==== 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 08-OCT-07 2RHA . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, TETR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM AROMATICIVORANS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 203 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 74.9 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 . 5 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 63.1 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 0 0 0 0 3 0 0 2 1 1 0 0 1 0 1 1 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 . 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 10 A N 0 0 185 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.0 27.0 -20.9 46.8 2 11 A L - 0 0 162 1,-0.0 2,-0.1 2,-0.0 0, 0.0 -0.817 360.0-125.6-102.3 124.3 28.0 -19.7 43.3 3 12 A E - 0 0 110 -2,-0.5 -1,-0.0 1,-0.0 0, 0.0 -0.471 14.4-157.2 -77.1 149.3 28.7 -16.0 43.3 4 13 A T > - 0 0 75 -2,-0.1 3,-1.4 0, 0.0 4,-0.4 -0.900 20.0-141.3-121.7 94.2 27.0 -13.7 40.8 5 14 A P T 3 S+ 0 0 123 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.304 79.8 22.7 -57.4 144.5 29.1 -10.6 40.3 6 15 A G T 3> S+ 0 0 51 1,-0.0 4,-2.1 4,-0.0 5,-0.1 0.110 92.9 100.0 93.2 -18.0 27.3 -7.3 40.0 7 16 A A H <> S+ 0 0 12 -3,-1.4 4,-2.0 2,-0.2 5,-0.1 0.884 80.9 47.8 -74.0 -44.3 24.0 -8.3 41.7 8 17 A R H > S+ 0 0 101 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.923 114.2 47.8 -57.9 -48.5 24.7 -6.8 45.1 9 18 A D H > S+ 0 0 101 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.848 109.0 54.2 -60.3 -43.5 25.7 -3.5 43.5 10 19 A L H X S+ 0 0 79 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.891 107.4 50.8 -59.0 -44.5 22.6 -3.5 41.2 11 20 A L H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.915 112.6 46.4 -59.1 -45.2 20.4 -3.9 44.2 12 21 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.911 114.4 46.4 -66.6 -41.2 22.1 -1.0 46.0 13 22 A Q H X S+ 0 0 70 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.887 111.4 52.2 -68.7 -37.4 22.0 1.3 42.9 14 23 A T H X S+ 0 0 13 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.940 110.4 47.7 -62.2 -47.2 18.4 0.4 42.3 15 24 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.931 113.5 49.6 -56.3 -46.4 17.5 1.3 45.9 16 25 A S H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.930 111.0 48.5 -56.9 -48.5 19.4 4.6 45.5 17 26 A N H X S+ 0 0 57 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.894 108.9 52.6 -63.9 -43.4 17.7 5.4 42.2 18 27 A I H X S+ 0 0 13 -4,-2.5 4,-1.6 2,-0.2 6,-0.2 0.932 114.1 44.0 -55.1 -48.9 14.2 4.8 43.7 19 28 A X H X>S+ 0 0 1 -4,-2.1 5,-2.0 -5,-0.2 4,-0.8 0.936 116.6 45.0 -62.7 -46.4 15.0 7.1 46.6 20 29 A R H <5S+ 0 0 47 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.889 117.2 43.3 -67.0 -46.4 16.5 9.8 44.4 21 30 A E H <5S+ 0 0 131 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.743 119.2 45.5 -66.9 -29.5 13.8 9.8 41.7 22 31 A G H <5S- 0 0 40 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.497 101.8-126.8 -95.7 -5.5 11.1 9.6 44.3 23 32 A D T <5S+ 0 0 64 -4,-0.8 2,-0.3 -3,-0.4 -3,-0.2 0.899 73.7 116.6 53.0 42.9 12.3 12.3 46.7 24 33 A V < - 0 0 69 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.828 65.0-146.4-130.9 168.2 12.0 9.7 49.5 