==== 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 REGULATION 21-MAY-98 1ORK . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.ORTH,D.SCHNAPPINGER,P.-E.SUM,G.A.ELLESTAD,W.HILLEN,W.SAENG . 197 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 78.7 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 . 8 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 1 0 1 1 1 0 0 0 0 0 1 1 0 1 2 0 0 0 0 0 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 2 A S 0 0 120 0, 0.0 2,-0.2 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0-166.2 12.0 20.5 7.6 2 3 A R - 0 0 181 2,-0.0 2,-0.5 1,-0.0 0, 0.0 -0.534 360.0-137.5 -87.4 155.9 9.3 22.8 9.0 3 4 A L + 0 0 35 -2,-0.2 2,-0.3 4,-0.1 3,-0.1 -0.792 52.9 112.6-123.0 90.3 10.0 26.5 9.5 4 5 A N S > S- 0 0 51 -2,-0.5 4,-2.5 1,-0.1 3,-0.4 -0.924 81.9 -83.8-145.2 160.1 8.7 28.0 12.7 5 6 A R H > S+ 0 0 150 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.844 126.0 45.1 -33.8 -57.0 10.5 29.3 15.8 6 7 A E H > S+ 0 0 111 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.892 113.6 46.2 -61.2 -47.2 11.0 25.8 17.4 7 8 A S H > S+ 0 0 36 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.926 114.2 49.7 -62.6 -42.7 12.1 23.9 14.3 8 9 A V H X S+ 0 0 6 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.936 111.8 48.3 -61.8 -45.8 14.6 26.7 13.4 9 10 A I H X S+ 0 0 6 -4,-2.6 4,-2.9 -5,-0.3 5,-0.2 0.947 108.9 53.1 -60.4 -50.2 16.0 26.7 16.9 10 11 A D H X S+ 0 0 65 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.935 111.4 45.9 -50.0 -50.8 16.4 22.9 17.0 11 12 A A H X S+ 0 0 8 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.881 112.2 52.0 -59.8 -40.7 18.4 23.0 13.8 12 13 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.904 110.1 48.3 -62.5 -43.1 20.4 25.9 15.1 13 14 A L H X S+ 0 0 7 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.946 113.2 46.6 -62.6 -50.4 21.3 24.0 18.3 14 15 A E H X S+ 0 0 112 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.886 113.3 50.3 -59.4 -41.0 22.3 20.9 16.4 15 16 A L H X S+ 0 0 7 -4,-2.4 4,-2.7 -5,-0.2 5,-0.4 0.889 107.0 53.1 -65.6 -42.8 24.4 23.0 14.0 16 17 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.941 105.6 55.6 -57.6 -45.5 26.1 24.8 16.9 17 18 A N H < S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.836 115.3 39.2 -55.2 -35.4 27.1 21.4 18.3 18 19 A E H < S+ 0 0 108 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.886 131.1 18.2 -84.5 -46.4 28.7 20.5 14.9 19 20 A T H X S- 0 0 36 -4,-2.7 4,-1.2 1,-0.2 3,-0.2 0.498 97.3-127.8-107.3 -7.0 30.5 23.6 13.7 20 21 A G H X - 0 0 0 -4,-2.4 4,-1.5 -5,-0.4 -1,-0.2 -0.027 47.0 -58.8 79.4 170.1 30.8 25.8 16.8 21 22 A I H 4 S+ 0 0 21 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.778 138.7 49.9 -58.9 -28.3 29.7 29.4 17.1 22 23 A D H 4 S+ 0 0 121 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.892 108.9 48.9 -78.7 -42.8 32.0 30.4 14.3 23 24 A G H < S+ 0 0 19 -4,-1.2 2,-1.0 -7,-0.1 5,-0.2 0.743 89.1 101.9 -67.4 -23.1 30.9 