==== 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 16-MAR-07 2P5T . COMPND 2 MOLECULE: FRAGMENT OF PEZA HELIX-TURN-HELIX MOTIF; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR B.LOLL,A.MEINHART . 1379 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1054 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 1.6 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 . 4 0.3 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 . 55 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 162 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 686 49.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.1 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 2 0 7 3 3 4 6 1 6 3 1 0 0 2 2 1 0 1 1 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 0 6 2 4 3 1 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 4 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 4 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 X X > 0 0 118 0, 0.0 4,-0.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 167.7 58.2 -15.8 22.0 2 2 X X H > + 0 0 67 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.559 360.0 66.7 -85.2 -11.3 60.0 -18.8 20.4 3 3 X X H > S+ 0 0 38 2,-0.2 4,-1.0 3,-0.2 -1,-0.2 0.900 102.9 42.3 -74.6 -45.9 57.5 -18.9 17.6 4 4 X X H > S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.812 119.3 45.6 -68.6 -33.9 58.5 -15.6 16.1 5 5 X X H X S+ 0 0 53 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.816 113.4 48.5 -78.2 -36.2 62.2 -16.5 16.6 6 6 X X H < S+ 0 0 57 -4,-1.7 4,-0.5 2,-0.2 -2,-0.2 0.708 117.6 44.7 -69.2 -24.1 61.6 -20.0 15.2 7 7 X X H X S+ 0 0 45 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.739 112.6 48.8 -90.1 -30.3 59.8 -18.2 12.3 8 8 X X H X S+ 0 0 45 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.855 112.6 47.9 -75.1 -39.0 62.4 -15.5 11.8 9 9 X X H X S+ 0 0 59 -4,-1.9 4,-1.2 2,-0.2 5,-0.2 0.770 118.1 41.4 -71.7 -29.7 65.3 -18.0 11.7 10 10 X X H 4 S+ 0 0 31 -4,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.776 110.9 56.9 -83.8 -32.8 63.3 -20.2 9.3 11 11 X X H < S+ 0 0 26 -4,-1.5 -2,-0.2 1,-0.1 -3,-0.2 0.717 107.0 53.1 -68.2 -24.5 62.2 -17.1 7.3 12 12 X X H < S+ 0 0 36 -4,-1.0 -2,-0.2 3,-0.1 -3,-0.1 0.985 123.7 15.0 -69.8 -75.3 65.9 -16.2 6.9 13 13 X X S < S+ 0 0 37 -4,-1.2 -3,-0.1 -5,-0.1 -2,-0.1 0.984 124.8 11.8 -65.3 -86.4 67.3 -19.4 5.4 14 14 X X S S- 0 0 44 -5,-0.2 5,-0.1 1,-0.1 2,-0.1 0.512 71.9-113.6 -79.1-144.1 64.6 -21.8 4.1 15 15 X X - 0 0 44 1,-0.1 -1,-0.1 1221,-0.0 -3,-0.1 0.011 38.0 -69.4-129.4-129.4 60.9 -21.6 3.4 16 16 X X S > S+ 0 0 45 3,-0.1 4,-0.9 1220,-0.1 5,-0.1 0.785 110.0 12.7-107.9 -91.8 57.5 -23.0 4.7 17 17 X X T >4 S+ 0 0 42 1,-0.2 3,-0.7 2,-0.2 9,-0.2 0.916 137.5 43.4 -57.4 -46.8 56.5 -26.6 4.2 18 18 X X G >> S+ 0 0 65 1,-0.2 3,-1.0 