==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 03-JUN-10 2XGD . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.T.STIEBRITZ,S.WENGRZIK,J.P.RICHTER,Y.A.MULLER . 194 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 71.6 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 . 6 3.1 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 . 118 60.8 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 1 2 1 0 0 0 0 0 1 0 1 1 0 1 0 1 0 1 0 0 0 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 2 A S 0 0 115 0, 0.0 32,-0.0 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 104.3 11.6 21.3 6.0 2 3 A R - 0 0 175 1,-0.1 0, 0.0 5,-0.0 0, 0.0 0.485 360.0-172.8 -8.9 119.8 9.8 22.6 9.2 3 4 A L + 0 0 28 4,-0.1 -1,-0.1 5,-0.0 30,-0.0 -0.062 26.6 149.1-121.2 28.8 10.8 26.1 10.2 4 5 A D > - 0 0 61 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.301 60.5-114.7 -51.4 144.1 9.0 26.4 13.5 5 6 A K H > S+ 0 0 166 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.939 118.8 51.0 -52.5 -48.2 10.9 28.6 15.9 6 7 A S H > S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.867 112.0 46.7 -52.1 -44.4 11.5 25.6 18.2 7 8 A K H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.868 110.3 51.1 -74.2 -40.8 12.8 23.5 15.3 8 9 A V H X S+ 0 0 8 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.966 113.1 46.4 -55.4 -52.4 15.2 26.2 14.0 9 10 A I H X S+ 0 0 13 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.919 111.8 50.8 -59.4 -46.8 16.7 26.7 17.5 10 11 A N H X S+ 0 0 62 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.900 111.3 46.8 -59.8 -45.4 17.0 23.0 18.0 11 12 A S H X S+ 0 0 24 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.886 112.1 53.2 -61.9 -39.6 18.8 22.5 14.7 12 13 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.905 106.7 50.7 -60.9 -40.8 21.0 25.5 15.6 13 14 A L H X S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.950 110.8 49.0 -66.0 -46.9 21.9 24.0 19.0 14 15 A E H X S+ 0 0 101 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.885 112.8 48.8 -52.1 -45.3 23.0 20.7 17.2 15 16 A L H X S+ 0 0 6 -4,-2.1 4,-2.7 1,-0.2 5,-0.4 0.871 103.8 59.8 -65.0 -40.7 25.0 22.9 14.8 16 17 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.885 105.9 48.6 -53.5 -42.8 26.6 24.8 17.7 17 18 A N H < S+ 0 0 71 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.804 114.4 45.6 -68.6 -31.9 28.0 21.5 19.0 18 19 A E H < S+ 0 0 118 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.945 131.8 14.4 -74.7 -51.3 29.4 20.5 15.5 19 20 A V H X S- 0 0 40 -4,-2.7 4,-0.9 1,-0.2 -3,-0.2 0.527 95.8-132.9-109.0 -11.5 31.0 23.8 14.5 20 21 A G H X - 0 0 1 -4,-2.3 4,-1.9 -5,-0.4 -1,-0.2 -0.088 44.9 -57.7 75.7 178.4 31.3 26.0 17.6 21 22 A I H 4 S+ 0 0 30 2,-0.2 -1,-0.2 1,-0.2 -4,-0.0 0.884 134.4 45.4 -67.5 -40.7 30.3 29.7 18.1 22 23 A E H 4 S+ 0 0 167 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.964 114.6 46.1 -63.2 -57.4 32.6 31.1 15.2 23 24 A G H < S+ 0 0 17 -4,-0.9 -2,-0.2 -7,-0.1 -1,-0.2 0.824 87.6 101.7 -58.7 -36.6 31.7 28.4 12.6 24 25 A L < + 0 0 0 -4,-1.9 2,-0.3 -8,-0.1 -8,-0.0 -0.324 49.1 159.4 -58.7 124.5 28.0 28.7 13.2 25 26 A T > - 0 0 44 1,-0.1 4,-1.8 21,-0.0 5,-0.1 -0.935 52.8-116.9-139.2 163.9 26.4 30.8 10.4 26 27 A T H > S+ 0 0 42 -2,-0.3 4,-1.9 2,-0.2 5,-0.2 0.847 116.1 58.4 -70.3 -32.5 22.9 31.2 8.9 27 28 A R H > S+ 0 0 161 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.891 109.2 43.4 -62.0 -42.8 24.3 29.9 5.6 28 29 A K H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.816 111.0 55.5 -72.5 -33.8 25.3 26.6 7.4 29 30 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.842 107.2 49.7 -66.0 -36.5 22.0 26.5 9.3 30 31 A A H X>S+ 0 0 1 -4,-1.9 5,-2.3 2,-0.2 4,-0.9 0.935 108.8 51.3 -70.2 -45.9 20.0 26.7 6.1 31 32 A Q H ><5S+ 0 0 159 -4,-1.6 3,-1.1 3,-0.2 -2,-0.2 0.949 112.2 48.8 -52.4 -48.6 22.1 23.9 4.5 32 33 A K H 3<5S+ 0 0 72 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.930 111.8 47.0 -57.6 -49.2 21.3 21.9 7.7 33 34 A L H 3<5S- 0 0 13 -4,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.502 112.4-120.5 -71.6 -6.4 17.6 22.6 7.5 34 35 A G T <<5S+ 0 0 57 -3,-1.1 2,-0.3 -4,-0.9 -3,-0.2 0.904 73.2 120.3 69.3 43.8 17.5 21.7 3.8 35 36 A V < - 0 0 28 -5,-2.3 -1,-0.3 -6,-0.1 -2,-0.1 -0.958 68.0-102.0-144.7 147.3 16.3 25.1 2.9 36 37 A E > - 0 0 147 -2,-0.3 4,-1.8 -3,-0.1 3,-0.5 -0.383 37.1-113.3 -71.2 153.7 17.4 28.1 0.7 37 38 A Q H > S+ 0 0 81 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.893 114.5 53.2 -59.8 -46.5 19.0 31.1 2.5 38 39 A P H > S+ 0 0 98 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.856 107.8 53.9 -55.0 -36.4 16.2 33.7 1.7 39 40 A T H > S+ 0 0 63 -3,-0.5 4,-0.7 2,-0.2 -2,-0.2 0.930 111.0 44.5 -64.1 -46.1 13.7 31.2 3.2 40 41 A L H >X S+ 0 0 3 -4,-1.8 4,-2.7 1,-0.2 3,-1.5 0.924 107.8 59.7 -60.4 -45.7 15.7 31.0 6.4 41 42 A Y H 3< S+ 0 0 137 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.828 94.7 63.0 -52.5 -37.8 16.1 34.8 6.4 42 43 A W H 3< S+ 0 0 190 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.891 117.8 29.5 -50.7 -38.1 12.3 35.2 6.5 43 44 A H H << S+ 0 0 85 -3,-1.5 2,-0.4 -4,-0.7 -2,-0.2 0.845 131.7 28.2 -93.9 -45.1 12.5 33.4 9.9 44 45 A V < - 0 0 16 -4,-2.7 -1,-0.3 1,-0.1 3,-0.1 -0.979 63.2-166.2-123.9 115.3 15.9 34.4 11.3 45 46 A K - 0 0 100 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.904 64.0 -18.0 -75.8 -39.0 17.3 37.8 10.2 46 47 A N > - 0 0 79 1,-0.1 4,-1.8 -21,-0.0 -1,-0.1 -0.931 67.0 -91.5-155.1 175.9 20.9 37.4 11.3 47 