==== 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 03-MAR-08 2VPR . COMPND 2 MOLECULE: TETRACYCLINE RESISTANCE REPRESSOR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PASTEURELLA MULTOCIDA; . AUTHOR L.SCHULDT,G.PALM,W.HINRICHS . 197 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 75.1 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 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 1 1 0 0 1 0 0 0 1 0 1 0 1 0 1 1 1 0 0 0 0 0 0 1 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 A 0 0 162 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-136.3 -24.3 25.8 20.6 2 3 A K + 0 0 152 1,-0.2 2,-0.5 0, 0.0 0, 0.0 0.294 360.0 98.0-162.7 -55.6 -21.9 28.8 19.6 3 4 A L + 0 0 30 4,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.476 31.0 174.2 -83.5 111.3 -19.5 30.4 22.1 4 5 A D > - 0 0 78 -2,-0.5 4,-1.6 1,-0.1 3,-0.4 -0.753 42.6-116.2-100.1 156.4 -15.8 29.5 22.2 5 6 A K H > S+ 0 0 99 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.895 112.2 56.1 -65.1 -35.8 -13.8 31.6 24.6 6 7 A E H > S+ 0 0 122 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.846 105.8 51.3 -66.2 -32.6 -11.6 33.1 21.9 7 8 A Q H > S+ 0 0 56 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.906 111.3 49.3 -67.1 -38.6 -14.7 34.4 20.0 8 9 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.943 113.4 45.3 -65.1 -44.2 -15.9 36.0 23.2 9 10 A I H X S+ 0 0 5 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.922 110.1 53.9 -68.8 -42.0 -12.5 37.6 23.8 10 11 A D H X S+ 0 0 49 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.904 110.0 48.0 -57.8 -39.8 -12.3 38.8 20.2 11 12 A N H X S+ 0 0 46 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.914 109.9 53.4 -66.4 -35.1 -15.7 40.4 20.6 12 13 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.834 105.2 53.0 -66.0 -37.0 -14.5 42.0 23.8 13 14 A L H X S+ 0 0 1 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.873 109.7 49.1 -67.3 -37.2 -11.4 43.4 22.1 14 15 A I H X S+ 0 0 78 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.927 112.5 48.7 -63.4 -44.1 -13.7 45.0 19.5 15 16 A L H X>S+ 0 0 2 -4,-2.5 4,-3.7 2,-0.2 5,-0.7 0.904 104.1 58.1 -65.3 -41.0 -15.9 46.4 22.2 16 17 A L H X5S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.944 110.3 44.5 -54.7 -48.1 -13.0 47.8 24.2 17 18 A N H <5S+ 0 0 70 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.894 116.4 47.6 -62.4 -38.2 -12.0 49.9 21.2 18 19 A E H <5S+ 0 0 109 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.906 133.7 8.8 -73.2 -40.8 -15.6 50.9 20.6 19 20 A V H X5S- 0 0 47 -4,-3.7 4,-0.7 -5,-0.1 -3,-0.2 0.596 97.6-128.2-121.7 -12.1 -16.6 51.9 24.2 20 21 A G H X< - 0 0 1 -4,-2.3 4,-1.5 -5,-0.7 -3,-0.1 0.054 41.2 -62.3 83.2 165.6 -13.4 52.0 26.3 21 22 A I H 4 S+ 0 0 19 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.793 130.4 51.9 -58.0 -34.2 -12.5 50.3 29.6 22 23 A E H 4 S+ 0 0 149 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.969 115.0 39.0 -70.3 -51.4 -15.2 52.2 31.6 23 24 A G H < S+ 0 0 30 -4,-0.7 2,-0.5 -7,-0.1 -2,-0.2 0.577 90.3 106.5 -77.4 -12.0 -18.2 51.5 29.3 24 25 A L < + 0 0 0 -4,-1.5 2,-0.3 -5,-0.1 3,-0.1 -0.582 49.8 166.7 -65.7 117.3 -17.1 47.9 28.7 25 26 A T > - 0 0 48 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.936 50.6-120.2-130.9 163.6 -19.4 45.6 30.7 26 27 A T H > S+ 0 0 28 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.948 117.3 53.6 -60.4 -45.5 -20.2 42.0 30.9 27 28 A R H > S+ 0 0 162 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.860 109.7 47.7 -60.5 -34.9 -23.8 42.9 30.0 28 29 A K H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.853 106.3 55.7 -77.8 -32.4 -22.6 44.7 26.9 29 30 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.928 106.8 52.3 -60.4 -43.2 -20.3 41.9 25.8 30 31 A A H X>S+ 0 0 2 -4,-2.2 5,-2.5 2,-0.2 4,-1.3 0.818 107.5 52.6 -62.0 -36.2 -23.4 39.7 25.9 31 32 A Q H ><5S+ 0 0 114 -4,-1.1 3,-1.0 2,-0.2 -2,-0.2 0.994 111.9 43.8 -58.1 -62.9 -25.3 42.2 23.7 32 33 A K H 3<5S+ 0 0 67 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.861 114.1 50.7 -55.0 -41.5 -22.6 42.3 21.0 33 34 A I H 3<5S- 0 0 13 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.772 109.2-122.9 -71.0 -27.1 -22.2 38.5 21.1 34 35 A G T <<5S+ 0 0 69 -4,-1.3 2,-0.3 -3,-1.0 -3,-0.2 0.785 70.1 114.9 89.6 35.6 -25.9 37.9 20.7 35 36 A V < - 0 0 36 -5,-2.5 -1,-0.3 -6,-0.1 2,-0.1 -0.849 68.6 -95.2-139.7 162.2 -26.2 35.8 23.9 36 37 A E >> - 0 0 139 -2,-0.3 4,-1.4 1,-0.1 3,-1.0 -0.449 38.6-114.7 -75.1 150.3 -27.7 35.6 27.4 37 38 A Q H >> S+ 0 0 68 1,-0.2 4,-2.8 2,-0.2 3,-0.7 0.939 111.8 52.7 -46.8 -57.9 -25.7 36.7 30.4 38 39 A P H 34 S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.567 105.9 54.0 -70.6 -6.5 -25.4 33.3 32.1 39 40 A T H X4 S+ 0 0 52 -3,-1.0 3,-0.6 2,-0.1 4,-0.3 0.777 111.8 45.0 -86.4 -32.3 -24.0 31.7 28.9 40 41 A L H XX S+ 0 0 0 -4,-1.4 3,-2.8 -3,-0.7 4,-1.9 0.908 99.9 73.9 -66.7 -42.3 -21.3 34.4 28.8 41 42 A Y T 3< S+ 0 0 87 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.1 0.644 87.0 61.0 -44.2 -27.3 -20.8 33.8 32.6 42 43 A W T <4 S+ 0 0 196 -3,-0.6 -1,-0.3 -4,-0.1 3,-0.2 0.761 112.5 35.8 -79.2 -22.7 -19.0 30.5 31.9 43 44 A H T <4 S+ 0 0 71 -3,-2.8 2,-0.4 1,-0.3 -2,-0.2 0.865 136.0 17.1 -91.6 -43.1 -16.2 32.2 29.9 44 45 A V < - 0 0 6 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.1 -0.956 66.4-169.5-137.2 106.0 -15.9 35.4 31.9 45 46 A K - 0 0 133 -2,-0.4 2,-0.3 -3,-0.2 -4,-0.1 0.718 69.3 -7.0 -78.9 -23.8 -17.5 35.3 35.4 46 47 A N S > S- 0 0 84 1,-0.1 4,-1.8 -20,-0.0 5,-0.1 -0.928 80.8 -87.0-155.6 179.3 -17.3 39.0 36.1 47 48 A K H > S+ 0 0 67 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.877 123.8 53.1 -60.7 -42.2 -15.9 42.3 34.8 48 49 A R