==== 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 24-JUN-10 3NNR . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, TETR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: MARINOBACTER AQUAEOLEI; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 203 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 78.8 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 . 2 1.0 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 . 27 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 62.1 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 2 2 1 0 0 1 0 0 0 2 1 0 1 0 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 . 1 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 X 0 0 158 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 133.0 0.6 -23.4 25.7 2 4 A K >> - 0 0 131 1,-0.1 4,-1.8 4,-0.0 3,-0.9 -0.357 360.0-112.0 -74.6 148.1 -3.2 -22.9 26.5 3 5 A T H 3> S+ 0 0 46 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.837 118.2 55.0 -43.4 -44.1 -5.8 -24.0 23.8 4 6 A R H 3> S+ 0 0 81 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.855 105.4 50.6 -58.4 -45.3 -6.7 -20.3 23.3 5 7 A D H <> S+ 0 0 70 -3,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.865 109.0 52.2 -67.2 -35.4 -3.0 -19.3 22.6 6 8 A K H X S+ 0 0 113 -4,-1.8 4,-3.7 2,-0.2 5,-0.4 0.929 106.6 54.5 -61.5 -46.5 -2.7 -22.1 20.0 7 9 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.893 112.0 42.8 -55.4 -45.7 -5.9 -20.8 18.3 8 10 A L H X S+ 0 0 15 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.915 117.1 47.4 -67.4 -42.3 -4.4 -17.3 18.0 9 11 A L H X S+ 0 0 94 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.934 116.4 42.7 -64.8 -48.6 -1.0 -18.7 16.9 10 12 A S H X S+ 0 0 16 -4,-3.7 4,-2.5 2,-0.2 5,-0.2 0.856 111.3 54.4 -67.4 -38.9 -2.5 -21.1 14.3 11 13 A S H X S+ 0 0 0 -4,-2.1 4,-3.2 -5,-0.4 5,-0.2 0.940 108.0 50.7 -60.9 -45.9 -5.0 -18.5 13.0 12 14 A L H X S+ 0 0 27 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.900 111.2 49.0 -54.9 -44.4 -2.1 -16.1 12.3 13 15 A E H X S+ 0 0 101 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.904 114.5 43.9 -62.3 -48.1 -0.2 -18.9 10.4 14 16 A L H X>S+ 0 0 18 -4,-2.5 4,-3.1 2,-0.2 5,-0.7 0.934 114.7 49.4 -67.4 -44.0 -3.2 -19.8 8.3 15 17 A F H X5S+ 0 0 0 -4,-3.2 4,-1.6 -5,-0.2 5,-0.2 0.926 115.0 44.1 -59.9 -47.1 -4.1 -16.1 7.6 16 18 A N H <5S+ 0 0 13 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.881 122.2 38.1 -63.5 -41.1 -0.5 -15.3 6.6 17 19 A D H <5S+ 0 0 108 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.907 133.8 18.4 -80.7 -48.9 -0.1 -18.4 4.4 18 20 A K H <5S- 0 0 124 -4,-3.1 4,-0.3 -5,-0.2 -3,-0.2 0.610 110.3-103.1-100.9 -17.0 -3.5 -18.8 2.8 19 21 A G ><< - 0 0 8 -4,-1.6 3,-0.8 -5,-0.7 4,-0.3 0.287 22.2-107.2 99.1 133.7 -5.1 -15.3 3.2 20 22 A E G > S+ 0 0 19 1,-0.2 3,-1.5 -5,-0.2 -1,-0.1 0.841 117.6 68.8 -60.9 -34.3 -7.7 -14.4 5.8 21 23 A R G 3 S+ 0 0 190 1,-0.3 -1,-0.2 -6,-0.1 -2,-0.1 0.899 106.1 39.8 -42.2 -48.2 -10.2 -14.2 2.9 22 24 A N G < S+ 0 0 102 -3,-0.8 2,-0.5 -4,-0.3 -1,-0.3 0.309 99.1 87.3 -94.1 4.6 -9.9 -18.0 2.5 23 25 A I < - 0 0 7 -3,-1.5 2,-0.2 -4,-0.3 23,-0.0 -0.943 51.7-178.0-114.7 127.8 -9.8 -19.1 6.1 24 26 A T > - 0 0 61 -2,-0.5 4,-1.9 1,-0.0 3,-0.3 -0.695 44.0-103.8-111.1 165.7 -12.9 -19.8 8.2 25 27 A T H > S+ 0 0 46 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.876 121.5 58.5 -58.7 -35.4 -13.3 -20.8 11.8 26 28 A N H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.876 104.9 49.9 -62.4 -38.2 -14.0 -24.4 10.6 27 29 A H H > S+ 0 0 98 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.915 111.1 49.2 -63.2 -43.7 -10.6 -24.5 8.9 28 30 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.940 112.2 47.3 -65.4 -46.1 -8.9 -23.3 12.1 29 31 A A H X>S+ 0 0 2 -4,-2.8 5,-1.9 1,-0.2 4,-0.8 0.930 113.2 49.7 -57.7 -45.7 -10.7 -25.9 14.3 30 32 A A H ><5S+ 0 0 77 -4,-2.5 3,-0.8 2,-0.2 -2,-0.2 0.908 109.9 50.0 -60.8 -44.3 -9.8 -28.6 11.7 31 33 A H H 3<5S+ 0 0 93 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.936 116.2 42.5 -59.7 -49.3 -6.1 -27.6 11.7 32 34 A L H 3<5S- 0 0 34 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.495 107.0-126.6 -77.3 -4.2 -6.0 -27.6 15.5 33 35 A A T <<5 + 0 0 95 -4,-0.8 2,-0.3 -3,-0.8 -3,-0.2 0.878 68.7 126.5 57.2 38.1 -8.0 -30.9 15.8 34 36 A I < - 0 0 30 -5,-1.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.921 66.1-102.1-119.3 148.2 -10.5 -29.2 18.2 35 37 A S > - 0 0 67 -2,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.222 28.8-111.9 -66.3 160.7 -14.3 -29.3 17.6 36 38 A P H > S+ 0 0 80 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.919 122.0 54.6 -55.6 -43.2 -16.1 -26.2 16.2 37 39 A G H > S+ 0 0 50 2,-0.2 4,-1.5 1,-0.2 -2,-0.0 0.838 103.4 54.2 -57.1 -37.0 -17.7 -25.9 19.6 38 40 A N H > S+ 0 0 59 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.915 111.2 45.4 -65.0 -44.0 -14.3 -25.9 21.4 39 41 A L H >X S+ 0 0 3 -4,-1.8 4,-2.9 1,-0.2 3,-0.6 0.890 108.3 57.4 -65.2 -42.6 -13.2 -22.9 19.2 40 42 A Y H 3< S+ 0 0 156 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 98.6 60.9 -58.3 -34.6 -16.5 -21.1 19.8 41 43 A Y H 3< S+ 0 0 197 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.867 115.7 32.8 -57.3 -42.3 -15.9 -21.2 23.6 42 44 A H H << S+ 0 0 33 -4,-0.9 2,-0.3 -3,-0.6 -2,-0.2 0.829 134.2 22.5 -83.4 -39.2 -12.8 -19.2 23.1 43 45 A F < - 0 0 9 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.1 -0.907 55.2-158.5-142.7 113.7 -14.0 -17.1 20.1 44 46 A R S S- 0 0 53 -2,-0.3 2,-0.3 -3,-0.2 -4,-0.1 0.710 80.4 -12.0 -57.2 -27.0 -17.6 -16.3 19.0 45 47 A N S >> S- 0 0 72 -6,-0.1 3,-1.0 1,-0.1 4,-1.0 -0.977 76.0 -88.8-166.5 170.1 -16.4 -15.5 15.4 46 48 A K H 3> S+ 0 0 50 -2,-0.3 4,-2.4 1,-0.2 3,-0.2 