==== 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 GENE REGULATION 08-MAR-06 2DG6 . COMPND 2 MOLECULE: PUTATIVE TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR T.HAYASHI,Y.TANAKA,N.SAKAI,M.YAO,T.TAMURA,I.TANAKA . 207 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 74.4 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 . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.4 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 1 0 1 1 1 2 0 0 0 2 0 1 0 1 0 0 0 0 0 1 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 X 0 0 52 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 149.6 -8.3 86.5 9.3 2 2 A R > - 0 0 167 1,-0.1 4,-2.1 0, 0.0 5,-0.1 -0.382 360.0-100.6 -98.5-180.0 -9.5 86.6 12.9 3 3 A L H > S+ 0 0 93 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.944 124.1 49.9 -64.9 -49.6 -9.3 84.1 15.7 4 4 A A H > S+ 0 0 71 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.913 110.4 49.0 -56.0 -47.9 -13.0 83.1 15.2 5 5 A D H > S+ 0 0 72 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.919 111.8 50.8 -58.9 -43.2 -12.4 82.7 11.4 6 6 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 6,-0.4 0.916 114.6 42.1 -61.2 -46.0 -9.3 80.5 12.2 7 7 A S H X>S+ 0 0 22 -4,-2.8 4,-2.0 2,-0.2 5,-0.8 0.954 117.7 44.9 -67.5 -50.7 -11.2 78.3 14.7 8 8 A K H <5S+ 0 0 190 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.862 116.0 46.5 -63.7 -37.4 -14.4 78.0 12.5 9 9 A R H <5S+ 0 0 109 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.812 118.4 41.6 -75.0 -29.4 -12.5 77.3 9.3 10 10 A S H <5S- 0 0 19 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.658 97.9-132.5 -91.2 -18.6 -10.1 74.8 11.0 11 11 A G T <5 + 0 0 71 -4,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.624 65.8 131.6 74.6 10.1 -12.8 73.0 13.0 12 12 A V < - 0 0 4 -5,-0.8 -1,-0.3 -6,-0.4 -2,-0.2 -0.871 66.5-107.1-101.3 124.2 -10.3 73.4 15.9 13 13 A S > - 0 0 61 -2,-0.5 4,-1.6 1,-0.2 5,-0.1 -0.060 24.9-119.0 -45.8 144.2 -11.6 74.7 19.2 14 14 A T H > S+ 0 0 96 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.608 115.0 53.4 -63.9 -10.8 -10.6 78.3 20.0 15 15 A A H > S+ 0 0 66 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.906 102.5 52.0 -88.0 -52.2 -8.9 76.8 23.1 16 16 A T H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.807 107.7 56.9 -54.0 -31.5 -6.8 74.1 21.4 17 17 A I H X S+ 0 0 9 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.960 105.6 47.1 -66.0 -51.1 -5.5 76.8 19.1 18 18 A K H X S+ 0 0 110 -4,-0.8 4,-2.1 1,-0.2 -2,-0.2 0.840 111.7 54.3 -58.0 -32.5 -4.3 78.9 22.1 19 19 A Y H X S+ 0 0 72 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.913 108.5 46.5 -67.4 -43.8 -2.8 75.7 23.3 20 20 A Y H X>S+ 0 0 6 -4,-2.3 6,-1.5 2,-0.2 5,-1.0 0.860 108.6 58.1 -66.8 -34.7 -0.9 75.1 20.1 21 21 A L H ><5S+ 0 0 33 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.955 113.3 36.3 -60.2 -51.0 0.2 78.8 20.2 22 22 A R H 3<5S+ 0 0 150 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.716 112.0 60.8 -76.3 -19.1 1.9 78.4 23.5 23 23 A E H 3<5S- 0 0 54 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.599 111.8-121.0 -80.5 -10.5 3.1 74.8 22.7 24 24 A G T <<5S+ 0 0 46 -3,-0.8 -3,-0.2 -4,-0.8 -4,-0.1 0.341 84.9 113.2 88.9 -7.2 5.0 76.3 19.8 25 25 A L S > - 0 0 81 1,-0.0 4,-1.4 -26,-0.0 3,-0.9 -0.359 360.0 -86.6-100.7-177.3 -3.1 84.4 7.5 33 41 A E H 3> S+ 0 0 80 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.725 126.9 61.4 -62.6 -22.0 -3.8 81.4 5.3 34 42 A D H 3> S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.825 99.9 53.1 -73.8 -32.2 -0.4 80.0 6.4 35 43 A H H <> S+ 0 0 20 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.900 111.1 47.6 -67.3 -39.7 -1.6 80.0 10.0 36 44 A L H X S+ 0 0 5 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.945 111.1 49.0 -65.8 -49.4 -4.6 78.0 8.9 37 45 A R H X S+ 0 0 59 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.861 109.9 52.8 -59.3 -37.2 -2.5 75.5 6.8 38 46 A R H X S+ 0 0 9 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.954 109.0 49.6 -62.6 -47.6 -0.2 75.0 9.7 39 47 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.924 109.0 52.1 -56.6 -47.0 -3.2 74.2 12.0 40 48 A R H X S+ 0 0 135 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.894 108.7 51.1 -57.4 -40.8 -4.5 71.8 9.4 41 49 A L H X S+ 0 0 8 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.903 108.1 52.3 -64.2 -40.3 -1.1 70.1 9.4 42 50 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.921 110.6 47.4 -60.8 -45.1 -1.1 69.8 13.2 43 51 A R H X>S+ 0 0 64 -4,-2.4 4,-2.7 1,-0.2 5,-0.6 0.833 111.4 51.0 -65.9 -33.9 -4.5 68.2 13.1 44 52 A A H X>S+ 0 0 15 -4,-2.0 5,-2.4 -5,-0.2 4,-1.0 0.889 111.1 48.5 -70.3 -39.5 -3.4 65.8 10.4 45 53 A L H <5S+ 0 0 0 -4,-2.4 6,-2.6 3,-0.2 -2,-0.2 0.919 121.9 34.1 -65.9 -45.1 -0.3 64.8 12.4 46 54 A I H X5S+ 0 0 45 -4,-2.4 4,-0.5 4,-0.2 -2,-0.2 0.943 126.3 35.7 -77.8 -51.3 -2.3 64.3 15.6 47 55 A Q H <5S+ 0 0 123 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.946 135.1 18.1 -70.8 -51.5 -5.6 62.9 14.3 48 56 A V T < - 0 0 72 0, 0.0 4,-2.8 0, 0.0 5,-0.2 -0.280 22.2-118.6 -61.9 149.2 2.4 62.8 20.0 53 61 A V H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.898 115.0 53.3 -55.6 -44.3 2.3 66.5 20.7 54 62 A A H > S+ 0 0 55 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.888 112.0 45.6 -59.3 -39.9 5.9 66.5 21.8 55 63 A T H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.909 109.8 53.1 -70.4 -43.0 6.9 64.7 18.6 56 64 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.864 104.3 58.9 -60.1 -34.2 4.9 67.1 16.4 57 65 A R H X S+ 0 0 108 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.896 106.9 45.4 -62.8 -40.9 6.7 70.0 18.2 58 66 A E H X S+ 0 0 107 -4,-1.2 4,-1.6 -3,-0.3 -1,-0.2 0.912 111.9 52.1 -69.2 -42.5 10.1 68.7 17.0 59 67 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 3,-0.4 0.943 113.0 43.7 -58.1 -49.9 8.8 68.1 13.5 60 68 A L H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.794 106.1 63.2 -67.5 -27.7 7.4 71.6 13.1 61 69 A G H < S+ 0 0 43 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.886 106.4 44.2 -63.0 -37.8 10.6 72.9 14.7 62 70 A H H >< S+ 0 0 47 -4,-1.6 3,-1.2 -3,-0.4 -2,-0.2 0.866 109.8 55.3 -73.3 -36.8 12.5 71.6 11.8 63 71 A V