H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 108.3 49.2 -60.6 -46.0 -12.5 41.7 36.6 49 50 A A H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 111.8 51.0 -58.8 -39.9 -12.2 38.3 35.0 50 51 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.926 110.9 46.2 -65.7 -51.0 -13.0 39.9 31.6 51 52 A L H X S+ 0 0 12 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.755 111.5 52.2 -59.1 -34.2 -10.4 42.7 31.9 52 53 A D H X S+ 0 0 65 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.903 108.2 52.4 -72.8 -38.4 -7.8 40.2 33.1 53 54 A A H X S+ 0 0 15 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.961 110.9 46.5 -57.8 -52.0 -8.6 38.1 30.1 54 55 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.907 108.8 56.1 -55.6 -43.7 -8.1 41.2 27.8 55 56 A A H X S+ 0 0 6 -4,-2.0 4,-1.0 43,-0.2 -1,-0.2 0.926 114.4 38.8 -54.8 -46.7 -4.9 42.0 29.5 56 57 A E H X S+ 0 0 27 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.926 116.9 46.8 -70.6 -49.3 -3.5 38.6 28.8 57 58 A T H X S+ 0 0 6 -4,-2.5 4,-2.7 1,-0.3 -2,-0.2 0.802 106.3 58.3 -71.1 -34.5 -4.8 38.1 25.3 58 59 A I H X S+ 0 0 5 -4,-2.8 4,-2.1 -5,-0.3 5,-0.3 0.869 112.0 43.5 -57.7 -38.0 -3.7 41.5 24.1 59 60 A L H X S+ 0 0 14 -4,-1.0 4,-2.6 -5,-0.3 -2,-0.2 0.941 111.6 52.3 -78.5 -42.8 -0.2 40.4 25.2 60 61 A Q H < S+ 0 0 98 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.892 117.9 40.2 -52.0 -40.9 -0.6 37.0 23.6 61 62 A K H < S+ 0 0 83 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.841 134.1 13.9 -81.2 -35.5 -1.6 38.7 20.3 62 63 A H H < S+ 0 0 67 -4,-2.1 2,-0.9 -5,-0.2 -3,-0.2 0.572 103.1 82.6-125.4 -9.6 0.7 41.7 20.2 63 64 A H < + 0 0 20 -4,-2.6 -1,-0.1 -5,-0.3 3,-0.1 -0.822 45.6 149.5-102.8 92.5 3.6 41.1 22.7 64 65 A H + 0 0 132 -2,-0.9 2,-1.0 1,-0.2 3,-0.3 0.517 50.0 79.7-104.4 -13.7 6.0 38.9 20.8 65 66 A H + 0 0 29 1,-0.2 -1,-0.2 15,-0.2 20,-0.1 -0.295 54.3 133.7 -90.4 58.6 9.4 39.9 22.1 66 67 A V + 0 0 39 -2,-1.0 -1,-0.2 -3,-0.1 49,-0.1 0.604 62.3 38.8 -79.9 -14.2 8.8 37.7 25.2 67 68 A L S S- 0 0 53 -3,-0.3 2,-0.1 47,-0.0 45,-0.0 -0.950 90.3 -93.3-142.7 148.6 12.3 36.0 25.2 68 69 A P - 0 0 35 0, 0.0 6,-0.1 0, 0.0 -2,-0.1 -0.440 42.1-129.5 -64.7 136.3 15.9 36.8 24.5 69 70 A L > - 0 0 80 4,-0.1 3,-3.2 -2,-0.1 8,-0.1 -0.652 26.9-105.4 -86.6 147.7 16.8 36.1 20.9 70 71 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.784 121.4 47.8 -39.2 -39.4 20.0 33.9 20.4 71 72 A N T 3 S+ 0 0 130 2,-0.0 2,-0.4 5,-0.0 5,-0.1 0.305 93.8 112.0 -89.1 8.4 21.9 37.0 19.3 72 73 A E < - 0 0 22 -3,-3.2 2,-0.2 4,-0.1 0, 0.0 -0.708 54.2-150.5 -99.8 134.0 20.8 39.3 22.2 73 74 A T > - 0 0 65 -2,-0.4 4,-3.2 1,-0.1 5,-0.2 -0.529 41.7-106.6 -73.0 155.2 22.6 40.8 25.1 74 75 A W H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.853 126.8 57.2 -53.7 -35.3 20.5 41.4 28.2 75 76 A Q H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.954 