27.7 11.9 24 25 A L < + 0 0 2 -4,-1.5 2,-0.3 -5,-0.1 -1,-0.1 -0.514 48.9 154.9 -67.0 100.7 27.3 28.8 12.7 25 26 A T >> - 0 0 48 -2,-1.0 4,-2.2 1,-0.1 3,-0.5 -0.967 55.9-121.2-128.9 145.2 26.3 30.9 9.7 26 27 A T H 3> S+ 0 0 53 -2,-0.3 4,-2.4 1,-0.3 5,-0.1 0.839 115.9 60.3 -52.6 -31.0 22.8 31.6 8.3 27 28 A R H 3> S+ 0 0 151 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.938 106.5 43.1 -63.0 -48.6 24.1 30.0 5.1 28 29 A K H <> S+ 0 0 90 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.846 111.1 56.3 -66.2 -34.1 24.9 26.7 6.8 29 30 A L H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.936 104.1 54.0 -62.8 -46.1 21.5 26.9 8.7 30 31 A A H X>S+ 0 0 3 -4,-2.4 5,-2.6 1,-0.2 4,-1.1 0.934 110.1 46.0 -53.4 -51.3 19.7 27.2 5.4 31 32 A Q H ><5S+ 0 0 144 -4,-1.7 3,-0.8 3,-0.2 -1,-0.2 0.924 109.5 54.8 -57.8 -49.6 21.3 24.0 4.0 32 33 A K H 3<5S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.913 111.3 44.2 -51.1 -48.1 20.7 22.1 7.2 33 34 A L H 3<5S- 0 0 7 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.671 114.9-120.9 -72.8 -15.4 16.9 22.9 7.0 34 35 A G T <<5S+ 0 0 60 -4,-1.1 2,-0.3 -3,-0.8 -3,-0.2 0.873 72.5 115.0 76.7 39.6 17.0 22.1 3.3 35 36 A I < - 0 0 29 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.3 -0.824 68.6 -96.6-133.2 173.0 15.9 25.5 2.2 36 37 A E >> - 0 0 141 -2,-0.3 3,-1.8 -3,-0.1 4,-1.4 -0.685 38.3-110.3 -92.6 147.6 17.1 28.5 0.2 37 38 A Q H 3> S+ 0 0 106 -2,-0.3 4,-2.9 1,-0.3 5,-0.2 0.813 115.9 56.5 -44.0 -45.5 18.6 31.6 2.0 38 39 A P H 3> S+ 0 0 100 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.827 105.4 53.2 -60.7 -29.9 15.7 33.9 1.2 39 40 A T H <> S+ 0 0 59 -3,-1.8 4,-0.5 2,-0.2 3,-0.2 0.906 111.8 44.7 -69.5 -42.3 13.3 31.4 2.9 40 41 A L H >X S+ 0 0 2 -4,-1.4 4,-3.1 1,-0.2 3,-2.2 0.943 106.7 59.2 -65.6 -47.2 15.4 31.5 6.0 41 42 A Y H 3< S+ 0 0 135 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.764 96.8 62.8 -51.0 -32.4 15.8 35.3 6.0 42 43 A W H 3< S+ 0 0 197 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.810 119.9 24.5 -63.8 -30.3 12.0 35.4 6.2 43 44 A H H << S+ 0 0 68 -3,-2.2 2,-0.6 -4,-0.5 -2,-0.2 0.865 128.9 37.4 -99.2 -55.4 12.3 33.7 9.6 44 45 A V < - 0 0 15 -4,-3.1 -1,-0.3 1,-0.1 3,-0.1 -0.921 62.8-168.8-107.4 110.6 15.8 34.5 10.9 45 46 A K - 0 0 119 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.804 62.4 -23.7 -68.6 -35.5 16.9 38.1 10.1 46 47 A N > - 0 0 77 1,-0.1 4,-2.0 -20,-0.0 -1,-0.2 -0.991 66.2 -86.0-167.9 173.6 20.5 37.7 11.1 47 48 A K H > S+ 0 0 77 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.852 119.5 49.4 -58.4 -42.4 23.3 36.0 13.1 48 49 A R H > S+ 0 0 110 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.915 111.1 48.1 -67.7 -43.7 22.8 38.1 16.3 49 50 A A H > S+ 0 0 45 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.882 114.8 49.1 -61.8 -37.1 19.0 37.7 16.4 50 51 A L H X S+ 0 0 6 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.941 113.4 44.5 -67.5 -49.5 19.7 33.9 15.9 51 52 A L H X S+ 0 0 5 