==== 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 REGULATOR 24-OCT-08 3F0C . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: CYTOPHAGA HUTCHINSONII; . AUTHOR B.NOCEK,N.MALTSEVA,K.TAN,J.ABDULLAH,W.ESCHENFELDT,A.JOACHIMI . 193 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 79.3 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 . 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 . 1 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 1 0 0 0 0 0 0 0 1 0 0 1 0 0 1 1 1 0 0 0 1 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 . 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 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 10 A D 0 0 200 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -58.3 51.1 29.3 -3.3 2 11 A G > + 0 0 31 2,-0.1 4,-1.3 1,-0.1 5,-0.1 -0.121 360.0 111.1-118.6 30.6 49.4 32.7 -3.0 3 12 A K H > S+ 0 0 113 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.815 72.2 64.5 -68.0 -35.9 46.0 31.3 -3.8 4 13 A L H > S+ 0 0 68 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.975 99.2 51.3 -42.6 -56.6 45.2 32.1 -0.3 5 14 A E H > S+ 0 0 96 1,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.886 109.5 50.5 -56.3 -44.5 45.7 35.7 -1.2 6 15 A L H X S+ 0 0 102 -4,-1.3 4,-2.3 2,-0.2 -1,-0.3 0.919 111.3 47.7 -54.8 -46.8 43.3 35.2 -4.1 7 16 A I H X S+ 0 0 1 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.959 112.1 49.7 -66.0 -44.3 40.7 33.7 -1.8 8 17 A I H X S+ 0 0 16 -4,-3.4 4,-2.8 -5,-0.2 -1,-0.2 0.905 112.7 47.0 -55.1 -42.6 41.2 36.5 0.7 9 18 A N H X S+ 0 0 65 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.945 111.4 49.7 -70.1 -45.7 40.7 39.2 -2.1 10 19 A A H X S+ 0 0 15 -4,-2.3 4,-2.3 1,-0.2 3,-0.3 0.968 113.5 48.2 -47.2 -59.7 37.7 37.5 -3.6 11 20 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.2 5,-0.3 0.894 106.8 56.6 -53.0 -48.3 36.2 37.3 -0.1 12 21 A Q H X S+ 0 0 34 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.902 109.4 45.2 -51.6 -49.1 37.1 41.0 0.7 13 22 A K H X S+ 0 0 151 -4,-2.4 4,-2.4 -3,-0.3 5,-0.3 0.911 112.4 50.7 -64.2 -45.5 35.1 42.2 -2.3 14 23 A R H X>S+ 0 0 53 -4,-2.3 4,-3.2 1,-0.2 5,-0.7 0.932 114.4 43.4 -57.9 -48.6 32.1 40.0 -1.6 15 24 A F H X5S+ 0 0 1 -4,-2.7 4,-1.2 3,-0.2 -1,-0.2 0.880 111.5 55.2 -68.5 -35.5 31.9 41.1 1.9 16 25 A A H <5S+ 0 0 18 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.911 119.6 32.3 -61.3 -41.5 32.5 44.7 0.9 17 26 A H H <5S+ 0 0 137 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.851 140.5 10.8 -83.3 -39.6 29.5 44.6 -1.5 18 27 A Y H <5S- 0 0 135 -4,-3.2 4,-0.4 -5,-0.3 -3,-0.2 0.625 95.2-128.0-119.5 -19.9 27.2 42.2 0.1 19 28 A G << - 0 0 3 -4,-1.2 4,-0.5 -5,-0.7 -1,-0.2 -0.280 35.1 -69.7 87.7-179.5 28.4 41.5 3.7 20 29 A L S S+ 0 0 50 77,-0.4 -1,-0.1 76,-0.3 77,-0.1 0.817 121.4 48.8 -82.9 -40.4 29.0 38.2 5.6 21 30 A C S S+ 0 0 113 76,-0.2 -2,-0.1 1,-0.2 -1,-0.1 0.979 114.7 40.2 -74.3 -55.4 25.5 36.9 6.0 