==== 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 REGULATOR 13-DEC-05 2FD5 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.ZHANG,T.SKARINA,O.ONOPRIYENKO,A.SAVCHENKO,A.EDWARDS,A.JOAC . 180 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9942.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 73.3 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 2 0 0 1 0 0 0 0 2 0 0 0 0 0 1 0 1 2 0 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 1 A M 0 0 244 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.6 -13.4 44.0 33.5 2 2 A S - 0 0 72 3,-0.0 2,-0.3 4,-0.0 3,-0.0 -0.325 360.0-101.0-148.4-144.2 -15.6 46.7 32.2 3 3 A D > - 0 0 79 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.970 33.3-101.9-162.0 163.0 -19.3 47.6 31.6 4 4 A K H > S+ 0 0 164 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.809 116.3 51.9 -70.1 -31.2 -21.6 47.8 28.6 5 5 A K H > S+ 0 0 154 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.966 113.7 43.4 -65.6 -52.9 -21.5 51.6 28.2 6 6 A T H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.915 116.9 48.1 -56.5 -46.5 -17.7 51.7 28.1 7 7 A Q H X S+ 0 0 101 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.913 110.7 50.0 -62.6 -46.3 -17.6 48.6 25.8 8 8 A T H X S+ 0 0 31 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.914 111.3 48.4 -62.4 -46.2 -20.2 50.0 23.4 9 9 A R H X S+ 0 0 88 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.940 111.4 50.9 -57.5 -48.0 -18.5 53.3 23.0 10 10 A A H X S+ 0 0 61 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.866 108.9 51.5 -57.9 -38.9 -15.2 51.5 22.4 11 11 A R H X S+ 0 0 108 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.871 110.8 48.1 -64.8 -40.3 -16.8 49.4 19.7 12 12 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.945 113.8 46.1 -66.1 -48.2 -18.2 52.4 18.0 13 13 A L H X S+ 0 0 8 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.856 110.2 55.3 -63.3 -36.1 -14.8 54.2 18.1 14 14 A G H X S+ 0 0 31 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.911 109.9 44.7 -61.3 -46.5 -13.1 51.0 16.9 15 15 A A H X S+ 0 0 14 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.872 114.2 51.7 -63.3 -38.7 -15.4 50.8 13.8 16 16 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.908 108.4 48.9 -64.7 -45.2 -14.8 54.6 13.3 17 17 A T H X S+ 0 0 14 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.893 111.6 50.8 -64.4 -39.8 -11.0 54.3 13.4 18 18 A Q H X S+ 0 0 75 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.935 112.1 45.6 -61.2 -49.3 -11.1 51.4 11.0 19 19 A A H X S+ 0 0 7 -4,-2.2 4,-3.4 1,-0.2 5,-0.5 0.893 113.6 50.9 -60.1 -42.6 -13.3 53.4 8.5 20 20 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.918 108.4 51.0 -62.4 -47.1 -11.1 56.5 8.9 21 21 A L H < S+ 0 0 16 -4,-2.7 87,-0.2 1,-0.2 -1,-0.2 0.841 123.1 31.1 -56.9 -36.2 -7.8 54.5 8.3 22 22 A E H < S+ 0 0 103 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.855 137.0 15.5 -94.1 -40.8 -9.2 53.0 5.1 23 23 A R H X S- 0 0 85 -4,-3.4 4,-0.6 1,-0.3 3,-0.2 0.352 97.3-122.6-125.9 1.9 -11.6 55.6 3.7 24 24 A G T < - 0 0 0 -4,-1.8 -1,-0.3 -5,-0.5 85,-0.2 -0.312 39.5 -65.6 83.6-168.0 -10.9 58.9 5.4 25 25 A A T 4 S+ 0 0 0 83,-0.2 -1,-0.2 2,-0.1 30,-0.1 0.603 120.1 53.4 -99.7 -15.8 -13.2 61.2 7.5 26 26 A V T 4 S+ 0 0 72 -3,-0.2 -2,-0.1 -6,-0.1 -1,-0.1 0.930 103.7 48.2 -88.4 -48.1 -15.7 62.4 4.8 27 27 A E S < S+ 0 0 134 -4,-0.6 -2,-0.1 -8,-0.1 -3,-0.1 0.932 85.6 89.8 -64.2 -55.2 -17.1 59.2 3.2 28 28 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 3,-0.0 -0.136 64.1-150.4 -54.8 136.7 -18.0 57.0 6.2 29 29 A S > - 0 0 45 1,-0.1 4,-2.2 22,-0.0 5,-0.2 -0.668 27.0-113.7-101.8 160.3 -21.6 57.4 7.4 30 30 A V H > S+ 0 0 24 -2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.930 120.2 56.1 -53.8 -44.9 -23.0 56.9 10.9 31 31 A G H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.872 107.4 47.1 -55.0 -43.4 -24.9 54.0 9.4 32 32 A E H > S+ 0 0 84 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.887 113.2 47.3 -67.5 -43.2 -21.7 52.3 8.1 33 33 A V H X S+ 0 0 2 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.973 115.9 43.2 -63.7 -54.5 -19.8 52.7 11.4 34 34 A M H ><>S+ 0 0 2 -4,-2.8 5,-2.5 1,-0.2 3,-0.6 0.945 114.2 53.7 -59.4 -46.4 -22.7 51.4 13.6 35 35 A G H ><5S+ 0 0 49 -4,-2.4 3,-1.4 -5,-0.3 -1,-0.2 0.920 108.8 47.4 -45.4 -51.5 -23.2 48.7 11.0 36 36 A A H 3<5S+ 0 0 80 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.731 109.5 54.2 -70.5 -19.9 -19.6 47.7 11.2 37 37 A A T <<5S- 0 0 12 -4,-1.6 -1,-0.3 -3,-0.6 -2,-0.2 0.478 111.7-121.5 -85.3 -3.7 -19.8 47.7 15.0 38 38 A G T < 5 + 0 0 61 -3,-1.4 2,-0.4 -4,-0.5 -3,-0.2 0.859 68.8 136.9 56.6 37.8 -22.8 45.3 14.8 39 39 A L < - 0 0 32 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.924 64.4-106.5-112.1 138.8 -24.8 47.9 16.7 40 40 A T > - 0 0 122 -2,-0.4 3,-0.5 1,-0.1 4,-0.1 -0.306 34.8-128.5 -43.9 145.2 -28.3 49.2 16.2 41 41 A V G > S+ 0 0 73 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.740 98.2 69.8 -90.4 -27.7 -28.0 52.7 14.7 42 42 A G G > S+ 0 0 69 1,-0.2 3,-0.5 2,-0.1 4,-0.3 0.772 88.0 70.3 -55.2 -28.8 -30.2 54.6 17.0 43 43 A G G X S+ 0 0 32 -3,-0.5 3,-1.1 1,-0.2 4,-0.5 0.644 74.2 89.2 -66.7 -16.0 -27.6 54.1 19.7 44 44 A F G X> S+ 0 0 0 -3,-1.5 3,-2.0 1,-0.2 4,-1.9 0.891 83.0 48.6 -52.4 -54.2 -25.1 56.5 18.1 45 45 A Y G <4 S+ 0 0 147 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.607 96.6 70.6 -76.0 -8.6 -26.1 59.8 19.7 46 46 A A G <4 S+ 0 0 85 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.713 115.4 27.7 -66.8 -21.4 -26.1 58.4 23.2 47 47 A H T <4 S+ 0 0 44 -3,-2.0 2,-0.3 -4,-0.5 -2,-0.2 0.741 125.7 32.7-112.7 -35.3 -22.3 58.2 22.8 48 48 A F < - 0 0 11 -4,-1.9 -1,-0.3 1,-0.1 3,-0.1 -0.968 59.1-141.5-132.5 146.2 -21.2 60.9 20.4 49 49 A Q S S- 0 0 167 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.850 82.7 -16.5 -69.7 -38.2 -22.5 64.4 19.5 50 50 A S > - 0 0 43 1,-0.1 4,-1.9 -6,-0.1 -1,-0.2 -0.970 65.8 -99.5-159.8 166.7 -21.9 64.1 15.8 51 51 A K H > S+ 0 0 49 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.878 122.1 52.3 -60.7 -39.5 -20.1 62.2 13.1 52 52 A D H > S+ 0 0 67 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.888 107.3 50.4 -67.6 -40.6 -17.4 64.9 12.9 53 53 A A H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 112.7 48.9 -61.0 -41.7 -16.8 64.7 16.7 54 54 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.945 113.0 45.4 -61.7 -51.2 -16.5 60.9 16.4 55 55 A M H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.891 