108.4 44.8 -53.1 -55.1 20.7 45.0 27.2 76 77 A D H > S+ 0 0 53 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.932 113.7 50.9 -59.6 -46.4 19.2 44.1 23.7 77 78 A F H X S+ 0 0 0 -4,-3.2 4,-3.8 1,-0.2 5,-0.3 0.956 109.9 47.2 -58.5 -54.1 16.6 42.0 25.3 78 79 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.915 114.4 48.9 -53.0 -46.5 15.4 44.6 27.8 79 80 A R H X S+ 0 0 64 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.982 117.3 39.0 -58.6 -55.0 15.3 47.2 25.1 80 81 A N H X S+ 0 0 55 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.849 114.9 53.9 -72.1 -32.4 13.4 45.1 22.6 81 82 A N H X S+ 0 0 15 -4,-3.8 4,-2.4 -5,-0.3 -1,-0.2 0.931 111.5 45.6 -57.8 -46.9 11.2 43.5 25.3 82 83 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.946 112.2 50.1 -69.6 -44.4 10.1 47.0 26.5 83 84 A K H X S+ 0 0 84 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.895 112.8 48.3 -56.0 -44.3 9.5 48.3 23.0 84 85 A S H X S+ 0 0 21 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.894 110.4 50.5 -66.2 -43.0 7.3 45.3 22.3 85 86 A F H X S+ 0 0 15 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.892 111.5 49.0 -60.2 -40.3 5.4 45.6 25.5 86 87 A R H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.897 110.1 47.7 -71.4 -42.8 4.7 49.3 24.8 87 88 A Q H X S+ 0 0 102 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.857 111.8 54.1 -66.1 -29.6 3.5 48.8 21.2 88 89 A A H X S+ 0 0 0 -4,-1.6 4,-0.5 -5,-0.2 3,-0.4 0.904 109.2 45.9 -72.5 -38.2 1.3 46.0 22.6 89 90 A L H >< S+ 0 0 2 -4,-2.2 3,-0.5 1,-0.2 6,-0.3 0.836 111.3 54.0 -69.2 -33.4 -0.2 48.4 25.2 90 91 A L H 3< S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.692 89.5 79.4 -70.9 -19.8 -0.8 51.0 22.5 91 92 A M H 3< S+ 0 0 89 -4,-0.8 2,-0.3 -3,-0.4 -1,-0.2 0.882 94.0 45.3 -61.8 -39.5 -2.7 48.7 20.3 92 93 A Y S X< S- 0 0 33 -4,-0.5 3,-2.1 -3,-0.5 4,-0.3 -0.794 92.6-101.5-111.5 145.8 -5.9 48.9 22.2 93 94 A R T 3 S+ 0 0 95 -2,-0.3 -73,-0.1 1,-0.3 -74,-0.1 -0.424 113.8 7.6 -53.7 131.2 -7.9 51.9 23.6 94 95 A D T 3> S+ 0 0 7 1,-0.1 4,-2.7 -2,-0.1 -1,-0.3 0.652 86.1 147.0 60.6 20.0 -7.2 52.0 27.4 95 96 A G H <> + 0 0 2 -3,-2.1 4,-1.9 -6,-0.3 5,-0.2 0.833 69.3 52.5 -52.7 -33.7 -4.6 49.3 26.8 96 97 A G H > S+ 0 0 0 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.920 111.3 43.6 -72.5 -43.3 -2.6 50.8 29.7 97 98 A K H 4 S+ 0 0 47 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.790 109.3 59.2 -70.3 -26.4 -5.5 50.8 32.1 98 99 A I H < S+ 0 0 1 -4,-2.7 -43,-0.2 1,-0.2 -2,-0.2 0.959 112.3 39.3 -65.6 -43.2 -6.4 47.2 31.0 99 100 A H H >< S+ 0 0 37 -4,-1.9 3,-2.2 -5,-0.2 -2,-0.2 0.903 90.3 108.2 -70.6 -39.7 -2.9 46.0 32.0 100 101 A A T 3< S+ 0 0 46 -4,-2.1 3,-0.1 1,-0.3 -45,-0.1 -0.075 86.7 10.7 -53.3 133.2 -2.5 48.0 35.2 101 102 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.374 96.8 122.4 84.8 -1.7 -2.8 45.9 