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.909 111.1 54.1 -63.8 -41.5 22.4 33.8 18.7 52 53 A D H X S+ 0 0 65 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.954 108.6 49.1 -57.2 -49.1 20.2 35.8 21.1 53 54 A A H X S+ 0 0 15 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.889 111.1 50.9 -57.9 -40.7 17.3 33.4 20.6 54 55 A L H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.943 106.0 53.6 -63.1 -47.6 19.7 30.5 21.3 55 56 A A H X S+ 0 0 5 -4,-2.9 4,-1.5 43,-0.2 -2,-0.2 0.930 113.8 44.2 -52.1 -46.3 21.1 32.1 24.5 56 57 A V H X S+ 0 0 16 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.965 115.7 46.3 -62.1 -54.5 17.5 32.4 25.7 57 58 A E H X S+ 0 0 33 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.804 105.0 59.2 -60.2 -38.0 16.5 28.9 24.6 58 59 A I H X S+ 0 0 4 -4,-3.2 4,-0.9 2,-0.2 5,-0.4 0.974 112.6 40.3 -57.4 -50.0 19.6 27.1 26.0 59 60 A L H >X S+ 0 0 17 -4,-1.5 4,-2.6 -5,-0.2 3,-0.9 0.929 113.0 52.3 -65.7 -48.0 18.7 28.4 29.5 60 61 A A H 3< S+ 0 0 79 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.754 116.2 42.8 -62.4 -22.1 14.9 27.8 29.3 61 62 A R H 3< S+ 0 0 89 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.523 133.3 12.9-100.8 -9.6 15.5 24.2 28.2 62 63 A H H << S+ 0 0 57 -3,-0.9 2,-2.1 -4,-0.9 3,-0.2 0.548 95.5 93.2-139.0 -19.7 18.3 23.2 30.6 63 64 A H < + 0 0 26 -4,-2.6 3,-0.3 -5,-0.4 22,-0.1 -0.511 46.6 164.5 -82.2 72.9 18.7 25.7 33.4 64 65 A D + 0 0 129 -2,-2.1 2,-1.1 1,-0.2 3,-0.4 0.782 60.4 62.3 -62.9 -33.8 16.3 23.9 35.8 65 66 A Y + 0 0 68 15,-0.2 -1,-0.2 -3,-0.2 20,-0.2 -0.496 63.1 124.0 -96.9 67.7 17.3 25.7 39.0 66 67 A S + 0 0 29 -2,-1.1 -1,-0.2 -3,-0.3 -2,-0.1 0.807 68.1 41.5 -91.8 -38.1 16.2 29.2 38.1 67 68 A L S S- 0 0 70 -3,-0.4 -1,-0.1 47,-0.0 2,-0.1 -0.887 92.2-105.6-112.7 145.7 13.8 30.0 41.0 68 69 A P - 0 0 31 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.363 31.8-112.7 -71.5 147.9 14.5 29.1 44.7 69 70 A A > - 0 0 50 1,-0.2 3,-1.7 4,-0.1 2,-0.2 -0.209 54.8 -66.0 -71.0 167.9 12.7 26.2 46.5 70 71 A A T 3 S- 0 0 109 1,-0.3 -1,-0.2 0, 0.0 0, 0.0 -0.385 118.7 -7.9 -61.3 121.5 10.2 27.0 49.3 71 72 A G T 3 S+ 0 0 88 1,-0.2 -1,-0.3 -2,-0.2 2,-0.2 0.758 92.7 160.5 63.3 29.1 12.1 28.4 52.3 72 73 A E < - 0 0 26 -3,-1.7 2,-0.2 1,-0.1 -1,-0.2 -0.506 41.1-109.9 -82.0 151.5 15.5 27.8 50.8 73 74 A S > - 0 0 56 -2,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.531 19.8-121.0 -78.9 149.1 18.6 29.8 52.0 74 75 A W H > S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.835 113.9 53.9 -59.3 -30.4 20.3 32.4 49.9 75 76 A Q H > S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 109.1 46.1 -69.6 -43.9 23.5 30.4 50.1 76 77 A S H > S+ 0 0 28 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.821 112.9 51.3 -68.0 -34.9 22.0 27.2 48.8 77 78 A F H X S+ 0 0 0 -4,-2.2 4,-3.7 2,-0.2 5,-0.4 0.985 108.9 49.0 -65.5 -56.3 20.2 29.1 46.0 78 79 A L H X S+ 0 0 3 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.871 116.1 45.6 -51.0 -39.2 