==== 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 2ZCX . COMPND 2 MOLECULE: TETR-FAMILY TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR U.OKADA,K.KONDO,M.YAO,N.WATANABE,I.TANAKA . 205 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 79.0 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 . 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 . 5 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 67.3 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+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 1 0 0 0 2 0 0 0 1 1 0 0 0 1 0 1 0 1 0 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 . 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 19 A Q > 0 0 162 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 70.6 37.4 -8.7 9.9 2 20 A A T 4 + 0 0 82 1,-0.2 4,-0.1 2,-0.2 0, 0.0 0.417 360.0 59.1 -75.9 9.5 34.5 -9.6 7.6 3 21 A K T > S+ 0 0 107 3,-0.1 4,-1.7 2,-0.1 -1,-0.2 0.764 103.2 42.3-101.4 -40.4 33.3 -6.6 9.5 4 22 A Q H > S+ 0 0 88 -3,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.758 120.0 45.7 -80.6 -26.2 35.9 -3.9 8.6 5 23 A Q H X S+ 0 0 101 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.814 110.7 53.9 -81.9 -34.0 35.8 -5.1 5.0 6 24 A R H > S+ 0 0 95 -5,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.925 111.5 44.8 -64.5 -46.4 32.0 -5.2 5.0 7 25 A E H X S+ 0 0 29 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.903 114.2 48.9 -64.4 -42.7 31.8 -1.6 6.2 8 26 A E H X S+ 0 0 112 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.792 111.6 50.8 -68.2 -28.3 34.5 -0.5 3.7 9 27 A A H X S+ 0 0 47 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.865 107.8 51.2 -77.2 -38.4 32.5 -2.3 1.0 10 28 A I H X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.882 110.9 50.0 -65.3 -38.2 29.2 -0.7 1.9 11 29 A L H X S+ 0 0 3 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.906 108.7 50.4 -67.7 -43.1 31.0 2.7 1.7 12 30 A D H X S+ 0 0 76 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.886 110.2 51.1 -62.7 -37.7 32.5 2.1 -1.7 13 31 A A H X S+ 0 0 3 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.898 111.8 47.6 -64.7 -39.9 29.1 1.0 -3.0 14 32 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.909 113.8 48.2 -66.2 -42.7 27.7 4.3 -1.6 15 33 A R H X S+ 0 0 59 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.944 113.3 44.5 -64.0 -50.1 30.6 6.2 -3.2 16 34 A E H X S+ 0 0 115 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.767 111.6 54.7 -67.5 -25.0 30.3 4.7 -6.6 17 35 A L H X S+ 0 0 12 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.865 110.9 45.5 -74.3 -36.6 26.6 5.0 -6.6 18 36 A G H X S+ 0 0 4 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.810 109.9 54.6 -74.3 -30.4 27.0 8.7 -5.8 19 37 A T H < S+ 0 0 108 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.842 111.0 47.2 -69.6 -34.6 29.7 9.0 -8.6 20 38 A E H < S+ 0 0 137 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.1 0.947 135.2 2.3 -74.0 -51.8 27.2 7.5 -11.1 21 39 A R H < S- 0 0 124 -4,-2.0 -2,-0.2 1,-0.4 -3,-0.2 0.270 104.6-100.2-125.5 13.6 24.0 9.6 -10.4 22 40 A G < - 0 0 17 -4,-1.8 -1,-0.4 -5,-0.2 -2,-0.1 -0.345 30.5 -96.8 94.4 179.6 24.8 12.1 -7.7 23 41 A I S > S+ 0 0 1 2,-0.1 3,-1.8 -2,-0.1 -1,-0.1 0.740 99.9 79.6-110.7 -34.1 