==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 11-MAY-11 3RYR . COMPND 2 MOLECULE: CATABOLITE GENE ACTIVATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.KNAPP,M.A.WHITE,J.C.LEE . 402 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 75.4 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 . 90 22.4 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 . 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 . 27 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 3 0 2 0 0 2 2 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 . 2 7 2 3 1 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 8 A D > 0 0 94 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 122.9 -13.5 15.1 -4.6 2 9 A P H > + 0 0 105 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.893 360.0 43.6 -53.7 -50.1 -15.1 12.4 -6.8 3 10 A T H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.839 115.8 46.6 -75.6 -33.5 -14.5 9.5 -4.5 4 11 A L H > S+ 0 0 30 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.842 114.5 47.6 -75.5 -32.5 -15.5 11.2 -1.3 5 12 A E H X S+ 0 0 140 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.937 112.7 49.1 -74.0 -44.4 -18.7 12.6 -2.9 6 13 A W H X S+ 0 0 71 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.919 113.7 47.3 -54.4 -49.1 -19.5 9.2 -4.4 7 14 A F H >< S+ 0 0 1 -4,-2.1 3,-1.7 1,-0.2 4,-0.5 0.945 110.6 50.9 -57.5 -50.9 -18.9 7.7 -0.9 8 15 A L H >< S+ 0 0 49 -4,-2.7 3,-1.0 1,-0.3 -1,-0.2 0.774 96.1 70.8 -61.8 -25.7 -21.0 10.3 0.8 9 16 A S H 3< S+ 0 0 83 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.794 101.8 45.4 -62.5 -25.6 -23.9 9.6 -1.7 10 17 A H T << S+ 0 0 65 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.539 99.3 88.6 -94.2 -9.1 -24.4 6.3 0.0 11 18 A C S < S- 0 0 19 -3,-1.0 2,-0.6 -4,-0.5 79,-0.2 -0.504 71.7-132.7 -89.8 156.6 -24.2 7.5 3.6 12 19 A H - 0 0 89 77,-2.5 77,-0.3 -2,-0.2 2,-0.1 -0.963 30.2-140.0-104.7 120.4 -27.0 8.9 5.8 13 20 A I - 0 0 77 -2,-0.6 2,-0.3 75,-0.2 75,-0.2 -0.450 21.5-178.1 -82.3 151.8 -25.9 12.1 7.4 14 21 A H E -A 87 0A 79 73,-2.2 73,-3.5 -2,-0.1 2,-0.5 -0.990 19.6-136.5-144.5 149.6 -26.6 13.1 10.9 15 22 A K E -A 86 0A 158 -2,-0.3 71,-0.2 71,-0.2 69,-0.0 -0.927 16.2-163.0-108.2 133.1 -25.8 16.2 13.0 16 23 A Y E -A 85 0A 44 69,-2.1 69,-2.2 -2,-0.5 3,-0.1 -0.951 17.1-128.8-114.8 131.6 -24.6 15.8 16.6 17 24 A P > - 0 0 90 0, 0.0 3,-1.3 0, 0.0 64,-0.2 -0.197 43.9 -78.4 -67.6 168.6 -24.7 18.7 19.1 18 25 A S T 3 S+ 0 0 56 1,-0.2 64,-0.2 64,-0.1 66,-0.1 -0.425 118.1 24.1 -66.5 144.7 -21.5 19.6 21.0 19 26 A K T 3 S+ 0 0 182 62,-2.0 -1,-0.2 1,-0.3 2,-0.1 0.320 91.1 134.8 83.0 -6.7 -20.8 17.3 24.0 20 27 A S < - 0 0 24 -3,-1.3 61,-3.0 63,-0.2 2,-0.6 -0.436 57.6-124.5 -75.4 147.7 -22.8 14.4 22.4 21 28 A T E +D 80 0B 41 59,-0.2 59,-0.3 1,-0.2 3,-0.1 -0.841 26.4 178.5 -92.4 118.4 -21.4 10.9 22.4 22 29 A L E S+ 0 0 10 57,-3.4 2,-0.4 -2,-0.6 58,-0.2 0.868 74.3 23.5 -83.1 -41.9 -21.2 9.5 18.9 23 30 A I E -D 79 0B 5 56,-1.4 56,-2.3 4,-0.0 2,-0.5 -0.986 69.0-153.4-128.5 135.7 -19.6 6.2 19.9 24 31 A H > - 0 0 80 -2,-0.4 3,-2.0 54,-0.2 51,-0.3 -0.926 30.0-111.0-108.3 130.1 -19.7 4.4 23.3 25 32 A Q T 3 S+ 0 0 82 -2,-0.5 51,-0.2 1,-0.2 53,-0.1 -0.340 103.6 27.1 -56.3 133.9 -16.9 2.0 24.3 26 33 A G T 3 S+ 0 0 23 49,-3.1 -1,-0.2 1,-0.3 50,-0.1 0.187 88.1 129.8 98.6 -18.0 -18.2 -1.5 24.3 27 34 A E < - 0 0 89 -3,-2.0 48,-3.3 47,-0.1 2,-0.5 -0.223 69.2 -96.1 -64.9 159.1 -21.0 -1.1 21.8 28 35 A K B -G 74 0C 133 46,-0.2 2,-0.5 -3,-0.1 46,-0.2 -0.673 40.2-132.8 -81.9 126.8 -21.3 -3.5 18.9 29 36 A A + 0 0 13 44,-1.9 44,-0.2 -2,-0.5 43,-0.2 -0.690 55.3 127.1 -89.2 121.9 -19.6 -2.2 15.8 30 37 A E + 0 0 129 -2,-0.5 62,-0.9 1,-0.1 2,-0.3 0.059 56.9 77.9-154.0 31.6 -21.5 -2.3 12.5 31 38 A T E -B 91 0A 27 60,-0.3 2,-0.4 33,-0.3 60,-0.3 -0.998 58.5-150.7-146.3 136.3 -21.4 1.3 11.3 32 39 A L E -B 90 0A 0 58,-3.8 58,-1.6 -2,-0.3 2,-0.3 -0.887 18.1-156.2-107.4 140.5 -18.6 3.4 9.6 33 40 A Y E -BC 89 63A 20 30,-2.7 30,-2.1 -2,-0.4 2,-0.4 -0.866 12.7-169.1-118.2 151.6 -18.5 7.2 10.2 34 41 A Y E -BC 88 62A 22 54,-1.8 54,-3.9 -2,-0.3 2,-0.8 -0.980 22.0-134.8-137.6 126.0 -17.1 10.1 8.2 35 42 A I E +B 87 0A 0 26,-2.2 25,-3.6 -2,-0.4 26,-0.3 -0.694 28.8 168.7 -83.1 105.9 -16.9 13.6 9.8 36 43 A V E S+ 0 0 39 50,-2.4 2,-0.4 -2,-0.8 -1,-0.2 0.858 72.8 16.2 -79.8 -36.3 -18.1 16.1 7.2 37 44 A K E S+B 86 0A 117 49,-2.0 49,-2.8 22,-0.1 -1,-0.3 -0.988 107.8 11.4-146.3 127.7 -18.3 19.0 9.8 38 45 A G - 0 0 18 -2,-0.4 21,-0.5 47,-0.2 2,-0.3 -0.659 69.3 -90.5 111.6-166.3 -16.8 19.5 13.2 39 46 A S E -E 58 0B 17 45,-0.4 43,-3.1 -2,-0.2 44,-1.3 -0.989 29.7-160.4-154.1 145.4 -14.3 17.8 15.4 40 47 A V E -EF 57 81B 0 17,-2.7 17,-1.8 -2,-0.3 2,-0.5 -0.771 17.6-124.2-125.2 168.0 -14.4 15.0 18.1 41 48 A A E -EF 56 80B 11 39,-2.7 39,-2.1 -2,-0.3 2,-0.5 -0.966 16.1-158.9-114.3 116.7 -12.5 13.6 21.0 42 49 A V E +EF 55 79B 21 13,-2.5 13,-1.7 -2,-0.5 12,-1.5 -0.851 32.0 160.8 -89.1 127.4 -11.5 9.9 21.0 43 50 A L E -EF 53 78B 6 35,-2.1 35,-2.0 -2,-0.5 2,-0.2 -0.985 32.6-146.0-154.9 157.0 -10.8 8.9 24.5 44 51 A I E -E 52 0B 19 8,-2.4 8,-2.8 -2,-0.3 2,-0.3 -0.731 19.8-134.6-121.1 166.2 -10.4 6.1 27.0 