22 31 A K S S+ 0 0 178 -4,-0.4 -1,-0.2 -7,-0.1 -2,-0.2 0.726 102.1 93.8 -63.6 -22.3 24.2 37.2 2.5 23 32 A T - 0 0 2 -4,-0.5 2,-0.4 -5,-0.1 3,-0.1 -0.390 63.3-153.9 -77.3 151.9 27.6 36.0 1.2 24 33 A T > - 0 0 54 1,-0.1 4,-2.2 -2,-0.1 3,-0.3 -0.943 26.7-134.2-133.9 141.5 28.2 32.3 0.5 25 34 A X H > S+ 0 0 10 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.911 111.9 56.9 -61.1 -34.0 31.2 29.9 0.3 26 35 A N H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 107.4 50.1 -62.6 -34.8 29.8 28.6 -3.0 27 36 A E H > S+ 0 0 68 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.959 110.2 47.1 -63.8 -51.8 30.0 32.1 -4.3 28 37 A I H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.858 110.8 53.3 -62.2 -37.5 33.6 32.7 -3.2 29 38 A A H X>S+ 0 0 4 -4,-2.4 5,-1.8 -5,-0.2 4,-1.4 0.988 107.5 51.0 -58.6 -57.3 34.6 29.5 -4.7 30 39 A S H ><5S+ 0 0 91 -4,-2.2 3,-0.6 3,-0.2 -2,-0.2 0.882 107.9 55.0 -41.2 -46.2 33.0 30.5 -8.0 31 40 A D H 3<5S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.938 113.4 37.4 -63.7 -51.2 34.9 33.8 -7.9 32 41 A V H 3<5S- 0 0 34 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.542 116.6-114.7 -74.9 -7.7 38.4 32.2 -7.5 33 42 A G T <<5S+ 0 0 64 -4,-1.4 -3,-0.2 -3,-0.6 2,-0.2 0.941 77.1 109.6 72.6 46.8 37.3 29.4 -9.9 34 43 A X < - 0 0 49 -5,-1.8 2,-0.3 -6,-0.1 -1,-0.1 -0.392 66.0-103.2-126.6-153.8 37.5 26.6 -7.4 35 44 A G >> - 0 0 28 -2,-0.2 3,-3.7 1,-0.1 4,-1.8 -0.994 30.1-111.4-144.3 136.9 35.1 24.3 -5.6 36 45 A K H 3> S+ 0 0 69 -2,-0.3 4,-3.1 1,-0.3 5,-0.2 0.802 120.0 63.1 -31.5 -43.0 34.0 24.4 -2.0 37 46 A A H 3> S+ 0 0 91 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.878 110.3 37.5 -53.4 -40.6 36.0 21.2 -1.7 38 47 A S H X> S+ 0 0 48 -3,-3.7 3,-0.9 2,-0.2 4,-0.7 0.898 113.1 56.1 -78.3 -43.9 39.1 23.1 -2.5 39 48 A L H >X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.3 3,-1.9 0.916 100.3 59.9 -53.9 -47.3 38.1 26.3 -0.6 40 49 A Y H 3< S+ 0 0 97 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.778 91.6 68.1 -58.5 -27.4 37.7 24.3 2.6 41 50 A Y H << S+ 0 0 189 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.884 114.6 29.3 -52.8 -37.5 41.4 23.3 2.3 42 51 A Y H << S+ 0 0 54 -3,-1.9 -2,-0.2 -4,-0.7 -1,-0.2 0.854 137.8 17.6 -90.0 -42.7 42.1 27.0 3.0 43 52 A F < - 0 0 12 -4,-2.9 -1,-0.3 -5,-0.1 3,-0.1 -0.995 49.6-174.3-136.9 131.0 39.0 27.8 5.1 44 53 A P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.150 77.6 36.6-106.2 16.9 36.6 25.5 6.9 45 54 A D S > S- 0 0 66 1,-0.1 4,-1.7 -20,-0.0 3,-0.3 -0.906 71.6-129.2-168.4 137.9 34.2 28.3 8.0 46 55 A K H > S+ 0 0 49 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.839 111.7 57.3 -57.0 -34.4 32.8 31.5 6.6 47 56 A E H > S+ 0 0 97 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.914 103.0 52.3 -63.8 -44.5 33.8 33.2 9.9 48 57 A T H > S+ 0 0 51 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.901 110.5 47.7 -57.8 -45.8 37.5 32.2 9.5 49 58 A