==== 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 28-FEB-06 2G7G . COMPND 2 MOLECULE: RHA04620, PUTATIVE TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; . AUTHOR Y.KIM,A.JOACHIMIAK,E.EVDOKIMOVA,O.KAGAN,A.SAVCHENKO,A.M.EDWA . 197 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 75.6 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 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 58.9 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 2 0 1 1 0 0 0 0 0 1 1 0 2 0 0 0 0 0 1 1 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 9 A L 0 0 82 0, 0.0 2,-0.2 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 97.3 4.8 19.1 23.3 2 10 A D > - 0 0 76 1,-0.0 4,-1.6 37,-0.0 5,-0.2 -0.717 360.0 -84.6-130.3-173.6 6.3 22.6 23.3 3 11 A R H > S+ 0 0 119 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.895 125.7 55.6 -63.9 -41.1 8.1 24.6 20.7 4 12 A E H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 108.1 47.5 -59.0 -43.5 11.5 23.0 21.6 5 13 A R H > S+ 0 0 154 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.810 112.8 49.2 -69.6 -31.5 10.1 19.4 21.0 6 14 A I H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.938 111.0 49.9 -67.6 -48.4 8.5 20.6 17.6 7 15 A A H X S+ 0 0 3 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.901 111.3 50.9 -56.6 -43.2 11.8 22.2 16.6 8 16 A E H X S+ 0 0 62 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.915 112.5 42.3 -57.5 -55.4 13.7 18.9 17.5 9 17 A A H X S+ 0 0 7 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.862 113.7 53.4 -65.6 -37.7 11.5 16.5 15.5 10 18 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.941 109.1 47.9 -65.0 -45.4 11.3 18.9 12.5 11 19 A L H X S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.825 107.8 56.8 -63.7 -35.3 15.1 19.2 12.3 12 20 A E H X S+ 0 0 118 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.896 110.3 44.1 -59.0 -45.6 15.4 15.4 12.5 13 21 A L H X S+ 0 0 4 -4,-1.9 4,-3.0 2,-0.2 6,-0.4 0.932 113.6 49.7 -66.6 -43.6 13.1 15.1 9.5 14 22 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.916 107.5 56.0 -61.2 -39.8 15.0 17.8 7.7 15 23 A D H < S+ 0 0 58 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.874 115.3 38.6 -57.0 -40.3 18.3 16.0 8.5 16 24 A R H < S+ 0 0 146 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.924 135.2 14.4 -77.6 -47.0 17.0 12.9 6.9 17 25 A D H < S- 0 0 94 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.2 0.522 92.2-115.2-113.6 -11.4 15.2 14.3 3.8 18 26 A G S < S+ 0 0 10 -4,-2.9 74,-0.3 -5,-0.4 2,-0.3 0.365 94.5 30.9 87.7 -8.4 16.1 18.0 3.3 19 27 A D S S- 0 0 52 -6,-0.4 -2,-0.3 -5,-0.1 2,-0.3 -0.935 71.3-138.2-162.8 175.1 12.6 19.1 4.0 20 28 A F - 0 0 8 -2,-0.3 2,-0.4 -3,-0.1 -10,-0.0 -0.955 7.3-139.8-140.0 157.5 9.5 18.1 6.1 21 29 A R >> - 0 0 198 -2,-0.3 4,-2.4 1,-0.1 3,-0.6 -0.983 24.7-123.5-119.6 137.4 5.8 17.9 5.7 22 30 A X H 3> S+ 0 0 17 -2,-0.4 4,-2.4 1,-0.2 5,-0.1 0.838 108.5 48.2 -45.7 -51.8 3.4 19.0 8.4 23 31 A P H 3> S+ 0 0 71 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.851 112.8 49.0 -60.8 -36.9 1.4 15.7 8.7 24 32 A D H <> S+ 0 0 42 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.880 110.3 51.0 -70.0 -37.7 4.6 13.6 8.8 25 33 A L H X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.923 110.5 49.5 -60.9 -44.6 6.0 15.9 11.5 26 34 A A H ><>S+ 0 0 3 -4,-2.4 5,-2.7 1,-0.2 3,-0.8 0.900 108.7 53.3 -61.4 -43.8 2.7 15.4 13.5 27 35 A R H ><5S+ 0 0 169 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.920 107.0 50.8 -55.7 -47.5 3.0 11.6 13.0 28 36 A H H 3<5S+ 0 0 98 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.594 113.7 45.7 -71.2 -11.7 6.6 11.6 14.4 29 37 A L T <<5S- 0 0 18 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.300 111.5-122.7-102.8 3.9 5.3 13.6 17.4 30 38 A N T < 5S+ 0 0 153 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.894 76.0 104.9 47.4 49.7 2.3 11.3 17.8 31 39 A V S > - 0 0 148 -2,-0.2 3,-2.0 1,-0.1 4,-1.1 -0.757 38.2-112.8 -95.8 154.2 -2.5 15.9 15.1 33 41 A V H >> S+ 0 0 37 -2,-0.3 4,-2.2 1,-0.3 3,-0.6 0.884 116.7 69.4 -52.7 -40.5 -1.3 18.9 13.0 34 42 A S H 3> S+ 0 0 76 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.837 94.4 52.7 -35.9 -48.8 -3.8 20.9 15.1 35 43 A S H X4 S+ 0 0 47 -3,-2.0 3,-0.5 1,-0.2 4,-0.4 0.885 107.8 51.1 -67.9 -37.1 -1.6 20.4 18.1 36 44 A I H XX S+ 0 0 0 -4,-1.1 3,-2.3 -3,-0.6 4,-1.9 0.943 103.1 59.3 -60.9 -46.7 1.4 21.8 16.3 37 45 A Y H 3< S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.698 95.7 64.0 -60.3 -22.4 -0.5 24.9 15.1 38 46 A H T << S+ 0 0 153 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.689 114.8 30.5 -74.1 -20.3 -1.2 25.8 18.8 39 47 A H T <4 S+ 0 0 71 -3,-2.3 2,-0.3 -4,-0.4 -2,-0.2 0.660 137.7 16.0-105.1 -23.5 2.6 26.3 19.3 40 48 A A S < S- 0 0 2 -4,-1.9 2,-1.2 -34,-0.0 -1,-0.3 -0.836 76.5-133.4-158.4 107.7 3.6 27.4 15.9 41 49 A K > - 0 0 180 -2,-0.3 4,-0.6 -3,-0.1 3,-0.2 -0.500 65.2 -33.5 -79.9 96.5 1.2 28.6 13.3 42 50 A G H > S- 0 0 17 -2,-1.2 4,-1.7 1,-0.2 3,-0.2 -0.054 86.3 -56.8 93.6 172.3 1.9 27.0 10.0 43 51 A R H > S+ 0 0 83 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.855 127.2 57.9 -55.0 -45.0 4.9 25.7 8.1 44 52 A A H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 106.9 49.7 -58.6 -42.9 6.8 29.1 8.1 45 53 A A H X S+ 0 0 27 -4,-0.6 4,-1.6 -3,-0.2 -1,-0.2 0.891 111.1 48.7 -62.9 -42.0 6.7 29.1 11.9 46 54 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.905 108.5 54.0 -67.8 -39.3 8.0 25.5 12.1 47 55 A V H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.913 108.1 50.1 -57.6 -43.1 10.8 26.4 9.6 48 56 A E H X S+ 0 0 18 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.857 107.9 53.1 -65.1 -32.0 11.9 29.3 11.8 49 57 A L H X S+ 0 0 8 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.892 109.5 49.1 -67.7 -40.0 11.9 26.9 14.8 50 58 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.947 111.3 49.2 -59.0 -49.7 14.2 24.6 12.8 51 59 A R H X S+ 0 0 12 -4,-2.7 4,-2.7 1,-0.2 3,-0.3 0.950 109.7 52.5 -55.7 -48.5 16.4 27.6 12.0 52 60 A H H X S+ 0 0 46 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.903 108.5 49.7 -53.9 -48.3 16.4 28.6 15.7 53 61 A R H < S+ 0 0 92 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.831 113.8 45.6 -63.9 -34.0 17.6 25.1 16.7 54 62 A V H < S+ 0 0 4 -4,-2.1 3,-0.5 -3,-0.3 -2,-0.2 0.905 117.7 41.0 -73.3 -43.1 20.4 25.1 14.2 