==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATION 09-DEC-05 2C98 . COMPND 2 MOLECULE: PSP OPERON TRANSCRIPTIONAL ACTIVATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.RAPPAS,J.SCHUMACHER,H.NIWA,M.BUCK,X.ZHANG . 244 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13020.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 16 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 0 2 0 2 1 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 L 0 0 111 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.4 44.7 -14.0 -5.6 2 9 A L + 0 0 52 2,-0.0 2,-0.1 175,-0.0 175,-0.1 -0.682 360.0 81.4 -95.9 145.2 46.5 -12.2 -2.8 3 10 A G - 0 0 16 -2,-0.3 170,-0.0 1,-0.1 171,-0.0 -0.268 34.9-167.0 137.5 146.0 47.0 -13.6 0.7 4 11 A E + 0 0 143 166,-0.3 -1,-0.1 -2,-0.1 167,-0.1 0.302 48.8 129.0-128.3 -5.3 49.1 -15.9 2.8 5 12 A A > - 0 0 0 165,-0.2 4,-2.9 1,-0.1 3,-0.4 -0.362 63.1-130.5 -61.2 136.6 46.9 -16.1 5.9 6 13 A N H > S+ 0 0 97 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.873 108.5 56.5 -52.0 -43.9 46.2 -19.7 7.0 7 14 A S H > S+ 0 0 39 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.896 112.2 41.9 -55.3 -43.9 42.5 -18.9 7.3 8 15 A F H > S+ 0 0 10 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.916 112.8 51.8 -72.8 -43.8 42.5 -17.8 3.6 9 16 A L H X S+ 0 0 77 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.899 107.7 54.7 -59.7 -35.5 44.7 -20.6 2.4 10 17 A E H X S+ 0 0 130 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.878 105.3 52.4 -67.5 -35.8 42.3 -23.0 4.1 11 18 A V H X S+ 0 0 6 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.936 108.6 50.6 -61.9 -46.3 39.4 -21.5 2.2 12 19 A L H X S+ 0 0 35 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.901 110.8 48.5 -61.2 -39.2 41.2 -22.0 -1.1 13 20 A E H X S+ 0 0 116 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.933 111.9 49.7 -66.2 -44.3 41.9 -25.7 -0.3 14 21 A Q H >X S+ 0 0 55 -4,-2.4 4,-2.3 1,-0.2 3,-0.5 0.925 109.2 51.7 -57.2 -46.6 38.3 -26.2 0.7 15 22 A V H 3X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.847 102.5 59.8 -61.3 -35.8 37.1 -24.6 -2.5 16 23 A S H 3< S+ 0 0 48 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.850 112.2 40.0 -63.3 -31.1 39.4 -27.0 -4.6 17 24 A H H << S+ 0 0 122 -4,-1.3 4,-0.2 -3,-0.5 -2,-0.2 0.820 117.4 47.0 -85.3 -35.4 37.5 -29.9 -3.1 18 25 A L H >< S+ 0 0 9 -4,-2.3 3,-1.6 -5,-0.2 5,-0.2 0.806 95.3 74.3 -73.9 -34.3 34.0 -28.5 -3.3 19 26 A A T 3< S+ 0 0 0 -4,-2.2 28,-0.3 1,-0.3 -1,-0.2 0.883 90.9 54.0 -56.0 -44.0 34.2 -27.2 -6.8 20 27 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 