==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 13-NOV-07 2ZCW . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, FNR/CRP FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Y.AGARI,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11466.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 70.6 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 . 47 24.2 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 . 1 0.5 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 . 9 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 1 0 0 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 1 2 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 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 5 A E 0 0 183 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.4 15.1 9.2 19.9 2 6 A T - 0 0 76 75,-0.2 2,-0.3 2,-0.0 75,-0.2 -0.986 360.0-163.7-139.2 148.2 16.9 12.4 21.1 3 7 A V E -A 76 0A 51 73,-2.6 73,-3.9 -2,-0.3 2,-0.3 -0.973 8.2-150.9-132.4 146.0 20.5 13.2 22.2 4 8 A S E -A 75 0A 84 -2,-0.3 2,-0.3 71,-0.2 71,-0.2 -0.870 8.6-173.1-120.0 152.3 21.9 16.2 24.1 5 9 A F E -A 74 0A 46 69,-2.7 69,-3.1 -2,-0.3 2,-0.2 -0.987 21.6-125.7-139.9 145.9 25.2 18.0 24.1 6 10 A K > - 0 0 140 -2,-0.3 3,-2.7 67,-0.2 64,-0.3 -0.637 47.8 -77.4 -92.4 152.3 26.7 20.7 26.3 7 11 A A T 3 S+ 0 0 56 1,-0.3 64,-0.2 -2,-0.2 66,-0.2 -0.197 121.1 22.5 -48.3 126.1 28.0 24.0 25.0 8 12 A G T 3 S+ 0 0 42 62,-3.7 -1,-0.3 1,-0.3 2,-0.2 0.210 88.8 134.1 100.0 -15.2 31.5 23.3 23.5 9 13 A D < - 0 0 69 -3,-2.7 61,-2.2 61,-0.1 2,-0.4 -0.492 58.2-121.6 -73.8 136.6 31.0 19.6 22.9 10 14 A V E +D 69 0B 55 59,-0.2 59,-0.2 -2,-0.2 3,-0.1 -0.633 29.8 177.8 -77.9 127.3 32.2 18.2 19.6 11 15 A I E + 0 0 13 57,-3.7 2,-0.3 -2,-0.4 58,-0.2 0.823 66.6 12.6 -97.9 -41.2 29.3 16.5 17.8 12 16 A L E -D 68 0B 12 56,-1.4 56,-2.2 9,-0.0 -1,-0.3 -0.990 64.0-148.1-140.1 147.1 31.0 15.5 14.5 13 17 A Y - 0 0 149 -2,-0.3 53,-0.2 54,-0.2 54,-0.1 -0.832 32.3 -99.0-112.6 151.4 34.6 15.3 13.3 14 18 A P S S+ 0 0 55 0, 0.0 2,-0.2 0, 0.0 51,-0.2 -0.289 76.9 68.3 -65.9 154.7 35.9 15.9 9.7 15 19 A G B S-G 64 0C 23 49,-3.1 49,-2.9 51,-0.0 51,-0.1 -0.769 93.5 -28.4 130.3-176.7 36.6 12.8 7.6 16 20 A V S S- 0 0 118 -2,-0.2 47,-0.1 47,-0.2 46,-0.1 -0.635 76.3-108.2 -74.9 123.6 34.8 9.9 5.9 17 21 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 46,-0.0 -0.195 31.4-116.6 -53.9 139.4 31.6 9.2 7.9 18 22 A G > - 0 0 29 1,-0.1 3,-1.7 4,-0.1 43,-0.1 -0.315 31.3-102.4 -71.0 162.2 31.7 6.0 9.9 19 23 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 42,-0.0 0.676 122.7 