24.0 12.1 -4.0 24 42 A R T 3 S+ 0 0 100 1,-0.3 -1,-0.1 -6,-0.1 -2,-0.1 0.270 106.3 35.4 -63.5 15.5 20.8 14.0 -3.4 25 43 A E T 3 S+ 0 0 144 -3,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.269 81.7 121.6-151.3 10.1 18.8 11.0 -4.5 26 44 A I < - 0 0 4 -3,-1.8 2,-0.3 4,-0.0 -3,-0.0 -0.670 46.1-153.8 -83.7 133.4 20.6 7.9 -3.3 27 45 A T > - 0 0 56 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.725 26.6-121.2-108.2 157.6 18.6 5.6 -1.0 28 46 A L H > S+ 0 0 14 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.823 116.3 55.9 -61.8 -30.2 19.6 3.2 1.7 29 47 A T H > S+ 0 0 73 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.928 104.2 50.6 -67.1 -47.9 17.8 0.5 -0.4 30 48 A D H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.897 110.4 49.9 -57.8 -43.9 19.8 1.2 -3.5 31 49 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.921 112.1 48.1 -61.4 -44.0 23.1 0.9 -1.6 32 50 A A H X>S+ 0 0 4 -4,-1.8 5,-1.6 1,-0.2 4,-1.0 0.933 111.3 50.3 -61.5 -47.0 21.9 -2.4 -0.1 33 51 A A H <5S+ 0 0 74 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.858 110.5 51.4 -59.4 -37.2 20.9 -3.6 -3.6 34 52 A T H <5S+ 0 0 60 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.934 112.7 42.2 -67.8 -48.2 24.4 -2.6 -4.8 35 53 A V H <5S- 0 0 40 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.560 111.6-123.6 -76.1 -8.2 26.3 -4.5 -2.2 36 54 A G T <5 + 0 0 64 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.933 68.2 113.6 67.7 49.3 24.0 -7.4 -2.5 37 55 A M S - 0 0 152 -2,-0.3 4,-1.8 1,-0.1 3,-0.4 -0.350 35.6-118.0 -69.5 154.7 19.3 -7.3 2.7 39 57 A K H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.858 112.9 59.6 -61.3 -36.1 18.4 -3.9 4.1 40 58 A S H > S+ 0 0 85 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.888 106.2 46.8 -60.6 -40.6 18.2 -5.3 7.6 41 59 A A H >> S+ 0 0 30 -3,-0.4 3,-0.9 1,-0.2 4,-0.7 0.883 110.6 52.7 -68.9 -38.8 21.8 -6.5 7.5 42 60 A L H >X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 3,-1.1 0.883 102.1 60.5 -63.2 -37.5 22.9 -3.1 6.1 43 61 A L H 3< S+ 0 0 64 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.694 92.1 66.4 -64.5 -19.3 21.1 -1.4 9.0 44 62 A R H << S+ 0 0 213 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.849 110.7 35.9 -71.1 -30.8 23.4 -3.2 11.5 45 63 A Y H << S+ 0 0 60 -3,-1.1 2,-0.4 -4,-0.7 -2,-0.2 0.880 131.3 21.9 -87.1 -42.7 26.3 -1.2 10.1 46 64 A F < - 0 0 3 -4,-2.3 -1,-0.3 1,-0.1 6,-0.1 -0.981 59.2-152.8-135.5 125.5 24.5 2.1 9.3 47 65 A E S S- 0 0 78 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.845 79.6 -5.2 -60.7 -40.0 21.3 3.5 10.9 48 66 A T S > S- 0 0 34 1,-0.1 4,-1.2 -20,-0.0 3,-0.4 -0.921 72.6-100.9-148.7 172.2 20.3 5.7 7.9 49 67 A R H > S+ 0 0 50 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.786 120.7 60.9 -68.6 -24.9 21.6 6.8 4.5 50 68 A E H > S+ 0 0 29 1,-0.2 4,-1.6 61,-0.2 -1,-0.2 0.827 101.7 50.8 -69.5 -33.0 22.6 10.1 6.2 51 69 A Q H > S+ 0 0 39 -3,-0.4 4,-1.6 60,-0.2 -1,-0.2 0.824 109.1 52.4 -73.9 -31.2 24.9 8.3 8.5 52 70 A I H X S+ 0 0 0 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.935 112.9 42.9 -68.3 -45.6 26.5 6.6 5.5 53 71 A F H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.792 109.0 57.9 -72.2 -26.7 27.1 9.9 3.8 54 72 A L H X S+ 0 0 6 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.904 