48 A K H > S+ 0 0 66 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.872 120.6 58.0 -59.8 -43.6 23.5 35.5 13.5 48 49 A R H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 108.9 46.2 -50.5 -49.6 23.0 38.1 16.3 49 50 A A H > S+ 0 0 37 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.894 112.9 49.9 -60.7 -42.7 19.3 37.2 16.4 50 51 A L H X S+ 0 0 3 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.917 109.9 49.9 -64.8 -44.8 20.0 33.4 16.3 51 52 A L H X S+ 0 0 16 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.842 107.1 54.0 -65.7 -41.8 22.5 33.6 19.1 52 53 A D H X S+ 0 0 53 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.921 110.2 47.7 -52.1 -52.6 20.1 35.6 21.3 53 54 A A H X S+ 0 0 26 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.925 113.3 48.3 -56.7 -49.7 17.5 32.8 20.8 54 55 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.905 107.9 54.4 -54.4 -50.0 20.1 30.1 21.6 55 56 A A H X S+ 0 0 4 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.894 112.1 44.4 -54.9 -44.3 21.3 31.9 24.7 56 57 A V H X S+ 0 0 32 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.877 113.5 49.8 -67.9 -41.7 17.7 32.0 26.1 57 58 A E H X S+ 0 0 55 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.885 103.3 58.8 -66.5 -40.2 16.9 28.4 25.2 58 59 A I H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 5,-0.4 0.914 114.0 38.9 -57.2 -43.7 20.0 26.9 26.8 59 60 A L H X S+ 0 0 23 -4,-1.1 4,-1.4 -5,-0.2 -1,-0.2 0.889 113.0 56.1 -73.0 -40.1 18.9 28.3 30.1 60 61 A A H < S+ 0 0 70 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.870 116.3 37.4 -56.4 -38.7 15.2 27.5 29.4 61 62 A R H < S+ 0 0 100 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.879 134.7 14.6 -81.2 -39.9 16.2 23.8 28.9 62 63 A H H < S+ 0 0 41 -4,-2.0 2,-1.7 -5,-0.3 3,-0.2 0.722 96.2 88.8-116.1 -28.6 18.9 23.2 31.5 63 64 A H < + 0 0 29 -4,-1.4 3,-0.2 -5,-0.4 -1,-0.1 -0.604 46.6 154.2 -80.8 87.5 19.0 26.1 34.1 64 65 A D + 0 0 112 -2,-1.7 2,-0.8 1,-0.2 3,-0.4 0.724 56.4 63.7 -93.4 -25.9 16.5 24.5 36.5 65 66 A Y + 0 0 61 -3,-0.2 -1,-0.2 15,-0.2 20,-0.2 -0.466 61.0 119.5 -97.0 64.5 17.6 26.1 39.7 66 67 A S + 0 0 25 -2,-0.8 -1,-0.2 -3,-0.2 49,-0.1 0.658 67.4 52.9-101.5 -15.1 16.9 29.7 39.0 67 68 A L S S- 0 0 83 -3,-0.4 -1,-0.1 47,-0.0 45,-0.0 -0.960 87.2-113.2-121.5 139.2 14.3 30.3 41.8 68 69 A P - 0 0 29 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.242 31.1-115.5 -65.1 157.5 14.8 29.6 45.6 69 70 A A > - 0 0 52 1,-0.1 3,-1.4 4,-0.1 2,-0.4 -0.282 47.9 -70.6 -81.5 174.1 12.8 26.9 47.4 70 71 A A T 3 S- 0 0 106 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.540 119.7 -2.5 -69.6 122.2 10.4 27.6 50.1 71 72 A G T 3 S+ 0 0 87 -2,-0.4 -1,-0.3 1,-0.2 2,-0.1 0.579 94.1 158.3 73.5 