39.5 -61.7 -17.9 29.1 3.3 9.0 20 24 A R T 3 S+ 0 0 189 2,-0.1 2,-0.1 61,-0.0 38,-0.0 0.217 84.6 129.5-116.0 14.1 26.9 4.2 11.9 21 25 A D < - 0 0 55 -3,-1.7 2,-0.3 37,-0.1 -9,-0.0 -0.421 43.4-154.2 -67.5 143.2 27.3 8.0 11.7 22 26 A R - 0 0 60 -2,-0.1 2,-0.2 37,-0.0 35,-0.1 -0.852 13.1-127.1-122.5 156.8 24.0 9.9 11.7 23 27 A A - 0 0 1 -2,-0.3 56,-2.5 56,-0.3 2,-0.3 -0.559 33.4-142.3 -89.7 163.0 22.7 13.2 10.4 24 28 A Y E -BC 54 78A 33 30,-2.9 30,-1.9 54,-0.2 2,-0.4 -0.956 15.9-151.7-134.3 152.8 21.0 15.4 12.9 25 29 A R E -BC 53 77A 82 52,-1.9 52,-2.2 -2,-0.3 2,-0.4 -0.976 31.6-123.8-116.8 131.2 18.1 17.9 13.2 26 30 A V E + C 0 76A 1 26,-2.9 25,-3.5 -2,-0.4 50,-0.2 -0.621 30.9 173.6 -79.3 130.2 18.4 20.6 15.8 27 31 A L E S+ 0 0 47 48,-2.8 2,-0.3 1,-0.4 49,-0.2 0.767 70.9 0.3-101.3 -37.9 15.6 20.7 18.4 28 32 A E E S+ C 0 75A 105 47,-1.6 47,-1.9 21,-0.1 -1,-0.4 -0.993 105.9 20.2-152.0 147.0 17.1 23.4 20.7 29 33 A G S S- 0 0 14 -2,-0.3 2,-0.4 45,-0.2 45,-0.2 -0.373 81.6 -66.5 93.6-173.1 20.3 25.4 20.8 30 34 A L - 0 0 0 43,-0.2 41,-2.0 19,-0.1 42,-1.3 -0.980 34.3-162.2-127.0 132.5 22.8 26.5 18.2 31 35 A V E -EF 48 70B 0 17,-2.3 17,-3.2 -2,-0.4 2,-0.5 -0.920 8.8-152.8-112.3 137.0 25.3 24.3 16.3 32 36 A R E -EF 47 69B 22 37,-3.2 37,-2.9 -2,-0.4 2,-0.5 -0.938 0.6-157.8-113.2 127.6 28.3 25.7 14.6 33 37 A L E +EF 46 68B 4 13,-3.1 12,-3.1 -2,-0.5 13,-1.6 -0.903 26.7 170.1-101.6 126.6 29.9 24.0 11.6 34 38 A E E -EF 44 67B 24 33,-2.3 33,-2.8 -2,-0.5 2,-0.4 -0.983 35.9-133.5-143.5 151.4 33.5 25.0 11.1 35 39 A A E -E 43 0B 33 8,-2.6 8,-2.1 -2,-0.3 2,-0.4 -0.837 27.1-159.6 -97.5 136.6 36.6 24.3 9.2 36 40 A V E -E 42 0B 59 -2,-0.4 6,-0.2 6,-0.2 2,-0.0 -0.978 4.0-146.3-122.6 130.9 39.8 24.1 11.3 37 41 A D > - 0 0 66 4,-2.6 3,-1.9 -2,-0.4 6,-0.0 -0.194 37.7 -87.6 -86.2-178.2 43.3 24.4 10.0 38 42 A E T 3 S+ 0 0 186 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.611 126.0 56.3 -64.1 -15.7 46.6 22.8 11.2 39 43 A E T 3 S- 0 0 160 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.279 119.1-107.6-100.0 8.3 47.1 25.6 13.7 40 44 A G S < S+ 0 0 56 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.544 75.2 133.2 80.9 7.3 43.8 25.0 15.4 41 45 A N - 0 0 96 1,-0.0 -4,-2.6 108,-0.0 -1,-0.3 -0.682 42.6-138.6 -94.7 148.5 42.0 28.1 14.1 42 46 A A E -E 36 0B 32 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.647 18.4-160.2-112.0 162.3 38.6 28.1 12.6 43 47 A L E -E 35 0B 69 -8,-2.1 -8,-2.6 -2,-0.2 2,-0.3 -0.987 32.2-128.7-132.7 116.9 36.5 29.5 9.8 44 48 A T E +E 34 0B 9 105,-2.6 -10,-0.3 -2,-0.4 3,-0.1 -0.566 27.3 178.7 -72.7 