0.817 117.7 62.3 -58.5 -35.8 -13.4 -14.9 13.1 47 49 A S H 3> S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.816 101.0 52.8 -60.5 -33.6 -13.5 -11.1 13.7 48 50 A D H <> S+ 0 0 44 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.854 108.8 49.9 -71.1 -34.2 -12.8 -11.7 17.4 49 51 A I H X S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.2 -2,-0.2 0.973 112.8 46.8 -64.3 -52.7 -9.7 -13.8 16.5 50 52 A I H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.876 109.6 53.3 -58.3 -43.2 -8.4 -11.0 14.2 51 53 A Y H X S+ 0 0 38 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.929 110.9 46.0 -60.5 -46.9 -9.0 -8.3 16.7 52 54 A E H X S+ 0 0 38 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.881 110.8 52.4 -66.3 -37.5 -7.0 -10.1 19.4 53 55 A I H >X S+ 0 0 5 -4,-2.3 4,-1.8 2,-0.2 3,-0.8 0.945 110.7 49.0 -59.6 -48.3 -4.2 -10.9 16.9 54 56 A F H 3X S+ 0 0 2 -4,-2.8 4,-3.4 1,-0.2 -2,-0.2 0.906 105.5 57.2 -56.1 -44.8 -4.1 -7.1 16.1 55 57 A Q H 3X S+ 0 0 54 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.775 106.7 49.5 -57.6 -30.2 -4.0 -6.3 19.8 56 58 A E H < S+ 0 0 190 -4,-1.5 3,-1.1 -5,-0.2 -2,-0.2 0.931 113.9 43.9 -69.6 -46.3 7.0 -1.7 22.8 64 66 A Y H 3< S+ 0 0 62 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.904 116.7 47.3 -64.8 -39.9 9.5 -1.3 19.9 65 67 A L T 3< S+ 0 0 31 -4,-3.2 2,-1.0 -5,-0.2 -1,-0.2 -0.087 74.5 118.7 -94.6 31.5 8.5 2.4 19.3 66 68 A D < - 0 0 119 -3,-1.1 -3,-0.0 -5,-0.1 -4,-0.0 -0.901 61.8-148.2 -96.1 98.7 8.6 3.5 23.0 67 69 A I - 0 0 14 -2,-1.0 2,-0.2 1,-0.1 -2,-0.1 -0.603 8.6-122.6 -77.2 126.1 11.3 6.0 22.4 68 70 A P - 0 0 30 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.545 23.2-172.0 -68.8 133.6 13.8 6.6 25.3 69 71 A E S S+ 0 0 104 -2,-0.2 4,-0.1 1,-0.1 -2,-0.0 0.583 72.9 71.8-100.4 -15.9 13.8 10.3 26.3 70 72 A D S S+ 0 0 134 2,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.279 102.8 33.3 -85.6 8.6 16.7 10.1 28.8 71 73 A R S S- 0 0 135 -3,-0.2 2,-0.1 0, 0.0 0, 0.0 -0.970 90.2 -90.7-153.4 162.7 19.5 9.7 26.1 72 74 A P - 0 0 92 0, 0.0 2,-0.3 0, 0.0 59,-0.1 -0.486 46.3-104.1 -79.7 153.4 20.2 10.8 22.5 73 75 A I - 0 0 7 57,-0.3 2,-0.2 -2,-0.1 -6,-0.0 -0.574 38.8-159.7 -73.7 132.7 19.1 8.7 19.6 74 76 A T > - 0 0 58 -2,-0.3 4,-1.5 1,-0.1 57,-0.0 -0.604 31.6-108.6-104.2 171.4 22.0 6.7 17.9 75 77 A L H > S+ 0 0 21 2,-0.2 4,-2.3 -2,-0.2 5,-0.1 0.790 120.4 58.3 -64.8 -31.0 22.3 5.1 14.4 76 78 A E H > S+ 0 0 139 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 105.6 49.9 -68.1 -40.9 22.0 1.6 16.1 77 79 A D H > S+ 0 0 40 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.888 108.4 53.4 -61.4 -41.5 18.6 2.7 17.5 78 80 A X H X S+ 0 0 19 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.961 110.2 45.8 -59.9 -49.4 17.6 3.9 14.0 79 81 A T H X S+ 0 0 27 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.850 112.6 51.9 -63.3 -36.7 18.4 0.5 12.5 80 82 A F H X S+ 0 0 89 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.968 109.0 48.7 -64.1 -52.9 16.6 -1.3 15.3 81 83 A Y H X S+ 0 0 14 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.911 117.6 42.9 -52.8 -44.2 13.4 0.8 14.9 82 84 A L H X S+ 0 0 20 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.967 116.6 44.1 -69.3 -54.1 13.5 0.1 11.1 83 85 A E H X S+ 0 0 72 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.892 114.0 50.2 -56.9 -43.6 14.3 -3.6 11.2 84 86 A S H X S+ 0 0 12 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.860 111.0 47.8 -67.3 -40.3 11.9 -4.4 14.0 85 87 A V H X S+ 0 0 24 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 0.907 112.7 49.8 -66.1 -44.1 9.0 -2.7 12.3 86 88 A F H X S+ 0 0 2 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.920 110.3 50.3 -61.5 -43.0 9.8 -4.5 9.0 87 89 A D H X S+ 0 0 60 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.882 110.5 51.3 -58.8 -40.2 10.0 -7.9 10.9 88 90 A G H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.946 106.5 52.2 -60.9 -50.6 6.6 -7.0 12.4 89 91 A L H < S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.803 113.1 45.9 -56.7 -33.1 5.1 -6.3 9.0 90 92 A W H >< S+ 0 0 52 -4,-1.6 3,-1.8 -5,-0.2 -1,-0.2 0.939 111.6 50.3 -72.0 -49.1 6.3 -9.7 7.8 91 93 A S H 3< S+ 0 0 40 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.754 122.6 32.3 -64.4 -25.5 5.1 -11.6 10.9 92 94 A Y T >X S+ 0 0 36 -4,-2.0 3,-2.1 -5,-0.1 4,-0.6 -0.092 77.8 138.7-119.8 33.2 1.6 -10.1 10.6 93 95 A R H <> + 0 0 58 -3,-1.8 4,-1.1 1,-0.3 -1,-0.1 0.719 61.6 68.4 -53.9 -29.1 1.6 -9.8 6.8 94 96 A F H 3> S+ 0 0 0 -82,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.789 93.3 60.7 -59.4 -31.9 -2.1 -11.0 6.6 95 97 A F H X4 S+ 0 0 2 -3,-2.1 3,-0.5 1,-0.2 7,-0.2 0.976 105.9 39.9 -65.9 -57.4 -3.3 -7.8 8.2 96 98 A H H 3< S+ 0 0 41 -4,-0.6 3,-0.4 1,-0.2 4,-0.2 0.744 110.4 62.8 -66.5 -21.2 -2.0 -5.2 5.7 97 99 A R H 3< S+ 0 0 122 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.889 119.4 22.2 -70.3 -42.9 -3.0 -7.4 2.8 98 100 A D S XX S+ 0 0 19 -4,-1.4 4,-2.1 -3,-0.5 3,-0.8 0.056 87.8 133.5-111.6 27.8 -6.8 -7.4 3.6 99 101 A L H 3> + 0 0 39 -3,-0.4 4,-2.6 1,-0.3 5,-0.2 0.835 66.6 49.3 -50.0 -52.2 -6.6 -4.2 5.6 100 102 A E H 3> S+ 0 0 166 1,-0.3 4,-1.9 -4,-0.2 -1,-0.3 0.824 112.4 46.5 -65.9 -34.1 -9.6 -2.5 4.1 101 103 A Y H <> S+ 0 0 149 -3,-0.8 4,-2.1 2,-0.2 -1,-0.3 0.866 111.6 53.2 -72.0 -35.4 -12.0 -5.4 4.5 102 104 A L H X S+ 0 0 4 -4,-2.1 4,-1.5 -3,-0.2 -2,-0.2 0.952 110.0 46.7 -66.7 -44.4 -10.8 -5.9 8.1 103 105 A L H < S+ 0 0 36 -4,-2.6 7,-0.4 1,-0.2 3,-0.3 0.935 114.3 48.3 -60.8 -44.7 -11.5 -2.2 9.0 104 106 A D H < S+ 0 0 120 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.826 110.0 52.8 -64.7 -34.5 -14.9 -2.4 7.4 105 107 A S H < S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.825 