13.9 12.3 28.6 53.3 72 73 A E < - 0 0 25 -3,-1.4 -1,-0.2 1,-0.1 2,-0.1 -0.349 43.3-113.5 -73.5 145.7 15.7 28.2 51.6 73 74 A S > - 0 0 56 1,-0.1 4,-2.6 -2,-0.1 3,-0.2 -0.483 19.7-122.8 -75.4 150.6 18.7 30.0 53.0 74 75 A W H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.884 113.1 55.2 -59.3 -36.7 20.3 32.7 50.8 75 76 A Q H > S+ 0 0 45 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.879 109.8 43.7 -59.9 -48.0 23.6 30.8 50.9 76 77 A S H > S+ 0 0 27 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.869 111.3 55.7 -68.1 -42.7 22.1 27.6 49.6 77 78 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.962 110.2 44.4 -50.8 -54.3 20.2 29.6 47.0 78 79 A L H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.861 114.9 49.5 -64.2 -34.6 23.4 31.1 45.6 79 80 A R H X S+ 0 0 72 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.929 115.0 42.1 -70.1 -48.6 25.2 27.7 45.8 80 81 A N H X S+ 0 0 39 -4,-3.0 4,-2.2 2,-0.2 -15,-0.2 0.868 114.3 52.1 -64.9 -40.3 22.4 25.8 43.9 81 82 A N H X S+ 0 0 18 -4,-2.7 4,-3.1 -5,-0.3 5,-0.2 0.939 111.8 44.9 -61.2 -49.7 21.9 28.5 41.4 82 83 A A H X S+ 0 0 1 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.902 111.9 52.2 -65.2 -44.0 25.6 28.7 40.5 83 84 A M H X S+ 0 0 51 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.921 113.6 45.8 -53.9 -43.2 25.9 24.9 40.3 84 85 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.937 111.4 49.5 -67.9 -52.3 22.9 25.0 37.9 85 86 A F H X S+ 0 0 15 -4,-3.1 4,-2.1 -20,-0.2 -1,-0.2 0.907 110.3 54.2 -45.8 -48.6 24.1 27.9 35.7 86 87 A R H X S+ 0 0 17 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.938 109.9 43.1 -60.8 -51.9 27.5 26.1 35.4 87 88 A R H X S+ 0 0 95 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.879 110.6 56.7 -66.1 -34.9 26.1 22.8 34.2 88 89 A A H < S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 4,-0.4 0.892 110.4 45.9 -57.1 -40.8 23.7 24.6 31.8 89 90 A L H >< S+ 0 0 2 -4,-2.1 3,-0.5 1,-0.2 6,-0.4 0.793 109.3 53.7 -71.3 -32.5 26.8 26.4 30.3 90 91 A L H 3< S+ 0 0 54 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.598 90.8 80.4 -80.6 -9.4 28.9 23.2 30.0 91 92 A R T 3< S+ 0 0 129 -4,-0.8 2,-0.3 -3,-0.4 -1,-0.2 0.779 95.8 35.7 -69.9 -34.9 26.1 21.4 28.1 92 93 A Y S X S- 0 0 24 -3,-0.5 3,-1.9 -4,-0.4 4,-0.2 -0.931 96.1 -94.4-121.9 148.7 26.8 22.9 24.6 93 94 A R T 3 S+ 0 0 121 -2,-0.3 -74,-0.1 1,-0.3 -75,-0.1 -0.307 111.6 4.6 -58.2 138.5 30.1 23.8 23.0 94 95 A D T 3> S+ 0 0 25 54,-0.2 4,-2.0 1,-0.1 3,-0.3 0.702 87.1 147.9 53.5 23.7 31.1 27.5 23.5 95 96 A G H <> + 0 0 2 -3,-1.9 4,-1.5 -6,-0.4 -5,-0.1 0.824 67.2 51.9 -56.9 -34.1 28.0 27.7 25.8 96 97 A A H > S+ 0 0 0 -7,-0.3 4,-2.2 -4,-0.2 -1,-0.2 0.897 108.6 50.5 -71.4 -38.7 29.6 30.3 28.0 97 98 A K H > S+ 0 0 