55 63 A V H >< S+ 0 0 15 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.310 79.4 107.2 -95.3 9.3 21.7 28.6 14.9 56 64 A R T 3< S+ 0 0 175 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.1 0.853 79.2 53.4 -55.4 -39.1 21.5 28.6 18.7 57 65 A E T 3 S+ 0 0 74 -3,-0.5 2,-0.6 -4,-0.2 -1,-0.3 0.617 83.8 101.6 -71.6 -14.9 25.3 28.3 19.1 58 66 A I < - 0 0 13 -3,-1.6 2,-0.6 20,-0.1 17,-0.1 -0.632 58.2-160.4 -80.3 116.9 26.0 31.3 16.9 59 67 A D + 0 0 73 -2,-0.6 3,-0.3 1,-0.1 19,-0.1 -0.898 18.4 175.0 -99.9 115.4 26.8 34.3 19.0 60 68 A G > + 0 0 2 -2,-0.6 3,-2.1 1,-0.2 4,-0.2 0.650 69.4 82.2 -83.7 -19.9 26.5 37.7 17.2 61 69 A S G > + 0 0 28 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.604 67.3 83.2 -69.4 -7.2 27.2 39.6 20.4 62 70 A A G >> S+ 0 0 7 -3,-0.3 3,-1.8 1,-0.3 4,-1.6 0.830 79.0 69.3 -60.4 -30.4 30.9 39.1 19.8 63 71 A F G <4 S+ 0 0 16 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.765 96.3 53.3 -56.3 -25.6 30.5 42.1 17.5 64 72 A E G <4 S+ 0 0 154 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.558 116.0 37.4 -81.6 -9.2 29.9 44.1 20.8 65 73 A R T <4 S+ 0 0 149 -3,-1.8 -2,-0.2 -4,-0.3 -1,-0.1 0.568 113.5 41.3-121.3 -16.1 33.2 42.9 22.4 66 74 A L S < S- 0 0 66 -4,-1.6 -1,-0.1 2,-0.0 5,-0.0 -0.926 91.1 -83.0-136.0 156.7 35.8 42.7 19.7 67 75 A P >> - 0 0 69 0, 0.0 4,-2.6 0, 0.0 3,-0.5 -0.276 56.6-100.7 -55.8 151.6 37.0 44.7 16.7 68 76 A W H 3> S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.762 119.7 48.2 -51.4 -36.2 34.9 43.9 13.6 69 77 A D H 3> S+ 0 0 43 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.885 113.1 45.6 -80.3 -37.3 37.3 41.5 12.0 70 78 A E H <> S+ 0 0 108 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.886 116.3 47.6 -62.8 -43.8 38.0 39.5 15.1 71 79 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.882 109.8 53.1 -63.7 -42.0 34.2 39.3 15.8 72 80 A F H X S+ 0 0 2 -4,-2.1 4,-3.2 -5,-0.3 -2,-0.2 0.926 108.9 49.9 -59.2 -45.1 33.6 38.4 12.2 73 81 A S H X S+ 0 0 19 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.924 112.6 45.3 -63.2 -43.8 36.0 35.5 12.5 74 82 A E H X S+ 0 0 102 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.918 116.5 46.2 -62.0 -48.0 34.4 34.2 15.8 75 83 A W H X S+ 0 0 5 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.907 111.8 51.7 -57.7 -48.7 30.9 34.6 14.3 76 84 A A H X S+ 0 0 0 -4,-3.2 4,-2.8 -5,-0.2 -2,-0.2 0.899 109.8 49.1 -57.5 -44.4 32.0 32.9 11.0 77 85 A R H X S+ 0 0 84 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.880 112.0 47.5 -63.3 -43.8 33.5 29.9 12.9 78 86 A S H X S+ 0 0 29 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.826 112.5 50.9 -60.6 -39.8 30.4 29.4 15.0 79 87 A Y H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.928 111.1 47.0 -68.9 -48.7 28.2 29.7 11.9 80 88 A R H X S+ 0 0 36 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.936 113.6 48.6 -51.5 -51.9 30.3 27.1 10.0 81 89 A A H X S+ 0 0 29 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.927 111.4 50.0 -60.2 -47.5 30.2 24.7 13.0 82 90 A A H >< S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.2 4,-0.5 0.935 117.0 38.7 -54.9 -52.4 26.4 25.1 13.4 83 91 A F H >< S+ 0 0 8 -4,-2.3 3,-1.1 1,-0.2 