==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 30-SEP-09 3K2N . COMPND 2 MOLECULE: SIGMA-54-DEPENDENT TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROBIUM TEPIDUM TLS; . AUTHOR R.WU,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL . 354 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17999.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 72.9 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 . 72 20.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 15 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 1 1 0 0 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 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 . 0 0 2 2 0 2 2 0 2 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 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 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 0 131 0, 0.0 4,-0.8 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0-145.1 39.7 61.2 44.4 2 -1 A N H > + 0 0 91 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.562 360.0 85.2 -76.7 -8.4 36.5 60.8 42.2 3 0 A A H > S+ 0 0 45 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.942 97.0 36.7 -57.5 -49.3 38.3 62.7 39.4 4 1 A A H > S+ 0 0 10 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.850 115.2 56.3 -71.4 -36.3 39.9 59.4 38.1 5 2 A L H X S+ 0 0 20 -4,-0.8 4,-2.3 1,-0.2 -2,-0.2 0.908 109.0 46.4 -59.1 -44.7 36.8 57.4 39.0 6 3 A K H X S+ 0 0 125 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.817 108.1 55.3 -73.2 -32.4 34.7 59.6 36.8 7 4 A L H X S+ 0 0 13 -4,-1.4 4,-2.5 -5,-0.2 -1,-0.2 0.916 108.8 48.3 -66.8 -43.2 37.1 59.6 33.9 8 5 A X H X S+ 0 0 6 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.962 110.8 50.0 -62.1 -50.1 37.0 55.8 33.8 9 6 A Q H X S+ 0 0 39 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.924 110.7 51.5 -53.2 -43.3 33.2 55.8 33.9 10 7 A Y H X S+ 0 0 99 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.933 111.8 45.3 -59.0 -47.5 33.3 58.3 31.1 11 8 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.936 112.2 52.5 -59.6 -47.8 35.6 56.1 29.0 12 9 A G H X S+ 0 0 3 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.956 111.8 45.8 -51.2 -54.5 33.5 53.0 29.8 13 10 A D H < S+ 0 0 92 -4,-2.9 4,-0.3 -5,-0.2 5,-0.2 0.927 111.3 52.3 -53.9 -49.6 30.4 54.8 28.7 14 11 A A H >X S+ 0 0 7 -4,-2.9 4,-2.1 1,-0.2 3,-1.0 0.890 108.7 51.5 -57.8 -40.4 32.2 56.1 25.5 15 12 A I H 3< S+ 0 0 11 -4,-2.8 291,-1.7 1,-0.3 -1,-0.2 0.903 110.3 46.8 -63.0 -44.3 33.3 52.5 24.6 16 13 A G T 3< S+ 0 0 4 -4,-2.0 291,-1.2 289,-0.2 -1,-0.3 0.348 126.1 29.3 -83.1 6.9 29.8 51.0 25.0 17 14 A T T <4 S+ 0 0 46 -3,-1.0 -2,-0.2 -4,-0.3 -3,-0.2 0.630 93.4 82.1-128.9 -61.8 28.3 53.8 22.9 18 15 A I < - 0 0 30 -4,-2.1 288,-0.3 -5,-0.2 -1,-0.2 -0.368 57.7-162.6 -61.5 123.4 30.5 55.4 20.3 19 16 A R + 0 0 195 -2,-0.2 -1,-0.1 287,-0.1 289,-0.0 0.946 63.7 61.9 -76.0 -54.0 30.4 53.2 17.2 20 17 A D S > S- 0 0 72 1,-0.1 4,-1.4 4,-0.0 3,-0.4 -0.616 71.0-140.4 -86.3 137.4 33.5 54.2 15.1 21 18 A P H > S+ 0 0 60 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.874 95.1 57.5 -58.5 -49.0 37.1 53.9 16.5 22 19 A Q H > S+ 0 0 96 1,-0.3 4,-0.9 2,-0.2 5,-0.1 0.850 113.6 40.0 -61.3 -32.8 38.7 57.1 15.2 23 20 A E H > S+ 0 0 91 -3,-0.4 4,-1.8 2,-0.2 -1,-0.3 0.747 111.8 58.1 -84.9 -24.3 36.1 59.2 17.0 24 21 A L H X S+ 0 0 12 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.983 109.4 43.5 -60.8 -56.8 36.1 57.0 20.1 25 22 A F H X S+ 0 0 6 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.705 109.8 55.9 -71.0 -23.0 39.8 57.5 20.6 26 23 A R H X S+ 0 0 148 -4,-0.9 4,-2.6 -5,-0.3 -1,-0.2 0.956 110.2 45.9 -65.4 -51.2 39.7 61.2 20.0 27 24 A T H X S+ 0 0 36 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.902 115.7 46.7 -58.6 -42.8 37.0 61.6 22.7 28 25 A V H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.926 111.5 49.6 -65.7 -49.6 39.1 59.5 25.1 29 26 A T H X S+ 0 0 5 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.898 110.0 52.7 -54.0 -43.9 42.4 61.2 24.4 30 27 A D H >< S+ 0 0 85 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.917 110.4 46.6 -61.7 -42.7 40.8 64.6 24.9 31 28 A K H >< S+ 0 0 65 -4,-1.8 3,-2.6 1,-0.3 4,-0.5 0.862 97.5 69.3 -71.1 -35.7 39.4 63.5 28.3 32 29 A L H >X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.3 3,-1.0 0.754 86.0 75.0 -48.7 -23.1 42.7 62.0 29.5 33 30 A R T << S+ 0 0 70 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.537 81.3 67.0 -73.9 -6.4 43.8 65.7 29.5 34 31 A L T <4 S+ 0 0 127 -3,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.798 117.8 21.2 -82.1 -29.9 41.8 66.3 32.7 35 32 A L T <4 S+ 0 0 54 -3,-1.0 2,-0.3 -4,-0.5 -2,-0.2 0.713 122.5 50.6-102.7 -26.1 44.1 64.1 34.7 36 33 A F < - 0 0 13 -4,-2.4 2,-0.4 2,-0.0 -1,-0.1 -0.877 64.3-139.7-128.0 144.1 47.3 63.9 32.7 37 34 A A + 0 0 51 -2,-0.3 2,-0.3 107,-0.1 106,-0.1 -0.878 42.6 125.8-103.5 133.4 49.7 66.4 31.1 38 35 A F - 0 0 7 -2,-0.4 101,-0.2 1,-0.1 3,-0.1 -0.912 48.8-141.0-173.4 155.1 51.2 65.7 27.6 39 36 A D S S+ 0 0 31 99,-1.0 2,-0.4 1,-0.3 100,-0.2 0.827 86.8 20.0 -93.7 -38.1 51.4 67.5 24.3 40 37 A S E -A 138 0A 1 98,-2.1 98,-2.1 20,-0.1 2,-0.4 -0.990 63.3-166.6-139.6 139.4 50.9 64.5 22.0 41 38 A A E +AB 137 59A 1 18,-1.6 18,-2.2 -2,-0.4 2,-0.3 -0.940 5.9 178.2-128.4 145.5 49.5 61.0 22.4 42 39 A V E -AB 136 58A 26 94,-2.2 94,-2.6 -2,-0.4 2,-0.6 -0.999 21.6-144.5-142.2 146.7 49.6 57.8 20.3 43 40 A I E -AB 135 57A 4 14,-2.8 13,-2.7 -2,-0.3 14,-1.7 -0.957 