==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 09-JUN-11 3ZQF . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, ESCHERICHIA COLI; . AUTHOR M.SEVVANA,D.GOEKE,C.STOECKLE,D.KASPAR,S.GRUBMUELLER,C.GOETZ, . 196 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 75.5 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 64.3 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 1 0 1 1 1 0 0 0 1 0 1 2 0 0 1 1 0 1 0 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 3 A R 0 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 1.2 8.5 21.1 9.6 2 4 A L + 0 0 31 4,-0.1 2,-0.1 5,-0.0 3,-0.0 -0.183 360.0 142.4-127.5 38.2 9.9 24.7 9.9 3 5 A D > - 0 0 88 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.447 69.1-104.2 -64.1 151.7 7.7 25.2 12.9 4 6 A K H > S+ 0 0 173 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.953 120.6 53.0 -49.5 -57.2 9.7 27.3 15.3 5 7 A S H > S+ 0 0 65 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.912 109.5 50.5 -49.8 -44.1 10.6 24.5 17.7 6 8 A K H > S+ 0 0 94 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.892 109.2 49.8 -62.2 -41.7 11.9 22.4 14.7 7 9 A V H X S+ 0 0 9 -4,-2.1 4,-3.0 -3,-0.4 5,-0.2 0.991 115.1 45.6 -55.9 -56.3 14.2 25.2 13.4 8 10 A I H X S+ 0 0 19 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.924 113.4 47.2 -54.8 -53.0 15.5 25.7 17.0 9 11 A N H X S+ 0 0 69 -4,-3.1 4,-2.8 -5,-0.3 -1,-0.2 0.905 113.7 49.2 -55.5 -39.7 16.1 21.9 17.7 10 12 A S H X S+ 0 0 17 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.954 111.6 48.5 -68.4 -49.6 17.8 21.5 14.4 11 13 A A H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 -2,-0.2 0.906 111.4 49.3 -51.5 -49.2 20.0 24.5 15.0 12 14 A L H X S+ 0 0 4 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.963 110.9 50.7 -57.3 -46.8 20.9 23.2 18.5 13 15 A E H X S+ 0 0 111 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.903 110.7 50.2 -58.9 -39.9 21.7 19.8 16.9 14 16 A L H >X>S+ 0 0 8 -4,-2.7 4,-3.3 1,-0.2 3,-1.3 0.951 103.1 58.5 -63.3 -49.4 23.8 21.6 14.4 15 17 A L H 3X5S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.3 -1,-0.2 0.874 106.8 48.6 -45.5 -41.4 25.7 23.5 17.0 16 18 A N H 3<5S+ 0 0 75 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.762 113.6 47.1 -74.3 -23.6 26.8 20.3 18.6 17 19 A E H <<5S+ 0 0 105 -3,-1.3 -2,-0.2 -4,-1.0 -1,-0.2 0.874 135.1 8.5 -81.0 -40.7 27.9 18.9 15.3 18 20 A V H X5S- 0 0 40 -4,-3.3 4,-0.9 1,-0.1 -3,-0.2 0.492 94.4-133.9-124.3 -12.1 29.8 21.9 14.1 19 21 A G H X< - 0 0 0 -4,-2.6 4,-2.4 -5,-0.6 -1,-0.1 -0.016 43.9 -58.3 72.1 176.1 30.1 24.4 17.0 20 22 A I H 4 S+ 0 0 22 2,-0.2 -1,-0.2 1,-0.2 -4,-0.0 0.843 133.4 46.9 -67.7 -37.9 29.5 28.1 16.9 21 23 A E H 4 S+ 0 0 153 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.983 115.2 46.9 -71.3 -49.2 32.1 29.0 14.3 22 24 A G H < S+ 0 0 26 -4,-0.9 -2,-0.2 -7,-0.1 -1,-0.2 0.840 89.2 98.3 -58.4 -38.4 30.9 26.3 11.9 23 25 A L < + 0 0 0 -4,-2.4 2,-0.3 -8,-0.1 3,-0.1 -0.308 47.5 160.3 -58.9 130.3 27.2 26.9 12.3 24 26 A T >> - 0 0 49 1,-0.1 4,-2.3 21,-0.0 3,-0.6 -0.989 51.2-116.4-146.7 150.9 25.8 29.1 9.3 25 27 A T H 3> S+ 0 0 41 -2,-0.3 4,-3.6 1,-0.3 5,-0.3 0.928 115.0 61.7 -59.4 -41.2 22.3 29.6 8.0 26 28 A R H 3> S+ 0 0 161 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.899 109.1 42.0 -43.9 -47.2 23.4 28.0 4.7 27 29 A K H <> S+ 0 0 80 -3,-0.6 4,-3.4 2,-0.2 -1,-0.2 0.883 111.7 54.1 -74.6 -33.6 24.1 24.8 6.6 28 30 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.979 109.8 48.8 -60.1 -53.1 21.0 25.1 8.7 29 31 A A H X>S+ 0 0 1 -4,-3.6 5,-2.4 1,-0.2 4,-1.5 0.897 112.4 48.9 -45.5 -49.6 19.0 25.4 5.5 30 32 A Q H <5S+ 0 0 138 -4,-2.0 3,-0.3 -5,-0.3 -1,-0.2 0.926 109.3 50.9 -67.1 -46.4 20.8 22.3 4.1 31 33 A K H <5S+ 0 0 66 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.921 113.8 44.0 -53.1 -50.5 20.2 20.3 7.3 32 34 A L H <5S- 0 0 17 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.677 113.1-124.6 -69.8 -21.6 16.5 21.1 7.2 33 35 A G T <5 + 0 0 57 -4,-1.5 2,-0.3 -3,-0.3 -3,-0.2 0.844 66.5 122.6 80.1 35.5 16.5 20.4 3.4 34 36 A V < - 0 0 30 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.2 -0.810 69.3 -94.3-124.4 167.6 15.1 23.7 2.3 35 37 A E >> - 0 0 147 -2,-0.3 4,-1.9 1,-0.1 3,-0.9 -0.515 38.0-117.3 -77.9 148.4 16.2 26.3 0.1 36 38 A Q H 3> S+ 0 0 91 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.868 112.4 54.3 -59.5 -41.0 18.1 29.3 1.8 37 39 A P H 3> S+ 0 0 95 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.809 107.0 53.9 -67.4 -21.9 15.6 32.0 0.9 38 40 A T H X> S+ 0 0 66 -3,-0.9 3,-1.0 2,-0.2 4,-0.5 0.964 111.0 43.7 -69.3 -57.9 12.9 29.8 2.5 39 41 A L H >X S+ 0 0 2 -4,-1.9 3,-2.4 1,-0.2 4,-1.4 0.924 107.1 62.9 -42.5 -50.8 14.7 29.5 5.8 40 42 A Y H 3< S+ 0 0 160 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.760 90.2 66.3 -53.8 -30.5 15.5 33.2 5.5 41 43 A W H << S+ 0 0 205 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.801 113.5 33.2 -54.3 -30.2 11.7 34.0 5.7 42 44 A H H << S+ 0 0 87 -3,-2.4 2,-0.4 -4,-0.5 -2,-0.2 0.683 125.5 37.9-100.1 -25.8 11.9 32.6 9.3 43 45 A V < - 0 0 18 -4,-1.4 -1,-0.2 1,-0.1 6,-0.1 -0.904 60.5-157.3-143.9 103.5 15.4 33.7 10.3 44 46 A K - 0 0 165 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.840 66.9 -50.5 -50.1 -47.4 17.0 37.0 9.4 45 47 A N > - 0 0 58 1,-0.1 4,-1.5 -20,-0.0 5,-0.1 -0.926 69.7 -62.4-171.7-174.4 20.6 35.9 9.9 46 48 A K H > S+ 0 0 68 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.893 122.9 54.9 -61.2 -46.8 23.1 34.2 12.2 47 49 A R H > S+ 0 0 153 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.961 108.9 49.3 -55.0 -50.2 22.9 36.8 15.1 48 50 A A H > S+ 0 0 36 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.879 112.0 49.6 -53.7 -37.9 19.1 36.4 15.3 49 51 A L H X S+ 0 0 6 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.897 108.8 50.7 -73.5 -40.6 19.6 32.7 15.4 50 52 A L H X S+ 0 0 28 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.933 106.5 57.0 -58.8 -43.1 22.1 32.7 18.1 51 53 A D H X S+ 0 0 39 -4,-2.7 4,-2.5 1,-0.3 5,-0.2 0.943 107.8 45.1 -57.8 -45.3 19.9 34.9 20.2 52 54 A A H X S+ 0 0 40 -4,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.852 112.6 53.4 -68.9 -26.9 17.0 32.4 20.1 53 55 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.906 107.7 49.4 -73.4 -39.0 19.4 29.6 20.9 54 56 A A H X S+ 0 0 4 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.968 113.9 46.4 -65.1 -53.2 20.8 31.4 23.9 55 57 A I H X S+ 0 0 41 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.873 111.2 51.4 -56.5 -39.5 17.3 32.0 25.1 56 58 A E H X S+ 0 0 62 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.908 107.7 51.5 -73.4 -35.3 16.2 28.5 24.5 57 59 A M H X S+ 0 0 5 -4,-2.4 4,-1.3 1,-0.2 3,-0.5 0.914 110.3 50.0 -63.8 -44.0 19.0 26.9 26.4 58 60 A L H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.875 105.8 57.7 -62.1 -37.5 18.3 29.1 29.3 59 61 A D H < S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.808 105.9 48.1 -68.5 -22.7 14.6 28.1 29.2 60 62 A R H < S+ 0 0 99 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.813 128.6 20.4 -81.8 -26.9 15.3 24.4 29.6 61 63 A H H < S+ 0 0 54 -4,-1.3 2,-2.2 -3,-0.2 -2,-0.2 0.738 98.8 85.6-115.7 -33.4 17.7 24.7 32.5 62 64 A H < + 0 0 31 -4,-2.7 -1,-0.1 -5,-0.3 13,-0.1 -0.538 48.1 133.2 -76.5 84.6 17.1 28.0 34.1 63 65 A T 0 0 111 -2,-2.2 -1,-0.2 1,-0.2 -4,-0.1 0.142 360.0 360.0-125.1 8.1 14.3 26.5 36.1 64 66 A H 0 0 124 -3,-0.2 -1,-0.2 11,-0.1 14,-0.1 -0.503 360.0 360.0-132.7 360.0 15.7 28.2 39.3 65 ! 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 66 73 A E 0 0 223 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 1.9 15.3 28.9 51.2 67 74 A S >> - 0 0 39 1,-0.1 4,-2.6 4,-0.0 3,-0.5 -0.342 360.0 -99.8 -89.8 171.8 17.9 31.4 52.0 68 75 A W H 3> S+ 0 0 23 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.851 121.7 60.2 -62.3 -29.8 19.8 33.7 49.7 69 76 A Q H 3> S+ 0 0 24 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.829 107.8 46.4 -71.7 -25.7 22.8 31.3 49.9 