45 52 A K E -E 51 0B 69 -2,-0.2 6,-0.2 6,-0.2 2,-0.2 -0.834 11.0-116.9-129.0 162.1 -11.2 5.8 30.7 46 53 A D > - 0 0 11 4,-2.1 3,-2.6 -2,-0.3 281,-0.0 -0.588 35.3-109.8 -91.6 153.4 -9.7 4.5 34.0 47 54 A E T 3 S+ 0 0 150 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.557 127.6 45.3 -57.0 -5.3 -11.2 1.7 36.1 48 55 A E T 3 S- 0 0 159 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.296 129.2 -95.2-120.8 3.5 -11.9 4.6 38.4 49 56 A G S < S+ 0 0 44 -3,-2.6 -2,-0.1 1,-0.3 0, 0.0 0.161 72.6 141.2 110.9 -20.3 -13.3 7.1 35.8 50 57 A K - 0 0 108 -5,-0.1 -4,-2.1 1,-0.1 2,-0.4 -0.201 42.8-132.6 -56.8 147.4 -10.3 9.2 34.8 51 58 A E E -E 45 0B 49 -6,-0.2 2,-0.4 -8,-0.0 -6,-0.2 -0.824 18.0-167.4-112.9 144.6 -10.1 10.1 31.1 52 59 A M E -E 44 0B 0 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.8 -0.993 18.5-139.6-122.8 130.7 -7.3 9.9 28.4 53 60 A I E -E 43 0B 7 114,-2.7 -10,-0.3 -2,-0.4 3,-0.1 -0.836 18.3-178.0 -87.2 109.8 -7.6 11.6 25.0 54 61 A L E - 0 0 13 -12,-1.5 2,-0.3 -2,-0.8 -11,-0.2 0.897 64.5 -28.0 -69.6 -43.0 -6.1 9.2 22.5 55 62 A S E -E 42 0B 37 -13,-1.7 -13,-2.5 2,-0.0 2,-0.3 -0.982 51.5-122.4-163.1 160.5 -6.7 11.6 19.6 56 63 A Y E -E 41 0B 44 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.803 28.3-157.0-102.7 159.2 -8.8 14.4 18.2 57 64 A L E -E 40 0B 10 -17,-1.8 -17,-2.7 -2,-0.3 2,-0.2 -0.992 12.0-175.7-140.4 149.1 -10.5 13.9 14.8 58 65 A N E > -E 39 0B 74 -2,-0.3 3,-2.1 -19,-0.2 -23,-0.3 -0.554 40.7 -37.4-134.1-176.4 -11.6 16.4 12.4 59 66 A Q T 3 S+ 0 0 127 -21,-0.5 -23,-0.2 1,-0.3 -1,-0.2 -0.319 125.6 24.6 -49.7 122.6 -13.4 17.2 9.1 60 67 A G T 3 S+ 0 0 15 -25,-3.6 2,-0.4 1,-0.3 -1,-0.3 0.499 93.4 124.1 97.9 4.9 -12.5 14.4 6.7 61 68 A D < - 0 0 36 -3,-2.1 -26,-2.2 -26,-0.3 -1,-0.3 -0.840 56.0-133.2-102.3 134.4 -11.7 11.7 9.3 62 69 A F E -C 34 0A 1 -2,-0.4 2,-0.3 -28,-0.2 -28,-0.3 -0.569 23.8-163.5 -76.0 144.4 -13.3 8.3 9.4 63 70 A I E +C 33 0A 5 -30,-2.1 -30,-2.7 -2,-0.2 16,-0.0 -0.933 61.5 22.9-124.6 156.0 -14.5 7.2 12.8 64 71 A G S S+ 0 0 12 -2,-0.3 3,-0.3 -32,-0.2 -33,-0.3 0.769 73.0 132.5 70.2 31.2 -15.5 3.7 14.0 65 72 A E > + 0 0 8 1,-0.2 3,-1.2 -3,-0.1 4,-0.4 0.440 44.2 87.4 -94.4 -3.2 -13.5 1.8 11.5 66 73 A L T 3 S+ 0 0 38 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.818 88.8 48.4 -72.1 -30.6 -11.8 -0.7 13.8 67 74 A G T 3 S+ 0 0 5 -3,-0.3 3,-0.4 1,-0.2 6,-0.3 0.269 89.5 89.9 -89.5 13.0 -14.6 -3.2 13.8 68 75 A L S < S+ 0 0 0 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.894 80.3 53.0 -72.6 -40.6 -14.9 -3.2 10.0 69 76 A F S S+ 0 0 25 -3,-0.4 2,-0.3 -4,-0.4 -1,-0.2 