25.3-173.2-106.2 123.8 48.3 54.2 20.6 44 41 A I E -AB 134 55A 28 90,-2.5 90,-2.3 -2,-0.6 2,-0.4 -0.929 12.3-145.8-117.3 139.8 50.7 51.8 19.0 45 42 A T E -AB 133 54A 21 9,-2.7 9,-2.6 -2,-0.4 2,-0.4 -0.850 14.3-138.5-107.4 148.3 50.1 48.1 18.6 46 43 A I E - B 0 53A 24 86,-2.4 2,-0.5 -2,-0.4 7,-0.2 -0.826 14.9-166.2-109.4 135.5 52.8 45.5 18.8 47 44 A D E >> - B 0 52A 71 5,-2.6 5,-1.8 -2,-0.4 4,-1.4 -0.879 14.8-173.1-113.4 95.6 53.5 42.4 16.7 48 45 A R T 45S+ 0 0 116 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.897 79.3 42.6 -62.0 -45.1 55.9 40.5 19.0 49 46 A E T 45S+ 0 0 164 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.874 118.1 43.8 -70.9 -41.2 56.8 37.7 16.6 50 47 A R T 45S- 0 0 173 2,-0.1 -1,-0.2 24,-0.0 -2,-0.2 0.626 105.5-132.1 -76.9 -10.6 57.1 39.9 13.5 51 48 A R T <5 + 0 0 112 -4,-1.4 24,-2.2 1,-0.2 25,-0.7 0.969 61.0 132.1 59.6 53.8 59.0 42.5 15.6 52 49 A E E < -BC 47 74A 68 -5,-1.8 -5,-2.6 22,-0.3 2,-0.4 -0.937 46.6-151.0-137.8 156.9 56.9 45.3 14.3 53 50 A A E -BC 46 73A 11 20,-2.5 20,-1.7 -2,-0.3 2,-0.4 -0.992 9.5-162.0-131.2 140.2 54.9 48.2 15.5 54 51 A S E -BC 45 72A 28 -9,-2.6 -9,-2.7 -2,-0.4 2,-0.7 -0.956 24.9-121.3-121.9 139.9 51.8 49.9 14.0 55 52 A V E +B 44 0A 46 16,-2.4 -11,-0.2 -2,-0.4 3,-0.1 -0.664 32.4 174.6 -73.5 114.1 50.3 53.3 14.6 56 53 A F E - 0 0 40 -13,-2.7 2,-0.3 -2,-0.7 -12,-0.2 0.792 66.8 -11.3 -91.9 -31.2 46.8 52.5 15.8 57 54 A F E -B 43 0A 6 -14,-1.7 -14,-2.8 -3,-0.1 -1,-0.4 -0.943 64.2-169.2-167.9 144.1 45.8 56.0 16.5 58 55 A E E -B 42 0A 86 -2,-0.3 -16,-0.2 -16,-0.2 2,-0.2 -0.986 20.6-176.7-141.7 149.0 47.5 59.4 16.9 59 56 A X E -B 41 0A 41 -18,-2.2 -18,-1.6 -2,-0.3 2,-0.3 -0.718 32.2-179.7-138.0 87.1 46.8 63.0 18.1 60 57 A L - 0 0 40 -2,-0.2 -20,-0.1 -20,-0.2 -2,-0.0 -0.635 31.1-170.5 -94.9 146.5 50.1 64.8 17.2 61 58 A R S S+ 0 0 160 -2,-0.3 2,-0.2 2,-0.0 -1,-0.1 0.464 80.1 51.1-108.0 -7.9 51.0 68.5 17.8 62 59 A F S S- 0 0 35 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.629 79.9-129.5-108.9 175.7 54.2 68.2 15.7 63 60 A E - 0 0 99 -2,-0.2 -2,-0.0 52,-0.0 0, 0.0 -0.967 19.7-157.5-129.1 121.7 54.7 66.9 12.2 64 61 A L - 0 0 26 -2,-0.4 44,-0.0 1,-0.1 5,-0.0 -0.473 30.7 -88.9 -88.3 161.7 57.4 64.3 11.5 65 62 A P - 0 0 49 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.166 38.8-107.1 -67.2 169.3 59.0 63.6 8.1 66 63 A E S > S+ 0 0 163 1,-0.2 3,-2.6 2,-0.2 -2,-0.1 0.862 112.4 59.8 -70.7 -42.2 57.6 61.1 5.7 67 64 A Q T 3 S+ 0 0 129 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.848 112.2 43.1 -56.0 -34.7 60.2 58.3 6.0 68 65 A L T 3 S+ 0 0 21 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.126 96.4 84.0 -94.4 17.7 59.2 58.1 9.7 69 66 A R < + 0 0 140 -3,-2.6 2,-0.3 3,-0.0 -1,-0.2 0.082 