23.3 30.8 44.8 79 80 A R H X S+ 0 0 75 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.939 118.1 40.2 -69.3 -51.7 25.1 27.4 44.9 80 81 A N H X S+ 0 0 41 -4,-2.7 4,-2.2 2,-0.2 -15,-0.2 0.881 116.5 49.5 -65.2 -42.6 22.3 25.5 43.1 81 82 A N H X S+ 0 0 16 -4,-3.7 4,-2.1 -5,-0.2 -1,-0.2 0.864 112.0 49.5 -65.3 -37.6 21.5 28.2 40.6 82 83 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.4 -2,-0.2 0.891 110.5 49.6 -69.1 -41.7 25.2 28.5 39.7 83 84 A M H X S+ 0 0 54 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.933 112.2 47.6 -62.8 -46.4 25.5 24.8 39.2 84 85 A S H X S+ 0 0 3 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.906 111.1 52.3 -58.8 -46.2 22.5 24.7 37.0 85 86 A F H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.957 111.6 44.9 -55.4 -54.2 23.8 27.7 35.1 86 87 A R H X S+ 0 0 14 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.910 112.0 53.9 -57.7 -44.0 27.2 26.0 34.5 87 88 A R H >X S+ 0 0 115 -4,-2.7 4,-1.2 1,-0.2 3,-0.8 0.951 111.2 43.8 -56.3 -52.7 25.4 22.7 33.5 88 89 A A H >X S+ 0 0 0 -4,-2.8 4,-0.5 1,-0.3 3,-0.5 0.900 109.4 57.3 -60.2 -43.7 23.3 24.4 30.9 89 90 A L H 3< S+ 0 0 2 -4,-2.6 7,-0.6 1,-0.2 -1,-0.3 0.755 109.2 47.1 -59.4 -25.7 26.3 26.4 29.6 90 91 A L H << S+ 0 0 54 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.704 88.3 83.6 -89.2 -23.8 28.1 23.1 29.0 91 92 A R H << S+ 0 0 131 -4,-1.2 2,-0.4 -3,-0.5 -1,-0.2 0.772 95.7 43.6 -50.7 -31.8 25.2 21.2 27.2 92 93 A Y S >< S- 0 0 35 -4,-0.5 3,-2.7 -3,-0.2 4,-0.3 -0.934 94.9 -99.1-125.9 145.4 26.2 22.9 23.9 93 94 A R T 3 S+ 0 0 110 -2,-0.4 -74,-0.1 1,-0.3 -75,-0.1 -0.316 113.4 2.3 -56.4 129.2 29.5 23.5 22.0 94 95 A D T >> S+ 0 0 8 -74,-0.1 4,-2.0 3,-0.1 3,-0.7 0.678 88.6 148.9 62.6 19.0 30.4 27.1 22.7 95 96 A G H <> S+ 0 0 1 -3,-2.7 4,-1.8 1,-0.3 3,-0.3 0.903 70.0 48.8 -48.7 -48.8 27.4 27.4 24.9 96 97 A A H 3> S+ 0 0 0 -7,-0.6 4,-1.4 -4,-0.3 -1,-0.3 0.811 108.9 54.1 -63.6 -31.3 29.1 30.0 27.2 97 98 A K H <4 S+ 0 0 63 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.851 105.4 53.4 -70.9 -35.3 30.1 32.0 24.1 98 99 A V H < S+ 0 0 0 -4,-2.0 -43,-0.2 -3,-0.3 -2,-0.2 0.928 110.0 47.7 -63.5 -46.0 26.5 32.1 22.9 99 100 A H H >< S+ 0 0 40 -4,-1.8 3,-2.1 -5,-0.2 -1,-0.2 0.800 87.7 110.7 -64.1 -36.5 25.4 33.5 26.2 100 101 A L T 3< S+ 0 0 78 -4,-1.4 3,-0.1 1,-0.2 -45,-0.1 -0.162 83.9 12.1 -46.2 131.1 28.1 36.1 26.3 101 102 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.171 96.3 125.3 87.4 -17.0 26.9 39.7 25.9 102 103 A T < - 0 0 37 -3,-2.1 -1,-0.3 -4,-0.1 3,-0.0 -0.319 43.3-156.2 -76.2 157.0 23.2 38.9 26.3 103 104 A R - 0 0 222 -3,-0.1 -1,-0.0 1,-0.1 -3,-0.0 -0.805 46.2 -59.4-123.4 165.6 20.9 40.6 28.9 104 105 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.216 55.6-140.0 -51.0 128.4 17.7 39.3 30.4 105 106 A D >> - 0 0 62 1,-0.1 3,-1.7 -53,-0.1 4,-1.4 -0.603 27.8-101.8 -85.3 156.5 15.2 38.6 27.7 106 107 A E H >> S+ 0 0 137 1,-0.3 3,-0.7 2,-0.2 4,-0.6 0.867 124.0 56.0 -45.4 -46.1 11.5 39.6 28.3 107 