H 3< S+ 0 0 7 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.851 115.5 40.1 -63.1 -32.9 9.9 72.9 9.4 64 72 A D T 3< S+ 0 0 72 -4,-2.1 2,-0.6 -5,-0.1 -1,-0.3 0.262 83.3 126.3 -99.5 9.9 10.5 76.3 11.0 65 73 A D < - 0 0 39 -3,-1.2 3,-0.4 1,-0.1 8,-0.1 -0.585 32.6-179.9 -72.6 115.0 14.3 76.0 11.3 66 74 A D + 0 0 154 -2,-0.6 -1,-0.1 1,-0.2 4,-0.1 0.250 69.2 73.7-100.4 13.3 15.7 79.1 9.6 67 75 A S S S+ 0 0 93 2,-0.1 2,-0.3 1,-0.0 -1,-0.2 0.436 95.7 53.4-102.0 -3.1 19.3 78.2 10.2 68 76 A L S S- 0 0 80 -3,-0.4 5,-0.0 -6,-0.1 -1,-0.0 -0.951 90.0-100.2-133.0 152.8 19.4 75.5 7.6 69 77 A G >> - 0 0 45 -2,-0.3 4,-1.9 1,-0.1 3,-0.7 -0.286 39.7-110.0 -65.7 156.8 18.6 75.2 3.9 70 78 A R H 3> S+ 0 0 123 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.831 113.0 62.5 -58.8 -37.8 15.2 73.6 3.0 71 79 A T H 3> S+ 0 0 125 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.864 111.1 39.3 -58.5 -36.5 16.6 70.4 1.6 72 80 A V H <> S+ 0 0 82 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.862 112.9 55.9 -80.5 -36.3 18.1 69.6 4.9 73 81 A R H X S+ 0 0 49 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.882 104.2 53.4 -62.3 -41.0 15.1 70.8 6.9 74 82 A L H X S+ 0 0 48 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.919 109.9 47.5 -61.7 -44.2 12.7 68.5 5.1 75 83 A G H X S+ 0 0 17 -4,-1.0 4,-2.6 -5,-0.2 -2,-0.2 0.951 113.6 47.9 -61.2 -48.2 14.8 65.5 5.8 76 84 A A H < S+ 0 0 27 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.897 113.5 47.4 -59.1 -43.9 15.1 66.5 9.5 77 85 A A H >< S+ 0 0 0 -4,-2.9 3,-0.8 2,-0.2 4,-0.3 0.926 113.5 47.3 -65.0 -47.1 11.3 67.1 9.8 78 86 A L H >< S+ 0 0 45 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.918 112.7 47.7 -60.9 -47.3 10.3 63.9 8.1 79 87 A W T 3< S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.494 99.9 67.6 -76.7 -1.9 12.7 61.7 10.1 80 88 A A T < S+ 0 0 14 -3,-0.8 -1,-0.3 -4,-0.4 -21,-0.2 0.528 82.7 98.5 -89.7 -10.0 11.5 63.4 13.3 81 89 A L S < S- 0 0 11 -3,-1.4 -3,-0.0 -4,-0.3 -25,-0.0 -0.378 99.6 -68.9 -72.4 156.5 8.2 61.7 12.7 82 90 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.176 63.7-175.1 -49.4 134.9 7.5 58.4 14.6 83 91 A Q - 0 0 69 -3,-0.1 2,-0.1 -4,-0.1 3,-0.1 -0.800 22.4-101.2-128.7 170.9 9.8 55.6 13.3 84 92 A D - 0 0 110 -2,-0.3 41,-0.1 37,-0.2 -1,-0.0 -0.372 47.8 -81.0 -88.9 170.7 10.3 51.9 13.9 85 93 A A - 0 0 83 -2,-0.1 -1,-0.1 1,-0.1 43,-0.1 -0.329 50.4-104.7 -69.0 151.9 12.9 50.2 16.1 86 94 A E - 0 0 144 1,-0.1 -1,-0.1 -3,-0.1 39,-0.0 -0.555 36.5-117.8 -80.9 143.8 16.4 49.6 14.6 87 95 A P - 0 0 32 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.176 25.1-101.0 -75.1 168.0 17.4 46.1 13.4 88 96 A D > - 0 0 100 1,-0.2 3,-2.1 2,-0.0 6,-0.3 -0.804 29.9-164.2 -91.5 98.3 20.2 43.9 14.7 89 97 A E T 3 S+ 0 0 90 -2,-1.1 -1,-0.2 1,-0.3 6,-0.2 0.756 87.3 65.1 -55.1 -24.9 22.8 44.4 12.0 90 98 A A T 3 S+ 0 0 84 -3,-0.1 -1,-0.3 4,-0.1 -2,-0.0 0.765 77.7 102.6 -69.6 -25.8 24.5 41.3 13.3 91 99 A D S X> S- 0 0 39 -3,-2.1 4,-1.8 1,-0.2 3,-0.6 -0.408 70.7-144.8 -61.2 124.6 21.5 39.2 12.2 92 100 A P H 3> S+ 0 0 106 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.802 