58.7 129.8-110.1 22.0 55.6 58.4 8.8 70 67 A H - 0 0 118 -3,-0.4 -15,-0.1 1,-0.1 3,-0.1 -0.566 58.3-139.7 -78.1 138.5 55.0 54.7 8.1 71 68 A Q S S+ 0 0 125 -2,-0.3 -16,-2.4 1,-0.2 2,-0.4 0.851 91.0 31.2 -64.7 -34.5 52.0 53.0 9.8 72 69 A T E +C 54 0A 55 -18,-0.2 2,-0.3 -20,-0.0 -18,-0.2 -0.991 69.5 157.8-130.7 134.7 54.2 49.9 10.4 73 70 A R E -C 53 0A 69 -20,-1.7 -20,-2.5 -2,-0.4 2,-0.1 -0.963 42.4 -92.5-146.2 158.3 57.9 49.6 11.0 74 71 A S E -C 52 0A 73 -2,-0.3 -22,-0.3 -22,-0.2 -23,-0.1 -0.416 23.5-175.2 -69.0 149.1 60.4 47.1 12.5 75 72 A I > + 0 0 9 -24,-2.2 3,-2.3 -2,-0.1 6,-0.5 0.122 32.4 146.7-125.5 14.1 61.3 47.5 16.2 76 73 A A T 3 S- 0 0 42 -25,-0.7 3,-0.1 1,-0.3 -2,-0.1 -0.373 79.6 -4.1 -55.5 117.0 63.9 44.7 16.0 77 74 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.3 -2,-0.2 2,-0.2 0.569 104.6 132.4 73.3 12.1 66.7 45.6 18.4 78 75 A T S X> S- 0 0 34 -3,-2.3 3,-0.9 1,-0.1 4,-0.6 -0.536 73.1-105.9 -94.0 163.9 65.2 49.0 19.2 79 76 A W G >4 S+ 0 0 46 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.853 118.3 56.8 -52.7 -39.5 64.7 50.5 22.7 80 77 A L G >4 S+ 0 0 19 1,-0.3 3,-2.5 2,-0.2 -1,-0.3 0.844 93.3 66.3 -65.5 -34.1 61.0 49.9 22.5 81 78 A E G X4 S+ 0 0 43 -3,-0.9 3,-0.9 -6,-0.5 -1,-0.3 0.747 93.4 63.4 -61.6 -21.9 61.4 46.1 22.0 82 79 A G G << S+ 0 0 65 -3,-1.1 -1,-0.3 -4,-0.6 3,-0.3 0.551 95.7 57.9 -80.2 -7.3 62.8 46.0 25.5 83 80 A H G X + 0 0 47 -3,-2.5 3,-2.3 -4,-0.2 -1,-0.2 0.350 68.9 110.4-100.4 6.0 59.5 47.2 27.0 84 81 A L T < S+ 0 0 6 -3,-0.9 47,-0.4 1,-0.3 -1,-0.2 0.626 82.4 43.9 -57.6 -12.8 57.5 44.3 25.6 85 82 A D T 3 S+ 0 0 88 -3,-0.3 -1,-0.3 45,-0.1 -2,-0.1 0.220 82.4 141.3-114.7 13.2 57.1 42.8 29.1 86 83 A D < + 0 0 34 -3,-2.3 -3,-0.1 1,-0.1 4,-0.1 -0.313 28.2 178.6 -65.4 136.6 56.3 46.0 31.1 87 84 A R + 0 0 165 2,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.716 68.3 47.2 -96.7 -30.7 53.7 45.9 33.8 88 85 A T S S- 0 0 93 1,-0.1 63,-0.1 35,-0.1 2,-0.1 -0.607 91.2 -83.5-116.0 170.3 54.1 49.6 34.8 89 86 A V - 0 0 4 -2,-0.2 2,-0.5 34,-0.1 34,-0.2 -0.332 34.7-148.1 -69.7 145.3 54.3 53.1 33.3 90 87 A T E -D 122 0A 35 32,-2.6 32,-3.0 -2,-0.1 2,-0.6 -0.976 12.7-175.5-118.5 122.8 57.6 54.5 31.9 91 88 A V E +D 121 0A 39 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.973 20.7 174.1-114.9 114.3 58.4 58.2 32.0 92 89 A A E -D 120 0A 9 28,-2.4 28,-2.4 -2,-0.6 2,-0.5 -0.968 37.9-126.7-129.9 138.4 61.7 58.8 30.2 93 90 A S E >> -D 119 0A 7 -2,-0.4 4,-2.6 26,-0.2 5,-0.6 -0.706 25.8-143.5 -70.4 121.2 63.9 61.8 29.2 94 91 A I T 45S+ 0 0 0 24,-2.2 4,-0.4 -2,-0.5 7,-0.2 0.898 97.9 38.0 -53.1 -46.7 64.5 61.2 25.4 95 92 A A T 45S+ 0 0 40 23,-0.4 -1,-0.2 2,-0.1 24,-0.1 0.628 131.7 23.5 -86.5 -16.6 68.0 62.5 25.6 96 93 A R T 45S+ 0 0 