==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 27-JUL-07 2QR3 . COMPND 2 MOLECULE: TWO-COMPONENT SYSTEM RESPONSE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,M.MENDOZA,R.ROMERO,R.FONG,D.S . 121 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6699.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 76.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 19.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 8 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 0 A S 0 0 160 0, 0.0 2,-0.5 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 171.3 -14.8 -2.7 28.2 2 1 A L + 0 0 31 23,-0.2 25,-1.0 1,-0.1 3,-0.1 -0.944 360.0 176.1-113.0 122.0 -15.8 0.9 29.2 3 2 A G - 0 0 17 -2,-0.5 24,-1.3 1,-0.2 25,-1.1 0.542 42.0 -15.6 -95.3-123.8 -13.2 3.2 30.5 4 3 A T E -ab 28 47A 17 42,-0.6 44,-3.2 41,-0.3 45,-0.7 -0.592 44.5-167.2 -97.4 142.6 -13.3 6.9 31.5 5 4 A I E -ab 29 49A 0 23,-2.2 25,-2.7 -2,-0.2 2,-0.5 -0.973 10.1-151.4-120.4 141.9 -15.9 9.6 30.8 6 5 A I E -ab 30 50A 0 43,-1.8 45,-2.8 -2,-0.4 2,-0.5 -0.957 6.7-161.7-110.6 130.0 -15.4 13.3 31.4 7 6 A I E -ab 31 51A 0 23,-3.2 25,-2.3 -2,-0.5 2,-0.6 -0.965 4.9-168.7-111.8 126.9 -18.4 15.5 32.2 8 7 A V E +ab 32 52A 1 43,-2.9 45,-2.5 -2,-0.5 2,-0.3 -0.956 24.0 141.5-120.3 114.3 -17.9 19.2 31.7 9 8 A D - 0 0 2 23,-1.9 6,-0.1 -2,-0.6 -2,-0.1 -0.987 49.8-142.0-157.6 144.4 -20.6 21.5 33.0 10 9 A D S S+ 0 0 52 -2,-0.3 2,-0.7 1,-0.1 23,-0.1 0.647 87.4 82.3 -73.6 -20.8 -20.9 24.9 34.8 11 10 A N >> - 0 0 88 1,-0.2 4,-1.9 2,-0.0 3,-0.6 -0.800 63.8-162.6 -99.1 109.0 -23.8 23.6 37.0 12 11 A K H 3> S+ 0 0 129 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.830 90.5 58.1 -63.1 -28.3 -22.4 21.6 40.0 13 12 A G H 3> S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.854 103.4 52.0 -69.4 -34.1 -25.9 20.0 40.5 14 13 A V H <> S+ 0 0 13 -3,-0.6 4,-3.2 2,-0.2 5,-0.3 0.949 110.1 49.7 -66.8 -43.8 -25.8 18.5 37.0 15 14 A L H X S+ 0 0 12 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.928 110.6 49.6 -58.8 -46.9 -22.4 17.1 37.7 16 15 A T H X S+ 0 0 103 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.939 115.2 44.3 -54.6 -48.7 -23.7 15.6 41.0 17 16 A A H X S+ 0 0 34 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.908 115.1 45.6 -66.4 -44.7 -26.7 14.0 39.2 18 17 A V H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 5,-0.2 0.910 110.1 54.2 -72.0 -36.7 -24.8 12.7 36.2 19 18 A Q H X S+ 0 0 51 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.950 110.4 48.1 -57.3 -49.8 -22.0 11.2 38.3 20 19 A L H < S+ 0 0 121 -4,-2.0 4,-0.3 -5,-0.3 -1,-0.2 0.887 113.9 47.0 -58.4 -40.6 -24.6 9.4 40.3 21 20 A L H < S+ 0 0 55 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.831 122.1 33.1 -71.4 -32.6 -26.3 8.1 37.1 22 