107.7 48.0 -70.1 -37.4 28.3 11.6 6.9 55 73 A K H X S+ 0 0 92 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.866 113.0 47.2 -70.4 -33.0 31.0 8.9 7.2 56 74 A I H X S+ 0 0 6 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.827 109.4 55.0 -74.1 -31.0 32.0 9.3 3.5 57 75 A T H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.910 108.7 48.1 -66.7 -40.1 32.0 13.1 4.1 58 76 A A H X S+ 0 0 18 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.886 109.8 50.7 -67.7 -40.4 34.5 12.6 7.0 59 77 A E H X S+ 0 0 57 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.883 109.5 53.8 -63.6 -35.2 36.7 10.3 4.9 60 78 A G H X S+ 0 0 13 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.865 105.9 51.3 -65.5 -38.4 36.5 13.1 2.3 61 79 A W H X S+ 0 0 19 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.923 112.1 47.0 -65.1 -43.0 37.7 15.7 4.8 62 80 A K H X S+ 0 0 117 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.941 114.9 45.7 -63.7 -47.2 40.7 13.5 5.8 63 81 A E H X S+ 0 0 94 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.926 116.7 44.2 -63.0 -46.7 41.6 12.8 2.1 64 82 A W H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 5,-0.2 0.925 112.9 50.8 -65.8 -44.8 41.3 16.5 1.1 65 83 A S H X S+ 0 0 1 -4,-2.6 4,-3.2 -5,-0.2 5,-0.3 0.924 111.1 48.6 -58.1 -46.8 43.1 17.8 4.2 66 84 A A H X S+ 0 0 64 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.880 114.2 46.9 -61.9 -38.1 46.0 15.5 3.6 67 85 A E H X S+ 0 0 56 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.954 115.6 44.6 -67.7 -50.4 46.2 16.5 -0.1 68 86 A L H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.911 115.9 45.9 -61.4 -45.7 45.9 20.2 0.7 69 87 A C H X S+ 0 0 1 -4,-3.2 4,-2.2 -5,-0.2 -1,-0.2 0.852 107.0 57.2 -69.3 -35.3 48.5 20.1 3.5 70 88 A A H < S+ 0 0 47 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.878 114.4 41.1 -62.6 -34.9 51.0 17.9 1.6 71 89 A R H >< S+ 0 0 132 -4,-1.5 3,-1.4 2,-0.2 -2,-0.2 0.896 114.9 47.8 -78.9 -43.5 51.0 20.7 -1.1 72 90 A L H >< S+ 0 0 1 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.819 100.5 69.4 -67.0 -28.8 51.0 23.7 1.3 73 91 A R T 3< S+ 0 0 131 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.569 99.9 48.4 -65.0 -10.3 53.8 22.1 3.2 74 92 A E T < S+ 0 0 163 -3,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.096 95.4 109.1-116.2 19.4 56.1 22.7 0.2 75 93 A L S < S- 0 0 44 -3,-1.9 2,-0.9 1,-0.0 -3,-0.0 -0.598 76.3-105.2-103.5 160.7 55.1 26.4 -0.3 76 94 A P > - 0 0 94 0, 0.0 2,-2.1 0, 0.0 3,-1.1 -0.703 41.0-125.0 -82.3 101.5 56.7 29.8 0.2 77 95 A G T 3 S+ 0 0 43 -2,-0.9 62,-0.0 1,-0.2 58,-0.0 -0.191 93.3 47.6 -51.3 73.6 55.1 31.2 3.3 78 96 A A T 3 S+ 0 0 78 -2,-2.1 -1,-0.2 1,-0.1 61,-0.1 0.377 71.5 109.0 171.6 5.2 53.8 34.6 2.1 79 97 A A <> - 0 0 34 -3,-1.1 4,-1.9 1,-0.2 5,-0.2 -0.827 35.2-178.9-107.3 99.2 51.9 34.2 -1.2 80 98 A P H > S+ 0 0 26 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.944 84.2 49.1 -57.1 -55.1 48.1 34.7 -0.8 81 99 A D H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.845 111.1 51.6 -56.4 -35.4 47.2 34.1 -4.5 82 100 A A H > S+ 0 0 41 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.873 110.6 47.1 -71.1 -37.7 49.3 30.9 -4.5 83 101 A V H X S+ 0 0 2 -4,-1.9 4,-1.8 -3,-0.2 3,-0.4 0.932 111.7 50.7 -68.7 -44.8 47.6 29.6 -1.4 84 102 A G H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.892 106.8 56.2 -57.3 -40.4 44.2 30.4 -2.8 85 103 A Q H X S+ 0 0 82 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.840 105.5 50.2 -61.2 -37.5 45.1 28.6 -6.0 86 104 A V H X S+ 0 0 17 -4,-1.3 4,-1.9 -3,-0.4 -1,-0.2 0.862 111.2 48.8 -71.2 -35.2 45.9 25.4 -4.1 87 105 A F H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 5,-0.3 0.927 112.9 47.9 -67.8 -45.0 42.6 25.5 -2.3 88 106 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.877 113.2 47.0 -63.8 -41.0 40.7 26.1 -5.5 89 107 A A H X S+ 0 0 30 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.890 113.4 46.1 -71.8 -41.2 42.5 23.3 -7.4 90 108 A T H < S+ 0 0 6 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.915 118.6 41.6 -69.6 -40.8 42.1 20.6 -4.8 91 109 A L H >< S+ 0 0 0 -4,-2.1 3,-2.0 -5,-0.2 7,-0.2 0.904 111.4 54.7 -72.4 -42.2 38.4 21.4 -4.1 92 110 A A H 3< S+ 0 0 13 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.794 105.1 56.4 -61.3 -25.8 37.5 21.8 -7.8 93 111 A A T 3< S+ 0 0 69 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.386 99.6 65.7 -86.3 3.4 39.0 18.4 -8.4 94 112 A R <> + 0 0 36 -3,-2.0 4,-2.2 1,-0.1 -1,-0.2 -0.580 51.6 159.0-128.5 71.9 36.7 16.8 -5.8 95 113 A P H > S+ 0 0 56 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.870 78.2 49.2 -60.3 -41.7 33.0 17.0 -7.0 96 114 A L H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.938 112.7 47.9 -65.0 -45.1 31.7 14.3 -4.8 97 115 A F H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.882 111.7 51.6 -61.2 -38.4 33.4 15.7 -1.7 98 116 A C H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.899 107.7 50.3 -66.6 -41.0 31.9 19.1 -2.7 99 117 A D H X S+ 0 0 17 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.912 112.7 48.8 -60.4 -42.3 28.3 17.8 -3.0 100 118 A L H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.815 106.5 55.0 -66.9 -33.5 28.8 16.2 0.5 101 119 A L H < S+ 0 0 21 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.869 113.0 43.1 -67.9 -35.5 30.2 19.5 1.9 102 120 A A H < S+ 0 0 39 -4,-1.8 4,-0.2 1,-0.2 -2,-0.2 0.828 118.8 44.0 -77.4 -33.1 27.0 21.2 0.7 103 121 A Q H >X S+ 0 0 25 -4,-2.0 4,-1.5 -5,-0.2 3,-1.0 0.729 93.8 82.5 -83.5 -25.1 24.7 18.4 1.9 104 122 A A H 3X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 5,-0.5 0.874 82.9 56.1 -48.4 -55.6 26.3 17.8 5.3 105 123 A P H 34 S+ 0 0 78 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.822 115.8 42.0 -51.3 -29.4 24.6 20.6 7.3 106 124 A L H <4 S+ 0 0 110 -3,-1.0 4,-0.4 -4,-0.2 -2,-0.2 0.746 109.9 57.4 -87.8 -28.6 21.3 19.0 6.3 107 125 A N H X S+ 0 0 3 -4,-1.5 4,-0.6 -3,-0.4 3,-0.4 0.886 113.7 35.9 -69.9 -45.6 22.5 15.3 6.7 108 126 A L T < S+ 0 0 32 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.703 93.5 99.3 -81.2 -19.8 23.4 15.6 10.4 109 127 A E T 4 S- 0 0 97 -5,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.735 108.7 -32.6 -37.4 -42.7 20.5 17.9 11.0 110 128 A R T 4 S+ 0 0 191 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.1 0.559 122.2 69.4-161.4 -14.8 18.1 15.3 12.4 111 129 A N S < S+ 0 0 93 -4,-0.6 2,-0.4 2,-0.1 -60,-0.2 -0.019 87.8 77.1-105.3 30.9 18.3 11.7 11.2 112 130 A V S S- 0 0 16 -4,-0.4 5,-0.0 -62,-0.1 -4,-0.0 -0.993 87.7-101.1-138.2 