27,-0.2 0.653 93.1 91.8 -66.7 -11.7 33.9 -30.5 -8.6 21 28 A L S < S- 0 0 65 -3,-1.6 26,-0.1 -4,-0.2 -3,-0.0 -0.463 72.4-142.0 -80.7 154.1 30.7 -31.4 -6.7 22 29 A D + 0 0 94 -2,-0.1 110,-0.3 24,-0.1 -1,-0.1 0.414 67.7 114.9 -90.5 11.7 27.3 -30.5 -8.1 23 30 A K S S- 0 0 102 -5,-0.2 -2,-0.1 108,-0.1 134,-0.1 -0.414 75.2-100.9 -84.8 152.2 26.1 -29.7 -4.6 24 31 A P - 0 0 23 0, 0.0 136,-0.7 0, 0.0 135,-0.4 -0.317 34.5-153.0 -67.8 146.0 25.1 -26.2 -3.4 25 32 A V E -ab 133 160A 1 107,-1.9 109,-2.5 134,-0.2 2,-0.5 -0.985 2.2-151.6-125.4 138.0 27.7 -24.2 -1.5 26 33 A L E -ab 134 161A 7 134,-2.2 136,-2.9 -2,-0.4 2,-0.5 -0.934 8.6-158.6-110.1 126.0 27.0 -21.4 1.1 27 34 A I E -ab 135 162A 0 107,-2.9 109,-1.7 -2,-0.5 2,-0.6 -0.927 2.7-163.2-108.0 121.8 29.6 -18.7 1.6 28 35 A I E +ab 136 163A 41 134,-2.7 136,-2.6 -2,-0.5 2,-0.3 -0.948 35.8 115.1-105.2 122.2 29.5 -16.8 4.8 29 36 A G - 0 0 2 107,-1.6 109,-0.1 -2,-0.6 3,-0.1 -0.959 58.6 -92.3-177.6 160.3 31.4 -13.5 4.8 30 37 A E > - 0 0 42 134,-0.4 3,-1.3 -2,-0.3 5,-0.3 -0.242 60.0 -74.3 -72.9 166.0 31.3 -9.7 5.0 31 38 A R T 3 S+ 0 0 147 1,-0.2 -1,-0.2 180,-0.2 183,-0.1 -0.332 118.1 20.0 -61.2 142.7 31.0 -7.4 2.1 32 39 A G T 3 S+ 0 0 12 181,-0.2 182,-2.2 182,-0.1 183,-0.4 0.626 87.3 113.4 75.1 14.3 34.3 -7.1 0.1 33 40 A T S < S- 0 0 3 -3,-1.3 -2,-0.1 180,-0.2 -1,-0.1 0.464 96.6 -90.4 -96.3 -3.3 35.8 -10.4 1.4 34 41 A G S > S+ 0 0 21 -4,-0.2 4,-2.6 130,-0.1 5,-0.2 0.708 74.1 145.8 103.9 30.8 35.7 -12.1 -2.0 35 42 A K H > S+ 0 0 16 -5,-0.3 4,-2.4 1,-0.2 5,-0.1 0.938 80.0 40.3 -62.4 -50.3 32.4 -13.9 -2.0 36 43 A E H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.882 113.9 55.0 -65.6 -37.7 31.8 -13.4 -5.7 37 44 A L H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.926 111.1 44.5 -61.6 -42.3 35.4 -14.2 -6.4 38 45 A I H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.886 111.2 53.6 -66.5 -41.6 35.1 -17.5 -4.6 39 46 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.919 110.4 47.2 -58.1 -43.8 31.8 -18.3 -6.2 40 47 A S H X S+ 0 0 34 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.876 109.3 54.2 -68.4 -33.8 33.4 -17.7 -9.6 41 48 A R H X S+ 0 0 92 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.890 105.7 53.4 -64.4 -42.7 36.4 -19.9 -8.5 42 49 A L H < S+ 0 0 0 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.913 111.6 46.4 -55.6 -42.2 34.0 -22.7 -7.7 43 50 A H H >< S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 5,-0.2 0.969 113.7 45.9 -66.2 -51.2 32.5 -22.4 -11.2 44 51 A Y H 3< S+ 0 0 136 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.748 114.6 48.2 -70.9 -20.3 35.9 -22.3 -13.0 45 52 A L T 3< S+ 0 0 85 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.475 102.3 81.8 -91.5 -6.8 37.3 -25.2 -11.0 46 53 A S S X S- 0 0 6 -3,-1.3 3,-1.2 -4,-0.5 -27,-0.1 -0.370 96.4-103.2 -93.1 174.1 34.2 -27.3 -11.5 47 54 A S T 3 S+ 0 0 96 -28,-0.3 3,-0.4 1,-0.2 -4,-0.1 0.606 118.6 65.6 -72.9 -10.6 33.1 -29.5 -14.5 48 55 A R T > + 0 0 19 -5,-0.2 3,-2.6 1,-0.2 -1,-0.2 0.221 63.1 119.6 -88.6 10.5 30.7 -26.7 -15.5 49 56 A W T < S+ 0 0 143 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.743 72.4 52.3 -58.3 -26.7 33.6 -24.3 -16.2 50 57 A Q T 3 S+ 0 0 167 -3,-0.4 -1,-0.3 39,-0.1 -2,-0.1 0.603 99.7 82.8 -83.9 -10.5 32.5 -23.9 -19.9 51 58 A G S < S- 0 0 20 -3,-2.6 39,-0.2 38,-0.3 38,-0.1 -0.217 94.2 -70.0 -83.9 175.9 29.0 -23.0 -18.8 52 59 A P - 0 0 46 0, 0.0 39,-2.5 0, 0.0 2,-0.5 -0.349 30.4-152.5 -68.0 145.0 27.6 -19.7 -17.7 53 60 A F E -c 91 0A 46 37,-0.2 2,-0.4 -2,-0.0 39,-0.2 -0.997 23.4-179.2-115.7 114.6 28.4 -18.0 -14.4 54 61 A I E -c 92 0A 32 37,-2.5 39,-3.0 -2,-0.5 2,-0.3 -0.934 7.1-164.6-118.9 138.8 25.5 -15.8 -13.5 55 62 A S E +c 93 0A 39 -2,-0.4 2,-0.3 37,-0.2 39,-0.2 -0.891 8.5 177.7-120.9 154.3 25.2 -13.5 -10.4 56 63 A L E -c 94 0A 16 37,-2.0 39,-2.9 -2,-0.3 2,-0.7 -0.954 23.9-141.1-155.6 138.9 22.3 -11.8 -8.7 57 64 A N E > -c 95 0A 62 -2,-0.3 3,-1.4 37,-0.2 4,-0.2 -0.901 12.0-163.6 -98.7 104.9 22.1 -9.6 -5.5 58 65 A C G > S+ 0 0 4 37,-2.5 3,-0.7 -2,-0.7 38,-0.2 0.716 86.3 61.4 -60.0 -26.2 18.8 -10.6 -3.8 59 66 A A G 3 S+ 0 0 57 36,-0.3 -1,-0.2 1,-0.2 37,-0.1 0.676 93.4 65.5 -78.5 -12.7 18.9 -7.5 -1.6 60 67 A A G < S+ 0 0 75 -3,-1.4 2,-0.4 2,-0.0 -1,-0.2 0.468 93.7 62.7 -90.6 -4.2 18.8 -5.1 -4.7 61 68 A L S < S- 0 0 42 -3,-0.7 6,-0.0 -4,-0.2 0, 0.0 -0.944 79.6-115.6-129.0 142.9 15.3 -6.0 -5.9 62 69 A N > - 0 0 107 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.255 46.6 -94.8 -68.0 167.0 11.8 -5.7 -4.5 63 70 A E H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.874 122.6 44.9 -56.6 -45.8 9.9 -8.9 -3.9 64 71 A N H > S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.873 116.2 46.4 -70.9 -34.1 8.0 -9.0 -7.3 65 72 A L H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.849 111.6 51.2 -74.4 -35.3 11.0 -8.1 -9.3 66 73 A L H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.937 110.3 50.9 -63.9 -46.2 13.2 -10.6 -7.5 67 74 A D H X S+ 0 0 26 -4,-2.3 4,-2.4 -5,-0.2 5,-0.3 0.926 115.4 40.2 -56.9 -48.5 10.7 -13.3 -8.1 68 75 A S H X S+ 0 0 26 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.861 114.3 53.4 -76.1 -28.8 10.5 -12.5 -11.9 69 76 A E H < S+ 0 0 36 -4,-2.4 14,-2.5 2,-0.2 -2,-0.2 