25 34 A V S S+ 0 0 35 -2,-0.3 2,-0.3 -3,-0.1 -6,-0.1 -0.174 78.8 73.1-125.9 33.4 14.4 7.9 51.9 26 35 A D - 0 0 72 -11,-0.1 2,-0.3 -8,-0.1 -2,-0.1 -0.976 53.8-174.7-146.3 153.6 12.4 4.6 51.9 27 36 A I - 0 0 6 -2,-0.3 2,-0.4 -9,-0.0 -12,-0.0 -0.985 21.8-128.0-142.1 153.5 11.8 1.7 49.5 28 37 A S > - 0 0 54 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.854 20.9-130.5 -96.0 143.5 9.7 -1.4 49.4 29 38 A L H > S+ 0 0 64 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 0.815 109.6 57.8 -55.7 -32.1 11.4 -4.7 48.7 30 39 A S H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.898 106.8 44.7 -70.2 -41.4 8.7 -5.3 46.0 31 40 A E H > S+ 0 0 81 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.849 111.5 55.4 -66.2 -32.5 9.5 -2.1 44.1 32 41 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 6,-0.4 0.913 110.4 45.2 -64.9 -44.4 13.2 -3.0 44.5 33 42 A S H X S+ 0 0 28 -4,-2.1 4,-1.6 2,-0.2 5,-0.2 0.881 115.0 47.7 -61.4 -44.7 12.5 -6.4 42.8 34 43 A L H < S+ 0 0 146 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.936 116.6 41.4 -65.5 -47.8 10.4 -4.9 40.1 35 44 A R H < S+ 0 0 92 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.888 122.6 38.6 -71.0 -36.5 12.8 -2.1 39.2 36 45 A S H < S- 0 0 18 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.728 98.1-131.9 -83.9 -26.1 16.1 -4.3 39.4 37 46 A G < + 0 0 64 -4,-1.6 2,-0.3 1,-0.3 -3,-0.1 0.508 67.5 121.5 81.0 7.7 14.5 -7.4 37.9 38 47 A L - 0 0 39 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.764 63.0-107.9-105.5 151.8 16.0 -9.5 40.7 39 48 A N >> - 0 0 106 -2,-0.3 3,-1.6 -3,-0.1 4,-0.7 -0.248 25.3-105.6 -85.6 163.0 13.9 -11.6 43.0 40 49 A S H >> S+ 0 0 63 1,-0.3 4,-1.2 2,-0.2 3,-1.0 0.848 113.4 62.7 -44.9 -49.3 13.1 -11.2 46.7 41 50 A A H 3> S+ 0 0 58 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.747 93.1 64.2 -54.5 -29.8 15.5 -13.9 47.9 42 51 A L H <> S+ 0 0 45 -3,-1.6 4,-3.2 2,-0.2 5,-0.3 0.881 99.3 51.8 -67.4 -37.4 18.5 -12.0 46.6 43 52 A V H S+ 0 0 2 -3,-1.0 4,-3.2 -4,-0.7 5,-0.6 0.922 113.5 45.2 -59.1 -44.5 17.9 -9.1 49.1 44 53 A K H X5S+ 0 0 55 -4,-1.2 4,-1.6 3,-0.2 -2,-0.2 0.914 113.8 50.2 -66.1 -44.0 17.8 -11.7 51.9 45 54 A Y H <5S+ 0 0 117 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.939 122.1 30.8 -59.3 -50.8 20.9 -13.4 50.5 46 55 A Y H <5S+ 0 0 52 -4,-3.2 -2,-0.2 -5,-0.1 -1,-0.2 0.878 140.2 12.6 -77.0 -38.8 23.0 -10.3 50.2 47 56 A F H <5S- 0 0 22 -4,-3.2 2,-1.4 -5,-0.3 -3,-0.2 0.501 83.2-130.6-123.0 -10.9 21.6 -8.1 53.1 48 57 A G S < S- 0 0 92 -2,-1.4 4,-1.9 -6,-0.2 3,-0.2 -0.906 87.7 -73.0-160.5-177.2 16.5 -7.8 55.4 50 59 A K H > S+ 0 0 66 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.856 127.0 55.3 -56.3 -42.3 15.6 -4.2 54.5 51 60 A A H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 108.5 50.1 -59.0 -41.9 17.6 -2.8 57.5 52 61 A G H > S+ 0 0 18 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.904 110.2 48.6 -62.8 -43.7 20.6 -4.6 56.2 53 62 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.923 112.3 49.0 -62.3 -46.7 20.2 -3.3 52.6 54 63 A L H X S+ 0 0 3 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.881 111.4 49.4 -61.1 -41.2 19.8 0.3 54.0 55 64 A K H X S+ 0 0 45 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.872 112.0 48.2 -64.6 -39.8 22.9 -0.0 56.1 56 65 A A H X S+ 0 0 12 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.858 110.2 52.7 -67.1 -36.4 24.9 -1.4 53.1 57 66 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.921 110.0 48.3 -62.1 -45.3 23.5 1.6 51.0 58 67 A L H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.938 111.4 50.3 -60.0 -49.6 24.7 4.0 53.7 59 68 A D H < S+ 0 0 73 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.905 113.8 44.9 -54.8 -46.6 28.1 2.4 53.8 60 69 A R H >< S+ 0 0 46 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.894 112.8 49.0 -62.6 -49.8 28.5 2.5 50.1 61 70 A D H 3< S+ 0 0 2 -4,-2.5 3,-0.3 1,-0.2 4,-0.3 0.754 109.9 53.4 -63.0 -28.5 27.3 6.1 49.7 62 71 A X T 3X S+ 0 0 6 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.543 82.1 92.7 -84.8 -10.4 29.6 7.4 52.5 63 72 A E H <> S+ 0 0 111 -3,-0.9 4,-2.3 -4,-0.5 -1,-0.2 0.825 84.9 47.5 -55.3 -44.3 32.9 5.9 51.0 64 73 A N H > S+ 0 0 78 -3,-0.3 4,-2.0 -4,-0.3 -1,-0.2 0.875 113.3 47.7 -70.7 -35.6 34.0 8.9 49.0 65 74 A I H > S+ 0 0 0 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.950 111.9 50.5 -66.1 -47.9 33.4 11.3 51.9 66 75 A V H X S+ 0 0 36 -4,-2.6 4,-1.9 1,-0.2 3,-0.3 0.926 112.5 47.4 -54.4 -45.3 35.3 8.9 54.3 67 76 A K H X S+ 0 0 133 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.853 107.8 56.0 -62.8 -38.9 38.2 8.8 51.7 68 77 A S H < S+ 0 0 11 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.828 107.2 49.0 -64.0 -32.2 38.2 12.6 51.4 69 78 A V H >< S+ 0 0 0 -4,-1.7 3,-0.9 -3,-0.3 4,-0.5 0.907 109.9 51.2 -75.1 -39.8 38.6 13.0 55.1 70 79 A D H >< S+ 0 0 106 -4,-1.9 3,-1.0 1,-0.2 4,-0.3 0.886 103.9 58.8 -62.1 -38.0 41.5 10.5 55.1 71 80 A A G >< S+ 0 0 45 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.680 87.6 78.4 -61.6 -21.5 43.2 12.5 52.2 72 81 A L G < S+ 0 0 3 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.885 100.0 38.0 -54.9 -43.1 43.2 15.6 54.5 73 82 A L G < S+ 0 0 60 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.383 89.2 128.2 -92.4 2.5 46.3 14.2 56.4 74 83 A A < - 0 0 44 -3,-0.9 2,-1.6 -4,-0.3 4,-0.2 -0.261 68.2-118.9 -57.7 141.1 48.0 12.8 53.2 75 84 A K + 0 0 215 2,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.670 67.6 129.2 -82.8 82.0 51.6 13.8 52.6 76 85 A D S S- 0 0 65 -2,-1.6 0, 0.0 2,-0.2 0, 0.0 -0.488 74.4-101.2-114.2-168.7 51.1 15.4 49.2 77 86 A D S S+ 0 0 174 -2,-0.2 2,-0.3 2,-0.0 -2,-0.1 0.143 78.9 124.2-106.3 24.9 52.3 19.0 48.4 78 87 A X - 0 0 66 -4,-0.2 -2,-0.2 1,-0.1 0, 0.0 -0.629 59.3-124.4 -92.6 138.4 48.9 20.6 48.9 79 88 A S > - 0 0 58 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.220 30.6-105.6 -65.8 163.8 48.3 23.5 51.3 80 89 A P H > S+ 0 0 44 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.873 123.4 53.2 -59.4 -37.6 45.6 23.2 54.0 81 90 A E H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.920 110.4 46.1 -61.5 -45.6 43.4 25.5 51.9 82 91 A A H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.880 112.8 50.2 -64.2 -42.2 43.7 23.3 48.8 83 92 A K H X S+ 0 0 24 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.899 112.6 46.3 -64.7 -44.6 43.1 20.1 50.8 84 93 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.903 108.5 54.7 -66.5 -44.4 39.9 21.5 52.4 85 94 A R H X S+ 0 0 78 