100.9 58.5 -62.2 -26.7 22.5 37.5 9.0 93 101 A A H 3> S+ 0 0 18 2,-0.2 4,-1.8 1,-0.2 41,-0.1 0.835 104.3 50.4 -70.7 -33.0 18.9 37.9 7.8 94 102 A V H <> S+ 0 0 4 -3,-0.6 4,-2.3 -6,-0.3 -1,-0.2 0.886 108.4 52.2 -71.6 -39.4 19.3 41.7 8.2 95 103 A A H X S+ 0 0 49 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.935 111.0 46.7 -61.4 -47.4 22.5 41.7 6.1 96 104 A A H X S+ 0 0 34 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.890 111.4 52.8 -61.7 -40.3 20.8 39.8 3.3 97 105 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.883 106.0 53.3 -63.6 -39.6 17.9 42.2 3.5 98 106 A R H X S+ 0 0 75 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.894 109.6 48.4 -63.1 -39.7 20.2 45.2 3.2 99 107 A V H X S+ 0 0 68 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.922 112.2 48.3 -66.2 -45.2 21.7 43.8 0.0 100 108 A E H X S+ 0 0 27 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.909 110.8 51.4 -61.6 -43.4 18.4 43.0 -1.5 101 109 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.902 109.8 48.6 -62.2 -42.5 17.1 46.5 -0.7 102 110 A D H X S+ 0 0 63 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.882 111.3 50.0 -66.4 -36.6 20.1 48.2 -2.3 103 111 A R H X S+ 0 0 114 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.872 109.6 53.8 -67.0 -36.1 19.7 46.1 -5.4 104 112 A L H X S+ 0 0 8 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.929 108.0 46.9 -62.9 -48.1 16.1 47.1 -5.4 105 113 A L H X>S+ 0 0 5 -4,-2.3 5,-1.7 1,-0.2 4,-1.0 0.819 112.3 52.7 -64.1 -30.1 16.8 50.8 -5.3 106 114 A E H <5S+ 0 0 102 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.928 111.7 44.6 -70.0 -45.9 19.3 50.2 -8.1 107 115 A L H <5S+ 0 0 98 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.896 116.6 45.7 -64.4 -43.2 16.8 48.4 -10.2 108 116 A L H <5S- 0 0 19 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.648 108.1-124.9 -76.0 -17.6 14.1 51.0 -9.6 109 117 A G T <5 + 0 0 46 -4,-1.0 2,-2.1 -5,-0.2 3,-0.3 0.711 57.1 150.5 80.2 20.0 16.5 53.9 -10.2 110 118 A W >< + 0 0 68 -5,-1.7 4,-1.1 1,-0.2 -1,-0.2 -0.487 10.1 158.5 -84.7 68.5 15.8 55.5 -6.8 111 119 A E H > + 0 0 86 -2,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.826 65.6 57.9 -62.2 -36.9 19.3 56.9 -6.7 112 120 A T H >> S+ 0 0 96 -3,-0.3 4,-1.5 1,-0.2 3,-0.8 0.917 104.7 52.1 -62.0 -42.1 18.5 59.7 -4.2 113 121 A S H 3> S+ 0 0 47 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.815 102.9 59.0 -63.3 -31.1 17.3 57.0 -1.7 114 122 A R H 3< S+ 0 0 70 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.805 108.6 45.9 -67.8 -27.8 20.6 55.2 -2.1 115 123 A E H << S+ 0 0 149 -4,-1.1 -2,-0.2 -3,-0.8 -1,-0.2 0.771 115.4 43.3 -84.9 -29.0 22.3 58.4 -0.9 116 124 A L H >X S+ 0 0 84 -4,-1.5 4,-2.5 1,-0.2 3,-2.1 0.619 88.6 99.1 -88.9 -14.9 20.0 59.0 2.0 117 125 A A T 3< + 0 0 23 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.770 69.0 64.4 -41.9 -42.9 20.2 55.3 2.9 118 126 A P T 34 S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.823 123.1 15.9 -57.2 -30.0 22.8 55.7 5.6 119 127 A L T <4 S+ 0 0 135 -3,-2.1 -2,-0.2 -4,-0.1 -3,-0.1 0.599 91.7 116.3-118.7 -17.0 