L H >X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 3,-0.8 0.965 109.2 54.3 -60.8 -52.3 37.7 33.7 6.0 50 59 A F H 3X S+ 0 0 4 -4,-2.6 4,-2.2 1,-0.3 -2,-0.2 0.943 106.1 51.8 -46.9 -52.1 36.0 36.8 7.3 51 60 A E H 3X S+ 0 0 50 -4,-2.9 4,-3.4 2,-0.2 -1,-0.3 0.858 107.2 53.4 -54.7 -35.2 38.8 37.1 10.0 52 61 A A H < S+ 0 0 161 -4,-1.6 3,-1.0 2,-0.2 -2,-0.2 0.995 113.2 43.4 -58.2 -59.7 54.0 55.5 4.3 68 77 A I H >< S+ 0 0 18 -4,-2.4 3,-1.2 1,-0.3 5,-0.4 0.864 115.3 50.2 -49.1 -44.0 52.8 58.6 6.2 69 78 A L H 3< S+ 0 0 63 -4,-3.0 3,-0.4 1,-0.3 -1,-0.3 0.723 112.9 44.5 -74.5 -25.3 55.5 58.0 8.8 70 79 A N T << S+ 0 0 136 -4,-1.6 -1,-0.3 -3,-1.0 -2,-0.2 0.061 95.2 81.6-103.1 20.6 58.3 57.6 6.3 71 80 A S S < S- 0 0 66 -3,-1.2 -1,-0.2 -4,-0.1 -2,-0.2 0.432 92.5-135.4-100.9 -5.5 57.0 60.7 4.4 72 81 A G + 0 0 62 -3,-0.4 2,-0.2 -4,-0.1 -3,-0.1 0.886 49.4 144.7 45.6 57.5 58.7 63.1 6.8 73 82 A I - 0 0 57 -5,-0.4 -1,-0.1 1,-0.2 -2,-0.1 -0.490 57.6 -77.4 -97.8-178.4 56.0 65.7 7.4 74 83 A D > - 0 0 73 -2,-0.2 4,-1.9 1,-0.1 -1,-0.2 -0.180 41.8 -98.8 -82.5 176.8 55.9 67.2 11.0 75 84 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.937 124.2 47.2 -56.6 -48.8 54.4 65.7 14.2 76 85 A T H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.960 110.6 49.3 -56.9 -56.5 51.2 67.6 13.7 77 86 A A H > S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.817 113.7 49.0 -55.1 -33.8 50.7 66.8 10.0 78 87 A L H X S+ 0 0 4 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.939 108.3 52.1 -70.3 -48.7 51.3 63.1 10.9 79 88 A L H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.901 114.5 43.1 -55.9 -42.8 48.8 63.1 13.7 80 89 A K H X S+ 0 0 111 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.925 111.2 53.1 -70.4 -43.8 46.2 64.5 11.5 81 90 A K H X S+ 0 0 107 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.844 109.5 52.9 -60.8 -30.3 47.0 62.2 8.6 82 91 A Y H X S+ 0 0 0 -4,-2.6 4,-3.8 2,-0.2 5,-0.3 0.924 104.3 52.3 -68.3 -49.5 46.6 59.4 11.1 83 92 A V H X S+ 0 0 4 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.940 110.7 49.2 -53.9 -47.3 43.2 60.5 12.3 84 93 A K H X S+ 0 0 123 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.898 114.2 45.7 -57.1 -40.9 42.1 60.5 8.6 85 94 A L H X S+ 0 0 26 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.929 111.6 50.2 -74.7 -43.1 43.5 57.1 8.1 86 95 A R H X S+ 0 0 19 -4,-3.8 4,-2.0 1,-0.2 -1,-0.2 0.909 110.9 52.1 -58.0 -42.0 42.1 55.7 11.3 87 96 A S H X S+ 0 0 9 -4,-2.8 4,-1.8 -5,-0.3 -1,-0.2 0.907 108.7 48.9 -58.5 -45.2 38.7 57.1 10.2 88 97 A L H X S+ 0 0 75 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.841 107.2 55.8 -70.5 -34.3 38.9 55.5 6.8 89 98 A H H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.955 105.4 51.7 -56.9 -49.4 39.8 52.2 8.3 90 99 A F H X S+ 0 0 6 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.916 107.9 53.5 -56.2 -42.6 36.7 52.3 10.4 91 100 A R H X S+ 0 0 102 