0.429 119.2 18.8 -89.1 0.8 -12.4 -6.0 9.2 70 77 A E S S- 0 0 84 -3,-0.4 2,-0.3 -4,-0.1 3,-0.2 -0.915 78.1-112.4-152.3 179.5 -14.0 -8.6 11.4 71 78 A E S S+ 0 0 158 -2,-0.3 3,-0.1 1,-0.2 -41,-0.1 -0.741 87.2 39.7-121.8 168.3 -17.2 -9.3 13.2 72 79 A G S S+ 0 0 71 -2,-0.3 -1,-0.2 1,-0.2 -42,-0.1 0.516 82.7 152.4 71.7 3.4 -18.4 -9.4 16.8 73 80 A Q - 0 0 55 -6,-0.3 -44,-1.9 -44,-0.2 2,-0.3 -0.255 33.6-149.4 -64.1 151.3 -16.2 -6.4 17.2 74 81 A E B -G 28 0C 110 -46,-0.2 -46,-0.2 -3,-0.1 -47,-0.1 -0.931 32.0 -87.6-122.6 150.8 -17.0 -3.9 19.9 75 82 A R - 0 0 17 -48,-3.3 -49,-3.1 -2,-0.3 -48,-0.1 -0.361 34.2-155.9 -59.1 126.4 -16.3 -0.2 20.0 76 83 A S + 0 0 43 -51,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.596 67.2 11.6 -84.8 -13.7 -12.8 0.3 21.4 77 84 A A S S- 0 0 8 -53,-0.1 2,-0.3 -33,-0.1 -33,-0.2 -0.979 76.7 -99.6-155.4 164.0 -13.2 3.9 22.7 78 85 A W E - F 0 43B 42 -35,-2.0 -35,-2.1 -2,-0.3 2,-0.4 -0.658 31.2-159.9 -82.5 145.6 -15.8 6.7 23.3 79 86 A V E -DF 23 42B 7 -56,-2.3 -57,-3.4 -2,-0.3 -56,-1.4 -0.945 11.3-175.2-132.6 115.5 -16.1 9.4 20.7 80 87 A R E -DF 21 41B 63 -39,-2.1 -39,-2.7 -2,-0.4 2,-0.3 -0.861 32.1-109.7-116.0 139.9 -17.6 12.8 21.7 81 88 A A E - F 0 40B 5 -61,-3.0 -62,-2.0 -2,-0.4 -41,-0.3 -0.494 24.9-172.3 -61.4 123.5 -18.4 15.8 19.7 82 89 A K S S- 0 0 72 -43,-3.1 2,-0.2 -2,-0.3 -42,-0.2 0.701 77.7 -0.6 -90.6 -22.1 -15.9 18.5 20.7 83 90 A T S S- 0 0 58 -44,-1.3 -63,-0.2 -66,-0.1 -64,-0.1 -0.803 112.0 -48.7-141.6-175.6 -18.0 21.0 18.6 84 91 A A - 0 0 68 -2,-0.2 2,-0.4 -66,-0.1 -45,-0.4 -0.328 67.2-156.6 -53.5 145.7 -21.1 20.8 16.5 85 92 A C E -A 16 0A 3 -69,-2.2 -69,-2.1 -47,-0.2 2,-0.5 -0.990 29.7-163.3-137.5 141.2 -20.8 17.9 14.0 86 93 A E E -AB 15 37A 70 -49,-2.8 -50,-2.4 -2,-0.4 -49,-2.0 -0.984 27.5-173.8-113.0 114.9 -22.1 16.7 10.7 87 94 A V E -AB 14 35A 0 -73,-3.5 -73,-2.2 -2,-0.5 -52,-0.2 -0.942 18.3-145.2-116.9 124.6 -21.3 13.0 10.5 88 95 A A E - B 0 34A 0 -54,-3.9 -54,-1.8 -2,-0.5 2,-0.3 -0.535 25.3-164.0 -74.4 152.9 -21.9 10.7 7.5 89 96 A E E + B 0 33A 31 -77,-0.3 -77,-2.5 -56,-0.2 2,-0.3 -0.998 16.8 161.2-147.7 145.4 -22.9 7.2 8.5 90 97 A I E - B 0 32A 4 -58,-1.6 -58,-3.8 -2,-0.3 -79,-0.1 -0.980 37.8-104.0-163.0 148.3 -23.0 3.8 6.8 91 98 A S E > - B 0 31A 47 -2,-0.3 4,-2.0 -60,-0.3 -60,-0.3 -0.405 27.2-127.0 -72.9 152.3 -23.2 0.1 7.6 92 99 A Y H > S+ 0 0 6 -62,-0.9 4,-3.3 2,-0.2 5,-0.2 0.929 112.3 60.8 -60.7 -41.8 -20.1 -2.0 7.2 93 100 A K H > S+ 0 0 128 -63,-0.3 4,-1.1 1,-0.3 -1,-0.2 0.915 109.3 39.2 -47.6 -55.1 -22.2 -4.3 5.0 94 101 A K H > S+ 0 0 72 