21 A L H >X S+ 0 0 1 -4,-2.4 3,-2.3 -3,-0.2 4,-2.0 0.623 87.8 97.2-103.7 -16.7 -23.1 7.0 35.4 23 22 A K T 3< S+ 0 0 113 -4,-2.4 -1,-0.2 1,-0.3 -3,-0.1 0.687 88.1 47.2 -40.3 -35.3 -20.9 5.8 38.3 24 23 A N T 34 S+ 0 0 151 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.345 113.6 44.0-104.9 9.1 -21.9 2.2 37.8 25 24 A H T <4 S+ 0 0 94 -3,-2.3 2,-0.2 1,-0.2 -23,-0.2 0.723 106.3 54.4-113.3 -48.2 -21.4 1.9 34.1 26 25 A F S < S- 0 0 6 -4,-2.0 -23,-0.2 1,-0.1 -1,-0.2 -0.603 78.4-128.5 -90.9 152.0 -18.1 3.6 33.4 27 26 A S S S+ 0 0 101 -24,-1.3 2,-0.3 -25,-1.0 -23,-0.2 0.836 95.7 12.8 -65.6 -34.5 -14.9 2.7 35.1 28 27 A K E -a 4 0A 94 -25,-1.1 -23,-2.2 -6,-0.1 2,-0.5 -0.989 63.1-160.6-146.0 135.4 -14.3 6.3 36.1 29 28 A V E -a 5 0A 16 -2,-0.3 2,-0.5 -25,-0.2 -23,-0.2 -0.970 12.6-169.8-117.5 113.9 -16.5 9.4 35.9 30 29 A I E -a 6 0A 26 -25,-2.7 -23,-3.2 -2,-0.5 2,-0.4 -0.906 2.9-170.6-104.3 125.6 -14.6 12.7 36.0 31 30 A T E +a 7 0A 50 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.931 14.6 156.6-115.5 141.6 -16.6 15.8 36.5 32 31 A L E -a 8 0A 14 -25,-2.3 -23,-1.9 -2,-0.4 -2,-0.0 -0.984 36.4-164.4-156.6 164.1 -15.2 19.4 36.1 33 32 A S + 0 0 32 -2,-0.3 24,-0.1 -25,-0.2 -25,-0.1 0.193 66.5 94.4-133.1 10.9 -16.1 23.0 35.4 34 33 A S > - 0 0 40 1,-0.1 4,-2.5 -25,-0.0 5,-0.1 -0.920 61.0-150.0-114.9 128.6 -12.6 24.3 34.6 35 34 A P H > S+ 0 0 50 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.873 104.4 52.5 -55.5 -40.0 -10.9 24.7 31.1 36 35 A V H > S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 -2,-0.0 0.951 110.4 46.0 -64.6 -49.1 -7.5 24.2 32.8 37 36 A S H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.886 108.9 57.7 -54.9 -44.4 -8.7 20.9 34.5 38 37 A L H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.924 103.2 52.3 -55.2 -48.8 -10.2 19.8 31.2 39 38 A S H X S+ 0 0 52 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.931 111.4 47.5 -55.7 -42.1 -6.8 20.1 29.4 40 39 A T H >X S+ 0 0 53 -4,-1.6 4,-2.4 1,-0.2 3,-0.5 0.974 113.3 45.6 -64.8 -52.5 -5.1 17.9 32.0 41 40 A V H 3X S+ 0 0 20 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.860 108.4 56.2 -64.3 -37.1 -7.7 15.1 32.1 42 41 A L H 3< S+ 0 0 13 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.862 114.2 41.3 -59.5 -36.2 -8.0 14.9 28.3 43 42 A R H << S+ 0 0 154 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.893 126.6 29.4 -76.2 -43.8 -4.2 14.3 28.1 44 43 A E H < S+ 0 0 119 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.678 112.6 56.5 -96.0 -23.2 -3.8 11.9 31.0 45 44 A E S < S- 0 0 47 -4,-2.5 -41,-0.3 -5,-0.3 -1,-0.1 0.390 83.4-135.8-102.3 3.7 -7.1 10.0 31.4 46 45 A N - 0 0 135 -4,-0.3 -42,-0.6 -5,-0.2 -4,-0.1 0.904 32.1-156.5 41.3 58.1 -7.7 8.3 28.0 47 46 A P E -b 4 0A 20 0, 0.0 -42,-0.2 