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.925 106.4 51.4 -55.5 -51.3 34.8 53.0 7.3 92 101 A H H X S+ 0 0 58 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.930 111.1 48.2 -53.3 -49.1 36.2 49.9 5.6 93 102 A L H X S+ 0 0 26 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.874 109.5 50.0 -63.0 -43.4 35.2 47.6 8.5 94 103 A L H X S+ 0 0 32 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.850 110.4 52.8 -62.9 -33.4 31.6 48.9 8.8 95 104 A N H < S+ 0 0 73 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.822 114.1 41.6 -73.8 -32.5 31.3 48.3 5.0 96 105 A L H < S+ 0 0 4 -4,-1.7 -76,-0.3 -5,-0.2 -2,-0.2 0.824 122.7 38.1 -77.3 -33.6 32.5 44.7 5.3 97 106 A S H < + 0 0 7 -4,-2.3 -77,-0.4 -5,-0.1 -76,-0.2 0.918 61.4 174.7 -93.8 -49.3 30.6 43.8 8.6 98 107 A K < + 0 0 84 -4,-1.7 2,-0.3 -5,-0.2 -78,-0.1 0.892 61.6 60.2 35.6 69.8 27.1 45.4 8.6 99 108 A L S S- 0 0 76 -5,-0.1 3,-0.3 67,-0.0 4,-0.3 -0.885 110.4 -46.7-178.7-149.9 26.1 43.7 11.9 100 109 A R S S+ 0 0 57 -2,-0.3 -2,-0.1 1,-0.2 -3,-0.0 -0.162 87.1 117.6-101.7 37.7 26.9 43.3 15.5 101 110 A S S S+ 0 0 25 1,-0.1 5,-0.2 4,-0.1 -1,-0.2 0.944 87.1 26.7 -68.3 -49.8 30.6 42.8 14.8 102 111 A D 0 0 70 -3,-0.3 -1,-0.1 3,-0.1 -2,-0.1 0.842 360.0 360.0 -80.3 -35.6 31.8 45.9 16.7 103 112 A F 0 0 86 -4,-0.3 -1,-0.1 59,-0.0 59,-0.0 -0.716 360.0 360.0 -93.2 360.0 28.8 46.1 19.2 104 ! 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 0.0 105 116 A T 0 0 102 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 82.1 31.7 41.3 19.5 106 117 A K > - 0 0 96 -5,-0.2 4,-1.2 1,-0.0 5,-0.0 -0.266 360.0 -91.5-112.0-170.7 32.9 37.6 19.9 107 118 A P H > S+ 0 0 86 0, 0.0 4,-1.5 0, 0.0 -1,-0.0 0.968 121.4 48.7 -79.3 -44.7 36.0 36.2 21.7 108 119 A V H >> S+ 0 0 60 1,-0.2 4,-2.2 2,-0.2 3,-0.8 0.939 115.2 44.6 -48.5 -57.1 38.4 36.2 18.7 109 120 A F H 3> S+ 0 0 43 1,-0.3 4,-2.7 2,-0.3 5,-0.3 0.822 100.3 70.3 -63.5 -33.9 37.5 39.8 17.8 110 121 A A H 3X S+ 0 0 49 -4,-1.2 4,-1.8 1,-0.2 -1,-0.3 0.945 109.2 35.9 -39.5 -52.2 37.8 40.5 21.5 111 122 A K H X S+ 0 0 35 -4,-3.0 4,-1.6 1,-0.2 3,-0.8 0.968 114.7 46.4 -50.1 -47.9 52.0 54.2 16.8 124 135 A V H 3X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.3 3,-0.4 0.926 105.8 56.8 -63.8 -41.0 50.6 57.3 18.3 125 136 A A H 3X S+ 0 0 4 -4,-3.1 4,-2.5 1,-0.3 -1,-0.3 0.834 106.4 54.7 -57.5 -27.5 53.0 57.4 21.2 126 137 A G H S+ 0 0 0 -4,-3.0 5,-2.3 2,-0.2 6,-1.2 0.906 109.8 50.9 -49.2 -48.0 56.7 65.8 18.3 132 143 A I H ><5S+ 0 0 30 -4,-3.1 3,-1.1 3,-0.2 -2,-0.2 0.985 118.7 35.9 -56.2 -59.4 58.4 66.0 21.8 133 144 A T H 3<5S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.942 116.6 51.9 -64.8 -48.5 61.9 65.7 20.3 134 145 A T H 3<5S- 0 0 54 -4,-4.0 -1,-0.3 -5,-0.2 -2,-0.2 0.640 115.0-128.2 -55.6 -16.5 61.0 67.8 17.2 135 146 A K T <<5S+ 0 0 176 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.637 79.3 115.1 74.4 21.6 59.8 70.1 20.0 136 147 A E S - 0 0 90 1,-0.2 4,-2.2 -2,-0.1 5,-0.3 -0.952 49.2-164.2 -95.3 104.4 53.4 61.7 29.2 142 153 A K H > S+ 0 0 89 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.865 85.1 49.8 -50.9 -39.2 53.6 60.5 25.7 143 154 A H H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.922 107.5 48.6 -77.8 -43.6 51.8 57.4 26.7 144 155 A E H > S+ 0 0 134 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.963 116.0 45.6 -56.9 -54.1 48.9 58.9 28.6 145 156 A N H X S+ 0 0 28 -4,-2.2 4,-2.8 2,-0.2 3,-0.3 0.945 108.2 56.6 -50.7 -55.6 48.2 61.3 25.8 146 157 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.3 -1,-0.2 0.898 110.3 44.9 -43.8 -57.1 48.5 58.6 23.1 147 158 A E H X S+ 0 0 78 -4,-2.2 4,-3.4 2,-0.2 -1,-0.3 0.832 110.7 55.6 -50.6 -43.5 45.8 56.5 24.9 148 159 A F H X S+ 0 0 122 -4,-1.9 4,-3.2 -3,-0.3 -2,-0.2 0.965 109.3 44.1 -63.5 -50.5 43.7 59.5 25.3 149 160 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.943 115.2 49.3 -58.0 -46.9 43.7 60.4 21.6 150 161 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.969 115.5 43.3 -60.2 -50.3 43.1 56.8 20.7 151 162 A H H X S+ 0 0 66 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.855 109.4 57.5 -61.0 -39.3 40.2 56.5 23.2 152 163 A L H X S+ 0 0 57 -4,-3.2 4,-1.6 -5,-0.2 -1,-0.2 0.956 110.3 44.2 -56.9 -49.2 38.8 59.9 22.2 153 164 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.926 110.0 54.7 -64.7 -40.3 38.5 58.7 18.6 154 165 A L H X S+ 0 0 17 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.887 105.4 54.8 -61.5 -32.6 37.1 55.3 19.7 155 166 A G H X S+ 0 0 25 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.889 102.8 55.0 -70.3 -38.1 34.3 57.2 21.6 156 167 A V H X S+ 0 0 23 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.951 111.9 45.2 -56.6 -46.6 33.3 59.1 18.5 157 168 A R H X S+ 0 0 14 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.880 113.3 49.4 -66.2 -35.2 32.9 55.8 16.8 158 169 A X H < S+ 0 0 113 -4,-2.3 5,-0.3 -5,-0.2 -2,-0.2 0.919 110.5 47.7 -74.1 -41.4 31.0 54.3 19.6 159 170 A V H X S+ 0 0 92 -4,-3.0 4,-0.8 1,-0.2 -1,-0.2 0.870 108.1 57.4 -64.3 -37.8 28.5 57.1 20.2 160 171 A K H X S+ 0 0 14 -4,-1.9 4,-0.6 -5,-0.3 -1,-0.2 0.785 106.0 57.3 -68.9 -30.4 27.8 57.2 16.4 161 172 A L H < S+ 0 0 34 -4,-1.2 2,-2.6 2,-0.2 4,-0.1 -0.546 103.1 36.0 -92.7 176.5 26.8 53.5 16.5 162 173 A K H 4 S+ 0 0 199 2,-0.5 -2,-0.1 -2,-0.2 -1,-0.1 -0.524 114.9 69.3 67.6 -60.6 24.1 52.4 18.9 163 174 A Y H < S+ 0 0 194 -2,-2.6 -2,-0.2 -4,-0.8 2,-0.2 0.779 112.2 22.0 -37.6 -45.0 23.0 55.9 17.6 164 175 A K S < S- 0 0 25 -4,-0.6 -2,-0.5 5,-0.0 2,-0.3 -0.503 79.1-125.8-119.9-170.9 22.4 54.3 14.1 165 176 A E - 0 0 53 3,-2.4 -67,-0.0 -2,-0.2 -2,-0.0 -0.929 33.0 -97.2-138.6 162.0 21.8 50.9 12.7 166 177 A I S S+ 0 0 76 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.894 127.7 22.3 -42.0 -52.3 23.3 48.6 10.0 167 178 A N S S+ 0 0 96 1,-0.2 2,-3.0 -3,-0.0 -1,-0.2 0.906 111.5 72.3 -84.0 -47.4 20.7 49.8 7.5 168 179 A D S