6,-0.2 0.834 106.7 64.7 -74.8 -29.7 25.6 24.4 9.8 84 92 A S H 3< S+ 0 0 35 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.743 97.7 57.3 -66.8 -18.1 28.2 21.7 9.4 85 93 A R T << S+ 0 0 141 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.719 118.0 32.6 -78.1 -22.6 26.3 19.6 11.9 86 94 A H X + 0 0 35 -3,-1.1 3,-2.0 -4,-0.5 4,-0.4 -0.410 67.4 156.9-131.0 62.3 23.2 19.8 9.8 87 95 A P G > S+ 0 0 41 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.767 74.1 60.0 -61.8 -24.6 24.3 19.9 6.1 88 96 A T G 3 S+ 0 0 64 1,-0.2 4,-0.4 2,-0.1 3,-0.1 0.659 100.6 56.8 -78.9 -11.5 21.0 18.5 4.9 89 97 A A G <> S+ 0 0 0 -3,-2.0 4,-2.4 -6,-0.2 -1,-0.2 0.545 84.0 86.3 -89.6 -7.6 19.2 21.6 6.4 90 98 A I H <> S+ 0 0 12 -3,-0.9 4,-2.6 -4,-0.4 5,-0.2 0.931 85.1 50.6 -65.3 -48.7 21.3 24.1 4.5 91 99 A R H > S+ 0 0 127 -4,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.939 114.1 44.8 -53.1 -54.1 19.2 24.2 1.3 92 100 A L H >4 S+ 0 0 0 -4,-0.4 3,-0.9 -74,-0.3 -1,-0.2 0.932 116.9 43.9 -57.3 -49.0 16.0 24.8 3.2 93 101 A L H >< S+ 0 0 8 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.820 111.1 53.7 -74.2 -26.1 17.3 27.4 5.5 94 102 A A H 3< S+ 0 0 60 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.614 113.6 44.5 -77.8 -12.4 19.2 29.3 2.8 95 103 A T T << S+ 0 0 88 -3,-0.9 2,-0.4 -4,-0.8 -1,-0.2 0.123 97.2 79.2-123.9 18.2 16.0 29.6 0.7 96 104 A E S < S- 0 0 77 -3,-0.6 0, 0.0 -4,-0.2 0, 0.0 -0.997 87.9-103.4-125.5 131.7 13.4 30.6 3.3 97 105 A T - 0 0 90 -2,-0.4 2,-0.5 1,-0.1 -2,-0.1 -0.232 37.8-116.8 -49.1 130.6 13.1 34.2 4.6 98 106 A V + 0 0 39 1,-0.2 -1,-0.1 -4,-0.1 -50,-0.0 -0.648 54.5 141.9 -77.9 121.9 14.5 34.8 8.1 99 107 A R + 0 0 153 -2,-0.5 -1,-0.2 -55,-0.1 -2,-0.0 0.407 28.1 124.2-130.0 -12.5 12.0 35.8 10.8 100 108 A D > - 0 0 12 1,-0.1 4,-2.6 2,-0.1 5,-0.2 -0.371 59.4-140.0 -53.5 122.3 13.2 33.9 13.8 101 109 A P H > S+ 0 0 98 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.894 101.6 54.0 -53.3 -46.8 13.8 36.5 16.6 102 110 A G H > S+ 0 0 35 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.910 112.5 43.8 -55.0 -46.7 17.1 34.8 17.8 103 111 A S H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 110.2 54.4 -63.4 -45.9 18.4 34.9 14.2 104 112 A L H X S+ 0 0 70 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.876 104.5 56.7 -56.6 -40.4 17.3 38.5 13.6 105 113 A S H X S+ 0 0 63 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.890 104.8 50.4 -55.7 -43.3 19.2 39.4 16.8 106 114 A V H X S+ 0 0 24 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.928 111.9 48.6 -62.1 -44.1 22.5 38.0 15.3 107 115 A Y H X S+ 0 0 57 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.891 108.1 54.2 -60.1 -45.1 21.8 40.1 12.2 108 116 A H H X S+ 0 0 142 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.924 111.7 46.1 -51.3 -50.3 21.2 43.1 14.4 109 117 A S H X S+ 0 0 15 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.880 113.6 45.7 -63.1 -46.7 24.6 42.6 16.1 110 118 A A H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.909 113.7 50.5 -65.3 -43.5 26.6 42.0 12.9 111 119 A A H X S+ 0 0 28 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.954 113.5 44.8 -58.7 -49.3 24.9 