20.5 57.8 7.8 120 128 A S X - 0 0 17 -4,-2.5 4,-1.9 1,-0.2 5,-0.1 -0.377 44.0-164.4 -60.6 117.4 17.0 57.3 6.4 121 129 A P H > S+ 0 0 8 0, 0.0 4,-1.7 0, 0.0 -37,-0.2 0.756 92.6 57.9 -73.1 -22.1 14.8 55.6 9.0 122 130 A V H > S+ 0 0 89 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.908 104.6 49.4 -71.5 -42.5 12.3 54.8 6.2 123 131 A H H >> S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 3,-0.6 0.946 110.6 52.5 -58.5 -47.1 15.0 52.9 4.4 124 132 A R H 3X S+ 0 0 41 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.852 103.7 55.8 -56.5 -40.4 15.7 51.1 7.6 125 133 A S H 3X S+ 0 0 25 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.820 106.9 50.2 -65.0 -31.4 12.1 50.1 8.0 126 134 A L H S+ 0 0 57 -4,-1.4 5,-2.3 2,-0.2 3,-0.4 0.909 113.5 47.8 -69.8 -43.5 9.8 37.9 5.6 134 142 A R H ><5S+ 0 0 76 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.848 105.4 59.8 -66.2 -33.2 13.1 36.2 4.7 135 143 A R H 3<5S+ 0 0 122 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.820 105.0 49.4 -63.5 -29.7 13.4 35.0 8.3 136 144 A L T 3<5S- 0 0 106 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.196 126.6-108.9 -92.5 14.6 10.1 33.2 7.7 137 145 A D T < 5 + 0 0 142 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.781 69.0 146.3 63.3 33.7 11.7 31.8 4.5 138 146 A Y < - 0 0 132 -5,-2.3 2,-3.0 -6,-0.1 -1,-0.2 -0.904 52.5-129.5 -99.5 119.6 9.7 33.8 2.0 139 147 A P + 0 0 91 0, 0.0 2,-1.0 0, 0.0 5,-0.2 -0.206 43.4 162.5 -65.5 53.5 12.1 34.6 -1.0 140 148 A W + 0 0 68 -2,-3.0 2,-0.2 -10,-0.2 -6,-0.1 -0.664 16.4 153.3 -79.6 105.2 11.4 38.4 -1.1 141 149 A D > - 0 0 42 -2,-1.0 4,-2.3 -41,-0.1 5,-0.2 -0.674 58.8 -83.7-123.5 179.9 14.3 39.8 -3.1 142 150 A A H > S+ 0 0 0 1,-0.2 4,-2.1 -2,-0.2 3,-0.1 0.910 124.5 48.9 -49.9 -54.7 15.1 42.8 -5.3 143 151 A E H 4 S+ 0 0 106 1,-0.2 -1,-0.2 2,-0.2 -3,-0.1 0.872 113.4 47.5 -56.6 -40.6 13.6 41.3 -8.5 144 152 A L H 4 S+ 0 0 65 1,-0.2 4,-0.5 -3,-0.2 -1,-0.2 0.851 114.5 46.1 -71.6 -33.7 10.4 40.2 -6.7 145 153 A X H X S+ 0 0 6 -4,-2.3 4,-2.6 1,-0.2 3,-0.5 0.746 89.9 84.8 -81.3 -24.4 10.0 43.7 -5.1 146 154 A A H X S+ 0 0 20 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.878 90.5 48.1 -44.8 -51.6 10.7 45.7 -8.2 147 155 A P H > S+ 0 0 76 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.887 112.2 49.8 -60.4 -39.2 7.1 45.5 -9.5 148 156 A Y H > S+ 0 0 125 -3,-0.5 4,-2.7 -4,-0.5 -2,-0.2 0.901 108.6 53.7 -64.7 -41.7 5.7 46.5 -6.1 149 157 A G H X S+ 0 0 10 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.909 107.8 49.1 -59.3 -44.3 8.1 49.4 -5.9 150 158 A E H X S+ 0 0 103 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.917 111.7 49.7 -61.4 -44.9 6.9 50.8 -9.3 151 159 A L H X S+ 0 0 103 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.925 111.5 47.8 -60.4 -46.5 3.3 50.5 -8.2 152 160 A X H X S+ 0 0 112 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.825 107.4 56.9 -65.4 -31.0 4.0 52.3 -4.9 153 161 A X H X S+ 0 0 47 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.888 105.2 51.1 -66.6 -38.4 5.8 55.0 -6.8 154 162 A E H X S+ 0 0 96 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.889 