 0 0 43 -3,-0.4 -44,-3.6 -44,-0.4 2,-0.3 -0.547 46.0-126.4 -95.4 167.1 6.0 13.8 53.6 81 81 A E B -G 35 0C 130 -46,-0.3 -46,-0.2 -2,-0.2 2,-0.2 -0.782 32.6 -94.6-107.0 149.5 3.8 11.8 51.3 82 82 A R - 0 0 18 -48,-2.5 -49,-2.0 -51,-0.3 -1,-0.0 -0.457 33.6-146.4 -57.5 128.9 3.9 8.2 50.3 83 83 A S - 0 0 42 -51,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.503 69.3 -2.7 -84.1 -5.1 5.9 8.1 47.1 84 84 A A S S- 0 0 4 -53,-0.1 2,-0.3 -33,-0.1 -33,-0.2 -0.970 78.9 -86.1-167.9 171.2 4.0 5.2 45.5 85 85 A W E - F 0 50B 37 -35,-2.6 -35,-3.2 -2,-0.3 2,-0.4 -0.686 32.1-158.2 -88.3 146.9 1.2 2.6 45.9 86 86 A V E -DF 30 49B 8 -56,-2.3 -57,-1.9 -2,-0.3 -56,-1.8 -0.986 12.4-176.4-130.0 122.7 2.0 -0.7 47.6 87 87 A R E -DF 28 48B 53 -39,-2.5 -39,-3.1 -2,-0.4 2,-0.3 -0.955 29.6-115.9-124.2 132.9 -0.3 -3.7 46.9 88 88 A A E - F 0 47B 3 -61,-2.7 -62,-3.4 -2,-0.4 -41,-0.3 -0.484 23.2-173.4 -64.7 125.5 -0.2 -7.2 48.3 89 89 A K S S+ 0 0 79 -43,-2.9 2,-0.2 -2,-0.3 -42,-0.2 0.757 77.1 16.0 -92.6 -30.0 0.5 -9.7 45.5 90 90 A T S S- 0 0 57 -44,-1.5 -64,-0.2 1,-0.1 2,-0.1 -0.712 112.0 -65.8-121.9-179.8 -0.1 -12.6 47.8 91 91 A A - 0 0 47 -2,-0.2 2,-0.4 -67,-0.1 -45,-0.2 -0.448 67.6-158.0 -57.0 141.1 -1.7 -12.8 51.2 92 92 A C E -A 23 0A 0 -69,-3.5 -69,-2.8 -47,-0.2 2,-0.5 -0.970 29.9-159.8-133.7 151.5 0.6 -10.9 53.5 93 93 A E E +AB 22 44A 49 -49,-3.1 -49,-2.5 -2,-0.4 -50,-1.4 -0.999 26.4 178.6-121.8 124.8 1.5 -10.4 57.1 94 94 A V E -AB 21 42A 0 -73,-2.3 -73,-2.0 -2,-0.5 -52,-0.3 -0.997 22.6-141.8-131.8 128.1 3.2 -7.1 57.8 95 95 A A E -AB 20 41A 0 -54,-3.6 -54,-2.5 -2,-0.4 2,-0.3 -0.584 24.7-168.6 -80.9 150.9 4.5 -5.6 61.0 96 96 A E E +AB 19 40A 51 -77,-1.7 -77,-1.8 -56,-0.2 2,-0.3 -0.992 13.0 169.7-143.0 149.9 3.9 -1.8 61.4 97 97 A I E - B 0 39A 10 -58,-2.1 -58,-3.0 -2,-0.3 -79,-0.1 -0.985 38.1 -96.6-154.5 145.7 5.2 0.9 63.7 98 98 A S E > - B 0 38A 56 -2,-0.3 4,-2.9 -60,-0.2 -60,-0.3 -0.227 31.4-122.0 -58.8 151.0 5.0 4.6 63.9 99 99 A Y H > S+ 0 0 6 -62,-2.4 4,-3.9 2,-0.2 5,-0.2 0.924 113.5 52.1 -56.0 -45.9 8.0 6.6 62.6 100 100 A K H > S+ 0 0 119 -63,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.944 111.5 47.3 -60.7 -43.6 8.5 8.3 66.0 101 101 A K H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.953 114.9 46.0 -60.2 -50.9 8.5 4.9 67.7 102 102 A F H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.933 108.7 55.0 -60.0 -46.7 10.9 3.6 65.1 103 103 A R H X S+ 0 0 55 -4,-3.9 4,-1.1 1,-0.2 -1,-0.2 0.869 108.3 51.5 -53.8 -35.5 13.1 6.7 65.4 104 104 A Q H X S+ 0 0 123 -4,-1.9 4,-1.4 -5,-0.2 3,-0.4 0.921 104.6 54.7 -67.1 -44.0 13.2 5.9 69.1 105 105 A L H X S+ 0 0 9 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.871 102.2 59.7 -55.6 -37.5 14.3 2.3 68.5 106 106 A I H < S+ 0 0 4 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.888 98.9 56.1 -61.3 -41.2 17.2 3.6 66.4 107 107 A Q H < S+ 0 0 124 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.967 111.7 42.8 -53.2 -58.4 18.6 5.5 