45.1 11.2 112 120 A A H X S+ 0 0 67 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.893 113.1 51.9 -63.9 -38.0 25.7 47.3 14.2 113 121 A G H X S+ 0 0 15 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.941 112.5 44.4 -64.4 -42.5 29.3 45.9 14.4 114 122 A L H X>S+ 0 0 0 -4,-2.6 5,-2.1 2,-0.2 4,-0.9 0.870 112.5 51.0 -74.1 -34.9 29.9 46.6 10.7 115 123 A R H ><5S+ 0 0 156 -4,-2.5 3,-0.8 -5,-0.2 -1,-0.2 0.921 108.4 54.2 -60.7 -43.6 28.3 50.1 10.9 116 124 A G H 3<5S+ 0 0 70 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.796 105.2 53.6 -61.4 -30.5 30.6 50.8 13.9 117 125 A A H 3<5S- 0 0 32 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.706 125.1-100.4 -77.7 -24.2 33.6 49.8 11.8 118 126 A G T <<5 + 0 0 43 -4,-0.9 -3,-0.2 -3,-0.8 -2,-0.1 0.491 68.5 148.5 115.5 4.9 32.7 52.3 9.0 119 127 A F < - 0 0 3 -5,-2.1 -1,-0.3 1,-0.1 5,-0.1 -0.558 53.9-114.2 -67.6 130.7 31.0 50.1 6.4 120 128 A P >> - 0 0 39 0, 0.0 3,-2.3 0, 0.0 4,-1.0 -0.380 21.6-114.0 -71.3 153.5 28.4 52.3 4.7 121 129 A D H >> S+ 0 0 98 1,-0.3 4,-0.6 2,-0.2 3,-0.5 0.833 114.1 58.6 -55.6 -38.6 24.7 51.4 5.2 122 130 A D H 34 S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.535 111.0 44.0 -73.0 -4.5 24.1 50.5 1.6 123 131 A H H <> S+ 0 0 79 -3,-2.3 4,-2.2 2,-0.1 -1,-0.2 0.614 90.5 85.0-107.0 -19.2 27.0 47.9 1.8 124 132 A I H S+ 0 0 65 2,-0.2 4,-3.1 -3,-0.2 -1,-0.2 0.875 108.9 52.7 -67.8 -40.0 25.8 42.5 1.1 127 135 A V H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.946 113.6 43.3 -57.1 -51.5 28.9 42.1 3.3 128 136 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.917 116.9 46.2 -63.3 -45.0 26.9 39.9 5.7 129 137 A T H X S+ 0 0 62 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.900 109.6 54.0 -67.8 -37.8 25.3 37.9 2.8 130 138 A A H X S+ 0 0 37 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.949 111.4 46.6 -59.3 -48.2 28.7 37.5 1.0 131 139 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.923 111.9 50.1 -58.2 -49.3 30.1 36.0 4.2 132 140 A E H X S+ 0 0 25 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.885 105.9 56.3 -59.0 -40.3 27.1 33.7 4.7 133 141 A N H X S+ 0 0 108 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.938 112.1 43.0 -53.0 -52.6 27.4 32.5 1.1 134 142 A F H X S+ 0 0 60 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.902 113.9 51.4 -59.5 -43.5 31.0 31.4 1.8 135 143 A L H X S+ 0 0 2 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.818 107.3 50.6 -70.5 -34.9 30.1 29.9 5.2 136 144 A L H X S+ 0 0 24 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.911 112.7 48.5 -66.6 -42.3 27.2 27.8 3.9 137 145 A G H X S+ 0 0 39 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.891 111.1 49.6 -58.9 -41.2 29.6 26.4 1.2 138 146 A A H X S+ 0 0 10 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.844 106.6 56.7 -71.6 -31.6 32.3 25.8 3.8 139 147 A A H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.930 108.4 46.7 -63.5 -44.6 29.7 24.0 6.0 140 148 A L H >X S+ 0 0 88 -4,-2.0 4,-0.7 1,-0.2 3,-0.7 0.938 110.8 52.7 -57.7 -48.2 29.0 21.6 3.1 141 149 A D H 3< S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.792 105.0 54.7 -62.0 -28.6 32.8 21.1 2.5 142 150 A A H 3< S+ 