69 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.830 106.1 55.3 -66.4 -35.5 30.5 32.5 25.0 98 99 A V H < S+ 0 0 1 -4,-2.0 -1,-0.2 2,-0.2 4,-0.2 0.880 111.2 45.5 -63.6 -38.8 26.9 32.3 23.7 99 100 A H H >< S+ 0 0 42 -4,-1.5 3,-0.9 -5,-0.2 -2,-0.2 0.866 111.3 51.9 -69.2 -43.2 25.7 33.7 27.1 100 101 A L H 3< S+ 0 0 121 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.899 105.4 57.1 -55.8 -44.0 28.4 36.4 27.3 101 102 A G T 3< S+ 0 0 42 -4,-1.9 2,-0.4 -5,-0.1 -1,-0.2 0.426 95.7 74.2 -79.0 -0.1 27.5 37.7 23.8 102 103 A T S < S- 0 0 20 -3,-0.9 3,-0.1 -4,-0.2 -54,-0.0 -0.935 75.1-123.4-124.7 132.9 23.8 38.5 24.3 103 104 A R - 0 0 203 -2,-0.4 -2,-0.0 1,-0.1 -3,-0.0 -0.464 52.9 -89.2 -58.8 140.9 21.9 41.2 26.2 104 105 A P - 0 0 62 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.063 44.9-116.0 -64.0 163.3 19.4 39.6 28.7 105 106 A D > - 0 0 48 -3,-0.1 2,-1.3 -53,-0.0 4,-1.0 -0.454 23.0-100.5-106.5 162.8 15.9 38.6 27.9 106 107 A E T 4 S+ 0 0 123 1,-0.2 -1,-0.0 2,-0.2 0, 0.0 -0.240 123.0 40.3 -82.4 45.0 12.3 39.5 28.9 107 108 A K T > S+ 0 0 114 -2,-1.3 4,-2.5 3,-0.0 5,-0.2 0.167 103.9 65.7-141.0 -44.3 12.0 36.6 31.3 108 109 A Q H > S+ 0 0 56 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.631 103.8 48.8 -46.5 -28.6 15.6 36.8 32.8 109 110 A Y H X S+ 0 0 110 -4,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.859 110.6 49.4 -80.5 -44.4 14.6 40.2 34.3 110 111 A D H > S+ 0 0 109 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.852 115.9 43.0 -58.7 -39.4 11.3 38.8 35.8 111 112 A T H X S+ 0 0 43 -4,-2.5 4,-2.2 2,-0.2 3,-0.3 0.912 113.4 51.2 -75.9 -43.0 13.2 35.8 37.3 112 113 A V H X S+ 0 0 43 -4,-1.1 4,-2.0 -5,-0.2 -2,-0.2 0.721 105.2 59.4 -62.7 -22.7 16.1 38.0 38.5 113 114 A E H X S+ 0 0 110 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.885 106.4 44.3 -75.2 -41.6 13.5 40.3 40.1 114 115 A T H X S+ 0 0 61 -4,-1.2 4,-3.1 -3,-0.3 -2,-0.2 0.913 113.3 53.7 -63.6 -42.9 12.2 37.5 42.3 115 116 A Q H X S+ 0 0 13 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.899 111.8 43.8 -56.4 -42.9 15.9 36.6 43.0 116 117 A L H X S+ 0 0 20 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.772 110.9 53.6 -79.5 -25.6 16.6 40.1 44.1 117 118 A R H X S+ 0 0 121 -4,-1.7 4,-2.2 2,-0.2 3,-0.4 0.960 107.2 53.6 -66.1 -49.6 13.4 40.4 46.1 118 119 A F H X S+ 0 0 24 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.880 108.5 49.2 -51.2 -41.1 14.6 37.2 47.9 119 120 A M H <>S+ 0 0 0 -4,-1.5 5,-2.2 1,-0.2 3,-0.3 0.853 109.3 50.3 -70.0 -37.2 18.0 38.8 48.7 120 121 A T H ><5S+ 0 0 56 -4,-1.6 3,-1.1 -3,-0.4 -1,-0.2 0.813 105.9 56.0 -72.6 -33.0 16.5 42.0 50.2 121 122 A E H 3<5S+ 0 0 143 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.702 105.3 55.8 -67.8 -19.3 14.2 