116.9 35.8 -69.7 -28.3 -15.7 -5.7 9.2 106 108 A D X - 0 0 10 -4,-1.5 4,-2.5 -3,-0.3 -1,-0.2 -0.909 52.8-168.7-139.7 107.9 -14.9 -4.3 12.7 107 109 A P H > S+ 0 0 76 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.781 95.7 56.1 -60.5 -27.8 -15.5 -0.8 14.1 108 110 A R H > S+ 0 0 100 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.909 110.2 44.7 -68.6 -44.8 -13.3 -1.6 17.1 109 111 A L H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.901 113.1 50.7 -65.5 -43.1 -10.5 -2.5 14.8 110 112 A R H X S+ 0 0 115 -4,-2.5 4,-2.1 -7,-0.4 -2,-0.2 0.932 113.3 45.8 -59.6 -48.5 -11.0 0.5 12.7 111 113 A Q H X S+ 0 0 99 -4,-2.3 4,-2.1 2,-0.2 3,-0.2 0.987 116.5 43.7 -59.9 -58.7 -11.0 2.8 15.7 112 114 A D H X S+ 0 0 27 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.886 113.0 52.1 -55.9 -44.7 -7.9 1.2 17.3 113 115 A Y H X S+ 0 0 16 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.892 107.4 51.7 -61.6 -41.8 -6.0 1.1 14.0 114 116 A R H X S+ 0 0 91 -4,-2.1 4,-1.8 -3,-0.2 -1,-0.2 0.950 114.9 43.8 -56.0 -49.0 -6.6 4.8 13.3 115 117 A E H X S+ 0 0 98 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.839 112.6 51.3 -67.5 -37.3 -5.3 5.6 16.8 116 118 A F H X S+ 0 0 5 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.870 106.5 54.8 -64.3 -44.1 -2.4 3.2 16.5 117 119 A T H X S+ 0 0 21 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.921 107.5 50.5 -57.7 -43.4 -1.4 4.9 13.1 118 120 A N H X S+ 0 0 99 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.864 110.4 49.3 -63.2 -38.8 -1.3 8.3 14.9 119 121 A R H X S+ 0 0 94 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.921 112.7 47.5 -63.3 -46.7 1.0 6.8 17.7 120 122 A C H >X S+ 0 0 16 -4,-2.8 4,-2.1 2,-0.2 3,-0.6 0.952 114.0 46.5 -60.7 -48.5 3.3 5.3 15.0 121 123 A L H 3X S+ 0 0 36 -4,-3.0 4,-2.4 1,-0.3 -1,-0.2 0.859 110.9 53.0 -58.9 -41.9 3.3 8.6 13.1 122 124 A A H 3X S+ 0 0 58 -4,-2.3 4,-1.6 1,-0.2 -1,-0.3 0.728 108.6 50.5 -66.5 -25.3 4.0 10.5 16.4 123 125 A A H S+ 0 0 5 -4,-2.5 5,-2.6 2,-0.2 6,-1.2 0.838 108.6 49.5 -62.6 -33.9 17.9 12.7 15.0 132 134 A A H ><5S+ 0 0 25 -4,-2.1 3,-1.6 4,-0.2 -2,-0.2 0.963 110.9 49.0 -65.7 -51.8 18.0 16.6 14.6 133 135 A D H 3<5S+ 0 0 121 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.814 110.5 50.9 -57.9 -37.3 19.0 17.0 18.3 134 136 A A T 3<5S- 0 0 26 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.540 115.8-115.9 -77.3 -9.8 21.8 14.4 17.9 135 137 A G T < 5S+ 0 0 19 -3,-1.6 56,-0.3 -4,-0.4 -3,-0.2 0.664 83.4 117.6 81.2 20.9 23.1 16.2 14.8 136 138 A I S - 0 0 83 0, 0.0 4,-1.8 0, 0.0 5,-0.2 -0.111 43.4-106.9 -54.7 156.7 10.0 23.0 10.1 142 144 A E H > S+ 0 0 145 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.865 117.7 46.2 -55.9 -39.0 7.0 21.3 11.9 143 145 A D H > S+ 0 0 135 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 111.3 47.7 -72.3 -47.8 5.0 21.0 