2,-0.2 4,-0.9 0.712 101.2 72.6 -68.1 -23.7 60.0 -27.5 3.2 19 19 X X G 34 S+ 0 0 46 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.752 105.1 36.9 -64.4 -29.2 61.2 -25.3 6.1 20 20 X X G XX>S+ 0 0 28 -4,-0.9 4,-3.5 -3,-0.7 5,-0.9 0.274 98.3 91.3 -96.5 4.3 60.0 -28.0 8.5 21 21 X X T <45S+ 0 0 51 -3,-1.0 -2,-0.2 1,-0.3 -3,-0.1 0.941 83.1 49.5 -64.4 -52.4 61.3 -30.5 5.9 22 22 X X T 3<5S+ 0 0 92 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.520 119.8 43.7 -62.1 -5.0 64.8 -30.8 7.4 23 23 X X T <45S- 0 0 69 -3,-0.6 -2,-0.2 -5,-0.1 -1,-0.2 0.788 92.2-140.4-107.8 -47.6 62.8 -31.3 10.6 24 24 X X T <5 + 0 0 66 -4,-3.5 -3,-0.2 2,-0.1 3,-0.1 0.655 57.4 131.7 91.2 19.2 60.0 -33.7 9.9 25 25 X X < - 0 0 45 -5,-0.9 -4,-0.1 1,-0.2 2,-0.1 0.624 63.6-124.6 -77.6 -15.2 57.4 -31.9 12.1 26 26 X X > - 0 0 48 -6,-0.4 4,-1.2 3,-0.2 5,-0.5 -0.193 30.7 -69.0 91.1 171.9 54.7 -31.9 9.4 27 27 X X H > S+ 0 0 67 2,-0.2 4,-1.7 3,-0.2 3,-0.1 0.995 131.7 13.2 -62.8 -69.5 52.8 -29.0 7.9 28 28 X X H > S+ 0 0 65 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.847 122.6 67.6 -73.5 -36.7 50.6 -28.0 10.8 29 29 X X H 4 S+ 0 0 65 1,-0.2 4,-0.3 2,-0.2 -3,-0.2 0.789 114.5 27.7 -56.4 -35.1 52.7 -30.1 13.3 30 30 X X H >< S+ 0 0 38 -4,-1.2 3,-1.4 2,-0.1 -1,-0.2 0.861 115.7 60.3 -89.8 -48.5 55.7 -27.8 12.8 31 31 X X H 3< S+ 0 0 71 -4,-1.7 -2,-0.2 -5,-0.5 -3,-0.1 0.539 95.5 68.9 -58.4 -8.3 53.8 -24.6 11.9 32 32 X X T 3< 0 0 65 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.1 0.879 360.0 360.0 -76.1 -41.8 52.1 -24.9 15.3 33 33 X X < 0 0 88 -3,-1.4 -3,-0.1 -4,-0.3 -30,-0.1 0.566 360.0 360.0 -82.3 360.0 55.2 -24.1 17.4 34 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 35 67 A L 0 0 136 0, 0.0 64,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.9 61.4 -11.6 34.9 36 68 A N > - 0 0 73 0, 0.0 4,-3.2 0, 0.0 5,-0.3 -0.831 360.0 -85.1-121.0 165.2 63.6 -11.9 38.1 37 69 A P H > S+ 0 0 46 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.735 128.1 43.7 -37.6 -40.0 62.7 -11.5 41.8 38 70 A V H > S+ 0 0 16 2,-0.2 4,-2.8 3,-0.1 5,-0.2 0.935 115.8 45.7 -77.8 -48.0 63.1 -7.7 41.8 39 71 A E H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.940 113.3 52.7 -50.7 -51.5 61.2 -7.1 38.5 40 72 A D H X S+ 0 0 9 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.831 112.8 42.5 -58.8 -39.9 58.5 -9.5 39.7 41 73 A Y H X S+ 0 0 14 -4,-1.3 4,-2.3 -5,-0.3 -1,-0.2 0.881 109.7 56.3 -75.1 -39.6 58.1 -7.6 43.0 42 74 A E H X S+ 0 0 77 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.832 108.5 50.0 -61.1 -32.9 58.2 -4.3 41.2 43 75 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 3,-0.3 0.961 106.7 53.0 -63.5 -54.9 55.4 -5.6 39.2 44 76 A T H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.831 109.7 51.3 -47.9 -36.7 53.5 -6.7 42.4 45 77 A L H X S+ 0 0 38 