39.9 52.4 122 123 A N T 3<5S- 0 0 59 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.146 131.5 -87.0-102.5 17.4 17.4 38.2 53.7 123 124 A G T < 5S+ 0 0 56 -3,-1.1 2,-0.3 1,-0.3 -3,-0.2 0.273 82.9 135.9 104.1 -10.6 19.1 41.5 54.8 124 125 A F < - 0 0 10 -5,-2.2 -1,-0.3 1,-0.1 -2,-0.1 -0.547 53.8-133.4 -74.7 128.1 20.8 42.5 51.6 125 126 A S - 0 0 76 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.912 38.9-107.9 -30.4 -93.5 20.6 46.2 50.7 126 127 A L S > S+ 0 0 102 -7,-0.0 4,-2.3 -6,-0.0 5,-0.1 -0.078 118.1 52.7 177.6 -53.0 19.7 45.9 46.9 127 128 A R H > S+ 0 0 155 2,-0.2 4,-3.0 1,-0.2 5,-0.1 0.932 115.2 46.7 -61.2 -43.3 23.0 47.0 45.4 128 129 A D H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.783 110.5 49.4 -65.3 -38.9 24.5 44.4 47.7 129 130 A G H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.1 -1,-0.2 0.873 114.6 47.1 -67.5 -39.6 21.9 41.7 46.7 130 131 A L H X S+ 0 0 81 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.928 113.0 48.4 -66.4 -48.4 22.6 42.6 43.1 131 132 A Y H X S+ 0 0 104 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.924 107.6 55.1 -56.7 -48.0 26.5 42.5 43.6 132 133 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.890 112.7 41.7 -56.1 -46.1 26.3 39.2 45.4 133 134 A I H X S+ 0 0 22 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.888 113.3 53.3 -68.2 -44.6 24.5 37.5 42.5 134 135 A S H X S+ 0 0 34 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.932 109.0 50.6 -52.0 -47.8 26.7 39.3 39.9 135 136 A W H X S+ 0 0 113 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.874 109.5 47.8 -65.4 -40.0 29.9 38.0 41.7 136 137 A V H X S+ 0 0 5 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.928 113.3 50.9 -63.2 -43.3 28.8 34.4 41.8 137 138 A S H X S+ 0 0 34 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.936 110.7 47.0 -56.0 -48.7 27.9 34.8 38.2 138 139 A H H X S+ 0 0 121 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.880 112.4 49.9 -62.1 -46.9 31.3 36.3 37.3 139 140 A F H X S+ 0 0 72 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.897 114.1 45.1 -58.5 -46.0 33.1 33.5 39.2 140 141 A T H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.958 113.4 48.2 -71.4 -49.1 31.1 30.8 37.5 141 142 A L H X S+ 0 0 22 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.915 112.5 49.4 -50.9 -51.2 31.4 32.2 34.0 142 143 A G H X S+ 0 0 33 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.911 112.5 48.1 -55.7 -46.2 35.2 32.7 34.4 143 144 A A H X S+ 0 0 33 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.876 115.3 44.5 -61.5 -42.2 35.5 29.1 35.6 144 145 A V H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 3,-0.4 0.924 108.8 55.3 -71.6 -42.8 33.4 27.7 32.8 145 146 A L H X S+ 0 0 44 -4,-2.9 4,-0.7 