128.2 32.8 29.2 10.5 45 49 A L E - 0 0 72 -12,-3.1 2,-0.3 1,-0.4 -11,-0.2 0.783 62.7 -11.6 -98.5 -35.1 31.0 27.6 7.6 46 50 A R E -E 33 0B 54 -13,-1.6 -13,-3.1 2,-0.0 2,-0.5 -0.966 51.1-138.3-166.7 146.7 27.4 27.6 8.8 47 51 A L E -E 32 0B 26 -2,-0.3 2,-0.6 -15,-0.2 -15,-0.2 -0.939 20.9-152.2-109.6 133.2 25.3 28.1 11.9 48 52 A V E -E 31 0B 2 -17,-3.2 -17,-2.3 -2,-0.5 3,-0.1 -0.932 13.1-169.9-111.6 117.6 22.4 25.6 12.5 49 53 A R > - 0 0 126 -2,-0.6 3,-2.7 -19,-0.2 -23,-0.3 -0.448 45.3 -57.5 -97.0 172.4 19.4 26.9 14.4 50 54 A P T 3 S+ 0 0 75 0, 0.0 -23,-0.2 0, 0.0 -1,-0.2 -0.232 129.2 26.5 -51.9 134.2 16.5 24.8 15.8 51 55 A G T 3 S+ 0 0 14 -25,-3.5 -24,-0.1 1,-0.4 43,-0.1 0.145 100.4 117.0 96.9 -18.2 14.8 23.0 12.9 52 56 A G < - 0 0 8 -3,-2.7 -26,-2.9 -27,-0.1 -1,-0.4 -0.287 54.3-136.6 -80.9 167.8 18.0 22.9 10.9 53 57 A F E +B 25 0A 2 -28,-0.2 2,-0.3 38,-0.1 -28,-0.2 -0.890 23.1 164.9-125.4 153.8 20.0 19.9 9.8 54 58 A F E +B 24 0A 0 -30,-1.9 -30,-2.9 -2,-0.3 14,-0.0 -0.966 56.5 50.4-158.1 165.6 23.7 19.0 9.6 55 59 A G > + 0 0 0 -2,-0.3 3,-2.1 -32,-0.2 4,-0.3 0.607 62.7 143.3 76.5 11.9 25.8 15.9 9.2 56 60 A E T >> + 0 0 33 1,-0.3 3,-2.0 2,-0.2 4,-0.5 0.729 53.5 77.6 -56.2 -25.8 23.7 15.1 6.1 57 61 A E H >>>S+ 0 0 6 1,-0.3 5,-2.0 2,-0.2 3,-0.9 0.758 82.0 68.0 -58.4 -23.0 26.8 13.7 4.3 58 62 A A H <45S+ 0 0 25 -3,-2.1 -1,-0.3 1,-0.2 3,-0.2 0.747 93.4 57.9 -68.0 -23.6 26.5 10.6 6.4 59 63 A L H <45S+ 0 0 40 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.703 116.9 33.2 -77.5 -19.4 23.3 9.8 4.5 60 64 A F H <<5S- 0 0 108 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.282 107.0-111.4-121.8 8.3 25.2 9.8 1.2 61 65 A G T <5 + 0 0 62 -4,-0.6 2,-0.3 1,-0.2 -3,-0.2 0.733 66.8 149.8 67.4 21.2 28.7 8.5 2.0 62 66 A Q < - 0 0 104 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.632 53.2-101.0 -88.8 145.2 30.2 12.0 1.3 63 67 A E - 0 0 128 -2,-0.3 2,-0.6 -47,-0.1 -47,-0.2 -0.348 29.0-131.3 -64.8 141.5 33.3 13.2 3.1 64 68 A R B -G 15 0C 8 -49,-2.9 -49,-3.1 -51,-0.1 -1,-0.1 -0.852 21.9-176.5 -94.5 118.8 32.7 15.6 6.1 65 69 A I + 0 0 117 -2,-0.6 2,-0.3 -51,-0.2 -1,-0.1 0.214 59.8 59.0-101.8 18.0 34.9 18.6 5.7 66 70 A Y S S- 0 0 17 -53,-0.2 2,-0.4 -51,-0.1 -31,-0.2 -0.915 73.6-120.3-142.6 164.9 33.9 20.2 8.9 67 71 A F E - F 0 34B 60 -33,-2.8 -33,-2.3 -2,-0.3 2,-0.6 -0.812 24.3-145.3 -98.7 145.2 33.6 19.9 12.7 68 72 A A E -DF 12 33B 0 -56,-2.2 -57,-3.7 -2,-0.4 -56,-1.4 -0.970 26.1-178.1-113.8 112.2 30.1 20.2 14.2 69 73 A E E -DF 10 32B 49 -37,-2.9 -37,-3.2 -2,-0.6 2,-0.9 -0.886 32.6-117.4-115.8 145.4 30.4 21.9 17.5 70 