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.891 110.1 49.0 -53.1 -41.1 38.6 22.9 49.1 86 95 A R H X S+ 0 0 86 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.863 109.8 50.3 -66.6 -40.3 38.9 19.4 47.7 87 96 A H H X S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.935 110.8 48.5 -64.2 -44.4 37.1 17.8 50.7 88 97 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.897 110.4 52.8 -62.5 -43.4 34.2 20.2 50.5 89 98 A S H X S+ 0 0 30 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.894 108.7 50.8 -59.8 -39.1 34.0 19.5 46.6 90 99 A K H X S+ 0 0 96 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.881 108.2 50.7 -64.8 -43.6 33.8 15.8 47.4 91 100 A C H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.921 111.4 49.2 -57.2 -45.7 31.0 16.2 49.9 92 101 A I H X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.887 108.6 51.4 -63.3 -46.7 29.1 18.2 47.4 93 102 A D H X S+ 0 0 60 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.877 109.0 54.1 -58.2 -39.3 29.6 15.6 44.6 94 103 A T H X S+ 0 0 5 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.887 107.3 47.9 -61.7 -42.5 28.3 13.0 47.0 95 104 A Y H < S+ 0 0 2 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.733 104.9 59.9 -75.1 -25.6 25.1 14.8 47.8 96 105 A Y H < S+ 0 0 51 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.933 116.6 33.9 -57.5 -47.0 24.4 15.4 44.1 97 106 A D H < S+ 0 0 70 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.872 135.8 24.4 -74.6 -41.4 24.4 11.6 43.7 98 107 A Y >< + 0 0 37 -4,-2.7 3,-1.9 -5,-0.2 -1,-0.2 -0.616 64.1 162.4-128.8 69.6 22.9 10.7 47.1 99 108 A P T 3 S+ 0 0 7 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.753 76.0 61.1 -66.9 -22.4 20.8 13.8 48.3 100 109 A Y T 3> S+ 0 0 3 1,-0.2 4,-2.5 -76,-0.1 5,-0.2 0.329 73.5 107.1 -77.5 -0.2 19.0 11.5 50.8 101 110 A L H <> S+ 0 0 1 -3,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.815 76.4 45.7 -58.5 -41.2 22.2 10.6 52.7 102 111 A N H > S+ 0 0 35 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.902 115.9 47.9 -67.2 -41.5 21.7 12.7 55.9 103 112 A R H > S+ 0 0 96 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.863 110.6 51.6 -64.3 -38.8 18.1 11.5 56.2 104 113 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.926 110.3 48.9 -65.3 -43.8 19.3 7.9 55.6 105 114 A L H X S+ 0 0 15 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.953 112.3 49.3 -56.9 -52.1 21.9 8.2 58.3 106 115 A X H X S+ 0 0 99 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.855 109.4 49.4 -55.7 -44.7 19.3 9.7 60.7 107 116 A R H X S+ 0 0 39 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.872 111.0 50.2 -68.5 -34.3 16.6 7.0 60.2 108 117 A L H X S+ 0 0 6 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.875 112.6 46.4 -70.9 -39.0 19.2 4.2 60.7 109 118 A V H < S+ 0 0 44 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.955 116.1 47.1 -61.1 -48.9 20.4 5.8 64.0 110 119 A R H < S+ 0 0 176 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.870 121.5 33.7 -57.6 -41.7 16.7 6.3 65.0 111 120 A D H < S+ 0 0 87 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.657 95.7 91.6-100.8 -20.1 15.6 2.8 64.2 112 121 A S S < S- 0 0 24 -4,-1.9 6,-0.0 -5,-0.2 -4,-0.0 -0.323 87.6 -89.7 -71.9 159.6 18.5 