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.888 109.6 46.7 -69.6 -42.2 54.0 -3.0 43.5 46 78 A K H X S+ 0 0 83 -4,-1.7 4,-2.9 -3,-0.3 -2,-0.2 0.905 110.7 53.9 -64.8 -41.8 52.6 -1.6 40.3 47 79 A I H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.892 111.3 46.9 -53.3 -44.4 49.7 -4.1 40.6 48 80 A E H X S+ 0 0 32 -4,-1.7 4,-2.6 -5,-0.3 5,-0.3 0.976 110.2 50.4 -63.6 -58.5 49.2 -2.7 44.1 49 81 A I H X S+ 0 0 63 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.898 114.1 46.4 -45.4 -51.3 49.4 1.0 43.0 50 82 A V H X S+ 0 0 8 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.929 109.9 52.4 -60.7 -48.9 46.8 0.3 40.3 51 83 A K H X S+ 0 0 22 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.937 113.6 43.9 -51.7 -51.9 44.5 -1.7 42.7 52 84 A E H X S+ 0 0 83 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.955 114.6 48.8 -56.8 -54.6 44.4 1.2 45.2 53 85 A R H X S+ 0 0 53 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.853 114.2 47.3 -55.8 -39.9 44.0 3.8 42.5 54 86 A G H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.933 108.9 51.8 -67.0 -50.2 41.2 1.8 41.0 55 87 A A H X S+ 0 0 17 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.879 107.4 55.6 -56.0 -40.1 39.4 1.2 44.3 56 88 A N H X S+ 0 0 58 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.925 111.0 43.6 -55.4 -48.0 39.6 5.0 44.8 57 89 A L H X S+ 0 0 2 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.839 110.5 54.5 -68.2 -38.3 37.8 5.6 41.5 58 90 A L H X S+ 0 0 8 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.921 107.4 50.5 -61.8 -45.3 35.2 2.9 42.0 59 91 A S H X S+ 0 0 5 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.863 112.2 48.2 -60.4 -36.5 34.2 4.5 45.3 60 92 A R H X S+ 0 0 57 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.871 109.0 53.0 -69.3 -40.6 33.9 7.8 43.5 61 93 A L H X S+ 0 0 0 -4,-2.7 4,-3.4 2,-0.2 -2,-0.2 0.935 109.4 48.9 -57.1 -47.9 31.8 6.1 40.8 62 94 A Y H X S+ 0 0 9 -4,-2.9 4,-2.0 2,-0.2 5,-0.2 0.884 109.7 52.9 -59.6 -39.4 29.5 4.7 43.5 63 95 A R H X S+ 0 0 65 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.943 114.0 42.2 -59.1 -48.2 29.4 8.3 44.9 64 96 A Y H < S+ 0 0 29 -4,-2.8 -2,-0.2 1,-0.2 6,-0.2 0.921 111.7 54.1 -65.3 -45.5 28.4 9.6 41.5 65 97 A Q H ><>S+ 0 0 1 -4,-3.4 5,-1.7 1,-0.2 3,-1.0 0.857 109.4 47.4 -59.6 -40.3 25.9 6.8 40.7 66 98 A D H ><5S+ 0 0 68 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.899 105.4 58.6 -67.5 -42.5 23.9 7.3 43.9 67 99 A S T 3<5S+ 0 0 62 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.376 110.9 45.0 -69.6 5.2 23.8 11.1 43.5 68 100 A Q T < 5S- 0 0 85 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.408 109.6-119.7-123.2 -7.2 22.0 10.3 40.1 69 101 A G T < 5 + 0 0 65 -3,-1.4 2,-0.5 -4,-0.4 -3,-0.2 0.569 52.9 164.0 75.0 10.8 19.6 7.6 41.4 70 102 A I < - 0 0 23 -5,-1.