108 A K H 34 S+ 0 0 182 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.807 110.8 46.2 -57.5 -30.8 10.7 35.9 29.0 108 109 A Q H <> S+ 0 0 40 -3,-1.7 4,-2.8 1,-0.2 5,-0.4 0.684 85.1 92.1 -87.2 -20.0 13.3 36.0 31.7 109 110 A Y H S+ 0 0 37 -4,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.922 115.7 44.5 -59.4 -49.1 12.8 35.0 36.7 112 113 A V H X S+ 0 0 42 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.900 111.0 54.7 -65.6 -39.1 15.5 37.7 37.1 113 114 A E H X S+ 0 0 100 -4,-2.9 4,-2.4 -5,-0.4 5,-0.2 0.959 108.7 49.1 -56.6 -50.5 13.1 40.0 39.0 114 115 A T H X S+ 0 0 44 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.875 107.4 54.3 -57.0 -43.4 12.3 37.2 41.4 115 116 A Q H X S+ 0 0 20 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.933 109.8 47.9 -58.7 -45.9 16.0 36.5 42.0 116 117 A L H X S+ 0 0 38 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.926 113.4 46.2 -61.3 -47.7 16.7 40.1 42.9 117 118 A R H X S+ 0 0 122 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.915 108.6 56.0 -62.8 -43.9 13.7 40.4 45.3 118 119 A F H < S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.884 108.1 49.0 -55.1 -41.1 14.6 37.0 47.0 119 120 A M H ><>S+ 0 0 0 -4,-1.7 5,-2.1 -5,-0.2 3,-1.0 0.869 110.4 50.3 -67.9 -38.4 18.1 38.4 47.8 120 121 A T H ><5S+ 0 0 50 -4,-1.7 3,-2.1 1,-0.3 -2,-0.2 0.945 105.0 55.8 -66.5 -46.4 16.8 41.7 49.2 121 122 A E T 3<5S+ 0 0 138 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.153 104.0 57.4 -75.0 22.3 14.3 39.9 51.5 122 123 A N T < 5S- 0 0 56 -3,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.060 134.9 -80.5-132.3 12.3 17.3 38.0 53.0 123 124 A G T < 5S+ 0 0 56 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.379 89.8 127.8 104.1 -5.4 19.2 41.1 54.0 124 125 A F < - 0 0 15 -5,-2.1 -1,-0.3 -6,-0.1 2,-0.2 -0.615 54.2-133.3 -86.6 144.6 20.8 42.2 50.7 125 126 A S > - 0 0 59 -2,-0.3 4,-3.5 1,-0.1 5,-0.4 -0.611 35.4-104.7 -84.9 158.4 20.5 45.7 49.4 126 127 A L H > S+ 0 0 101 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.935 124.9 51.1 -48.8 -44.1 19.5 45.8 45.7 127 128 A R H > S+ 0 0 165 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.958 115.0 38.4 -56.2 -61.6 23.2 46.8 45.1 128 129 A D H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.864 116.6 50.7 -62.2 -40.9 24.7 44.0 47.2 129 130 A G H X S+ 0 0 2 -4,-3.5 4,-2.3 2,-0.2 -1,-0.2 0.902 111.2 50.1 -64.0 -40.2 22.2 41.3 46.0 130 131 A L H X S+ 0 0 68 -4,-2.6 4,-3.2 -5,-0.4 -2,-0.2 0.980 110.5 49.6 -59.4 -56.6 22.9 42.4 42.4 131 132 A Y H X S+ 0 0 134 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.817 109.9 50.4 -52.9 -38.6 26.7 42.1 43.0 132 133 A A H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.932 113.4 46.2 -65.3 -46.6 26.3 38.6 44.5 133 134 A I H X S+ 0 0 23 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.916 115.4 47.2 -60.3 -45.6 24.2 37.5 41.5 134 135 A S H X S+ 0 0 34 -4,-3.2 4,-3.3 2,-0.2 5,-0.3 0.949 109.1 51.6 -61.9 -55.9 26.7 39.1 39.1 135 