0.5 64.9 113 122 A D > - 0 0 141 1,-0.1 4,-2.8 4,-0.1 5,-0.2 -0.278 50.9-100.6 -57.1 157.7 19.1 -1.3 68.2 114 123 A E H > S+ 0 0 176 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.864 118.7 50.6 -56.5 -45.1 21.2 0.9 70.5 115 124 A A H > S+ 0 0 57 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.911 116.6 41.7 -63.4 -44.2 24.6 -0.8 70.0 116 125 A E H > S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.861 111.4 54.8 -70.6 -40.9 24.3 -0.6 66.2 117 126 A A H X S+ 0 0 12 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.908 109.3 50.5 -57.8 -41.9 22.8 2.9 66.3 118 127 A K H X S+ 0 0 129 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.862 108.5 50.7 -63.2 -39.5 26.0 3.9 68.3 119 128 A R H X S+ 0 0 141 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.899 114.3 44.2 -67.0 -41.3 28.3 2.3 65.8 120 129 A I H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.944 115.8 45.9 -66.6 -51.7 26.7 4.1 62.9 121 130 A A H X S+ 0 0 16 -4,-3.0 4,-2.1 1,-0.2 5,-0.4 0.932 113.6 50.3 -57.1 -48.1 26.5 7.5 64.7 122 131 A D H < S+ 0 0 87 -4,-2.6 7,-0.3 -5,-0.2 -1,-0.2 0.819 115.7 43.2 -62.0 -30.9 30.2 7.1 65.8 123 132 A Q H <>S+ 0 0 98 -4,-1.4 5,-0.6 -5,-0.2 -1,-0.2 0.868 127.2 21.6 -80.9 -39.3 31.3 6.3 62.3 124 133 A Y H <5S+ 0 0 11 -4,-2.5 -3,-0.2 3,-0.2 -2,-0.2 0.549 94.2 83.3-120.1 -8.0 29.4 8.8 60.2 125 134 A L T <5S+ 0 0 56 -4,-2.1 -3,-0.1 1,-0.4 -1,-0.1 0.951 123.9 4.1 -62.7 -49.5 28.2 11.9 62.2 126 135 A L T > 5S- 0 0 14 -5,-0.4 3,-0.8 -4,-0.2 -1,-0.4 -0.897 99.0-130.5-125.7 101.4 31.7 13.4 61.7 127 136 A P T 3 5S- 0 0 0 0, 0.0 5,-0.3 0, 0.0 -3,-0.2 -0.287 82.6 -7.5 -56.4 137.6 33.5 10.9 59.5 128 137 A L T 3> S+ 0 0 71 -3,-0.8 4,-3.0 -7,-0.3 5,-0.2 0.770 72.9 57.1 -61.9 -33.2 36.7 12.5 63.4 130 139 A R H > S+ 0 0 172 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 112.1 42.8 -61.9 -46.2 40.2 12.1 64.8 131 140 A A H > S+ 0 0 15 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.922 115.5 49.7 -60.2 -48.5 41.7 12.9 61.4 132 141 A Y H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.920 112.7 46.0 -60.0 -49.9 39.2 15.7 60.8 133 142 A N H X S+ 0 0 70 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.891 112.9 50.8 -59.3 -41.3 39.9 17.3 64.2 134 143 A R H X S+ 0 0 154 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.866 110.2 49.5 -68.1 -39.6 43.7 17.0 63.7 135 144 A F H X S+ 0 0 5 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.920 114.4 43.7 -64.2 -46.0 43.5 18.6 60.2 136 145 A I H X S+ 0 0 4 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.919 113.9 50.5 -65.8 -48.7 41.5 21.6 61.4 137 146 A G H X S+ 0 0 29 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.868 109.5 51.0 -51.0 -47.1 43.6 22.0 64.6 138 147 A E H X S+ 0 0 100 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.920 109.9 50.7 -57.1 -45.5 46.8 22.0 62.5 139 148 A G H <>S+ 0 0 1 -4,-1.9 5,-2.1 2,-0.2 6,-1.6 0.830 109.9 49.5 -66.3 -34.7 45.3 24.6 60.2 140 149 A V H ><5S+ 0 0 46 -4,-1.9 3,-1.9 4,-0.2 -2,-0.2 0.959 110.9 49.2 -66.2 -51.2 44.3 26.8 63.2 141 150 A K H 3<5S+ 0 0 181 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.810 108.7 53.7 -57.1 -34.5 47.8 26.6 64.7 142 151 A A T 3<5S- 0 0 72 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.505 