111.1 52.9 -66.9 -35.3 -14.1 61.1 13.5 56 56 A L H X S+ 0 0 36 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.930 110.9 47.2 -62.9 -44.6 -12.0 63.8 15.1 57 57 A E H X S+ 0 0 54 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.922 111.9 50.5 -61.3 -42.4 -11.6 61.7 18.2 58 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.925 112.5 47.8 -58.1 -45.2 -10.7 58.7 16.0 59 59 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.935 112.7 46.9 -61.2 -50.3 -8.1 60.8 14.3 60 60 A E H X S+ 0 0 83 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.892 113.7 49.5 -60.0 -42.2 -6.6 62.2 17.5 61 61 A Q H X S+ 0 0 99 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.928 111.4 46.9 -64.2 -49.8 -6.5 58.6 19.0 62 62 A L H X S+ 0 0 13 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.914 114.8 47.2 -59.2 -45.2 -4.8 57.0 16.0 63 63 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.911 109.5 53.2 -65.6 -41.4 -2.2 59.8 15.8 64 64 A G H X S+ 0 0 22 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.904 109.2 50.6 -57.9 -40.9 -1.6 59.6 19.6 65 65 A K H X S+ 0 0 95 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.882 106.1 53.9 -65.4 -41.7 -0.9 55.9 19.2 66 66 A R H X S+ 0 0 39 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.892 109.9 49.1 -58.2 -39.7 1.5 56.5 16.3 67 67 A R H X S+ 0 0 74 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.891 109.7 51.5 -68.1 -36.0 3.4 58.8 18.6 68 68 A E H X S+ 0 0 118 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.926 108.6 50.6 -64.0 -47.1 3.4 56.2 21.3 69 69 A L H >< S+ 0 0 57 -4,-2.8 3,-1.3 1,-0.2 4,-0.3 0.920 109.7 50.3 -56.4 -46.1 4.8 53.6 19.0 70 70 A L H >< S+ 0 0 33 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.850 104.0 60.2 -61.9 -33.7 7.6 55.9 18.0 71 71 A G H 3< S+ 0 0 64 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.694 94.0 65.7 -64.7 -20.1 8.2 56.5 21.7 72 72 A E T << S+ 0 0 143 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.590 76.1 110.3 -80.3 -11.8 9.0 52.8 22.0 73 73 A L S < S- 0 0 21 -3,-1.3 9,-0.1 -4,-0.3 -3,-0.0 -0.366 90.7 -83.2 -64.9 144.4 12.1 53.0 19.8 74 74 A D > - 0 0 93 1,-0.2 3,-1.8 2,-0.1 -1,-0.1 -0.271 34.0-143.3 -50.8 120.1 15.4 52.5 21.6 75 75 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.724 97.2 64.2 -60.2 -21.0 16.3 55.9 23.2 76 76 A G T 3 S+ 0 0 64 2,-0.0 2,-0.1 0, 0.0 -2,-0.1 0.548 78.2 108.0 -81.2 -9.3 19.9 55.2 22.5 77 77 A L S < S- 0 0 24 -3,-1.8 -4,-0.0 1,-0.1 2,-0.0 -0.399 72.6-116.1 -68.9 144.9 19.5 55.2 18.7 78 78 A S > - 0 0 52 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.231 31.8-102.0 -67.5 168.0 20.9 58.1 16.7 79 79 A G H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.957 125.5 49.3 -55.7 -51.1 18.6 60.4 14.7 80 80 A K H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 111.3 48.5 -57.2 -46.1 19.5 58.6 11.6 81 81 A E H > S+ 0 0 97 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 112.0 48.5 -59.8 -46.1 18.9 55.1 13.1 82 82 A R H X S+ 0 0 30 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.897 110.9 50.3 -66.6 -37.2 15.5 56.1 14.5 83 83 A R H X S+ 0 0 5 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.918 110.6 49.8 -66.5 -38.2 14.4 57.6 11.2 