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.822 114.8 55.0 -67.9 -33.4 -22.9 -1.4 2.5 95 102 A F H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.864 100.1 58.6 -70.3 -36.0 -19.3 -0.2 2.9 96 103 A R H X S+ 0 0 69 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.861 105.2 51.3 -63.2 -31.9 -17.9 -3.6 1.9 97 104 A Q H X S+ 0 0 98 -4,-1.1 4,-2.2 -5,-0.2 -1,-0.2 0.884 106.8 53.4 -69.4 -38.0 -19.7 -3.4 -1.4 98 105 A L H X S+ 0 0 7 -4,-1.3 4,-3.0 1,-0.2 -2,-0.2 0.927 104.5 55.9 -60.4 -43.1 -18.3 0.1 -2.0 99 106 A I H < S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.928 108.2 47.8 -55.7 -47.0 -14.8 -1.3 -1.5 100 107 A Q H < S+ 0 0 130 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.912 111.9 49.2 -60.0 -46.1 -15.5 -3.9 -4.2 101 108 A V H < S- 0 0 108 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.919 137.5 -0.8 -61.2 -45.3 -16.8 -1.3 -6.7 102 109 A N >< - 0 0 41 -4,-3.0 3,-1.8 -5,-0.2 4,-0.3 -0.730 59.3-165.9-151.3 101.3 -13.8 1.0 -6.0 103 110 A P T >> S+ 0 0 8 0, 0.0 4,-2.2 0, 0.0 3,-1.3 0.583 77.8 86.1 -60.9 -12.1 -11.0 0.1 -3.6 104 111 A D H 3> S+ 0 0 65 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.806 83.2 59.9 -61.9 -24.5 -9.7 3.6 -3.6 105 112 A I H <> S+ 0 0 0 -3,-1.8 4,-1.3 2,-0.2 -1,-0.3 0.773 104.9 48.7 -72.9 -24.7 -12.2 4.3 -0.9 106 113 A L H <> S+ 0 0 0 -3,-1.3 4,-4.0 -4,-0.3 5,-0.3 0.905 106.2 55.8 -78.6 -43.8 -10.5 1.7 1.3 107 114 A M H X S+ 0 0 32 -4,-2.2 4,-3.3 1,-0.2 5,-0.2 0.936 106.4 51.7 -48.2 -48.6 -7.0 3.1 0.5 108 115 A R H X S+ 0 0 81 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.920 114.9 42.2 -57.5 -44.0 -8.3 6.5 1.9 109 116 A L H >X S+ 0 0 0 -4,-1.3 4,-1.7 1,-0.2 3,-0.8 0.959 115.1 49.2 -64.0 -52.2 -9.5 4.7 5.0 110 117 A S H 3X S+ 0 0 0 -4,-4.0 4,-2.6 1,-0.3 -2,-0.2 0.856 104.5 60.2 -57.6 -39.0 -6.4 2.6 5.3 111 118 A A H 3X S+ 0 0 21 -4,-3.3 4,-1.8 -5,-0.3 -1,-0.3 0.865 106.0 47.8 -57.9 -38.3 -4.2 5.7 4.9 112 119 A Q H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 3,-0.7 0.980 110.9 47.1 -52.7 -57.3 -1.7 3.9 9.1 115 122 A R H 3X S+ 0 0 106 -4,-1.8 4,-2.5 1,-0.3 -2,-0.2 0.873 110.4 51.1 -47.8 -51.5 -1.3 7.5 10.4 116 123 A R H 3X S+ 0 0 31 -4,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.804 110.3 50.4 -62.2 -31.2 -3.2 6.9 13.7 117 124 A L H - 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0 0 41 -4,-2.9 3,-1.2 -5,-0.1 -1,-0.3 -0.861 59.0-171.9-144.0 104.1 -8.5 -8.1 -5.4 305 110 B P T >> S+ 0 0 4 0, 0.0 4,-1.8 0, 0.0 3,-1.2 0.475 73.2 89.6 -78.0 1.6 -8.8 -5.6 -2.5 306 111 B D H 3> S+ 0 0 56 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.814 