141.8 21.6 10.9 12.7 113 131 A S >> - 0 0 46 -2,-0.4 4,-2.3 1,-0.1 3,-0.6 -0.259 28.5-118.9 -63.6 148.2 22.4 10.1 16.4 114 132 A V H 3> S+ 0 0 108 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.903 114.1 52.8 -52.4 -46.5 23.9 12.8 18.6 115 133 A E H 3> S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.808 107.9 50.5 -64.1 -29.8 27.0 10.7 19.2 116 134 A S H <> S+ 0 0 29 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.910 111.1 48.7 -72.6 -42.5 27.6 10.3 15.5 117 135 A V H X S+ 0 0 34 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.937 110.4 52.8 -61.0 -44.6 27.3 14.0 14.9 118 136 A R H X S+ 0 0 133 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.896 111.6 44.2 -56.9 -44.4 29.7 14.6 17.8 119 137 A S H X S+ 0 0 73 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.918 113.8 51.3 -67.9 -43.7 32.3 12.3 16.3 120 138 A F H X S+ 0 0 12 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.937 111.7 44.9 -58.3 -51.3 31.8 13.7 12.8 121 139 A K H X S+ 0 0 90 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.878 113.9 50.8 -64.1 -36.8 32.2 17.4 13.9 122 140 A I H X S+ 0 0 96 -4,-1.8 4,-1.3 -5,-0.3 -2,-0.2 0.958 113.1 44.7 -64.0 -50.3 35.3 16.4 16.0 123 141 A A H X S+ 0 0 37 -4,-2.9 4,-1.1 1,-0.2 3,-0.4 0.926 116.1 48.1 -58.5 -46.4 36.9 14.6 13.1 124 142 A T H >X S+ 0 0 8 -4,-3.0 4,-1.8 1,-0.2 3,-0.8 0.931 109.4 51.3 -60.1 -49.2 36.0 17.5 10.8 125 143 A L H 3X S+ 0 0 108 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.706 102.2 61.7 -65.1 -20.3 37.3 20.2 13.1 126 144 A D H 3X S+ 0 0 86 -4,-1.3 4,-2.0 -3,-0.4 -1,-0.2 0.849 106.4 45.7 -72.7 -34.0 40.6 18.4 13.5 127 145 A E H S+ 0 0 2 -4,-1.5 4,-2.8 2,-0.2 5,-0.5 0.919 110.5 49.1 -66.4 -41.5 47.5 29.0 6.8 136 154 A R H X5S+ 0 0 79 -4,-2.4 4,-2.1 4,-0.2 -2,-0.2 0.944 115.1 44.0 -61.1 -49.2 48.9 30.5 10.0 137 155 A R H <5S+ 0 0 125 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.913 120.8 38.7 -62.9 -46.9 52.5 29.5 9.0 138 156 A L H <5S+ 0 0 3 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.843 137.2 13.6 -75.4 -36.3 52.2 30.6 5.4 139 157 A L H <5S- 0 0 27 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.446 93.6-123.3-122.1 -2.5 50.3 33.8 5.8 140 158 A G << + 0 0 63 -4,-2.1 2,-0.3 -5,-0.5 -4,-0.2 0.954 51.9 157.0 58.8 55.1 50.4 34.5 9.5 141 159 A V - 0 0 12 -6,-0.3 -1,-0.2 -9,-0.2 -2,-0.1 -0.820 40.7-113.7-109.8 151.3 46.6 34.7 10.2 142 160 A D > - 0 0 84 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.156 37.9 -94.7 -73.4 175.9 44.9 34.2 13.5 143 161 A E H > S+ 0 0 133 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.871 122.7 53.9 -59.9 -40.8 42.7 31.2 14.3 144 162 A T H > S+ 0 0 95 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 109.9 45.7 -61.9 -47.0 39.5 33.1 13.4 145 163 A Q H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.862 110.4 54.4 -65.7 -36.7 40.7 34.2 10.0 146 164 A A H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.904 110.7 45.5 -64.3 -41.8 41.9 30.7 9.2 147 165 A V H X S+ 0 0 60 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.904 110.0 54.3 -68.0 -42.1 38.5 29.2 10.0 148 166 A D H X S+ 0 0 87 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.906 111.0 47.3 -56.7 -43.5 36.7 31.9 8.0 149 167 A V H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.941 