69.3 108 108 A V H < S+ 0 0 117 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.932 135.9 11.8 -53.9 -52.0 18.8 2.4 71.4 109 109 A N >< - 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0 0 104 -2,-0.1 4,-2.7 1,-0.1 5,-0.3 -0.383 43.1 -89.3 -76.8 168.6 12.7 -1.4 23.1 139 139 A V H > S+ 0 0 42 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.819 130.9 49.6 -56.1 -32.3 9.5 -3.0 24.5 140 140 A T H > S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.953 110.9 50.3 -67.5 -42.5 10.6 -6.4 23.3 141 141 A G H > S+ 0 0 19 -3,-0.3 4,-2.6 1,-0.2 5,-0.3 0.951 110.1 48.9 -61.3 -48.6 14.0 -5.9 25.0 142 142 A R H X S+ 0 0 23 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.934 110.3 52.9 -54.1 -42.7 12.5 -4.9 28.3 143 143 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.965 109.3 47.7 -63.6 -45.2 10.2 -7.9 28.1 144 144 A A H X S+ 0 0 29 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.946 112.5 48.6 -60.3 -49.3 13.1 -10.3 27.6 145 145 A Q H X S+ 0 0 52 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.947 110.7 52.5 -49.2 -52.0 15.2 -8.8 30.4 146 146 A T H >X S+ 0 0 14 -4,-2.6 4,-2.4 -5,-0.3 3,-1.5 0.934 109.8 47.1 -49.8 -56.2 12.1 -9.0 32.7 147 147 A L H 3X S+ 0 0 3 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.927 109.7 54.1 -49.8 -53.3 11.6 -12.6 31.9 148 148 A L H 3< S+ 0 0 21 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.607 111.8 47.1 -57.3 -20.2 15.3 -13.2 32.5 149 149 A N H X< S+ 0 0 43 -3,-1.5 3,-2.4 -4,-1.0 -2,-0.2 0.919 106.3 52.1 -86.5 -56.8 14.9 -11.6 35.9 150 150 A L H 3< S+ 0 0 22 -4,-2.4 3,-0.4 1,-0.3 -2,-0.2 0.738 112.2 50.7 -50.1 -32.3 11.7 -13.3 37.2 151 151 A A T 3< S+ 0 0 9 -4,-1.8 -1,-0.3 -5,-0.2 6,-0.3 0.608 95.1 72.9 -79.8 -19.7 13.5 -16.6 36.4 152 152 A K S < S+ 0 0 98 -3,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.079 84.4 88.4 -90.2 29.8 16.6 -15.5 38.3 153 153 A Q S > S- 0 0 69 -3,-0.4 3,-1.7 4,-0.1 4,-0.2 -0.894 83.8-119.7-126.7 157.2 15.0 -16.0 41.7 154 154 A P T 3 S+ 0 0 140 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 0.347 111.9 63.3 -73.9 7.6 14.6 -18.9 44.1 155 155 A D T 3 S+ 0 0 94 -5,-0.2 -3,-0.1 2,-0.1 -4,-0.1 0.366 89.6 81.4-107.9 -2.0 10.8 -18.6 43.7 156 156 A A S < S- 0 0 11 -3,-1.7 2,-0.3 -5,-0.1 -5,-0.1 0.785 80.0-120.1 -68.2-118.0 11.0 -19.4 40.1 157 157 A M - 0 0 96 -6,-0.3 2,-0.3 -4,-0.2 -1,-0.1 -0.926 10.4-111.4 178.8 174.2 11.2 -23.1 39.0 158 158 A T + 0 0 103 -2,-0.3 5,-0.3 5,-0.2 3,-0.1 -0.835 32.1 155.2-126.8 160.3 13.3 -25.6 37.1 159 159 A H B > -H 162 0D 61 3,-1.7 3,-2.3 -2,-0.3 -2,-0.0 -0.919 52.5-103.6 179.2 148.1 12.9 -27.6 33.9 160 160 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.944 125.0 47.9 -53.6 -49.9 15.0 -29.3 31.2 161 161 A D T 3 S- 0 0 98 1,-0.1 2,-0.4 -3,-0.1 42,-0.0 0.443 132.1 -91.3 -72.6 3.9 14.4 -26.4 28.8 162 162 A G B < S-H 159 0D 9 -3,-2.3 -3,-1.7 2,-0.0 2,-0.3 -0.989 70.4 -19.2 138.6-124.9 15.3 -24.1 31.7 163 163 A M E -I 204 