79.4 63.0 -63.3 -28.3 -9.3 -8.5 -0.0 307 112 B I H <> S+ 0 0 0 -3,-1.2 4,-1.2 1,-0.2 -1,-0.3 0.685 105.7 45.6 -69.0 -18.3 -5.5 -8.5 0.3 308 113 B L H <> S+ 0 0 0 -3,-1.2 4,-3.9 2,-0.2 5,-0.3 0.796 105.7 58.4 -90.7 -37.2 -5.8 -5.0 1.7 309 114 B M H X S+ 0 0 30 -4,-1.8 4,-3.3 2,-0.2 -2,-0.2 0.939 108.7 47.5 -52.2 -49.1 -8.7 -5.9 4.0 310 115 B R H X S+ 0 0 66 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.959 113.3 46.8 -57.6 -55.0 -6.4 -8.4 5.5 311 116 B L H >X S+ 0 0 0 -4,-1.2 4,-1.9 1,-0.2 3,-0.7 0.970 116.8 43.8 -48.5 -60.1 -3.6 -5.9 5.8 312 117 B S H 3X S+ 0 0 0 -4,-3.9 4,-3.4 1,-0.3 -2,-0.2 0.855 105.1 62.3 -60.7 -36.6 -5.9 -3.2 7.3 313 118 B A H 3X S+ 0 0 11 -4,-3.3 4,-1.9 -5,-0.3 -1,-0.3 0.930 107.0 46.4 -52.1 -43.2 -7.5 -5.8 9.6 314 119 B Q H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 3,-0.9 0.958 113.3 45.6 -55.9 -54.0 -4.0 3.6 28.7 328 133 B N H 3X S+ 0 0 29 -4,-3.1 4,-2.8 1,-0.2 3,-0.5 0.956 112.1 52.2 -53.1 -54.9 -1.8 1.4 30.9 329 134 B L H 3< S+ 0 0 21 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.682 118.4 37.0 -56.7 -21.4 1.2 3.9 30.6 330 135 B A H << S+ 0 0 18 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.687 125.5 34.7-106.0 -20.7 -1.0 6.8 31.7 331 136 B F H < S+ 0 0 33 -4,-2.2 2,-0.4 -3,-0.5 -2,-0.2 0.654 105.9 67.6-107.5 -23.4 -3.2 5.1 34.3 332 137 B L < - 0 0 38 -4,-2.8 -1,-0.0 -5,-0.3 2,-0.0 -0.808 68.3-131.0-112.6 142.4 -1.0 2.5 36.0 333 138 B D > - 0 0 112 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.244 49.2 -91.8 -68.8 173.2 2.1 2.6 38.3 334 139 B V H > S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.790 127.6 56.2 -65.1 -24.8 4.9 0.3 37.1 335 140 B T H > S+ 0 0 44 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.960 110.2 43.2 -69.7 -49.3 3.6 -2.6 39.3 336 141 B G H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.859 109.5 57.7 -63.4 -39.8 0.2 -2.5 37.6 337 142 B R H X S+ 0 0 45 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.924 109.6 45.4 -53.0 -46.5 1.7 -2.1 34.2 338 143 B I H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.836 110.6 53.4 -69.0 -32.9 3.6 -5.4 34.8 339 144 B A H X S+ 0 0 34 -4,-1.8 4,-2.6 1,-0.2 3,-0.3 0.929 110.7 46.6 -66.0 -43.4 0.5 -7.1 36.1 340 145 B Q H X S+ 0 0 52 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.780 108.4 56.4 -71.7 -28.8 -1.4 -6.2 33.0 341 146 B T H X S+ 0 0 13 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.776 109.8 45.9 -72.8 -26.3 1.5 -7.3 30.8 342 147 B L H X S+ 0 0 2 -4,-1.2 4,-1.5 -3,-0.3 -2,-0.2 0.914 111.6 49.8 -79.7 -45.6 1.3 -10.7 32.5 