0 0 41 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.776 110.4 46.6 -75.1 -27.9 33.3 20.2 6.2 143 151 A A H << S+ 0 0 53 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.524 99.6 95.6 -86.0 -6.8 30.6 17.5 5.8 144 152 A A S < S- 0 0 29 -4,-0.7 30,-0.1 -3,-0.2 4,-0.1 -0.366 90.4 -80.7 -80.6 163.6 32.2 16.3 2.5 145 153 A P - 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.214 38.3-118.9 -53.8 152.3 34.8 13.4 2.1 146 154 A E S S+ 0 0 108 1,-0.2 2,-0.6 -3,-0.1 24,-0.1 0.768 109.3 53.0 -71.0 -26.7 38.3 14.3 3.0 147 155 A V + 0 0 99 1,-0.1 -1,-0.2 22,-0.1 3,-0.1 -0.955 64.7 164.1-106.8 113.6 39.3 13.5 -0.6 148 156 A X + 0 0 101 -2,-0.6 2,-0.4 1,-0.2 -1,-0.1 0.577 63.0 46.9-106.2 -14.0 37.0 15.5 -2.9 149 157 A I - 0 0 99 15,-0.1 2,-0.5 2,-0.0 -1,-0.2 -0.992 59.5-177.4-132.8 121.7 38.9 15.3 -6.2 150 158 A E - 0 0 184 -2,-0.4 2,-0.4 -3,-0.1 -3,-0.0 -0.968 11.0-167.7-119.6 112.7 40.3 12.1 -7.5 151 159 A A - 0 0 49 -2,-0.5 2,-0.7 9,-0.0 -2,-0.0 -0.831 14.1-153.6-103.1 138.5 42.2 12.4 -10.8 152 160 A D + 0 0 170 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.832 40.6 142.3-109.8 91.7 43.3 9.5 -13.0 153 161 A S - 0 0 66 -2,-0.7 -2,-0.0 2,-0.1 0, 0.0 -0.844 51.6-151.9-126.3 160.6 46.4 10.7 -14.9 154 162 A T S S+ 0 0 140 -2,-0.3 2,-0.2 0, 0.0 -1,-0.1 0.499 75.4 98.5-102.5 -10.0 49.7 9.4 -16.1 155 163 A T - 0 0 78 1,-0.1 -2,-0.1 2,-0.0 6,-0.0 -0.521 46.6-178.8 -81.5 146.9 51.2 12.9 -15.8 156 164 A T S S+ 0 0 99 -2,-0.2 -1,-0.1 5,-0.1 -3,-0.0 0.595 77.6 47.2-120.4 -25.2 53.3 13.8 -12.7 157 165 A D S S+ 0 0 107 4,-0.1 -2,-0.0 5,-0.0 -1,-0.0 0.388 80.2 118.0-106.8 1.3 54.3 17.4 -13.3 158 166 A D S > S- 0 0 50 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.243 75.5-109.3 -71.1 164.5 50.9 18.9 -14.4 159 167 A A H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.838 114.0 47.4 -68.6 -35.8 49.3 21.7 -12.3 160 168 A L H > S+ 0 0 85 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.970 112.6 47.9 -72.0 -53.9 46.4 19.7 -10.9 161 169 A T H > S+ 0 0 39 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.935 115.3 47.2 -43.6 -54.9 48.6 16.7 -9.9 162 170 A R H X S+ 0 0 151 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.905 113.0 47.2 -60.0 -43.3 51.1 19.0 -8.2 163 171 A A H X S+ 0 0 61 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.924 112.6 49.1 -66.8 -41.7 48.5 21.1 -6.4 164 172 A L H < S+ 0 0 71 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.781 112.1 49.4 -67.1 -28.9 46.6 18.0 -5.1 165 173 A A H < S+ 0 0 83 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.788 111.8 47.9 -78.6 -30.8 50.0 16.5 -3.9 166 174 A A H < S+ 0 0 88 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.494 95.6 96.5 -91.2 -3.2 51.0 19.7 -2.1 167 175 A A S < S- 0 0 43 -4,-0.7 6,-0.1 -3,-0.1 5,-0.1 -0.501 84.3 -88.0 -87.0 153.3 47.6 20.2 -0.3 168 176 A P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.194 41.7-140.3 -55.7 149.0 46.5 19.1 3.3 169 177 A R > + 0 0 226 3,-0.1 3,-1.0 4,-0.1 -22,-0.1 -0.751 58.3 7.0-113.3 156.2 45.1 15.6 3.8 170 178 A G T > S- 0 0 8 -2,-0.3 3,-1.3 1,-0.2 4,-0.5 -0.476 129.3 -17.4 77.3-146.8 42.2 14.4 6.0 171 179 A P T 3> S+ 0 0 85 