8.5 144 146 A L H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.792 113.3 51.0 -64.9 -28.0 7.8 19.6 6.3 145 147 A R H X S+ 0 0 64 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.837 108.6 49.8 -77.0 -38.7 8.6 17.0 9.1 146 148 A S H X S+ 0 0 50 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.880 113.7 47.6 -62.5 -42.1 4.9 15.9 9.4 147 149 A A H X S+ 0 0 48 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.944 112.6 47.7 -62.7 -51.8 4.9 15.4 5.6 148 150 A X H X S+ 0 0 14 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.834 109.4 54.4 -59.8 -35.0 8.2 13.5 5.7 149 151 A S H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.884 106.3 50.7 -66.3 -43.7 7.0 11.3 8.5 150 152 A L H X S+ 0 0 80 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.914 106.9 55.2 -59.7 -41.9 3.9 10.3 6.6 151 153 A N H X S+ 0 0 78 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.884 105.7 52.4 -59.8 -40.2 6.1 9.4 3.5 152 154 A V H X S+ 0 0 8 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.962 112.3 45.5 -56.7 -49.9 8.1 7.1 5.8 153 155 A W H X S+ 0 0 53 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.913 112.2 50.9 -59.5 -48.4 4.8 5.4 6.8 154 156 A L H X S+ 0 0 88 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.874 114.7 43.6 -59.0 -41.3 3.6 5.2 3.3 155 157 A V H < S+ 0 0 42 -4,-2.5 3,-0.4 -5,-0.2 4,-0.3 0.921 115.4 46.8 -70.8 -46.8 6.9 3.6 2.1 156 158 A I H >< S+ 0 0 15 -4,-2.9 3,-1.4 1,-0.2 4,-0.4 0.957 113.4 46.0 -64.0 -50.3 7.2 1.1 4.9 157 159 A T H 3< S+ 0 0 34 -4,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.587 114.9 47.9 -73.3 -12.0 3.7 -0.2 5.0 158 160 A N T 3X S+ 0 0 101 -4,-0.6 4,-1.4 -3,-0.4 -1,-0.3 0.269 86.6 89.5-106.6 8.3 3.5 -0.6 1.2 159 161 A W H <> S+ 0 0 25 -3,-1.4 4,-1.9 -4,-0.3 -2,-0.1 0.931 85.7 49.4 -72.3 -49.2 6.9 -2.4 0.7 160 162 A X H >> S+ 0 0 34 -4,-0.4 4,-1.8 1,-0.2 3,-0.9 0.982 111.3 52.0 -49.0 -61.1 5.6 -6.0 1.1 161 163 A A H 3> S+ 0 0 55 -4,-0.3 4,-0.9 1,-0.3 -1,-0.2 0.788 108.4 50.6 -47.6 -38.7 2.8 -5.2 -1.5 162 164 A F H 3X S+ 0 0 102 -4,-1.4 4,-1.2 1,-0.2 3,-0.3 0.869 105.5 56.4 -67.4 -40.8 5.5 -3.9 -4.0 163 165 A L H S+ 0 0 124 1,-0.1 3,-0.7 2,-0.1 -1,-0.2 0.768 94.6 63.4 -61.4 -32.5 14.4 -10.6 1.0 172 182 A L G > S+ 0 0 3 -3,-0.2 3,-0.9 1,-0.2 -2,-0.2 0.707 83.7 67.3 -69.3 -31.5 11.9 -8.1 2.8 173 183 A K G > S+ 0 0 54 -4,-0.2 3,-2.1 1,-0.2 4,-0.2 0.618 72.2 90.6 -75.7 -10.2 14.3 -5.8 4.8 174 184 A Q G X> + 0 0 63 -3,-0.7 3,-0.6 1,-0.3 4,-0.5 0.512 67.5 82.3 -63.4 -4.2 15.8 -4.2 1.7 175 185 A G H <> S+ 0 0 0 -3,-0.9 4,-1.7 1,-0.2 -1,-0.3 0.593 73.1 75.8 -70.8 -15.2 12.9 -1.5 2.0 176 186 A I H <> S+ 0 0 1 -3,-2.1 4,-2.9 2,-0.2 5,-0.2 0.874 87.6 59.0 -61.8 -39.1 15.2 0.2 4.6 177 187 A Y H <> S+ 0 0 41 -3,-0.6 4,-1.5 25,-0.4 -1,-0.2 0.902 106.4 48.0 -54.4 -44.1 17.2 1.4 1.6 178 188 A Q H X S+ 0 0 79 -4,-0.5 