221 -3,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.736 117.0 50.7-115.2 -36.4 69.1 61.0 29.0 97 94 A D T <5S+ 0 0 96 -4,-2.6 -3,-0.2 1,-0.1 -2,-0.1 0.589 95.6 72.2 -88.6 -10.4 67.0 58.0 29.9 98 95 A I > < - 0 0 16 -5,-0.6 3,-1.9 -4,-0.4 -1,-0.1 -0.908 61.0-159.3-116.7 107.3 67.3 55.9 26.7 99 96 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.703 91.1 60.0 -57.5 -27.3 70.7 54.2 26.0 100 97 A S T 3 >S+ 0 0 38 5,-0.1 5,-0.5 4,-0.0 6,-0.4 0.772 74.6 130.6 -67.8 -30.3 69.9 53.9 22.3 101 98 A F T < 5 + 0 0 45 -3,-1.9 2,-0.2 -7,-0.2 -6,-0.0 0.048 34.0 88.6 -43.1 122.5 69.5 57.7 21.8 102 99 A G T >5S- 0 0 7 4,-0.4 4,-0.8 2,-0.0 8,-0.4 -0.843 92.1 -88.0 167.8 169.3 71.5 58.9 18.8 103 100 A A T 45S+ 0 0 64 -2,-0.2 -2,-0.1 1,-0.1 8,-0.0 0.568 114.2 77.4 -68.4 -7.3 71.0 59.5 15.1 104 101 A D T 45S- 0 0 113 -4,-0.2 -1,-0.1 2,-0.1 -3,-0.1 0.998 113.5 -9.5 -68.0 -87.1 72.2 55.8 14.9 105 102 A G T 4 S+ 0 0 59 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.885 76.7 53.5 -55.3 -46.3 66.3 57.8 14.2 108 105 A L H > S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.963 110.8 44.8 -50.5 -60.8 62.8 58.3 15.5 109 106 A L H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.847 113.1 52.2 -52.4 -39.0 64.0 59.4 18.9 110 107 A W H X S+ 0 0 96 -4,-2.3 4,-2.4 -8,-0.4 -1,-0.2 0.905 111.2 45.9 -69.2 -41.6 66.6 61.6 17.3 111 108 A T H X S+ 0 0 27 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.864 110.3 54.2 -67.0 -39.2 64.1 63.3 15.1 112 109 A L H X>S+ 0 0 14 -4,-2.8 5,-2.7 2,-0.2 4,-0.6 0.912 110.5 46.1 -61.3 -41.3 61.7 63.7 18.1 113 110 A H H ><5S+ 0 0 46 -4,-2.1 3,-1.7 3,-0.2 -2,-0.2 0.941 109.8 55.2 -66.7 -46.2 64.5 65.4 20.0 114 111 A E H 3<5S+ 0 0 116 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.889 103.6 54.8 -46.3 -50.3 65.3 67.5 16.9 115 112 A L H 3<5S- 0 0 76 -4,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.667 129.4 -98.9 -58.5 -19.8 61.6 68.6 16.9 116 113 A G T <<5S+ 0 0 25 -3,-1.7 2,-0.3 -4,-0.6 -3,-0.2 0.596 74.3 146.6 102.9 17.3 62.0 69.8 20.5 117 114 A X < + 0 0 13 -5,-2.7 -1,-0.3 -6,-0.2 23,-0.3 -0.653 16.4 170.5 -81.4 146.1 60.5 66.8 22.2 118 115 A R + 0 0 89 21,-3.2 -24,-2.2 1,-0.3 -23,-0.4 0.572 55.9 43.8-129.6 -27.2 62.1 66.0 25.6 119 116 A Q E -DE 93 139A 7 20,-1.9 20,-2.2 -26,-0.2 2,-0.4 -0.990 50.9-173.1-139.4 138.5 59.9 63.4 27.3 120 117 A I E -DE 92 138A 8 -28,-2.4 -28,-2.4 -2,-0.4 2,-0.4 -0.992 9.5-159.5-130.7 127.8 58.2 60.3 26.2 121 118 A V E -DE 91 137A 2 16,-2.7 16,-1.6 -2,-0.4 2,-0.5 -0.932 4.1-160.1-109.4 133.0 55.8 58.2 28.5 122 119 A L E -DE 90 136A 5 -32,-3.0 -32,-2.6 -2,-0.4 14,-0.2 -0.954 9.9-179.3-112.4 124.5 54.9 54.5 27.9 123 120 A S E - 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