136 A A H X S+ 0 0 29 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.901 111.1 49.3 -51.4 -42.7 29.8 37.6 40.7 136 137 A V H X S+ 0 0 4 -4,-1.9 4,-2.9 -5,-0.2 5,-0.2 0.970 113.2 47.0 -62.3 -48.7 28.3 34.2 40.6 137 138 A S H X S+ 0 0 36 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.936 114.6 45.5 -57.4 -49.1 27.4 34.7 36.9 138 139 A H H X S+ 0 0 136 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.854 114.1 49.3 -65.2 -36.3 30.8 36.1 36.0 139 140 A F H X S+ 0 0 69 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.916 112.8 46.2 -69.9 -46.3 32.6 33.3 37.8 140 141 A T H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.937 113.1 50.3 -62.1 -46.1 30.5 30.6 36.2 141 142 A L H X S+ 0 0 17 -4,-2.8 4,-3.2 -5,-0.2 -2,-0.2 0.958 111.5 46.4 -55.4 -58.6 30.9 32.1 32.7 142 143 A G H X S+ 0 0 31 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.848 112.3 50.5 -54.8 -40.2 34.7 32.4 32.9 143 144 A A H X S+ 0 0 30 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.957 114.8 42.8 -63.7 -52.3 35.2 28.9 34.3 144 145 A V H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 3,-0.4 0.938 115.2 50.5 -58.8 -50.4 33.1 27.3 31.6 145 146 A L H X>S+ 0 0 34 -4,-3.2 4,-2.7 1,-0.3 5,-0.6 0.977 110.0 47.6 -51.8 -65.8 34.6 29.4 28.9 146 147 A E H <5S+ 0 0 152 -4,-2.3 -1,-0.3 1,-0.2 4,-0.2 0.730 116.5 48.1 -47.5 -29.6 38.2 28.7 29.8 147 148 A Q H >X5S+ 0 0 41 -4,-1.3 4,-2.1 -3,-0.4 3,-0.7 0.973 119.1 34.5 -74.5 -64.9 37.2 25.0 30.0 148 149 A Q H 3X5S+ 0 0 24 -4,-3.1 4,-2.1 1,-0.3 -2,-0.2 0.932 119.7 48.2 -55.3 -56.2 35.3 24.8 26.6 149 150 A E H 3<5S+ 0 0 78 -4,-2.7 -1,-0.3 -5,-0.3 -3,-0.2 0.694 109.8 57.3 -61.9 -19.4 37.5 27.2 24.6 150 151 A H H X4 - 0 0 75 0, 0.0 4,-2.7 0, 0.0 5,-0.2 -0.373 33.4-102.9 -68.9 154.5 58.9 23.8 36.2 158 168 A P H > S+ 0 0 105 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.825 113.6 37.8 -42.7 -60.2 57.9 21.4 39.1 159 169 A L H > S+ 0 0 151 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.970 117.8 49.5 -63.2 -52.5 54.9 23.1 40.7 160 170 A L H > S+ 0 0 88 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.903 108.7 55.8 -52.2 -44.5 53.4 24.3 37.5 161 171 A R H X S+ 0 0 123 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.956 110.7 42.0 -54.2 -56.1 53.8 20.8 36.1 162 172 A E H X S+ 0 0 106 -4,-1.9 4,-2.0 1,-0.2 3,-0.3 0.892 111.4 57.9 -60.2 -38.2 51.8 19.2 38.9 163 173 A A H X S+ 0 0 42 -4,-3.0 4,-2.2 1,-0.2 3,-0.3 0.952 104.0 51.7 -55.8 -50.6 49.3 22.1 38.7 164 174 A L H < S+ 0 0 80 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.799 108.8 50.2 -57.6 -34.0 48.6 21.3 35.0 165 175 A Q H >X S+ 0 0 107 -4,-1.4 3,-1.1 -3,-0.3 4,-1.0 0.857 108.9 51.8 -72.2 -39.6 47.9 17.6 35.8 166 176 A I H >< S+ 0 0 94 -4,-2.0 3,-0.6 -3,-0.3 4,-0.5 0.897 104.4 57.5 -63.6 -38.7 45.5 18.6 38.6 167 177 A M T 3< S+ 0 0 117 -4,-2.2 5,-0.2 1,-0.2 -1,-0.2 0.490 110.8 43.6 -70.7 -5.0 43.7 20.9 36.1 168 178 A D T <4 S+ 0 0 115 -3,-1.1 -1,-0.2 -4,-0.1 -2,-0.2 0.548 83.0 