1,-0.3 -1,-0.2 0.786 110.8 46.4 -62.8 -28.8 35.1 29.8 30.0 146 147 A E H X S+ 0 0 129 -4,-1.3 4,-1.6 -5,-0.2 -1,-0.3 0.736 114.3 47.3 -83.2 -25.1 38.5 28.4 31.0 147 148 A Q H < S+ 0 0 55 -4,-1.0 -2,-0.2 -3,-0.4 -3,-0.1 0.906 115.7 44.2 -78.6 -45.4 37.2 24.9 31.2 148 149 A Q H < S+ 0 0 37 -4,-3.4 -2,-0.2 1,-0.1 -3,-0.2 0.700 114.7 51.8 -69.4 -23.0 35.5 25.1 27.9 149 150 A E H < S+ 0 0 107 -4,-0.7 2,-1.2 -5,-0.3 -2,-0.2 0.976 100.7 59.7 -76.3 -61.5 38.5 26.8 26.3 150 151 A H < 0 0 133 -4,-1.6 -1,-0.2 -5,-0.1 -4,-0.0 -0.506 360.0 360.0 -72.4 96.0 41.1 24.3 27.4 151 152 A T 0 0 134 -2,-1.2 0, 0.0 -3,-0.1 0, 0.0 0.066 360.0 360.0 30.8 360.0 39.8 21.2 25.6 152 ! 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 0.0 153 166 A L 0 0 159 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.3 58.8 23.2 33.1 154 167 A P > - 0 0 77 0, 0.0 4,-2.0 0, 0.0 5,-0.1 -0.360 360.0-127.2 -86.9 150.6 58.9 24.2 36.7 155 168 A P H > S+ 0 0 79 0, 0.0 4,-2.5 0, 0.0 0, 0.0 0.775 100.3 44.3 -60.2 -48.1 58.7 21.8 39.8 156 169 A L H > S+ 0 0 155 2,-0.2 4,-1.2 1,-0.2 5,-0.2 0.855 112.5 52.7 -70.4 -39.0 55.9 23.2 42.0 157 170 A L H >> S+ 0 0 97 1,-0.2 4,-0.8 2,-0.2 3,-0.6 0.944 112.1 47.5 -57.6 -50.4 53.5 23.9 39.1 158 171 A R H >X S+ 0 0 126 -4,-2.0 3,-2.9 1,-0.2 4,-0.7 0.971 106.7 56.7 -42.8 -61.5 54.1 20.2 38.1 159 172 A E H 3< S+ 0 0 134 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.570 111.4 40.7 -64.1 -20.0 53.5 18.9 41.5 160 173 A A H X< S+ 0 0 74 -4,-1.2 3,-1.1 -3,-0.6 -1,-0.3 0.391 91.7 88.6-102.5 -6.5 50.0 20.4 41.9 161 174 A L H XX + 0 0 84 -3,-2.9 3,-6.3 -4,-0.8 4,-0.9 0.934 65.5 84.0 -50.3 -48.5 48.9 19.6 38.3 162 175 A Q T 3< S+ 0 0 138 -4,-0.7 -1,-0.2 1,-0.3 5,-0.1 0.541 97.1 39.0 -44.7 -17.6 47.7 16.1 39.4 163 176 A I T <4 S+ 0 0 88 -3,-1.1 -1,-0.3 3,-0.1 4,-0.3 0.410 102.6 72.9-106.7 -1.5 44.3 17.6 40.5 164 177 A M T <4 S+ 0 0 150 -3,-6.3 -2,-0.2 -4,-0.3 -3,-0.1 0.946 115.5 21.1 -67.4 -54.6 44.3 20.0 37.4 165 178 A D S < S+ 0 0 94 -4,-0.9 2,-1.4 1,-0.1 4,-0.1 0.471 111.0 62.9 -76.2-129.5 43.5 16.9 35.3 166 179 A S S S+ 0 0 97 2,-0.1 2,-0.2 3,-0.0 -3,-0.1 -0.161 108.8 46.8 37.3 -77.7 42.0 13.9 37.3 167 180 A D S S- 0 0 47 -2,-1.4 0, 0.0 -4,-0.3 0, 0.0 -0.525 86.5-131.0 -79.3 155.2 38.9 16.0 38.1 168 181 A D - 0 0 84 -2,-0.2 -1,-0.1 1,-0.0 -2,-0.1 0.580 65.0 -78.4 -80.3 -12.1 37.2 18.1 35.4 169 182 A G S > S+ 0 0 22 -4,-0.1 4,-2.5 -6,-0.1 5,-0.2 0.267 103.6 114.0 123.3 -4.7 37.1 21.3 37.5 170 183 A E H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.936 78.7 44.4 -65.6 -50.2 34.1 20.4 39.7 171 184 A Q H > S+ 0 0 88 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.919 115.4 47.4 -59.7 -48.9 36.0 20.2 43.0 172 185 A A H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.957 