38.4 102 103 A T < - 0 0 23 -3,-2.2 -1,-0.3 -4,-0.0 -3,-0.0 -0.278 51.8-140.8 -81.1 172.4 -2.6 42.5 36.7 103 104 A R - 0 0 198 -3,-0.1 -1,-0.0 -2,-0.0 -3,-0.0 -0.941 42.0 -75.3-127.8 154.7 -0.1 39.8 37.5 104 105 A P - 0 0 71 0, 0.0 2,-0.2 0, 0.0 5,-0.0 -0.122 54.9-123.1 -57.2 149.1 1.4 37.6 34.8 105 106 A S > - 0 0 21 1,-0.1 3,-2.3 -49,-0.1 4,-0.3 -0.476 20.5-105.9 -92.0 163.0 -0.8 34.8 33.5 106 107 A E G > S+ 0 0 146 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.898 123.7 57.8 -50.1 -43.2 -0.5 31.1 33.4 107 108 A S G 3 S+ 0 0 46 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.640 110.7 43.4 -65.2 -12.3 0.1 31.5 29.6 108 109 A Q G <> S+ 0 0 27 -3,-2.3 4,-2.6 1,-0.1 5,-0.3 0.287 85.8 96.8-111.8 4.5 3.0 33.8 30.5 109 110 A F H <> S+ 0 0 112 -3,-1.8 4,-2.3 -4,-0.3 5,-0.2 0.877 83.4 46.6 -69.2 -39.0 4.7 31.8 33.3 110 111 A E H > S+ 0 0 120 -4,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.844 118.8 40.0 -77.5 -34.0 7.3 29.9 31.3 111 112 A T H > S+ 0 0 29 2,-0.2 4,-2.3 -4,-0.1 -2,-0.2 0.920 117.6 47.2 -79.7 -45.9 8.5 33.0 29.4 112 113 A S H X S+ 0 0 32 -4,-2.6 4,-1.9 1,-0.3 5,-0.2 0.950 111.7 51.4 -64.1 -44.7 8.3 35.4 32.4 113 114 A E H X S+ 0 0 125 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.3 0.891 111.2 50.4 -46.0 -44.8 10.1 32.8 34.6 114 115 A Q H X S+ 0 0 102 -4,-1.0 4,-3.1 1,-0.2 -2,-0.2 0.843 103.3 57.5 -68.4 -36.1 12.7 32.7 31.8 115 116 A Q H X S+ 0 0 21 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.893 110.7 44.0 -62.7 -40.6 13.0 36.5 31.7 116 117 A L H X S+ 0 0 45 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.935 113.7 49.2 -71.7 -44.7 14.0 36.5 35.3 117 118 A Q H X S+ 0 0 96 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.964 108.8 54.3 -56.7 -48.3 16.3 33.5 35.0 118 119 A F H X S+ 0 0 48 -4,-3.1 4,-0.7 1,-0.2 -1,-0.2 0.900 109.9 46.7 -53.8 -42.6 17.9 35.2 32.0 119 120 A L H X>S+ 0 0 0 -4,-1.7 5,-1.7 2,-0.2 4,-0.5 0.872 111.8 50.4 -69.5 -36.1 18.6 38.3 34.2 120 121 A C H ><5S+ 0 0 42 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.880 108.7 52.3 -65.7 -40.5 20.0 36.3 37.1 121 122 A D H 3<5S+ 0 0 119 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.715 103.3 61.0 -66.3 -20.2 22.3 34.5 34.7 122 123 A A H 3<5S- 0 0 36 -4,-0.7 -1,-0.2 -5,-0.3 -2,-0.2 0.678 130.7 -86.6 -81.6 -17.4 23.4 37.9 33.5 123 124 A G T <<5S+ 0 0 51 -3,-1.0 -3,-0.2 -4,-0.5 2,-0.1 0.057 88.3 124.3 133.2 -25.0 24.8 38.9 37.0 124 125 A F < - 0 0 6 -5,-1.7 -1,-0.4 1,-0.1 -2,-0.1 -0.406 58.8-126.0 -69.6 137.5 21.7 40.4 38.7 125 126 A S > - 0 0 59 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.299 36.3-102.3 -64.0 166.6 20.4 39.1 42.0 126 127 A L H > S+ 0 0 108 2,-0.2 4,-3.4 1,-0.2 3,-0.4 0.978 123.2 53.4 -56.5 -57.1 16.7 38.0 42.0 127 128 A S H > S+ 0 0 62 1,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.897 110.2 48.8 -42.9 -53.3 15.6 41.1 43.7 128 129 A Q H > S+ 0 0 62 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.850 112.7 46.0 -56.1 -45.5 17.4 43.2 41.0 129 130 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -3,-0.4 5,-0.3 0.930 114.2 49.1 -65.0 -46.9 15.9 41.2 38.2 130 131 A V H X S+ 0 0 53 -4,-3.4 4,-2.2 1,-0.2 5,-0.3 0.921 113.4 46.7 -59.4 -44.5 12.4 41.4 39.7 131 132 A Y H X S+ 0 0 151 -4,-3.3 4,-1.8 -5,-0.3 -1,-0.2 0.829 112.5 49.6 -69.2 -34.0 12.8 45.1 40.3 132 133 A A H X S+ 0 0 9 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.892 115.8 40.7 -71.6 -45.4 14.1 45.8 36.7 133 134 A L H X S+ 0 0 25 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.954 117.9 48.1 -67.4 -55.5 11.3 43.8 34.9 134 135 A S H X S+ 0 0 50 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.929 115.5 44.4 -40.9 -56.7 8.6 45.1 37.1 135 136 A S H X S+ 0 0 59 -4,-1.8 4,-3.4 -5,-0.3 5,-0.2 0.880 107.5 55.1 -75.9 -38.1 9.7 48.7 36.8 136 137 A I H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.841 110.7 50.4 -56.0 -35.7 10.3 48.7 33.0 137 138 A A H X S+ 0 0 25 -4,-1.8 4,-3.3 2,-0.2 5,-0.3 0.955 111.4 46.6 -61.7 -53.6 6.7 47.5 32.8 138 139 A H H X S+ 0 0 125 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.901 114.3 48.5 -55.5 -43.2 5.6 50.4 35.2 139 140 A F H X S+ 0 0 53 -4,-3.4 4,-2.6 2,-0.2 -1,-0.2 0.951 115.2 43.0 -63.2 -48.9 7.7 52.8 33.1 140 141 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.899 115.6 48.9 -62.8 -44.2 6.3 51.7 29.8 141 142 A L H X S+ 0 0 27 -4,-3.3 4,-3.1 2,-0.2 5,-0.3 0.886 112.3 48.4 -66.0 -38.5 2.7 51.5 31.2 142 143 A G H X S+ 0 0 30 -4,-2.4 4,-2.2 -5,-0.3 5,-0.2 0.949 110.8 51.2 -69.8 -41.8 3.0 54.9 32.7 143 144 A S H X S+ 0 0 19 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.948 115.8 41.8 -57.9 -45.0 4.4 56.2 29.4 144 145 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.842 111.3 52.8 -76.0 -37.2 1.4 54.7 27.5 145 146 A L H X S+ 0 0 57 -4,-3.1 4,-2.4 2,-0.2 5,-0.3 0.901 111.7 49.1 -64.8 -37.5 -1.4 55.6 30.0 146 147 A E H X S+ 0 0 144 -4,-2.2 4,-2.9 -5,-0.3 -2,-0.2 0.981 113.2 42.9 -67.7 -53.6 -0.2 59.2 29.9 147 148 A T H X S+ 0 0 20 -4,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.878 117.6 48.7 -62.1 -34.0 -0.0 59.5 26.1 148 149 A Q H X S+ 0 0 19 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.944 114.1 42.9 -71.5 -46.2 -3.4 57.6 25.7 149 150 A E H X S+ 0 0 67 -4,-2.4 4,-0.6 -5,-0.2 -2,-0.2 0.856 113.7 56.4 -68.1 -33.1 -5.3 59.6 28.3 150 151 A H H >< S+ 0 0 87 -4,-2.9 3,-1.5 -5,-0.3 -2,-0.2 0.969 108.0 42.6 -60.8 -56.3 -3.7 62.8 26.8 151 152 A Q H 3< S+ 0 0 98 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.781 112.0 56.0 -69.6 -23.0 -4.8 62.4 23.2 152 153 A E H 3< S+ 0 0 83 -4,-1.5 2,-0.8 -5,-0.2 -1,-0.3 0.677 86.7 101.0 -71.4 -19.8 -8.3 61.3 24.4 153 154 A S << - 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