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.499 39.0-124.8 -65.8 113.0 21.2 5.1 39.0 71 103 A S > - 0 0 61 -2,-0.5 3,-1.2 -3,-0.1 6,-0.1 -0.234 20.2-116.5 -56.3 147.9 20.0 1.6 40.1 72 104 A I T 3 S+ 0 0 31 1,-0.3 -1,-0.1 3,-0.0 -2,-0.1 0.873 110.4 37.4 -62.8 -43.8 22.9 -0.8 40.8 73 105 A D T 3 S+ 0 0 95 1,-0.1 2,-3.3 2,-0.0 -1,-0.3 0.220 74.4 127.9 -96.4 13.4 22.2 -3.4 38.1 74 106 A D X + 0 0 58 -3,-1.2 3,-3.0 1,-0.2 6,-0.3 -0.346 33.0 174.3 -65.4 65.7 21.0 -0.8 35.5 75 107 A E T 3 + 0 0 96 -2,-3.3 -1,-0.2 1,-0.3 6,-0.1 0.641 68.8 68.1 -58.2 -17.0 23.5 -2.5 33.1 76 108 A S T 3 S+ 0 0 55 -3,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.736 81.0 91.7 -71.6 -26.8 22.2 -0.2 30.3 77 109 A N S X> S- 0 0 33 -3,-3.0 4,-1.9 -6,-0.1 3,-0.7 -0.616 76.6-139.4 -76.5 125.2 23.6 2.8 32.1 78 110 A P H 3> S+ 0 0 8 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.727 103.7 56.6 -54.7 -28.1 27.2 3.7 30.9 79 111 A W H 3> S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.882 104.9 50.9 -72.7 -39.5 28.2 4.5 34.5 80 112 A I H <> S+ 0 0 1 -3,-0.7 4,-2.6 -6,-0.3 5,-0.2 0.905 108.4 53.2 -61.6 -42.3 27.2 1.0 35.6 81 113 A L H X S+ 0 0 5 -4,-1.9 4,-3.0 -7,-0.2 -2,-0.2 0.935 110.0 47.1 -57.8 -47.7 29.3 -0.5 32.8 82 114 A M H X S+ 0 0 5 -4,-1.8 4,-2.2 2,-0.2 5,-0.3 0.911 113.6 47.0 -62.0 -45.3 32.4 1.4 33.9 83 115 A S H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.906 115.0 48.3 -62.4 -39.8 31.9 0.4 37.5 84 116 A D H X S+ 0 0 9 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.912 113.2 45.4 -67.9 -46.0 31.3 -3.2 36.5 85 117 A D H X S+ 0 0 19 -4,-3.0 4,-1.2 2,-0.2 3,-0.4 0.990 116.7 44.5 -58.9 -62.8 34.4 -3.4 34.2 86 118 A L H >X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 3,-0.7 0.874 111.3 54.8 -48.0 -48.4 36.7 -1.7 36.6 87 119 A S H 3X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.903 104.7 53.7 -52.3 -47.3 35.3 -3.9 39.5 88 120 A D H 3<>S+ 0 0 48 -4,-2.1 5,-1.5 -3,-0.4 4,-0.3 0.760 113.1 45.0 -60.1 -27.2 36.1 -7.0 37.4 89 121 A L H X<>S+ 0 0 3 -4,-1.2 5,-2.0 -3,-0.7 3,-1.3 0.964 113.0 45.3 -82.2 -60.0 39.7 -5.8 37.1 90 122 A I H 3<5S+ 0 0 9 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.839 119.4 44.5 -48.2 -39.6 40.4 -4.7 40.7 91 123 A H T 3<5S- 0 0 28 -4,-2.2 96,-0.4 -5,-0.3 -1,-0.3 0.591 139.7 -12.6 -87.7 -9.8 38.8 -7.9 42.1 92 124 A T T <>5S+ 0 0 17 -3,-1.3 4,-0.5 -4,-0.3 3,-0.5 0.438 118.7 60.4-150.4 -59.6 40.5 -10.3 39.6 93 125 A N T >44 S- 0 0 61 -56,-0.1 4,-1.1 1,-0.1 3,-0.2 -0.958 72.6-124.1-136.2 154.5 53.9 -7.6 32.2 100 132 A F H > S+ 0 0 66 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.676 110.2 61.4 -66.4 -20.2 54.6 -3.9 32.7 101 133 A D H > S+ 0 0 73 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 97.7 54.8 -72.5 -44.8 52.8 -3.1 29.5 102 134 