113.9 49.1 -57.7 -49.4 38.0 23.4 42.4 173 186 A F H X S+ 0 0 7 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.885 113.0 46.1 -56.6 -45.7 34.8 25.1 41.4 174 187 A L H X S+ 0 0 56 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.888 110.8 52.0 -71.7 -40.5 32.8 24.0 44.5 175 188 A H H X S+ 0 0 125 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.924 113.8 44.3 -56.9 -43.5 35.7 24.8 46.9 176 189 A G H X S+ 0 0 22 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.765 109.9 53.9 -76.5 -29.4 35.9 28.4 45.4 177 190 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.876 109.4 49.8 -67.2 -40.6 32.1 28.9 45.4 178 191 A E H X S+ 0 0 83 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.913 110.8 49.7 -65.0 -44.8 32.0 28.0 49.1 179 192 A S H X S+ 0 0 84 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.915 111.6 48.8 -57.8 -43.1 34.9 30.5 49.8 180 193 A L H X S+ 0 0 51 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.882 110.5 48.7 -69.7 -42.5 33.1 33.2 47.9 181 194 A I H X S+ 0 0 2 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.836 109.6 53.3 -63.6 -39.6 29.7 32.8 49.7 182 195 A R H X S+ 0 0 156 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.920 107.7 51.5 -62.2 -42.6 31.5 32.7 53.1 183 196 A G H X S+ 0 0 41 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.884 109.0 49.6 -61.6 -38.6 33.2 36.1 52.3 184 197 A I H X S+ 0 0 13 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.789 109.0 54.3 -69.8 -32.7 29.8 37.6 51.3 185 198 A E H X S+ 0 0 46 -4,-1.5 4,-3.3 2,-0.2 5,-0.3 0.938 105.7 52.2 -60.3 -51.9 28.4 36.3 54.6 186 199 A V H X S+ 0 0 64 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.940 111.4 45.2 -50.7 -56.4 31.1 38.0 56.6 187 200 A Q H X S+ 0 0 95 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.934 115.6 48.7 -56.2 -48.5 30.5 41.4 55.0 188 201 A L H >< S+ 0 0 45 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.947 113.6 43.2 -58.1 -54.1 26.7 40.9 55.5 189 202 A T H 3< S+ 0 0 90 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.856 105.2 64.3 -66.8 -33.9 26.7 39.9 59.2 190 203 A A H >< S- 0 0 10 -4,-2.4 3,-0.9 -5,-0.3 2,-0.9 0.806 73.0-176.8 -52.2 -28.2 29.3 42.6 60.0 191 204 A L T << S- 0 0 129 -3,-1.2 -1,-0.2 -4,-0.8 4,-0.1 -0.645 71.9 -54.7 58.3-105.3 26.7 45.2 59.1 192 205 A L T 3 S+ 0 0 106 -2,-0.9 2,-0.3 -3,-0.2 -1,-0.2 -0.227 86.9 134.1-162.8 99.4 29.6 47.3 59.9 193 206 A Q S < S- 0 0 131 -3,-0.9 2,-0.3 1,-0.1 -3,-0.0 -0.516 92.4 -64.2 -74.1 169.7 31.5 47.4 62.9 194 207 A I 0 0 177 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.1 -0.488 360.0 360.0 -67.8 123.6 35.0 47.4 61.4 195 208 A V 0 0 96 -2,-0.3 -1,-0.1 -4,-0.1 -8,-0.1 -0.191 360.0 360.0-111.0 360.0 35.4 44.0 59.5