0, 0.0 -1,-0.1 -0.301 20.7-156.3 -65.1 147.2 -11.3 9.3 27.9 48 47 A E E S- 0 0 61 -44,-3.2 2,-0.3 1,-0.3 -43,-0.2 0.646 77.9 -3.4 -91.7 -21.3 -13.8 7.3 25.8 49 48 A V E -b 5 0A 0 -45,-0.7 -43,-1.8 27,-0.1 2,-0.4 -0.959 61.0-142.1-164.0 154.3 -16.3 10.1 25.5 50 49 A V E -bc 6 78A 0 27,-1.7 29,-3.1 -2,-0.3 2,-0.6 -0.996 8.0-151.7-122.4 131.7 -16.8 13.7 26.8 51 50 A L E -bc 7 79A 0 -45,-2.8 -43,-2.9 -2,-0.4 2,-0.5 -0.941 25.0-163.5-100.5 115.4 -20.3 15.1 27.8 52 51 A L E -bc 8 80A 0 27,-3.0 29,-2.7 -2,-0.6 -43,-0.2 -0.904 19.0-126.0-116.1 119.4 -20.0 18.8 27.1 53 52 A D E > - c 0 81A 5 -45,-2.5 3,-1.9 -2,-0.5 29,-0.2 -0.330 16.7-139.0 -56.1 125.4 -22.3 21.6 28.4 54 53 A M T 3 S+ 0 0 2 27,-2.6 8,-2.7 1,-0.3 9,-0.4 0.775 105.5 42.4 -59.2 -27.6 -23.6 23.7 25.5 55 54 A N T > S+ 0 0 42 26,-0.3 3,-2.2 6,-0.2 -1,-0.3 0.139 79.6 158.3-108.7 16.6 -23.1 26.8 27.6 56 55 A F T < S+ 0 0 0 -3,-1.9 9,-0.2 1,-0.3 -23,-0.0 -0.195 76.5 2.6 -48.0 126.7 -19.7 25.8 29.1 57 56 A T T 3 0 0 56 1,-0.2 -1,-0.3 -24,-0.1 -24,-0.0 0.702 360.0 360.0 65.8 26.2 -18.0 29.1 30.4 58 57 A S < 0 0 98 -3,-2.2 -1,-0.2 0, 0.0 3,-0.1 -0.369 360.0 360.0 -69.0 360.0 -21.0 31.2 29.3 59 ! 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 60 63 A N 0 0 150 0, 0.0 2,-0.1 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 122.3 -17.4 31.4 23.3 61 64 A E > - 0 0 73 -3,-0.1 4,-2.1 -7,-0.0 -6,-0.2 -0.238 360.0 -23.9-136.8-135.7 -19.3 28.5 24.6 62 65 A G H > S+ 0 0 0 -8,-2.7 4,-2.6 1,-0.2 5,-0.2 0.863 129.3 52.1 -55.2 -43.1 -20.0 24.8 23.8 63 66 A L H > S+ 0 0 21 -9,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.912 108.9 51.0 -65.8 -40.7 -19.3 25.1 20.1 64 67 A F H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.947 113.2 45.0 -55.9 -49.8 -15.9 26.7 20.8 65 68 A W H X S+ 0 0 48 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.862 109.1 55.9 -67.6 -35.1 -14.9 23.9 23.2 66 69 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.943 109.9 47.5 -57.8 -44.4 -16.2 21.2 20.9 67 70 A H H X S+ 0 0 99 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.902 111.6 48.3 -67.1 -40.9 -13.9 22.6 18.2 68 71 A E H X S+ 0 0 60 -4,-2.0 4,-1.3 2,-0.2 5,-0.2 0.912 111.9 49.1 -70.9 -40.2 -10.8 22.8 20.5 69 72 A I H X S+ 0 0 4 -4,-2.6 4,-3.0 1,-0.2 3,-0.4 0.948 113.0 47.2 -61.0 -46.7 -11.3 19.3 21.8 70 73 A K H < S+ 0 0 43 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.817 103.8 63.7 -67.5 -27.2 -11.6 17.9 18.3 71 74 A R H < S+ 0 0 159 -4,-1.8 3,-0.3 -5,-0.2 -1,-0.2 0.914 118.5 24.3 -60.4 -43.6 -8.6 19.9 17.1 72 75 A Q H < S+ 0 0 136 -4,-1.3 2,-0.5 -3,-0.4 -2,-0.2 0.788 132.5 37.3 -91.6 -35.8 -6.3 18.0 19.5 73 76 A Y >< + 0 0 60 -4,-3.0 3,-1.8 -5,-0.2 -1,-0.2 -0.683 67.2 174.4-121.8 76.2 -8.3 14.7 19.9 74 77 A R T 