A E H > S+ 0 0 53 -3,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.879 107.0 54.0 -54.6 -39.0 49.5 -4.5 30.6 103 135 A I H X S+ 0 0 3 -4,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.931 104.8 51.1 -61.6 -48.6 49.8 -2.2 33.6 104 136 A E H X S+ 0 0 44 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.849 110.8 51.4 -58.3 -33.6 50.3 0.9 31.4 105 137 A R H X S+ 0 0 80 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.929 111.1 45.1 -67.5 -48.4 47.2 -0.1 29.5 106 138 A Y H X S+ 0 0 49 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.836 112.5 54.8 -63.9 -32.2 45.1 -0.5 32.7 107 139 A S H X S+ 0 0 29 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.949 107.8 45.7 -68.5 -51.3 46.5 2.8 33.9 108 140 A G H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.665 110.5 57.3 -64.4 -18.2 45.5 4.8 30.8 109 141 A Y H X S+ 0 0 7 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.905 108.5 43.7 -75.1 -47.5 42.1 3.1 31.1 110 142 A L H X S+ 0 0 4 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.934 110.1 57.6 -58.0 -49.0 41.8 4.4 34.7 111 143 A D H X S+ 0 0 46 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.888 106.2 50.3 -42.4 -48.0 43.0 7.8 33.3 112 144 A G H X S+ 0 0 0 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.924 110.8 47.8 -61.1 -48.9 40.1 7.6 30.9 113 145 A I H >X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 3,-0.7 0.968 110.7 50.7 -54.4 -59.4 37.5 6.9 33.6 114 146 A E H 3X S+ 0 0 56 -4,-2.9 4,-3.2 1,-0.3 5,-0.2 0.847 106.1 55.8 -49.2 -44.3 38.8 9.7 35.9 115 147 A R H 3X S+ 0 0 58 -4,-2.0 4,-1.2 -5,-0.3 -1,-0.3 0.891 112.9 41.5 -58.9 -42.4 38.6 12.3 33.1 116 148 A M H > - 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0 0 24 1,-0.1 4,-1.7 2,-0.0 5,-0.2 -0.395 27.2-139.0 -64.0 135.0 56.7 -25.7 62.6 339 220 B A H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.861 104.7 56.4 -59.5 -38.6 55.4 -22.8 60.5 340 221 B A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 105.0 50.7 -60.1 -42.2 56.4 -20.4 63.2 341 222 B D H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.911 106.7 53.3 -65.2 -44.8 60.0 -21.6 63.2 342 223 B V H X S+ 0 0 23 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.836 107.6 54.4 -58.5 -34.2 60.3 -21.2 59.5 343 224 B L H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.955 105.1 51.5 -63.3 -51.6 59.1 -17.6 60.0 344 225 B Q H X S+ 0 0 71 -4,-2.0 4,-3.4 1,-0.3 5,-0.3 0.859 109.8 47.7 -55.8 -42.9 61.8 -16.8 62.5 345 226 B E H X S+ 0 0 146 -4,-1.9 4,-1.0 1,-0.2 -1,-0.3 0.837 112.4 52.2 -69.1 -30.2 64.7 -18.0 60.3 346 227 B L H < S+ 0 0 15 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.838 120.0 32.8 -69.8 -38.1 63.1 -16.0 57.6 347 228 B F H < S+ 0 0 8 -4,-2.3 -2,-0.2 -76,-0.1 -3,-0.2 0.938 131.1 31.1 -79.5 -55.7 63.0 -12.8 59.7 