0.889 118.7 35.3 -71.1 -35.2 14.3 -12.0 -12.2 70 77 A L H < S+ 0 0 1 -4,-2.3 14,-1.6 12,-0.3 15,-0.4 0.912 132.5 25.8 -83.9 -45.8 15.1 -15.4 -10.6 71 78 A F H < S- 0 0 13 -4,-2.4 11,-0.2 -5,-0.3 -3,-0.2 0.486 103.3-129.2-101.6 -3.3 12.2 -17.5 -11.9 72 79 A G < - 0 0 13 -4,-1.6 2,-0.3 -5,-0.3 -1,-0.2 -0.018 16.6-130.6 82.6 167.6 11.4 -15.6 -15.2 73 80 A H E -E 80 0B 80 7,-2.0 7,-3.6 2,-0.1 2,-0.1 -0.975 20.4 -97.1-152.2 157.4 8.0 -14.4 -16.4 74 81 A E E E 79 0B 53 -2,-0.3 5,-0.3 5,-0.2 4,-0.1 -0.393 360.0 360.0 -69.0 149.1 5.9 -14.5 -19.6 75 82 A A 0 0 88 3,-1.4 4,-0.1 -2,-0.1 -2,-0.1 -0.495 360.0 360.0 68.9 360.0 5.8 -11.7 -22.2 76 ! 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 77 89 A Q 0 0 135 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -56.2 8.9 -11.5 -26.8 78 90 A K + 0 0 79 1,-0.3 -3,-1.4 -4,-0.1 2,-0.3 0.617 360.0 16.8 -93.4 -20.1 7.1 -14.6 -25.6 79 91 A R E -E 74 0B 44 -5,-0.3 -1,-0.3 -4,-0.1 -5,-0.2 -0.991 55.5-146.6-152.1 142.2 9.2 -15.1 -22.4 80 92 A H E -E 73 0B 61 -7,-3.6 -7,-2.0 -2,-0.3 2,-0.1 -0.929 34.3-142.7-102.2 98.7 11.6 -13.2 -20.1 81 93 A P - 0 0 60 0, 0.0 -9,-0.2 0, 0.0 -10,-0.1 -0.367 13.1-138.3 -63.8 139.5 14.0 -15.9 -18.9 82 94 A G > - 0 0 0 -11,-0.2 4,-2.3 -12,-0.1 -12,-0.3 -0.231 31.8 -88.4 -86.0-171.9 15.2 -15.6 -15.4 83 95 A R H > S+ 0 0 36 -14,-2.5 4,-1.4 2,-0.2 -13,-0.2 0.829 124.2 58.6 -71.7 -35.5 18.6 -16.2 -13.9 84 96 A F H 4 S+ 0 0 7 -14,-1.6 3,-0.5 2,-0.2 4,-0.3 0.962 110.5 44.5 -56.8 -46.5 18.0 -20.0 -13.3 85 97 A E H >4 S+ 0 0 38 -15,-0.4 3,-1.5 1,-0.2 -2,-0.2 0.939 112.1 51.1 -65.2 -40.2 17.4 -20.3 -17.1 86 98 A R H 3< S+ 0 0 134 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.753 110.2 51.3 -67.8 -20.7 20.3 -18.2 -18.0 87 99 A A T >< S+ 0 0 0 -4,-1.4 3,-2.7 -3,-0.5 44,-0.3 0.346 76.5 140.3 -96.3 5.3 22.5 -20.3 -15.7 88 100 A D T < S+ 0 0 80 -3,-1.5 42,-0.2 1,-0.3 3,-0.1 -0.261 77.9 11.6 -58.5 132.8 21.5 -23.6 -17.3 89 101 A G T 3 S+ 0 0 30 40,-2.6 -1,-0.3 1,-0.3 -38,-0.3 0.482 130.7 58.6 78.5 3.3 24.5 -25.9 -17.6 90 102 A G S < S- 0 0 0 -3,-2.7 41,-2.3 39,-0.4 2,-0.4 -0.344 91.8 -64.8-137.0-146.1 26.4 -23.5 -15.4 91 103 A T E -cd 53 131A 0 -39,-2.5 -37,-2.5 39,-0.2 2,-0.5 -0.965 25.9-157.7-127.3 136.8 26.5 -21.8 -12.0 92 104 A L E -cd 54 132A 0 39,-2.3 41,-2.5 -2,-0.4 2,-0.6 -0.955 8.6-159.6-116.5 120.5 24.2 -19.3 -10.3 93 105 A F E -cd 55 133A 1 -39,-3.0 -37,-2.0 -2,-0.5 2,-0.7 -0.920 4.6-166.8-100.6 114.3 25.6 -17.1 -7.5 94 106 A L E -cd 56 134A 1 39,-2.5 41,-2.2 -2,-0.6 3,-0.5 -0.882 9.4-164.5-104.6 106.1 22.9 -15.6 -5.2 95 107 A D E +c 57 0A 20 -39,-2.9 -37,-2.5 -2,-0.7 -36,-0.3 -0.546 68.7 22.3 -88.2 157.6 24.4 -12.9 -3.0 96 108 A E S > S+ 0 0 58 39,-0.3 3,-1.9 -2,-0.2 40,-0.2 0.877 73.0 170.2 53.1 46.2 22.6 -11.5 0.1 97 109 A L G > + 0 0 0 38,-2.4 3,-2.0 -3,-0.5 39,-0.1 0.787 64.5 67.4 -55.0 -39.6 20.5 -14.7 0.4 98 110 A A G 3 S+ 0 0 13 1,-0.3 -1,-0.3 37,-0.2 38,-0.1 0.655 92.7 60.7 -63.2 -14.2 19.2 -13.8 3.8 99 111 A T G < S+ 0 0 69 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.482 74.0 117.6 -89.1 -1.6 17.2 -10.9 2.3 100 112 A A S < S- 0 0 5 -3,-2.0 -41,-0.1 -4,-0.2 5,-0.1 -0.481 73.0-115.0 -67.7 131.3 15.2 -13.1 0.0 101 113 A P >> - 0 0 33 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.276 27.0-105.8 -63.2 156.7 11.5 -12.8 1.0 102 114 A M H 3> S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.875 120.7 56.7 -56.8 -34.3 9.8 -16.0 2.4 103 115 A M H 3> S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.925 108.7 46.9 -63.6 -36.9 7.9 -16.5 -0.9 104 116 A V H <> S+ 0 0 0 -3,-0.8 4,-2.8 2,-0.2 -2,-0.2 0.901 108.7 54.3 -69.7 -37.9 11.2 -16.6 -2.8 105 117 A Q H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.920 109.0 49.0 -60.6 -44.7 12.7 -18.9 -0.4 106 118 A E H X S+ 0 0 46 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.940 112.3 47.3 -59.4 -47.6 9.8 -21.4 -0.9 107 119 A K H X S+ 0 0 63 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.893 111.3 52.1 -64.9 -33.8 10.1 -21.1 -4.7 108 120 A L H X S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.927 108.0 50.4 -65.9 -48.9 13.9 -21.6 -4.4 109 121 A L H X S+ 0 0 8 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.905 110.1 51.5 -53.5 -42.1 13.4 -24.8 -2.3 110 122 A R H X S+ 0 0 118 -4,-2.2 4,-2.3 2,-0.2 5,-0.4 0.905 109.3 49.0 -65.9 -40.0 10.9 -26.1 -4.9 111 123 A V H X S+ 0 0 11 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.938 112.9 48.2 -64.2 -44.4 13.4 -25.5 -7.8 112 124 A I H < S+ 0 0 46 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.867 117.8 39.6 -62.6 -39.9 16.2 -27.3 -5.9 113 125 A E H < S+ 0 0 105 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.773 128.5 29.5 -86.9 -27.6 14.0 -30.3 -5.0 114 126 A Y H < S- 0 0 168 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.673 91.6-136.4-103.1 -26.8 12.1 -30.7 -8.3 115 127 A G < + 0 0 23 -4,-2.6 13,-2.5 -5,-0.4 2,-0.3 0.683 69.4 92.3 75.1 19.7 14.7 -29.4 -10.8 116 128 A E E -F 127 0C 68 -6,-0.4 2,-0.5 11,-0.3 11,-0.2 -0.980 69.8-126.8-144.0 159.4 12.1 -27.4 -12.7 117 129 A L E -F 126 0C 5 9,-2.9 9,-2.3 -2,-0.3 -10,-0.0 -0.910 34.3-122.0-103.7 126.3 10.5 -23.9 -12.9 118 130 A E - 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