74 A A E - F 0 31B 1 -61,-2.2 -62,-3.7 -2,-0.3 -39,-0.2 -0.706 24.8-173.4 -80.7 108.2 27.7 22.8 20.1 71 75 A A S S+ 0 0 16 -41,-2.0 2,-0.3 -2,-0.9 -40,-0.2 0.823 77.6 3.3 -70.3 -32.1 27.7 26.6 20.3 72 76 A T S S- 0 0 23 -42,-1.3 -64,-0.3 -3,-0.1 -63,-0.1 -0.773 112.2 -60.6-137.7 178.9 25.3 26.4 23.2 73 77 A D - 0 0 96 -2,-0.3 2,-0.3 -66,-0.2 -67,-0.2 -0.489 68.8-163.8 -63.9 138.1 23.8 23.5 25.0 74 78 A V E -A 5 0A 8 -69,-3.1 -69,-2.7 -45,-0.2 2,-0.5 -0.938 27.2-155.6-132.2 154.1 21.9 21.6 22.3 75 79 A R E -AC 4 28A 80 -47,-1.9 -48,-2.8 -2,-0.3 -47,-1.6 -0.996 27.1-171.9-124.8 120.9 19.3 18.9 22.0 76 80 A L E -AC 3 26A 0 -73,-3.9 -73,-2.6 -2,-0.5 -50,-0.2 -0.740 22.1-143.2-115.5 163.3 19.4 17.0 18.8 77 81 A E E - C 0 25A 68 -52,-2.2 -52,-1.9 -2,-0.3 -75,-0.2 -0.966 22.7-137.1-125.5 110.1 17.3 14.4 16.9 78 82 A P E - C 0 24A 14 0, 0.0 -54,-0.2 0, 0.0 -52,-0.0 -0.464 19.9-129.3 -68.2 137.4 19.3 11.8 15.0 79 83 A L - 0 0 5 -56,-2.5 -56,-0.3 -2,-0.2 0, 0.0 -0.578 24.6-107.9 -84.7 149.4 17.9 11.0 11.5 80 84 A P - 0 0 70 0, 0.0 -57,-0.2 0, 0.0 -1,-0.1 -0.324 30.5-111.2 -69.2 162.7 17.2 7.4 10.5 81 85 A E S S+ 0 0 100 1,-0.3 -2,-0.0 -59,-0.1 -60,-0.0 0.807 117.4 37.1 -64.9 -26.0 19.6 6.0 8.0 82 86 A N S S- 0 0 143 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 -0.731 88.7-154.6-128.0 80.9 16.7 6.0 5.6 83 87 A P - 0 0 25 0, 0.0 -4,-0.0 0, 0.0 -2,-0.0 -0.204 20.5-116.7 -53.7 140.5 14.5 9.1 6.2 84 88 A D > - 0 0 89 1,-0.1 4,-2.6 4,-0.0 3,-0.2 -0.218 37.4 -91.0 -72.9 172.5 10.9 8.8 5.2 85 89 A P H > S+ 0 0 90 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.864 124.3 48.0 -52.1 -44.7 9.5 11.0 2.5 86 90 A E H > S+ 0 0 136 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.855 114.0 45.9 -68.6 -36.6 8.3 13.8 4.8 87 91 A L H > S+ 0 0 35 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.902 112.0 52.9 -71.6 -40.2 11.6 14.0 6.7 88 92 A L H X S+ 0 0 82 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.885 107.5 51.3 -61.8 -39.6 13.5 13.9 3.4 89 93 A K H X S+ 0 0 163 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.886 110.4 48.5 -66.2 -38.3 11.5 16.8 2.1 90 94 A D H X S+ 0 0 43 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.905 111.4 50.6 -68.0 -40.7 12.3 18.9 5.2 91 95 A L H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.960 112.0 47.2 -59.8 -50.4 16.0 18.0 4.9 92 96 A A H X S+ 0 0 57 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.888 109.0 54.6 -58.7 -42.0 16.0 19.1 1.3 93 97 A Q H X S+ 0 0 122 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.919 112.4 43.8 -58.9 -43.4 14.1 