3 S+ 0 0 194 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.1 0.790 79.1 41.9 -58.1 -31.9 -9.8 14.1 16.5 75 78 A D T 3 S+ 0 0 147 2,-0.1 -1,-0.3 -5,-0.0 -5,-0.1 0.391 84.0 111.0-100.0 5.7 -11.2 10.7 17.4 76 79 A L < - 0 0 15 -3,-1.8 2,-0.1 -7,-0.2 -27,-0.1 -0.685 69.7-127.3 -83.9 114.9 -12.6 11.5 20.9 77 80 A P - 0 0 25 0, 0.0 -27,-1.7 0, 0.0 2,-0.5 -0.455 23.9-164.2 -62.9 133.3 -16.4 11.4 20.8 78 81 A V E -c 50 0A 0 19,-0.3 21,-2.4 -29,-0.2 22,-0.9 -0.989 3.5-165.3-120.6 123.8 -18.0 14.6 22.2 79 82 A V E -cd 51 100A 0 -29,-3.1 -27,-3.0 -2,-0.5 22,-0.2 -0.948 17.0-136.4-108.2 125.5 -21.7 14.6 23.1 80 83 A L E -cd 52 101A 0 20,-2.1 22,-2.5 -2,-0.5 2,-0.6 -0.604 5.9-149.4 -81.6 142.8 -23.3 18.1 23.6 81 84 A F E -cd 53 102A 1 -29,-2.7 -27,-2.6 -2,-0.2 2,-0.4 -0.960 29.9-177.9-115.5 112.1 -25.6 18.5 26.7 82 85 A T E - d 0 103A 0 20,-2.6 22,-3.0 -2,-0.6 2,-0.1 -0.919 29.8-132.9-127.2 134.6 -28.1 21.2 25.6 83 86 A A E > - d 0 104A 33 -2,-0.4 3,-1.9 20,-0.2 4,-0.1 -0.432 39.4-109.7 -64.7 155.8 -31.1 23.0 27.1 84 87 A Y G > S+ 0 0 146 20,-1.0 3,-1.6 1,-0.3 4,-0.2 0.867 119.6 63.5 -55.1 -33.6 -34.2 23.1 24.8 85 88 A A G 3 S+ 0 0 89 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.663 106.5 44.5 -67.9 -13.8 -33.5 26.8 24.3 86 89 A D G X> S+ 0 0 30 -3,-1.9 4,-1.7 1,-0.1 3,-0.9 0.244 73.4 114.4-112.4 15.7 -30.2 25.9 22.7 87 90 A I H <> S+ 0 0 75 -3,-1.6 4,-2.6 1,-0.3 5,-0.2 0.802 74.5 59.6 -61.7 -29.1 -31.3 23.0 20.4 88 91 A D H 3> S+ 0 0 109 -4,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.901 107.4 46.6 -60.2 -41.6 -30.5 25.1 17.2 89 92 A L H <> S+ 0 0 48 -3,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.857 109.4 54.0 -71.0 -32.4 -26.9 25.3 18.5 90 93 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.936 108.3 49.5 -65.1 -43.6 -26.8 21.5 19.3 91 94 A V H X S+ 0 0 66 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.922 110.2 50.5 -60.6 -43.2 -27.9 20.8 15.7 92 95 A R H X S+ 0 0 125 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.908 106.0 57.7 -61.3 -38.2 -25.1 23.1 14.5 93 96 A G H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 -2,-0.2 0.903 103.8 50.5 -53.9 -46.9 -22.8 21.1 16.8 94 97 A I H ><5S+ 0 0 70 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.925 109.7 51.3 -57.3 -46.8 -23.6 17.9 14.9 95 98 A K H 3<5S+ 0 0 171 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.851 109.7 50.9 -57.4 -32.1 -22.9 19.7 11.6 96 99 A E T 3<5S- 0 0 83 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.221 133.6 -84.7 -98.2 9.7 -19.5 20.8 13.1 97 100 A G T < 5S+ 0 0 39 -3,-1.6 -19,-0.3 1,-0.3 -3,-0.2 0.464 72.8 149.3 107.7 4.9 -18.6 17.2 14.2 98 101 A A < - 0 0 8 -5,-2.7 -1,-0.3 -6,-0.1 -19,-0.2 -0.416 46.1-134.4 -57.7 144.2 -20.2 16.5 17.6 