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.674 128.5 75.5 -64.3 -20.6 40.0 16.9 7.9 172 180 A E H <> S+ 0 0 116 -3,-1.0 4,-2.8 1,-0.2 5,-0.2 0.723 82.1 68.5 -64.4 -25.9 42.8 19.4 7.3 173 181 A R H <> S+ 0 0 51 -3,-1.3 4,-1.7 2,-0.2 5,-0.2 0.983 106.5 35.4 -59.8 -59.4 41.7 19.7 3.6 174 182 A A H > S+ 0 0 9 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.880 117.1 56.0 -62.8 -38.4 38.4 21.5 4.2 175 183 A E H X S+ 0 0 97 -4,-1.6 4,-2.8 1,-0.2 5,-0.2 0.908 105.3 51.6 -59.5 -44.4 40.0 23.4 7.2 176 184 A Q H X S+ 0 0 95 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.909 112.2 45.1 -57.8 -46.7 42.7 24.8 4.9 177 185 A A H X S+ 0 0 51 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.881 113.3 51.0 -66.9 -38.8 40.2 26.1 2.3 178 186 A F H X S+ 0 0 5 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.965 113.5 44.2 -63.9 -50.7 38.0 27.5 5.1 179 187 A E H X S+ 0 0 84 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.891 115.6 46.6 -61.5 -43.7 40.9 29.4 6.8 180 188 A L H X S+ 0 0 115 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.934 114.6 47.2 -66.6 -43.3 42.3 30.7 3.5 181 189 A G H X S+ 0 0 16 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.863 111.6 51.1 -65.4 -39.5 38.9 31.8 2.2 182 190 A L H X S+ 0 0 5 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.933 112.6 45.6 -62.3 -45.6 38.1 33.5 5.5 183 191 A A H X S+ 0 0 60 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.887 112.8 51.1 -66.3 -36.1 41.4 35.4 5.5 184 192 A A H X S+ 0 0 56 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.927 110.6 48.2 -68.8 -40.9 40.9 36.4 1.9 185 193 A L H X S+ 0 0 47 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.916 111.5 49.8 -63.6 -43.9 37.4 37.7 2.5 186 194 A L H X S+ 0 0 23 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.876 110.2 50.7 -63.9 -39.9 38.5 39.7 5.5 187 195 A A H X S+ 0 0 63 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.910 111.8 48.9 -60.9 -42.4 41.4 41.2 3.5 188 196 A G H X S+ 0 0 39 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.921 111.6 48.0 -64.3 -43.8 38.8 42.1 0.8 189 197 A F H X S+ 0 0 20 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.847 108.6 54.0 -65.4 -37.4 36.5 43.7 3.4 190 198 A H H X S+ 0 0 66 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.859 108.0 51.7 -59.2 -39.6 39.4 45.6 4.9 191 199 A H H X S+ 0 0 99 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.931 105.4 54.5 -63.7 -47.8 40.1 46.9 1.3 192 200 A L H X S+ 0 0 30 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.870 109.3 49.3 -47.8 -41.9 36.4 48.0 1.0 193 201 A L H < S+ 0 0 28 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.837 107.2 52.1 -73.6 -37.0 36.9 50.0 4.2 194 202 A Q H >< S+ 0 0 132 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.892 108.0 53.4 -62.7 -44.6 40.1 51.7 3.1 195 203 A E H 3< S+ 0 0 138 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.765 104.3 56.8 -57.9 -30.7 38.3 52.8 -0.1 196 204 A C T 3< 0 0 67 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.411 360.0 360.0 -85.0 1.3 35.5 54.3 2.1 197 205 A G < 0 0 104 -3,-1.4 -3,-0.2 -4,-0.1 -2,-0.2 0.862 360.0 360.0 92.9 360.0 38.0 56.6 4.0