22.3 2.1 94 98 A H H X S+ 0 0 50 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.825 111.4 51.8 -73.7 -31.0 16.8 23.2 4.7 95 99 A L H X S+ 0 0 55 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.883 110.1 51.3 -71.1 -36.3 19.7 22.2 2.5 96 100 A S H X S+ 0 0 83 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.938 112.4 44.9 -63.1 -46.7 18.3 24.4 -0.2 97 101 A Q H X S+ 0 0 106 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.904 113.0 52.1 -63.7 -40.4 18.0 27.3 2.2 98 102 A G H X S+ 0 0 12 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.893 108.3 49.9 -63.5 -40.3 21.5 26.6 3.5 99 103 A L H X S+ 0 0 93 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.908 109.6 51.2 -66.0 -40.8 22.9 26.6 -0.0 100 104 A A H X S+ 0 0 40 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.895 109.8 50.0 -63.9 -37.7 21.3 30.0 -0.7 101 105 A E H X S+ 0 0 104 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.846 108.1 53.1 -69.5 -31.1 22.7 31.4 2.5 102 106 A A H X S+ 0 0 44 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.892 105.3 55.4 -68.7 -38.1 26.2 30.1 1.4 103 107 A Y H X S+ 0 0 129 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.915 107.4 49.7 -58.2 -43.9 25.7 32.0 -1.9 104 108 A R H X S+ 0 0 150 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.894 109.3 51.1 -64.2 -39.1 25.1 35.2 0.1 105 109 A R H X S+ 0 0 61 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.912 109.0 51.1 -64.7 -40.6 28.2 34.6 2.1 106 110 A I H X S+ 0 0 109 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.918 108.8 52.0 -61.5 -42.3 30.2 34.1 -1.1 107 111 A E H X S+ 0 0 114 -4,-2.3 4,-1.9 1,-0.2 5,-0.3 0.926 111.1 47.4 -60.2 -44.7 28.8 37.4 -2.4 108 112 A R H X S+ 0 0 67 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.938 111.2 49.2 -63.4 -48.6 29.9 39.2 0.8 109 113 A L H < S+ 0 0 92 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.852 116.8 43.6 -60.2 -34.2 33.4 37.7 0.8 110 114 A A H < S+ 0 0 79 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.750 132.2 14.6 -84.4 -23.8 33.8 38.7 -2.9 111 115 A T H < S+ 0 0 65 -4,-1.9 2,-0.4 -5,-0.2 -3,-0.2 0.542 102.4 85.5-130.1 -8.3 32.3 42.2 -2.8 112 116 A Q < - 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0 0 6 34,-1.9 -2,-0.1 -2,-0.9 2,-0.1 -0.830 48.2-141.6-166.2 124.1 31.4 36.4 21.2 143 147 A T > - 0 0 56 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.330 35.6-106.9 -79.5 166.6 35.2 36.8 21.6 144 148 A H H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.851 122.3 54.7 -64.6 -31.7 37.2 38.5 19.0 145 149 A D H > S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 108.4 48.4 -68.2 -36.7 38.6 35.2 17.9 146 150 A E H > S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.888 110.8 50.5 -70.1 -36.4 35.1 33.9 17.4 147 151 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.870 107.4 54.5 -67.8 -34.7 34.2 37.0 15.4 148 152 A A H X>S+ 0 0 5 -4,-2.0 5,-2.6 1,-0.2 4,-0.7 0.907 109.2 47.6 -63.4 -42.1 37.3 36.4 13.3 149 153 A A H <5S+ 0 0 12 -4,-1.8 -105,-2.6 3,-0.2 3,-0.2 0.849 108.8 56.7 -67.0 -33.1 36.1 32.9 12.6 150 154 A A H <5S+ 0 0 25 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.865 118.0 30.0 -66.6 -39.6 32.6 34.3 11.8 151 155 A V H <5S- 0 0 5 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.330 110.6-114.1-103.2 6.6 33.8 36.7 9.1 152 156 A G T <5S+ 0 0 36 -4,-0.7 -3,-0.2 -3,-0.2 2,-0.2 0.908 77.8 112.2 63.5 43.8 36.8 34.6 7.9 153 157 A S < - 0 0 35 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.443 66.2 -93.6-125.0-161.4 39.5 37.1 9.1 154 158 A V > - 0 0 90 -2,-0.2 4,-2.1 -3,-0.1 3,-0.3 -0.860 35.1-103.2-121.8 158.8 42.2 37.1 11.7 155 159 A R H > S+ 0 0 147 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.860 115.0 50.8 -45.5 -51.6 42.2 38.5 15.3 156 160 A E H > S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 111.5 45.6 -58.2 -46.5 44.1 41.7 14.6 157 161 A T H > S+ 0 0 58 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.879 114.5 49.4 -66.3 -37.5 42.0 42.9 11.7 158 162 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.912 107.4 54.6 -66.9 -42.9 38.8 42.1 13.6 159 163 A T H X S+ 0 0 59 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.894 109.6 47.9 -58.6 -40.4 40.1 44.0 16.7 160 164 A K H X S+ 0 0 132 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.901 112.5 47.6 -69.1 -40.1 40.7 47.1 14.6 161 165 A V H X S+ 0 0 20 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.911 112.2 49.6 -67.0 -42.2 37.3 46.9 12.9 162 166 A I H X S+ 0 0 3 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.900 109.1 53.5 -63.2 -39.6 35.5 46.4 16.2 163 167 A G H X S+ 0 0 19 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.899 110.0 46.7 -62.3 -41.2 37.4 49.4 17.6 164 168 A E H X S+ 0 0 82 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.918 110.8 51.1 -67.5 -43.6 36.3 51.6 14.8 165 169 A L H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 6,-1.0 0.866 113.0 48.4 -60.9 -34.4 32.7 50.5 15.1 166 170 A A H ><5S+ 0 0 36 -4,-2.0 3,-1.3 4,-0.2 -2,-0.2 0.944 109.5 49.6 -71.0 -48.6 32.9 51.3 18.8 167 171 A R H 3<5S+ 0 0 191 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.833 