84 84 A A H X S+ 0 0 47 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.924 113.5 46.2 -64.6 -44.1 15.4 54.4 9.4 85 85 A L H X S+ 0 0 66 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.947 111.6 50.4 -63.2 -48.1 13.5 52.3 11.9 86 86 A A H X S+ 0 0 8 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.932 112.0 49.6 -55.1 -43.7 10.4 54.5 11.7 87 87 A A H X S+ 0 0 2 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.893 109.0 50.7 -64.5 -43.2 10.5 54.3 7.9 88 88 A A H < S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.899 113.1 46.0 -63.6 -39.7 10.8 50.5 7.9 89 89 A F H < S+ 0 0 142 -4,-2.4 3,-0.4 -5,-0.2 -1,-0.2 0.850 118.5 42.4 -66.5 -35.7 7.8 50.2 10.2 90 90 A Y H < S+ 0 0 12 -4,-2.1 2,-1.4 -5,-0.2 -2,-0.2 0.936 108.2 56.0 -79.2 -45.0 5.7 52.7 8.3 91 91 A L S < S+ 0 0 0 -4,-2.9 2,-0.3 -5,-0.2 -1,-0.2 -0.397 80.4 127.4 -93.8 56.7 6.5 51.7 4.7 92 92 A S > - 0 0 32 -2,-1.4 4,-2.9 -3,-0.4 5,-0.2 -0.812 68.9-122.0-110.4 154.8 5.5 48.0 4.9 93 93 A R H > S+ 0 0 145 -2,-0.3 4,-2.5 1,-0.2 6,-0.2 0.911 114.8 54.7 -57.7 -39.6 3.1 45.9 2.7 94 94 A K H 4>S+ 0 0 118 2,-0.2 5,-3.1 1,-0.2 6,-0.2 0.907 109.5 45.6 -63.4 -41.7 1.1 45.1 5.9 95 95 A H H >45S+ 0 0 2 3,-0.2 3,-1.7 1,-0.2 5,-0.2 0.954 113.0 51.4 -66.0 -45.0 0.7 48.8 6.7 96 96 A R H 3<5S+ 0 0 9 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.890 111.3 48.1 -51.8 -42.5 -0.2 49.5 3.1 97 97 A D T 3<5S- 0 0 52 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.270 115.3-113.4 -91.6 11.7 -2.8 46.7 3.1 98 98 A A T < 5S+ 0 0 40 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.855 78.0 129.1 60.0 38.8 -4.4 47.9 6.4 99 99 A Q < + 0 0 110 -5,-3.1 2,-0.3 -6,-0.2 -4,-0.2 -0.129 41.0 99.3-113.3 33.9 -3.2 44.8 8.3 100 100 A V S S- 0 0 44 -6,-0.2 3,-0.4 -5,-0.2 0, 0.0 -0.819 73.9-127.0-115.9 160.3 -1.6 46.5 11.2 101 101 A D S S+ 0 0 173 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.850 103.4 26.7 -73.7 -33.9 -3.0 47.1 14.7 102 102 A A S S- 0 0 11 -37,-0.1 -1,-0.3 -36,-0.0 -33,-0.1 -0.702 82.0-175.0-133.7 78.0 -2.4 50.8 14.8 103 103 A G - 0 0 4 -3,-0.4 -37,-0.1 -2,-0.3 -38,-0.1 -0.263 29.0-109.9 -73.1 159.0 -2.4 52.3 11.3 104 104 A C - 0 0 3 1,-0.1 4,-0.3 -14,-0.1 -1,-0.1 -0.789 18.4-157.2 -87.9 131.1 -1.6 55.9 10.4 105 105 A P S > S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 5,-0.2 0.546 72.4 89.5 -81.8 -8.5 -4.7 57.8 9.2 106 106 A L H >> S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 3,-0.7 0.913 80.0 54.0 -65.5 -44.9 -2.7 60.4 7.3 107 107 A P H 34 S+ 0 0 23 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.927 116.7 40.4 -51.0 -42.5 -2.5 58.7 3.9 108 108 A A H 34 S+ 0 0 23 -4,-0.3 -2,-0.2 -87,-0.2 -83,-0.2 0.654 126.4 32.1 -79.4 -17.8 -6.4 58.4 3.9 109 109 A T H XX S+ 0 0 0 -4,-1.2 3,-1.9 -3,-0.7 4,-0.9 0.629 85.2 91.6-119.7 -19.5 -7.2 61.8 5.3 110 110 A L G >< S+ 0 0 77 -4,-2.6 3,-1.2 1,-0.3 4,-0.5 0.888 87.4 55.7 -52.9 -44.4 -4.6 64.5 4.3 111 111 A A G 34 S+ 0 0 80 -4,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.696 110.7 46.5 -61.3 -20.2 -6.6 65.6 1.2 112 112 A E G X> S+ 0 0 30 -3,-1.9 3,-1.3 1,-0.1 4,-0.8 0.602 84.6 90.8 -95.8 -16.1 -9.6 66.3 3.4 113 113 A V G X< S+ 0 0 9 -3,-1.2 3,-1.2 -4,-0.9 8,-0.3 0.873 81.7 57.1 -54.9 -43.2 -8.0 68.2 6.2 114 114 A A G 34 S+ 0 0 72 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.774 114.2 38.8 -60.2 -28.9 -8.5 71.7 4.6 115 115 A R G <4 S+ 0 0 175 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.2 0.407 102.3 87.5-105.0 2.6 -12.3 71.1 4.4 116 116 A L S << S- 0 0 17 -3,-1.2 5,-0.2 -4,-0.8 -90,-0.0 -0.503 97.2 -68.6 -91.3 165.6 -12.8 69.4 7.7 117 117 A P >> - 0 0 57 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.200 54.1-106.2 -51.6 148.3 -13.4 71.1 11.1 118 118 A E H 3> S+ 0 0 106 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.714 111.9 76.2 -54.2 -28.0 -10.4 73.0 12.3 119 119 A G H 3> S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.832 90.9 57.2 -52.3 -35.3 -9.6 70.4 15.0 120 120 A F H <> S+ 0 0 0 -3,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.965 109.6 42.5 -62.9 -52.2 -8.2 68.1 12.3 121 121 A R H X S+ 0 0 111 -4,-0.6 4,-2.5 -8,-0.3 -2,-0.2 0.888 114.4 52.8 -59.2 -40.2 -5.6 70.7 11.1 122 122 A E H X S+ 0 0 105 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.953 112.2 43.2 -62.5 -48.7 -4.8 71.6 14.7 123 123 A V H X S+ 0 0 10 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.903 113.6 53.4 -64.7 -41.6 -4.1 68.0 15.7 124 124 A L H X S+ 0 0 29 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.922 108.0 49.0 -56.7 -48.4 -2.1 67.4 12.4 125 125 A S H X S+ 0 0 55 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 113.5 45.5 -61.5 -46.0 0.1 70.4 13.0 126 126 A R H X S+ 0 0 122 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.907 111.1 53.9 -64.0 -43.4 1.0 69.4 16.5 127 127 A H H X S+ 0 0 7 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.936 110.5 46.3 -56.1 -49.6 1.5 65.8 15.4 128 128 A V H X S+ 0 0 42 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.937 113.1 49.5 -59.7 -46.4 4.0 66.8 12.8 129 129 A E H X S+ 0 0 130 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.929 113.7 44.9 -59.7 -46.3 5.8 69.2 15.2 130 130 A I H X S+ 0 0 78 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.930 114.9 48.1 -65.3 -46.8 6.1 66.5 17.9 131 131 A M H X S+ 0 0 14 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.921 112.4 47.3 -60.4 -48.9 7.3 63.8 15.5 132 132 A V H >X S+ 0 0 12 -4,-2.7 4,-1.5 -5,-0.2 3,-0.6 0.944 110.7 51.8 -59.4 -47.0 9.9 65.9 13.8 133 133 A T H 3< S+ 0 0 108 -4,-2.2 3,-0.4 -5,-0.3 -1,-0.2 0.901 111.7 47.8 -57.1 -40.8 11.3 67.1 17.1 134 134 A S H 3< S+ 0 0 49 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.722 114.2 46.0 -74.1 -22.7 11.6 63.5 18.3 135 135 A L H << S+ 0 0 2 -4,-1.4 2,-0.5 -3,-0.6 -52,-0.2 0.561 99.0 78.2 -96.8 -9.2 13.3 62.3 15.0 136 136 A A < - 0 0 17 -4,-1.5 6,-0.1 -3,-0.4 -1,-0.0 -0.885 52.8-172.3-105.7 125.1 15.8 65.1 14.7 137 137 A E S S+ 0 0 105 -2,-0.5 -1,-0.1 1,-0.1 -4,-0.0 0.604 75.9 13.4 -89.0 -11.9 18.9 65.0 16.9 138 138 A S S > S- 0 0 33 1,-0.0 3,-1.7 0, 0.0 4,-0.4 -0.961 87.3 -97.2-155.8 161.2 20.1 68.5 15.9 139 139 A P G > S+ 0 0 105 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.843 120.8 60.9 -57.4 -31.7 18.7 71.6 14.1 140 140 A E G 3 S+ 0 0 140 1,-0.3 4,-0.5 2,-0.1 3,-0.2 0.762 101.1 55.5 -63.6 -24.7 20.3 70.5 10.8 141 141 A E G <> S+ 0 0 46 -3,-1.7 4,-2.8 1,-0.2 -1,-0.3 0.518 81.8 87.6 -87.1 -5.8 18.2 