S+ 0 0 62 1,-0.0 -3,-2.4 2,-0.0 2,-0.2 -0.468 76.9 109.9 -71.8 77.8 19.8 53.1 9.1 169 180 A F - 0 0 37 -2,-3.0 2,-0.1 -5,-0.2 -1,-0.0 -0.759 47.0-170.8-155.7 110.9 23.2 54.6 8.0 170 181 A D - 0 0 91 -2,-0.2 4,-0.5 1,-0.1 -2,-0.0 -0.190 40.1-102.6 -90.5-174.9 23.6 57.2 5.3 171 182 A E S >> S+ 0 0 133 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.752 123.7 57.9 -80.7 -26.2 26.6 58.7 3.5 172 183 A S H 3> S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.720 91.9 71.8 -72.3 -23.6 26.3 61.8 5.7 173 184 A D H 3> S+ 0 0 38 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.842 102.5 41.4 -59.3 -33.6 26.7 59.4 8.6 174 185 A Y H <> S+ 0 0 54 -3,-0.5 4,-2.5 -4,-0.5 5,-0.3 0.846 106.7 59.4 -83.4 -36.7 30.4 59.0 7.7 175 186 A E H X S+ 0 0 111 -4,-1.4 4,-3.1 2,-0.2 -2,-0.2 0.934 108.3 50.4 -53.6 -39.5 30.9 62.7 7.0 176 187 A D H X S+ 0 0 89 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.993 109.8 46.6 -58.0 -68.4 29.8 63.0 10.6 177 188 A L H X S+ 0 0 5 -4,-1.9 4,-2.5 1,-0.2 3,-0.4 0.920 117.6 44.3 -36.1 -67.4 32.3 60.4 12.0 178 189 A D H X S+ 0 0 54 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.901 113.5 48.6 -51.1 -51.0 35.1 61.9 10.0 179 190 A K H X S+ 0 0 148 -4,-3.1 4,-1.8 -5,-0.3 -1,-0.2 0.875 113.6 47.9 -63.0 -36.6 34.3 65.5 10.8 180 191 A N H X S+ 0 0 53 -4,-2.9 4,-2.4 -3,-0.4 -1,-0.2 0.908 104.2 58.6 -63.6 -48.9 34.0 64.8 14.5 181 192 A X H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.776 107.4 49.8 -55.8 -26.3 37.2 62.8 14.7 182 193 A C H X S+ 0 0 50 -4,-1.3 4,-4.3 -5,-0.2 5,-0.4 0.972 104.1 55.6 -72.6 -59.0 39.0 65.9 13.4 183 194 A K H X S+ 0 0 154 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.898 113.6 43.9 -34.2 -55.0 37.4 68.2 16.0 184 195 A V H X S+ 0 0 26 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.966 114.6 48.0 -60.1 -58.3 38.8 65.9 18.6 185 196 A A H X S+ 0 0 5 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.929 112.1 51.3 -39.9 -58.5 42.3 65.6 16.8 186 197 A G H X S+ 0 0 40 -4,-4.3 4,-1.4 1,-0.2 -1,-0.2 0.905 112.4 44.8 -49.3 -46.3 42.3 69.4 16.5 187 198 A X H X S+ 0 0 145 -4,-2.4 4,-1.2 -5,-0.4 -2,-0.2 0.905 110.3 53.7 -70.9 -41.7 41.6 69.9 20.2 188 199 A F H >< S+ 0 0 10 -4,-3.0 3,-0.7 1,-0.2 4,-0.5 0.920 104.3 56.7 -56.2 -45.2 44.1 67.2 21.3 189 200 A L H >X S+ 0 0 14 -4,-2.7 4,-2.1 1,-0.3 3,-2.0 0.919 104.7 51.3 -56.3 -43.1 46.8 69.0 19.3 190 201 A K H 3< S+ 0 0 148 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.747 99.5 64.7 -70.7 -20.4 46.2 72.2 21.2 191 202 A E T << S+ 0 0 153 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.601 123.1 17.3 -73.7 -9.3 46.5 70.4 24.4 192 203 A I T <4 S+ 0 0 7 -3,-2.0 -54,-1.5 -4,-0.5 -2,-0.2 0.484 85.2 112.2-137.1 -2.2 50.2 69.7 23.4 193 204 A Q < 0 0 99 -4,-2.1 -3,-0.1 -56,-0.2 -2,-0.1 0.617 360.0 360.0 -50.0 -16.8 51.2 72.1 20.6 194 205 A T 0 0 88 -4,-0.2 -1,-0.1 -56,-0.1 -2,-0.1 0.548 360.0 360.0 92.2 360.0 53.7 73.8 23.1