343 148 B L H X S+ 0 0 79 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.804 111.8 53.3 -58.9 -27.6 -2.5 -10.9 32.1 344 149 B N H X S+ 0 0 36 -4,-1.3 4,-0.7 2,-0.2 3,-0.3 0.918 106.0 47.2 -77.0 -45.2 -1.9 -9.9 28.5 345 150 B L H < S+ 0 0 21 -4,-1.6 -1,-0.2 1,-0.2 3,-0.2 0.778 111.3 56.5 -63.9 -24.4 0.6 -12.7 27.5 346 151 B A H < S+ 0 0 18 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.816 97.5 59.0 -77.5 -33.2 -1.8 -15.1 29.3 347 152 B K H < S+ 0 0 139 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.777 94.9 100.3 -60.4 -25.5 -4.8 -14.1 27.1 348 153 B Q S >< S- 0 0 79 -4,-0.7 3,-1.0 -3,-0.2 -3,-0.0 0.004 83.7-116.6 -70.8 164.9 -2.6 -15.2 24.2 349 154 B P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.866 110.0 57.5 -65.8 -40.1 -2.6 -18.5 22.1 350 155 B D T 3 S+ 0 0 116 -5,-0.1 2,-1.0 1,-0.1 -2,-0.1 0.313 80.6 111.5 -77.4 10.5 0.9 -19.7 23.1 351 156 B A < - 0 0 12 -3,-1.0 9,-0.2 -5,-0.1 8,-0.1 -0.761 63.1-143.7 -95.9 99.6 -0.1 -19.6 26.8 352 157 B M E -Q 359 0H 118 -2,-1.0 7,-3.2 7,-0.7 -2,-0.1 -0.269 18.8-110.7 -62.6 139.5 -0.3 -23.1 28.1 353 158 B T E -Q 358 0H 119 5,-0.2 5,-0.2 2,-0.0 -1,-0.1 -0.340 37.0-176.9 -70.3 152.7 -3.0 -24.1 30.7 354 159 B H - 0 0 49 3,-1.6 -1,-0.0 -2,-0.0 45,-0.0 -0.958 39.7-112.8-147.1 154.4 -1.9 -24.8 34.2 355 160 B P S S+ 0 0 121 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.792 117.7 40.5 -65.1 -22.8 -3.8 -26.0 37.3 356 161 B D S S- 0 0 81 1,-0.1 46,-0.7 45,-0.1 2,-0.1 0.947 131.0 -55.8 -84.3 -66.9 -3.1 -22.6 39.0 357 162 B G E S- R 0 401H 13 44,-0.2 -3,-1.6 45,-0.1 2,-0.5 -0.259 85.5 -35.4-142.4-124.8 -3.6 -20.2 36.1 358 163 B M E -QR 353 400H 60 42,-2.1 42,-2.1 -5,-0.2 2,-0.4 -0.959 54.1-137.9-116.6 123.9 -2.2 -19.7 32.6 359 164 B Q E +QR 352 399H 50 -7,-3.2 -7,-0.7 -2,-0.5 2,-0.2 -0.682 26.3 176.6 -84.3 128.7 1.5 -20.6 32.1 360 165 B I E - R 0 398H 9 38,-2.7 38,-0.6 -2,-0.4 2,-0.4 -0.724 21.8-137.9-119.2 174.1 3.5 -18.2 29.9 361 166 B K + 0 0 148 -2,-0.2 2,-0.3 36,-0.2 36,-0.2 -0.957 40.8 131.4-142.0 119.1 7.2 -18.2 29.0 362 167 B I - 0 0 6 -2,-0.4 2,-0.1 4,-0.0 -2,-0.1 -0.958 47.1-117.2-169.4 136.7 9.1 -14.9 29.0 363 168 B T > - 0 0 25 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.394 27.3-120.1 -78.6 161.7 12.4 -13.4 30.3 364 169 B R H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.863 114.2 60.5 -66.1 -35.8 12.5 -10.5 32.8 365 170 B Q H > S+ 0 0 105 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.944 106.8 45.0 -54.7 -50.2 14.5 -8.6 30.1 366 171 B E H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -111,-0.2 0.955 