110.3 49.6 -66.2 -35.7 2.7 55.6 -8.8 155 163 A V H X S+ 0 0 41 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.944 110.8 50.1 -65.0 -46.6 0.7 55.8 -5.6 156 164 A A H X S+ 0 0 35 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.915 108.2 51.8 -56.7 -47.1 3.3 58.3 -4.3 157 165 A R H X S+ 0 0 147 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.869 110.7 49.7 -59.6 -36.3 3.1 60.4 -7.4 158 166 A R H X S+ 0 0 158 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.880 108.2 51.9 -70.7 -38.5 -0.7 60.5 -7.0 159 167 A D H X S+ 0 0 35 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.975 115.9 40.8 -60.5 -53.3 -0.5 61.5 -3.3 160 168 A L H X S+ 0 0 75 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.848 110.7 55.8 -64.8 -37.7 1.8 64.4 -4.1 161 169 A D H X S+ 0 0 93 -4,-2.2 4,-0.8 -5,-0.3 -1,-0.2 0.899 110.8 48.4 -61.3 -37.6 -0.0 65.4 -7.3 162 170 A F H >X S+ 0 0 93 -4,-1.9 4,-2.9 2,-0.2 3,-1.2 0.967 112.5 45.7 -64.3 -55.2 -3.1 65.7 -5.1 163 171 A X H 3X S+ 0 0 15 -4,-2.5 4,-2.0 1,-0.3 7,-0.2 0.903 108.3 58.2 -54.1 -45.6 -1.3 67.8 -2.4 164 172 A E H 3< S+ 0 0 95 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.718 119.0 29.7 -60.3 -22.4 0.2 70.0 -5.1 165 173 A T H X< S+ 0 0 101 -3,-1.2 3,-1.4 -4,-0.8 -2,-0.2 0.850 121.9 44.3-102.8 -55.8 -3.3 70.9 -6.3 166 174 A H H 3< S+ 0 0 142 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.882 133.8 24.0 -57.6 -39.5 -5.6 70.7 -3.4 167 175 A A T >< S+ 0 0 24 -4,-2.0 3,-2.2 -5,-0.5 -1,-0.3 -0.295 79.7 148.9-121.8 46.6 -3.1 72.6 -1.2 168 176 A S T < S+ 0 0 59 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.694 71.7 50.4 -53.2 -26.1 -1.2 74.3 -4.0 169 177 A E T 3 S+ 0 0 134 -3,-0.1 -1,-0.3 -4,-0.1 2,-0.1 0.411 83.9 115.1 -97.0 2.1 -0.3 77.3 -1.8 170 178 A A S < S- 0 0 14 -3,-2.2 2,-0.1 -7,-0.2 -136,-0.1 -0.386 79.2 -99.1 -71.8 149.5 1.1 75.3 1.1 171 179 A E > - 0 0 59 1,-0.1 4,-2.2 -137,-0.1 5,-0.1 -0.450 36.5-120.5 -65.5 140.8 4.7 75.7 2.0 172 180 A K H > S+ 0 0 91 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.908 108.8 48.1 -52.8 -54.3 6.6 72.7 0.4 173 181 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.927 113.1 50.6 -54.7 -45.3 8.1 71.2 3.6 174 182 A E H > S+ 0 0 15 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.892 111.0 49.3 -58.5 -41.2 4.7 71.4 5.2 175 183 A X H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.940 111.6 47.0 -65.0 -48.2 3.2 69.7 2.2 176 184 A A H X S+ 0 0 28 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.896 111.3 51.0 -62.2 -42.8 5.7 66.9 2.1 177 185 A V H < S+ 0 0 0 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.891 111.5 48.4 -62.9 -39.8 5.4 66.2 5.9 178 186 A A H >X S+ 0 0 10 -4,-1.8 4,-2.8 -5,-0.2 3,-1.3 0.915 109.0 52.3 -65.9 -43.4 1.6 66.0 5.6 179 187 A A H 3X S+ 0 0 14 -4,-2.3 4,-0.7 1,-0.3 -1,-0.2 0.789 100.6 65.2 -63.6 -27.4 1.7 63.7 2.7 180 188 A A H 3< S+ 0 0 37 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.694 120.3 16.7 -70.0 -20.8 4.0 61.4 4.6 181 189 A V H X4 S+ 0 0 11 -3,-1.3 3,-0.6 -4,-0.5 -2,-0.2 0.615 109.5 77.4-123.5 -24.7 1.4 60.6 7.3 182 190 A L H 