99 102 A S - 0 0 59 -21,-2.4 2,-0.3 1,-0.2 -20,-0.2 0.818 69.7 -39.0 -73.5 -33.2 -21.0 12.8 18.0 100 103 A D E -d 79 0A 66 -22,-0.9 -20,-2.1 2,-0.0 2,-0.3 -0.941 56.0-125.8-171.8 177.1 -24.5 13.3 19.4 101 104 A F E -d 80 0A 56 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.988 4.9-155.8-143.5 156.9 -26.5 15.5 21.8 102 105 A V E -d 81 0A 8 -22,-2.5 -20,-2.6 -2,-0.3 2,-0.3 -0.992 21.2-135.7-127.8 132.6 -28.7 15.0 24.8 103 106 A V E -d 82 0A 28 -2,-0.4 -20,-0.2 -22,-0.2 4,-0.2 -0.673 27.4-101.8 -92.0 146.3 -31.3 17.6 25.7 104 107 A K E S+d 83 0A 36 -22,-3.0 -20,-1.0 -2,-0.3 2,-0.1 -0.907 108.1 50.6-104.8 142.1 -31.9 18.9 29.3 105 108 A P S S- 0 0 109 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.506 99.4-162.4 -65.7 138.0 -34.1 18.1 31.2 106 109 A W - 0 0 65 -2,-0.1 2,-0.5 -4,-0.1 -2,-0.1 -0.381 23.7-118.9 -91.5 166.3 -32.9 14.7 30.2 107 110 A D > - 0 0 100 -4,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.924 26.9-135.7 -99.5 131.8 -34.4 11.2 30.4 108 111 A N H > S+ 0 0 90 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.911 101.4 42.6 -60.0 -45.8 -32.1 9.0 32.5 109 112 A Q H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 114.0 51.4 -69.0 -40.5 -32.0 6.0 30.3 110 113 A K H > S+ 0 0 142 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.879 108.5 52.9 -59.6 -40.8 -31.7 8.0 27.1 111 114 A L H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.958 112.4 43.8 -60.9 -49.4 -28.7 9.9 28.6 112 115 A L H X S+ 0 0 11 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.931 114.5 50.0 -60.8 -47.2 -26.9 6.6 29.5 113 116 A E H X S+ 0 0 96 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.883 109.1 50.3 -62.1 -43.0 -27.8 5.1 26.1 114 117 A T H X S+ 0 0 18 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.892 113.9 46.3 -59.4 -42.1 -26.5 8.1 24.1 115 118 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.920 112.6 48.3 -73.4 -43.6 -23.2 8.0 26.0 116 119 A L H X S+ 0 0 43 -4,-3.1 4,-0.7 1,-0.2 -2,-0.2 0.940 114.1 47.5 -58.8 -46.9 -22.7 4.3 25.8 117 120 A N H >< S+ 0 0 98 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.912 111.4 50.3 -60.4 -42.0 -23.4 4.4 22.0 118 121 A A H >< S+ 0 0 7 -4,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.872 114.4 44.5 -63.9 -35.2 -21.1 7.4 21.6 119 122 A A H 3< S+ 0 0 18 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.488 111.6 57.8 -83.8 -9.5 -18.3 5.5 23.4 120 123 A S T << S+ 0 0 74 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.2 -0.268 71.7 131.1-119.9 42.0 -19.1 2.3 21.5 121 124 A Q < 0 0 145 -3,-0.5 -3,-0.0 1,-0.1 -4,-0.0 -0.715 360.0 360.0 -91.8 150.8 -18.6 3.4 17.9 122 125 A A 0 0 157 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.954 360.0 360.0 -54.0 360.0 -16.5 1.2 15.5