0E 44 41,-2.1 41,-2.2 -2,-0.4 2,-0.3 -0.958 51.2-146.2-129.0 140.2 13.2 -22.4 34.4 164 164 A Q E -I 203 0E 42 -2,-0.3 2,-0.3 39,-0.3 39,-0.3 -0.864 12.9-170.1-114.8 149.6 9.5 -21.7 34.5 165 165 A I E -I 202 0E 7 37,-3.2 2,-0.7 -2,-0.3 37,-0.5 -0.945 24.6-128.7-139.1 153.5 7.6 -18.8 36.1 166 166 A K E +I 201 0E 136 -2,-0.3 2,-0.3 35,-0.3 35,-0.2 -0.908 51.5 138.0-100.1 93.2 4.1 -17.8 36.9 167 167 A I - 0 0 13 33,-1.0 2,-0.2 -2,-0.7 35,-0.2 -0.959 38.3-136.2-140.5 156.0 3.5 -14.3 35.4 168 168 A T > - 0 0 71 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.717 26.2-112.3-114.4 168.7 0.6 -12.6 33.5 169 169 A R H > S+ 0 0 132 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.850 119.3 49.7 -61.5 -39.3 0.3 -10.4 30.5 170 170 A Q H > S+ 0 0 92 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.929 109.0 53.0 -67.3 -44.7 -0.8 -7.5 32.7 171 171 A E H >> S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 3,-0.9 0.966 112.2 42.8 -48.7 -72.3 2.1 -8.0 35.1 172 172 A I H 3X S+ 0 0 1 -4,-2.1 4,-3.0 1,-0.3 5,-0.4 0.857 113.1 54.5 -44.6 -47.7 4.7 -7.9 32.4 173 173 A G H 3X>S+ 0 0 5 -4,-2.2 4,-2.8 1,-0.3 5,-1.2 0.916 107.3 49.5 -57.5 -41.7 3.0 -4.9 30.8 174 174 A Q H <<5S+ 0 0 37 -4,-2.7 -114,-1.0 -3,-0.9 -1,-0.3 0.887 112.8 49.0 -67.1 -32.9 3.1 -3.0 34.1 175 175 A I H <5S+ 0 0 18 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.894 123.7 27.7 -75.9 -33.3 6.7 -3.8 34.4 176 176 A V H <5S- 0 0 2 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.644 109.5-105.7-106.0 -9.6 7.7 -2.8 30.9 177 177 A G T <5S+ 0 0 22 -4,-2.8 2,-0.3 -5,-0.4 -3,-0.2 0.940 76.6 95.2 89.2 65.5 5.2 -0.1 29.9 178 178 A C < - 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0 0 30 -2,-0.6 -2,-0.1 4,-0.0 2,-0.1 -0.941 48.2-121.7-162.7 143.4 19.9 23.8 27.7 377 168 B T > - 0 0 68 -2,-0.3 4,-1.6 1,-0.1 5,-0.2 -0.370 27.1-111.0 -86.6 173.6 21.9 22.1 25.0 378 169 B R H > S+ 0 0 147 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.855 118.6 50.6 -61.9 -37.9 20.8 19.4 22.6 379 170 B Q H > S+ 0 0 75 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.868 105.0 53.1 -77.7 -31.5 23.2 17.0 24.3 380 171 B E H > S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 -111,-0.2 0.939 109.9 49.7 -67.6 -43.1 22.0 17.6 27.9 381 172 B I H X S+ 0 0 2 -4,-1.6 4,-2.9 1,-0.2 5,-0.3 0.925 110.0 51.6 -53.2 -44.1 18.4 17.0 26.9 382 173 B G H X>S+ 0 0 2 -4,-1.7 5,-2.1 1,-0.2 4,-1.6 0.907 110.6 48.2 -58.6 -39.4 19.7 13.8 25.2 383 174 B Q H <5S+ 0 0 17 -4,-1.8 -114,-3.6 1,-0.2 -1,-0.2 0.789 111.1 51.6 -74.8 -29.9 21.4 12.8 28.5 384 175 B I H <5S+ 0 0 40 -4,-2.5 -2,-0.2 -116,-0.2 -1,-0.2 0.949 121.8 29.3 -73.2 -41.7 18.2 13.6 30.4 385 176 B V H <5S- 0 0 5 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.475 108.9-111.9 -98.4 -2.0 15.9 11.4 28.2 386 177 B G T <5S+ 0 0 4 -4,-1.6 2,-0.3 -5,-0.3 -3,-0.2 0.894 76.7 110.7 79.6 34.5 18.4 8.8 27.1 387 178 B C S - 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