114.9 43.4 -64.5 -50.7 38.9 31.0 5.0 150 168 A I H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.947 115.5 49.0 -61.6 -48.7 38.4 27.2 5.3 151 169 A A H X S+ 0 0 42 -4,-3.3 4,-2.4 1,-0.2 5,-0.3 0.899 113.8 47.8 -56.3 -43.8 34.6 27.7 5.9 152 170 A T H X S+ 0 0 52 -4,-2.3 4,-2.5 -5,-0.3 5,-0.3 0.911 112.3 48.3 -64.4 -45.9 34.4 30.0 2.9 153 171 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.953 116.7 41.0 -61.1 -53.0 36.4 27.7 0.7 154 172 A T H X S+ 0 0 13 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.928 118.5 45.4 -63.2 -46.8 34.4 24.5 1.5 155 173 A S H X S+ 0 0 81 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.906 116.8 45.6 -64.9 -41.7 31.0 26.3 1.5 156 174 A L H X S+ 0 0 46 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.899 112.4 50.1 -70.1 -38.8 31.7 28.1 -1.7 157 175 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.924 110.8 51.0 -65.5 -41.2 33.1 25.0 -3.4 158 176 A G H X S+ 0 0 0 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.924 113.6 43.7 -60.0 -46.3 30.0 23.1 -2.4 159 177 A A H X S+ 0 0 44 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.867 112.3 51.7 -69.3 -38.7 27.6 25.7 -3.8 160 178 A L H X S+ 0 0 5 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.907 108.9 50.7 -66.1 -40.9 29.5 26.3 -7.0 161 179 A W H X S+ 0 0 55 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.844 110.1 50.1 -65.9 -32.2 29.6 22.6 -7.8 162 180 A Q H >< S+ 0 0 50 -4,-1.4 3,-0.8 1,-0.2 -1,-0.2 0.900 111.0 49.0 -69.4 -42.0 25.8 22.4 -7.2 163 181 A M H 3< S+ 0 0 103 -4,-2.1 22,-0.3 1,-0.2 -2,-0.2 0.787 110.3 53.0 -66.5 -27.4 25.3 25.3 -9.5 164 182 A A H 3< S+ 0 0 15 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.586 108.1 50.2 -83.5 -13.9 27.5 23.6 -12.1 165 183 A T << + 0 0 45 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.1 -0.470 61.6 147.9-125.5 62.1 25.5 20.3 -12.1 166 184 A P S S- 0 0 38 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.368 72.9 -72.4 -76.3 3.6 21.9 21.4 -12.6 167 185 A G >> - 0 0 21 1,-0.1 4,-2.4 3,-0.1 3,-1.2 0.090 51.1 -87.8 109.5 133.9 20.8 18.3 -14.5 168 186 A P H 3> S+ 0 0 106 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.843 125.4 44.1 -38.3 -57.9 21.7 17.3 -18.1 169 187 A H H 3> S+ 0 0 143 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.743 113.8 51.2 -67.0 -24.1 18.9 19.1 -19.8 170 188 A I H <> S+ 0 0 41 -3,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.870 106.4 53.6 -80.2 -37.4 19.3 22.3 -17.7 171 189 A Q H X S+ 0 0 63 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.899 109.8 48.6 -60.9 -39.1 23.0 22.4 -18.5 172 190 A T H X S+ 0 0 98 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.867 110.0 53.2 -67.6 -35.1 22.1 22.3 -22.2 173 191 A L H X S+ 0 0 75 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.903 106.3 51.5 -65.2 -44.5 19.6 25.1 -21.5 174 192 A Y H < S+ 0 0 61 -4,-2.7 6,-0.3 1,-0.2 -2,-0.2 0.919 112.9 45.3 -58.9 -44.7 22.2 27.3 -19.9 175 193 A R H < S+ 0 0 148 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.760 110.8 54.2 -71.6 -25.8 24.5 26.9 -22.8 176 194 A S H < S+ 0 0 79 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.797 98.3 66.3 -80.4 -30.9 21.8 27.5 -25.4 177 195 A D >< - 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