67.3 11.0 142 142 A T H <> S+ 0 0 59 -3,-1.4 4,-2.2 -4,-0.4 -1,-0.2 0.952 93.4 42.4 -58.2 -51.1 14.8 69.1 11.3 143 143 A D H > S+ 0 0 128 -4,-0.5 4,-2.4 -3,-0.2 -1,-0.2 0.839 113.4 53.5 -65.3 -34.9 14.4 69.3 7.5 144 144 A V H > S+ 0 0 46 -4,-0.5 4,-2.3 2,-0.2 36,-0.3 0.929 110.0 47.4 -64.4 -45.9 15.7 65.7 7.0 145 145 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.900 111.9 50.6 -63.1 -39.9 13.1 64.4 9.5 146 146 A L H X S+ 0 0 71 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.936 110.9 47.2 -63.7 -47.8 10.3 66.4 7.8 147 147 A A H X S+ 0 0 51 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.878 110.2 55.1 -62.3 -35.1 11.3 65.1 4.3 148 148 A D H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.898 105.4 51.0 -64.5 -40.3 11.4 61.6 5.8 149 149 A L H X S+ 0 0 21 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.893 109.3 51.8 -62.1 -37.6 7.8 62.0 7.2 150 150 A V H X>S+ 0 0 98 -4,-1.8 4,-2.4 2,-0.2 5,-0.5 0.925 107.5 51.5 -63.5 -44.7 6.8 63.0 3.7 151 151 A L H X5S+ 0 0 49 -4,-2.3 4,-1.5 3,-0.2 -2,-0.2 0.884 114.1 46.0 -59.7 -38.8 8.5 59.9 2.2 152 152 A M H X5S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.976 119.4 35.6 -66.9 -57.6 6.5 57.8 4.7 153 153 A I H X5S+ 0 0 23 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.958 124.9 41.9 -66.1 -50.1 3.1 59.3 4.3 154 154 A G H X5S+ 0 0 38 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.856 113.6 53.1 -63.1 -40.0 3.4 59.9 0.6 155 155 A G H X S- 0 0 37 1,-0.1 4,-2.4 2,-0.1 5,-0.2 -0.838 88.8 -64.4 150.4 176.1 1.8 44.3 -7.0 166 166 A E H > S+ 0 0 176 -2,-0.2 4,-2.1 2,-0.2 5,-0.1 0.868 125.5 50.5 -61.0 -42.0 5.4 44.9 -8.2 167 167 A L H > S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.963 112.5 46.7 -63.5 -48.7 5.1 48.6 -8.8 168 168 A S H > S+ 0 0 1 -5,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.904 111.3 52.0 -59.2 -44.3 3.5 49.3 -5.4 169 169 A D H X S+ 0 0 39 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.902 109.0 51.3 -58.7 -40.9 6.2 47.2 -3.7 170 170 A R H X S+ 0 0 168 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.863 105.2 55.6 -66.3 -36.9 8.8 49.2 -5.5 171 171 A V H X S+ 0 0 24 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.932 108.9 47.9 -59.2 -46.5 7.3 52.5 -4.4 172 172 A L H X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.937 114.9 45.3 -61.0 -47.7 7.6 51.3 -0.8 173 173 A R H X S+ 0 0 113 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.916 113.2 48.8 -59.9 -48.0 11.2 50.3 -1.3 174 174 A A H X S+ 0 0 53 -4,-3.0 4,-1.1 2,-0.2 -1,-0.2 0.922 112.7 48.2 -62.7 -41.9 12.2 53.4 -3.1 175 175 A A H >< S+ 0 0 8 -4,-2.4 3,-0.7 -5,-0.2 4,-0.5 0.942 113.5 47.2 -65.3 -47.2 10.6 55.7 -0.5 176 176 A K H >< S+ 0 0 74 -4,-2.5 3,-1.5 -5,-0.2 -2,-0.2 0.923 109.8 53.7 -57.3 -46.1 12.3 53.7 2.4 177 177 A Q H 3< S+ 0 0 148 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.725 103.5 56.7 -65.9 -20.3 15.7 53.8 0.6 178 178 A A T << S+ 0 0 49 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.525 78.6 115.7 -88.4 -7.0 15.5 57.6 0.3 179 179 A V < 0 0 15 -3,-1.5 -34,-0.1 -4,-0.5 -95,-0.0 -0.455 360.0 360.0 -65.8 133.1 15.1 58.2 4.0 180 180 A N 0 0 105 -36,-0.3 -1,-0.1 -2,-0.2 -35,-0.1 0.299 360.0 360.0-121.6 360.0 18.1 60.0 5.5