3< S+ 0 0 49 -4,-2.8 4,-0.3 1,-0.2 -3,-0.1 0.803 99.2 37.2 -60.0 -38.1 -1.9 61.6 5.7 183 191 A F T 3X S+ 0 0 32 -4,-0.7 4,-1.8 -5,-0.2 -1,-0.2 0.404 86.3 92.3-103.2 4.1 -2.5 58.7 3.3 184 192 A Q H <> S+ 0 0 129 -3,-0.6 4,-2.3 1,-0.2 5,-0.2 0.946 88.1 47.4 -63.1 -49.1 -1.2 55.6 5.2 185 193 A P H > S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.888 115.2 43.6 -60.6 -42.9 -4.6 54.6 6.8 186 194 A V H > S+ 0 0 76 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.855 115.0 50.3 -72.4 -33.4 -6.7 54.9 3.6 187 195 A L H X S+ 0 0 57 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.854 110.3 49.2 -72.0 -35.2 -4.0 53.1 1.6 188 196 A R H X S+ 0 0 151 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.919 112.4 49.0 -67.8 -43.5 -3.8 50.3 4.1 189 197 A A H X S+ 0 0 49 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.916 110.6 49.8 -61.4 -46.3 -7.6 50.0 4.0 190 198 A L H X S+ 0 0 104 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.901 113.2 46.7 -61.0 -42.2 -7.7 50.0 0.2 191 199 A H H X S+ 0 0 108 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.935 112.8 48.4 -66.7 -45.7 -5.0 47.3 0.0 192 200 A R H X S+ 0 0 143 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.887 114.3 46.4 -61.8 -39.0 -6.7 45.1 2.7 193 201 A L H X S+ 0 0 105 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.852 110.0 54.1 -72.0 -33.9 -10.1 45.5 0.9 194 202 A A H X S+ 0 0 58 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.902 109.0 48.3 -66.0 -40.8 -8.5 44.7 -2.4 195 203 A Q H X S+ 0 0 103 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.915 112.1 50.0 -64.6 -42.0 -7.0 41.5 -1.0 196 204 A E H X S+ 0 0 120 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.946 111.7 47.2 -61.6 -49.4 -10.4 40.6 0.4 197 205 A E H X S+ 0 0 97 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.939 116.6 43.5 -56.9 -49.9 -12.2 41.2 -2.9 198 206 A E H X S+ 0 0 71 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.875 111.6 53.5 -65.8 -38.0 -9.6 39.2 -4.8 199 207 A S H X>S+ 0 0 43 -4,-3.0 4,-2.5 -5,-0.2 5,-1.3 0.857 107.7 53.1 -64.2 -33.2 -9.6 36.5 -2.2 200 208 A A H <5S+ 0 0 33 -4,-2.1 4,-0.4 3,-0.2 5,-0.3 0.918 110.6 46.1 -67.1 -43.1 -13.3 36.3 -2.6 201 209 A R H <5S+ 0 0 178 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.932 121.8 35.3 -65.3 -46.9 -13.0 35.9 -6.4 202 210 A R H <5S+ 0 0 168 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.861 136.7 13.8 -77.8 -40.0 -10.3 33.2 -6.3 203 211 A Y T <5S- 0 0 176 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.729 104.9-109.3-111.1 -30.0 -11.2 31.2 -3.1 204 212 A G < - 0 0 51 -5,-1.3 2,-0.4 -4,-0.4 -3,-0.1 0.476 28.6-166.5 101.8 119.8 -14.7 32.2 -2.2 205 213 A I + 0 0 100 -5,-0.3 2,-0.3 -8,-0.1 -1,-0.1 -0.992 14.5 169.8-138.7 126.5 -16.2 34.2 0.7 206 214 A E - 0 0 184 -2,-0.4 2,-0.2 0, 0.0 0, 0.0 -0.946 32.9-120.6-134.8 156.9 -19.9 34.3 1.6 207 215 A L 0 0 163 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.642 360.0 360.0 -89.7 153.7 -22.0 35.6 4.5 208 216 A E 0 0 251 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.290 360.0 360.0 -67.1 360.0 -24.0 32.9 6.2