115.8-116.4 -79.0 -3.7 49.4 27.4 61.3 143 152 A G T < 5S+ 0 0 35 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.582 89.1 108.8 79.6 10.5 47.2 30.7 61.2 144 153 A V S - 0 0 88 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.787 25.2-149.2 -89.9 117.5 34.1 23.3 65.6 150 159 A P H > S+ 0 0 16 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.907 95.8 54.9 -56.4 -40.2 34.7 20.5 62.9 151 160 A Q H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.943 111.1 45.2 -58.5 -47.0 31.4 18.8 63.6 152 161 A L H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 111.5 52.8 -61.2 -41.7 29.5 22.1 62.9 153 162 A F H X S+ 0 0 19 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.936 110.3 47.1 -59.7 -48.3 31.6 22.8 59.9 154 163 A Y H X S+ 0 0 6 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.890 111.4 51.7 -60.7 -42.8 30.8 19.3 58.4 155 164 A F H X S+ 0 0 91 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.856 109.6 51.6 -58.4 -37.4 27.1 19.9 59.2 156 165 A T H X S+ 0 0 76 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.950 112.6 42.8 -67.7 -49.1 27.2 23.1 57.4 157 166 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.935 121.5 39.5 -61.2 -48.9 28.8 21.7 54.3 158 167 A T H X S+ 0 0 3 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.858 114.9 52.3 -76.1 -34.8 26.6 18.6 54.1 159 168 A G H X S+ 0 0 28 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.887 110.4 48.7 -63.1 -44.4 23.4 20.5 55.2 160 169 A A H X S+ 0 0 38 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.916 113.0 45.4 -60.5 -50.8 23.9 23.1 52.5 161 170 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.901 113.2 52.1 -62.9 -40.0 24.5 20.5 49.6 162 171 A D H X S+ 0 0 19 -4,-2.1 4,-2.8 1,-0.2 5,-0.4 0.958 110.0 48.8 -60.0 -50.6 21.5 18.4 50.9 163 172 A R H X S+ 0 0 186 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.931 114.6 44.8 -54.1 -53.0 19.2 21.4 50.8 164 173 A F H X S+ 0 0 39 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.973 118.3 38.9 -59.9 -56.7 20.2 22.5 47.4 165 174 A F H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.902 116.0 51.8 -69.2 -37.7 20.2 19.2 45.6 166 175 A S H X S+ 0 0 18 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.920 113.4 45.4 -62.1 -43.8 17.0 17.9 47.4 167 176 A A H X S+ 0 0 38 -4,-2.2 4,-2.3 -5,-0.4 5,-0.2 0.925 112.6 49.8 -62.8 -48.2 15.2 21.1 46.5 168 177 A R H X S+ 0 0 65 -4,-2.7 4,-2.2 -5,-0.2 11,-0.2 0.866 112.4 47.8 -62.2 -36.5 16.4 21.1 42.9 169 178 A L H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.910 109.6 52.2 -69.9 -40.8 15.3 17.5 42.4 170 179 A V H X S+ 0 0 61 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.917 113.0 45.7 -59.6 -41.7 11.9 18.1 44.0 171 180 A L H X S+ 0 0 64 -4,-2.3 4,-2.5 2,-0.2 6,-0.6 0.895 111.5 52.1 -71.2 -40.7 11.4 21.0 41.5 172 181 A K H X S+ 0 0 67 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.939 113.5 44.0 -56.0 -49.2 12.6 18.9 38.6 173 182 A H H < S+ 0 0 61 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.804 120.5 39.6 -70.6 -27.7 10.2 16.1 39.5 174 183 A C H < S+ 0 0 82 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.805 133.1 17.1 -89.9 -35.9 7.2 18.4 40.1 175 184 A F H < S- 0 0 128 