70 77 A D H <> S+ 0 0 56 -3,-0.5 4,-2.7 2,-0.2 5,-0.4 0.942 113.3 47.1 -79.7 -41.5 20.6 28.7 48.5 71 78 A F H X S+ 0 0 33 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.999 113.0 48.3 -59.7 -68.4 19.2 30.9 45.8 72 79 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.902 115.4 46.3 -27.5 -55.8 22.7 32.2 44.7 73 80 A R H X S+ 0 0 43 -4,-1.5 4,-2.2 -5,-0.3 -1,-0.2 0.961 115.6 41.9 -67.6 -50.9 24.1 28.7 44.6 74 81 A N H X S+ 0 0 49 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.849 113.1 57.7 -62.5 -31.1 21.3 27.0 42.7 75 82 A N H X S+ 0 0 5 -4,-3.2 4,-2.2 -5,-0.4 -2,-0.2 0.997 107.1 44.5 -63.9 -60.4 21.2 30.0 40.5 76 83 A A H X S+ 0 0 1 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.844 114.5 53.4 -43.4 -41.7 24.8 29.7 39.5 77 84 A K H X S+ 0 0 81 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.959 108.0 45.2 -70.2 -47.0 24.2 26.0 39.0 78 85 A S H X S+ 0 0 9 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.874 113.6 52.2 -67.5 -28.9 21.3 26.1 36.7 79 86 A F H >X S+ 0 0 6 -4,-2.2 4,-2.5 -5,-0.3 3,-1.5 0.998 109.1 50.2 -66.9 -56.2 23.1 28.8 34.7 80 87 A R H 3X S+ 0 0 18 -4,-2.6 4,-2.1 1,-0.3 -2,-0.2 0.824 109.4 52.0 -42.3 -40.0 26.2 26.6 34.4 81 88 A N H 3< S+ 0 0 73 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.807 106.7 52.3 -73.1 -29.6 24.1 23.7 33.2 82 89 A A H X< S+ 0 0 0 -3,-1.5 3,-1.4 -4,-1.3 4,-0.4 0.921 111.4 45.9 -74.3 -45.7 22.4 25.8 30.5 83 90 A L H >< S+ 0 0 4 -4,-2.5 3,-0.7 1,-0.3 6,-0.4 0.888 114.0 49.9 -63.9 -34.6 25.7 26.9 29.1 84 91 A L T 3< S+ 0 0 57 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.555 87.2 89.8 -73.8 -3.7 27.0 23.3 29.3 85 92 A S T < S+ 0 0 36 -3,-1.4 2,-0.3 -4,-0.1 -1,-0.2 0.873 94.6 19.7 -74.4 -28.1 24.1 22.0 27.6 86 93 A H S X S- 0 0 24 -3,-0.7 3,-2.3 -4,-0.4 4,-0.2 -0.896 97.2 -75.8-134.1 158.6 25.5 22.4 24.1 87 94 A R T 3 S- 0 0 116 -2,-0.3 5,-0.1 1,-0.3 -70,-0.1 -0.205 118.6 -0.6 -46.4 133.9 28.8 22.7 22.3 88 95 A D T 3> S+ 0 0 19 54,-0.2 4,-2.6 1,-0.1 -1,-0.3 0.697 83.9 152.7 57.7 19.5 30.1 26.3 22.8 89 96 A G H <> + 0 0 1 -3,-2.3 4,-2.3 -6,-0.4 -5,-0.2 0.874 69.7 53.3 -44.3 -45.5 27.0 27.2 24.8 90 97 A A H > S+ 0 0 0 -7,-0.4 4,-1.5 -4,-0.2 -1,-0.2 0.957 107.3 47.9 -59.5 -53.5 29.0 29.8 26.6 91 98 A K H >4 S+ 0 0 54 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.933 111.0 55.6 -57.8 -34.8 30.2 31.5 23.5 92 99 A V H 3< S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.919 104.1 51.8 -61.4 -43.6 26.7 31.4 22.3 93 100 A H H >< S+ 0 0 11 -4,-2.3 3,-1.3 -3,-0.2 -1,-0.2 0.740 86.8 103.4 -69.1 -28.7 25.3 33.2 25.3 94 101 A L T << S+ 0 0 79 -4,-1.5 3,-0.1 -3,-0.5 -40,-0.1 -0.239 89.1 8.9 -54.4 135.3 27.7 36.1 25.0 95 102 A G T 3 S+ 0 0 44 1,-0.2 2,-0.4 99,-0.0 -1,-0.3 0.834 86.5 150.4 62.4 30.3 26.4 39.3 23.6 96 103 A T < - 0 0 1 -3,-1.3 -1,-0.2 98,-0.1 101,-0.1 -0.777 48.1-123.1 -85.0 140.7 22.8 38.1 23.6 97 104 A R - 0 0 176 -2,-0.4 2,-0.1 -3,-0.1 97,-0.0 -0.718 33.1-110.2 -84.9 134.0 20.3 40.9 24.1 98 105 A P - 0 0 31 0, 0.0 99,-0.1 0, 0.0 -1,-0.1 -0.328 26.9-128.5 -66.4 144.1 18.0 40.3 27.2 99 106 A T > - 0 0 41 97,-0.2 4,-1.4 -2,-0.1 5,-0.1 -0.212 25.9-104.0 -86.4 177.5 14.2 39.5 27.0 100 107 A E H > S+ 0 0 156 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.918 122.6 49.5 -68.2 -43.5 11.2 41.2 28.7 101 108 A K H > S+ 0 0 111 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.885 104.9 60.2 -63.3 -37.0 11.0 38.3 31.2 102 109 A Q H > S+ 0 0 7 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.878 104.6 46.3 -69.9 -32.9 14.7 38.6 32.0 103 110 A Y H X S+ 0 0 89 -4,-1.4 4,-2.6 2,-0.2 -1,-0.3 0.873 111.1 54.3 -68.9 -34.6 14.5 42.1 33.2 104 111 A E H X S+ 0 0 116 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.997 109.9 47.2 -57.4 -60.4 11.4 41.1 35.2 105 112 A T H X S+ 0 0 42 -4,-3.3 4,-3.0 1,-0.2 5,-0.3 0.891 108.3 54.9 -47.8 -45.9 13.4 38.3 36.8 106 113 A L H X S+ 0 0 7 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.964 108.1 48.9 -56.8 -51.1 16.3 40.7 37.5 107 114 A E H X S+ 0 0 133 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.899 112.6 50.1 -46.2 -50.1 13.9 43.0 39.4 108 115 A N H X S+ 0 0 105 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.916 109.1 48.6 -58.1 -52.8 12.6 40.0 41.4 109 116 A Q H X S+ 0 0 18 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.964 113.8 48.1 -58.0 -45.9 16.0 38.7 42.4 110 117 A L H X S+ 0 0 20 -4,-2.8 4,-2.5 -5,-0.3 5,-0.3 0.922 109.8 50.8 -59.6 -48.6 16.9 42.2 43.4 111 118 A A H X S+ 0 0 40 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.944 113.8 48.0 -51.6 -50.5 13.7 42.7 45.4 112 119 A F H < S+ 0 0 65 -4,-2.9 3,-0.4 2,-0.2 -2,-0.2 0.992 113.4 43.4 -53.2 -66.7 14.3 39.4 47.2 113 120 A L H ><>S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.3 5,-1.2 0.854 114.0 51.6 -54.4 -37.7 18.0 39.9 48.1 114 121 A T H ><5S+ 0 0 54 -4,-2.5 3,-2.2 -5,-0.3 4,-0.3 0.902 103.5 59.5 -61.5 -44.1 17.4 43.5 49.2 115 122 A Q T 3<5S+ 0 0 140 -4,-2.4 -1,-0.3 -3,-0.4 -2,-0.2 0.158 96.9 60.8 -73.3 19.4 14.6 42.1 51.4 116 123 A Q T < 5S- 0 0 83 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.059 131.0 -94.2-122.9 16.7 17.3 40.0 53.1 117 124 A G T < 5S+ 0 0 58 -3,-2.2 2,-0.5 1,-0.3 -3,-0.2 0.848 79.4 143.8 72.2 34.8 19.0 43.3 54.1 118 125 A F < - 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