110.6 51.6 -60.5 -31.8 34.5 54.7 18.4 168 172 A E T 3<5S- 0 0 104 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.603 118.9-111.9 -81.4 -10.2 31.8 55.6 15.9 169 173 A G T < 5S+ 0 0 37 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.591 84.4 116.5 94.1 11.0 29.0 54.5 18.3 170 174 A Y S +J 177 0D 28 3,-2.4 3,-1.6 -2,-0.4 -2,-0.1 -0.847 57.7 27.7 169.0 153.9 34.4 44.3 26.2 175 179 A Y T 3 S- 0 0 234 1,-0.3 3,-0.1 -2,-0.2 -32,-0.1 0.824 126.1 -54.2 51.1 40.9 34.7 41.1 28.3 176 180 A G T 3 S+ 0 0 31 1,-0.2 -34,-1.9 -35,-0.1 2,-0.3 0.699 118.9 104.0 70.5 18.5 34.0 38.8 25.4 177 181 A K E < -IJ 141 174D 92 -3,-1.6 -3,-2.4 -36,-0.2 2,-0.4 -0.925 55.8-152.7-131.9 157.0 30.8 40.6 24.6 178 182 A I E -IJ 140 173D 0 -38,-2.1 -38,-3.2 -2,-0.3 2,-0.6 -0.997 9.8-157.1-129.1 124.1 29.5 43.0 22.0 179 183 A Q E -IJ 139 172D 23 -7,-3.0 -7,-1.9 -2,-0.4 2,-0.6 -0.907 13.6-140.8-104.1 124.1 26.7 45.4 22.8 180 184 A L E +IJ 138 171D 1 -42,-2.8 -42,-0.5 -2,-0.6 -9,-0.2 -0.749 27.5 168.3 -87.3 118.9 24.8 46.7 19.7 181 185 A L S S+ 0 0 46 -11,-2.5 2,-0.6 -2,-0.6 -10,-0.2 0.831 70.6 36.7 -96.0 -40.3 23.9 50.4 20.1 182 186 A D > + 0 0 67 -12,-1.9 4,-2.2 1,-0.2 -1,-0.2 -0.781 58.5 169.2-120.1 86.8 22.7 51.3 16.6 183 187 A L H > S+ 0 0 82 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.887 81.5 50.5 -63.8 -40.4 20.8 48.5 14.9 184 188 A K H > S+ 0 0 139 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 111.7 49.1 -65.2 -40.5 19.6 50.6 12.0 185 189 A G H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.884 110.7 49.5 -65.3 -40.2 23.1 51.9 11.4 186 190 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.895 108.8 53.3 -66.4 -38.1 24.5 48.4 11.5 187 191 A K H X S+ 0 0 112 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.900 106.4 52.9 -63.3 -39.8 21.8 47.2 9.0 188 192 A E H < S+ 0 0 104 -4,-1.9 -1,-0.2 1,-0.2 4,-0.2 0.886 111.5 45.6 -63.5 -38.2 22.8 50.0 6.6 189 193 A L H >< S+ 0 0 24 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.921 110.3 54.5 -68.8 -43.9 26.5 48.9 6.8 190 194 A A H 3< S+ 0 0 8 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.759 108.6 48.7 -61.1 -27.5 25.4 45.2 6.3 191 195 A E T 3< S+ 0 0 139 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.3 0.386 102.9 76.0 -95.3 3.9 23.5 46.1 3.2 192 196 A S S < S- 0 0 57 -3,-1.5 -79,-0.1 -4,-0.2 -76,-0.0 -0.891 73.9-137.3-117.7 145.7 26.3 48.1 1.5 193 197 A R 0 0 175 -2,-0.3 -80,-2.8 1,-0.2 -77,-0.2 0.775 360.0 360.0 -68.5 -24.9 29.5 46.9 -0.2 194 198 A G 0 0 46 -82,-0.2 -1,-0.2 -78,-0.1 -5,-0.0 -0.299 360.0 360.0 96.6 360.0 31.3 49.7 1.7