348 229 B F H < S+ 0 0 127 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.402 96.5 106.6 -93.3 0.3 66.1 -13.3 61.8 349 230 B G S < S- 0 0 15 -4,-1.0 3,-0.1 -5,-0.3 -3,-0.0 -0.270 83.8 -81.5 -68.9 164.3 68.2 -15.1 59.3 350 231 B E - 0 0 175 1,-0.1 2,-0.2 -2,-0.0 -1,-0.1 -0.286 60.7 -88.2 -62.9 152.3 71.1 -13.6 57.4 351 232 B W - 0 0 80 -3,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.433 38.7-128.9 -73.8 135.3 70.2 -11.5 54.4 352 233 B S > - 0 0 51 -2,-0.2 4,-1.9 1,-0.1 3,-0.5 -0.468 26.7-107.3 -75.8 152.7 69.8 -13.2 51.0 353 234 B Q H > S+ 0 0 160 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.873 122.3 46.4 -37.9 -50.2 71.6 -11.9 47.9 354 235 B V H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.814 106.1 58.1 -71.5 -34.2 68.3 -10.6 46.6 355 236 B E H > S+ 0 0 12 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.946 106.1 47.9 -62.4 -49.7 67.1 -9.0 49.9 356 237 B K H X S+ 0 0 121 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.809 109.7 55.7 -59.1 -34.1 70.2 -6.7 50.1 357 238 B E H >X S+ 0 0 84 -4,-1.1 4,-1.7 -5,-0.3 3,-0.8 0.938 105.9 49.6 -62.1 -49.1 69.5 -5.8 46.5 358 239 B M H 3X S+ 0 0 24 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.831 103.2 62.7 -60.2 -32.9 65.9 -4.8 47.4 359 240 B L H 3X S+ 0 0 62 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.834 105.1 44.8 -62.7 -35.1 67.3 -2.6 50.2 360 241 B Q H < S+ 0 0 64 -4,-1.1 3,-1.2 1,-0.2 -1,-0.2 0.903 112.5 47.5 -67.1 -43.0 63.2 10.5 44.3 369 250 B L H >< S+ 0 0 23 -4,-1.6 3,-0.6 1,-0.3 -2,-0.2 0.622 98.8 70.1 -70.4 -15.4 60.1 10.7 46.4 370 251 B L T 3< S+ 0 0 116 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.714 117.1 23.2 -68.6 -22.1 62.2 12.8 48.8 371 252 B E T < 0 0 154 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 -0.086 360.0 360.0-136.9 34.7 61.9 15.4 45.9 372 253 B K < 0 0 165 -3,-0.6 -3,-0.2 -88,-0.1 -2,-0.1 0.204 360.0 360.0-137.6 360.0 58.8 14.3 44.0 373 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 374 66 C M 0 0 232 0, 0.0 2,-0.3 0, 0.0 64,-0.0 0.000 360.0 360.0 360.0 -56.5 65.2 11.4 23.7 375 67 C L - 0 0 56 1,-0.1 5,-0.1 2,-0.0 64,-0.0 -0.874 360.0-105.3-126.3 142.0 64.7 8.8 21.0 376 68 C N > - 0 0 94 -2,-0.3 4,-3.3 1,-0.1 5,-0.2 -0.157 33.0-116.8 -50.0 149.0 66.5 7.4 17.9 377 69 C P H > S+ 0 0 47 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.895 121.5 49.5 -56.2 -39.7 65.3 8.3 14.4 378 70 C V H > S+ 0 0 38 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.933 115.8 41.9 -62.4 -47.0 64.4 4.6 14.0 379 71 C E H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.835 110.7 57.7 -66.2 -36.0 62.5 4.6 17.3 380 72 C D H X S+ 0 0 6 -4,-3.3 4,-1.6 2,-0.2 -1,-0.2 0.850 108.6 44.7 -66.5 -36.6 61.0 8.0 16.6 381 73 C Y H X S+ 0 0 16 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.842 