4,-0.7 2,-0.2 -1,-0.2 0.849 111.9 48.1 -67.8 -38.9 14.1 3.1 0.3 179 189 A V H >X S+ 0 0 9 -4,-1.7 3,-1.0 1,-0.2 4,-0.6 0.916 111.9 49.4 -67.1 -44.0 13.2 4.7 3.7 180 190 A L H >X S+ 0 0 12 -4,-2.9 4,-0.6 1,-0.3 3,-0.6 0.792 99.9 66.5 -67.8 -26.2 16.8 6.0 4.2 181 191 A T H >< S+ 0 0 51 -4,-1.5 3,-0.6 -5,-0.2 -1,-0.3 0.815 92.7 62.5 -61.0 -31.1 16.6 7.5 0.6 182 192 A L H << S+ 0 0 49 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.865 110.1 37.7 -62.1 -36.5 14.0 9.9 2.0 183 193 A E H X< S+ 0 0 15 -4,-0.6 3,-0.6 -3,-0.6 4,-0.4 0.368 86.4 103.0-100.4 4.9 16.6 11.4 4.4 184 194 A V G X< S+ 0 0 51 -3,-0.6 3,-1.1 -4,-0.6 -1,-0.2 0.895 84.2 43.4 -50.3 -54.4 19.7 11.3 2.1 185 195 A P G 3 S+ 0 0 93 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.676 110.4 57.1 -71.9 -16.6 19.6 15.1 1.2 186 196 A Y G < S+ 0 0 56 -3,-0.6 -48,-2.3 -4,-0.1 -2,-0.2 0.390 77.3 121.7 -90.4 0.9 18.9 16.2 4.9 187 197 A L B < -A 137 0A 12 -3,-1.1 -50,-0.2 -4,-0.4 -51,-0.1 -0.444 61.7-127.3 -67.2 134.7 22.1 14.4 6.3 188 198 A T > - 0 0 20 -52,-1.7 4,-2.0 -53,-0.1 3,-0.4 -0.336 24.9-105.1 -73.5 161.5 24.5 16.8 8.1 189 199 A P H > S+ 0 0 119 0, 0.0 4,-0.5 0, 0.0 3,-0.2 0.906 117.8 59.6 -54.8 -43.3 28.2 16.9 7.2 190 200 A E H 4 S+ 0 0 137 1,-0.2 4,-0.2 -55,-0.2 -54,-0.1 0.851 120.1 23.0 -47.6 -47.8 29.1 15.0 10.4 191 201 A Y H > S+ 0 0 45 -3,-0.4 4,-2.5 -56,-0.3 5,-0.3 0.529 89.5 98.3-106.2 -10.2 27.1 11.9 9.5 192 202 A R H X S+ 0 0 70 -4,-2.0 4,-2.1 1,-0.2 5,-0.3 0.892 86.9 53.6 -46.9 -47.1 26.6 11.9 5.6 193 203 A E H X S+ 0 0 78 -4,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.902 115.9 35.1 -54.0 -54.1 29.6 9.3 5.3 194 204 A R H > S+ 0 0 129 -4,-0.2 4,-3.1 -3,-0.2 5,-0.2 0.892 114.5 52.9 -73.3 -46.2 28.2 6.7 7.8 195 205 A V H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.910 114.3 44.3 -61.1 -42.1 24.4 7.0 7.1 196 206 A L H X S+ 0 0 59 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.876 113.8 51.4 -63.4 -40.0 25.1 6.5 3.3 197 207 A A H X S+ 0 0 64 -4,-1.4 4,-1.0 -5,-0.3 -2,-0.2 0.888 112.9 45.1 -62.1 -42.7 27.5 3.6 4.2 198 208 A L H < S+ 0 0 43 -4,-3.1 4,-0.4 2,-0.2 3,-0.4 0.886 109.7 55.2 -65.1 -46.3 24.8 2.0 6.4 199 209 A R H >< S+ 0 0 40 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.918 103.2 56.7 -54.4 -48.2 22.2 2.6 3.6 200 210 A E H >< S+ 0 0 93 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.808 93.1 67.2 -54.1 -36.7 24.4 0.7 1.1 201 211 A K T 3< S+ 0 0 86 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.699 101.3 51.4 -60.3 -17.7 24.4 -2.4 3.4 202 212 A Y T < S+ 0 0 36 -3,-1.9 -25,-0.4 -4,-0.4 -1,-0.3 0.238 81.3 138.7-102.4 17.1 20.6 -2.8 2.6 203 213 A R < 0 0 135 -3,-1.8 -28,-0.1 1,-0.1 -29,-0.1 -0.479 360.0 360.0 -76.9 119.2 20.7 -2.6 -1.3 204 214 A P 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -29,-0.0 0.612 360.0 360.0 -92.1 360.0 18.6 -4.9 -3.6