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.286 98.0-115.9-121.5 4.1 7.4 21.1 37.4 176 185 A D < + 0 0 145 -4,-1.3 2,-0.5 -5,-0.3 -4,-0.2 0.947 59.2 154.8 46.8 54.2 9.8 19.4 34.9 177 186 A Q - 0 0 91 -6,-0.6 2,-1.0 -9,-0.2 -1,-0.2 -0.666 24.1-170.4-101.8 65.8 12.4 22.1 35.6 178 187 A D + 0 0 109 -2,-0.5 -9,-0.1 1,-0.2 3,-0.1 -0.487 27.9 146.8 -59.0 100.3 15.5 20.1 34.7 179 188 A T + 0 0 38 -2,-1.0 2,-2.6 -11,-0.2 5,-0.2 0.555 29.9 105.1-114.1 -13.7 18.0 22.6 35.9 180 189 A L + 0 0 14 -3,-0.1 -1,-0.1 -12,-0.1 -2,-0.1 -0.107 50.3 156.9 -75.6 51.4 20.9 20.3 37.1 181 190 A T > - 0 0 74 -2,-2.6 4,-3.1 1,-0.1 5,-0.3 -0.288 59.0-110.7 -65.9 150.1 23.1 21.1 34.1 182 191 A E H > S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.884 121.7 52.9 -49.7 -42.9 26.9 20.7 34.3 183 192 A Q H > S+ 0 0 130 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.887 111.8 44.3 -62.6 -43.1 27.1 24.5 34.1 184 193 A L H > S+ 0 0 42 -5,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.936 114.0 48.8 -65.2 -50.5 24.7 25.0 37.1 185 194 A R H X S+ 0 0 64 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.846 112.4 48.4 -62.1 -32.6 26.3 22.2 39.2 186 195 A D H X S+ 0 0 65 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.838 111.5 49.5 -75.6 -34.2 29.8 23.7 38.6 187 196 A S H X S+ 0 0 47 -4,-1.4 4,-2.7 -5,-0.2 -2,-0.2 0.902 111.8 50.3 -66.3 -39.6 28.5 27.1 39.5 188 197 A Y H X S+ 0 0 27 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.940 111.1 47.1 -62.2 -51.6 27.0 25.6 42.7 189 198 A R H X S+ 0 0 65 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.880 114.1 48.1 -60.9 -41.3 30.2 23.8 43.7 190 199 A E H X S+ 0 0 118 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.949 114.4 44.3 -67.3 -50.5 32.3 27.0 43.1 191 200 A H H X S+ 0 0 119 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.888 117.3 46.0 -56.9 -43.7 30.0 29.3 45.0 192 201 A T H X S+ 0 0 17 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.918 111.9 49.2 -72.8 -44.0 29.6 26.9 47.9 193 202 A V H X S+ 0 0 2 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.941 113.9 48.8 -56.0 -46.0 33.3 26.1 48.2 194 203 A D H X S+ 0 0 73 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.888 112.3 47.1 -60.6 -45.5 34.0 29.8 48.1 195 204 A F H X S+ 0 0 154 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.959 114.5 46.0 -61.3 -49.9 31.4 30.6 50.8 196 205 A I H X S+ 0 0 11 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.904 112.9 49.8 -64.9 -42.6 32.5 27.8 53.1 197 206 A X H >X S+ 0 0 2 -4,-2.6 4,-3.1 -5,-0.3 3,-0.6 0.895 107.8 53.2 -61.5 -41.2 36.1 28.7 52.7 198 207 A A H 3< S+ 0 0 77 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.880 106.0 57.0 -59.4 -37.7 35.4 32.4 53.5 199 208 A G H 3< S+ 0 0 35 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.805 119.0 28.0 -58.3 -34.1 33.7 31.1 56.6 200 209 A I H << S+ 0 0 0 -4,-1.0 -54,-3.4 -3,-0.6 -2,-0.2 0.780 90.9 103.2-106.8 -30.6 36.8 29.3 57.9 201 210 A L B < S-A 145 0A 46 -4,-3.1 -56,-0.3 -56,-0.2 -57,-0.1 -0.303 71.7-116.8 -64.2 131.7 39.9 31.2 56.5 202 211 A A 0 0 20 -58,-3.0 -1,-0.1 -59,-0.1 -2,-0.1 -0.349 360.0 360.0 -66.7 152.8 41.8 33.4 59.0 203 212 A H 0 0 239 -2,-0.1 -59,-0.0 -58,-0.0 -2,-0.0 -0.398 360.0 360.0 49.9 360.0 42.0 37.3 58.5