96.2-112.5 -16.8 43.0 17.9 33.8 169 179 A S S << S- 0 0 96 -4,-1.0 2,-0.3 -3,-0.6 -2,-0.1 0.834 106.4 -6.3 -41.2 -45.3 42.0 15.4 36.5 170 180 A D S S- 0 0 53 -4,-0.5 2,-2.2 0, 0.0 0, 0.0 -0.841 98.7 -75.1-141.4 178.3 38.4 16.2 35.8 171 181 A D S S- 0 0 112 -2,-0.3 -3,-0.1 1,-0.2 -24,-0.1 -0.293 82.2 -79.6 -80.1 58.7 36.7 18.8 33.5 172 182 A G S > S+ 0 0 22 -2,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.459 98.9 125.0 62.5 5.4 37.4 21.7 35.8 173 183 A E H > + 0 0 82 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.890 68.6 47.4 -62.7 -47.6 34.4 20.8 38.1 174 184 A Q H > S+ 0 0 141 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.977 110.9 50.3 -59.2 -57.4 36.3 20.5 41.4 175 185 A A H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.861 113.1 49.7 -49.1 -39.4 38.1 23.9 41.0 176 186 A F H X S+ 0 0 4 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.976 110.6 45.3 -65.9 -58.5 34.8 25.5 40.2 177 187 A L H X S+ 0 0 62 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.865 114.0 52.5 -54.8 -36.2 32.8 24.1 43.2 178 188 A H H X S+ 0 0 132 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.964 112.2 43.2 -64.6 -52.0 35.7 25.0 45.4 179 189 A G H X S+ 0 0 24 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.850 110.1 58.6 -61.9 -34.7 35.7 28.6 44.1 180 190 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.915 106.3 47.6 -60.9 -45.1 31.9 28.7 44.3 181 191 A E H X S+ 0 0 77 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.938 110.5 50.9 -62.7 -47.6 32.0 27.9 48.0 182 192 A S H X S+ 0 0 75 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.883 111.5 49.7 -57.8 -36.6 34.7 30.6 48.7 183 193 A L H X S+ 0 0 44 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.946 112.7 44.9 -67.4 -50.8 32.5 33.1 46.8 184 194 A I H >X S+ 0 0 1 -4,-2.6 4,-1.8 2,-0.2 3,-0.6 0.943 114.3 49.1 -59.3 -48.8 29.3 32.3 48.7 185 195 A R H >X S+ 0 0 148 -4,-2.9 4,-2.1 1,-0.3 3,-0.5 0.948 107.3 54.9 -56.7 -50.1 31.1 32.3 52.0 186 196 A G H 3X S+ 0 0 43 -4,-2.4 4,-0.5 1,-0.3 -1,-0.3 0.791 106.3 52.9 -54.4 -30.6 32.8 35.6 51.2 187 197 A F H < S+ 0 0 41 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.980 118.5 38.8 -60.1 -56.1 25.9 40.3 55.0 192 202 A T T 3< S+ 0 0 109 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.755 102.7 72.4 -68.4 -23.3 26.4 39.5 58.7 193 203 A A T >4 S+ 0 0 13 -4,-0.5 3,-2.1 -5,-0.5 -1,-0.3 0.699 74.3 172.6 -65.1 -19.5 29.2 42.1 59.0 194 204 A L T << - 0 0 141 -3,-1.3 -1,-0.2 -4,-0.6 4,-0.1 -0.211 66.9 -25.2 51.1-121.4 26.5 44.8 58.8 195 205 A L T 3 S+ 0 0 158 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.312 110.5 111.0-105.0 4.9 28.0 48.3 59.5 196 206 A Q S < S- 0 0 134 -3,-2.1 2,-0.8 1,-0.1 -3,-0.0 -0.406 82.5 -98.4 -79.1 155.8 30.9 46.9 61.6 197 207 A I 0 0 176 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.689 360.0 360.0 -79.9 111.0 34.5 47.0 60.3 198 208 A V 0 0 132 -2,-0.8 -1,-0.2 -4,-0.1 -8,-0.0 0.734 360.0 360.0-109.1 360.0 35.2 43.6 58.9