108.8 54.4 -63.9 -49.5 11.5 -8.8 27.7 367 172 B I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 5,-0.3 0.878 109.9 50.9 -50.3 -37.8 8.9 -8.0 30.3 368 173 B G H X>S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 5,-1.6 0.968 107.2 51.0 -62.3 -51.5 11.0 -4.9 30.9 369 174 B Q H <5S+ 0 0 60 -4,-2.4 -114,-2.0 1,-0.2 -2,-0.2 0.801 113.5 46.8 -58.2 -31.3 11.2 -4.0 27.2 370 175 B I H <5S+ 0 0 12 -4,-2.3 -1,-0.2 -116,-0.2 -2,-0.2 0.955 120.2 33.1 -76.2 -52.9 7.3 -4.2 27.0 371 176 B V H <5S- 0 0 5 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.748 114.8-109.4 -78.6 -25.8 6.2 -2.3 30.1 372 177 B G T <5S+ 0 0 27 -4,-2.9 2,-0.3 -5,-0.3 -3,-0.2 0.874 72.4 96.3 100.6 48.6 9.1 0.2 29.9 373 178 B C S - 0 0 52 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.188 35.7-134.6 -47.2 137.0 14.8 -2.1 34.2 375 180 B R H > S+ 0 0 133 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.886 110.7 58.7 -64.8 -38.1 14.9 -5.9 34.2 376 181 B E H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.936 105.0 50.2 -52.7 -46.2 16.2 -5.6 37.7 377 182 B T H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.882 107.0 53.5 -60.8 -41.1 13.0 -3.8 38.5 378 183 B V H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.941 106.8 54.2 -57.4 -46.4 11.0 -6.6 36.9 379 184 B G H X S+ 0 0 20 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.942 110.7 43.0 -52.2 -52.8 12.7 -9.1 39.1 380 185 B R H X S+ 0 0 155 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.907 116.2 48.4 -64.4 -42.3 11.9 -7.4 42.3 381 186 B I H X S+ 0 0 13 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.851 109.1 52.5 -68.3 -35.8 8.3 -6.7 41.3 382 187 B L H X S+ 0 0 1 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.932 108.2 52.0 -62.6 -46.7 7.7 -10.3 40.1 383 188 B K H X S+ 0 0 110 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.866 110.1 48.9 -55.0 -43.0 8.9 -11.6 43.5 384 189 B M H X S+ 0 0 71 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.886 107.0 54.8 -65.4 -41.2 6.5 -9.3 45.2 385 190 B L H <>S+ 0 0 8 -4,-2.0 5,-1.3 2,-0.2 6,-0.5 0.837 109.5 49.3 -61.9 -33.1 3.6 -10.4 42.9 386 191 B E H ><5S+ 0 0 64 -4,-1.8 3,-3.7 1,-0.2 -2,-0.2 0.967 104.1 55.5 -69.1 -54.5 4.4 -14.0 44.0 387 192 B D H 3<5S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.646 107.0 55.5 -51.6 -13.9 4.4 -13.2 47.8 388 193 B Q T 3<5S- 0 0 102 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.181 117.9-116.5-104.3 17.1 1.0 -11.8 47.1 389 194 B N T < 5S+ 0 0 119 -3,-3.7 -3,-0.2 2,-0.1 -2,-0.1 0.929 83.8 115.4 44.6 60.5 -0.2 -15.1 45.6 390 195 B L S