108.2 58.9 -75.0 -34.3 59.4 6.7 13.4 382 74 C E H X S+ 0 0 73 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.897 106.4 48.5 -55.7 -43.0 58.3 3.6 15.3 383 75 C L H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.911 108.8 53.1 -64.4 -44.7 56.4 5.9 17.6 384 76 C T H X S+ 0 0 2 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.941 110.2 48.0 -53.8 -50.0 54.9 7.7 14.6 385 77 C L H X S+ 0 0 46 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.884 112.6 48.1 -60.0 -42.4 53.7 4.3 13.2 386 78 C K H X S+ 0 0 84 -4,-2.3 4,-3.4 2,-0.2 -1,-0.2 0.908 111.0 50.4 -65.4 -42.5 52.3 3.4 16.6 387 79 C I H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.899 112.6 48.0 -60.1 -38.6 50.5 6.7 16.9 388 80 C E H X S+ 0 0 27 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.949 112.8 47.6 -67.8 -47.7 49.2 6.1 13.4 389 81 C I H X S+ 0 0 61 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.964 114.9 46.1 -49.8 -56.7 48.1 2.6 14.4 390 82 C V H X S+ 0 0 9 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.854 110.5 52.4 -63.9 -38.5 46.4 3.9 17.6 391 83 C K H X S+ 0 0 10 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.951 107.3 52.4 -58.9 -50.6 44.7 6.8 15.9 392 84 C E H X S+ 0 0 55 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.882 109.2 49.3 -56.5 -46.3 43.1 4.5 13.2 393 85 C R H X S+ 0 0 72 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.962 112.1 48.0 -53.8 -56.7 41.7 2.2 15.9 394 86 C G H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 -2,-0.2 0.914 108.7 54.4 -52.2 -49.8 40.2 5.1 17.9 395 87 C A H X S+ 0 0 13 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.903 111.7 45.0 -48.9 -47.3 38.7 6.6 14.7 396 88 C N H X S+ 0 0 56 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.844 111.6 51.4 -70.7 -34.6 37.0 3.2 14.0 397 89 C L H X S+ 0 0 5 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.915 110.1 51.3 -63.6 -43.7 35.8 2.9 17.6 398 90 C L H X S+ 0 0 7 -4,-3.3 4,-3.0 2,-0.2 5,-0.2 0.958 108.7 49.1 -56.1 -54.9 34.4 6.4 17.4 399 91 C S H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.3 -1,-0.2 0.911 114.3 47.3 -50.6 -47.8 32.5 5.6 14.2 400 92 C R H X S+ 0 0 47 -4,-2.1 4,-1.7 2,-0.2 -1,-0.3 0.884 111.5 50.4 -57.4 -44.1 31.2 2.4 16.0 401 93 C L H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.833 110.2 50.7 -68.2 -34.4 30.3 4.5 19.0 402 94 C Y H X S+ 0 0 9 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.937 106.4 54.3 -63.7 -49.5 28.4 7.0 16.8 403 95 C R H X S+ 0 0 75 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.854 110.9 46.1 -57.0 -37.1 26.5 4.2 15.2 404 96 C Y H X S+ 0 0 9 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.927 110.6 51.2 -71.0 -46.6 25.3 3.0 18.6 405 97 C Q H <>S+ 0 0 5 -4,-2.0 5,-2.1 1,-0.2 3,-0.3 0.873 109.0 53.9 -57.1 -38.8 24.4 6.5 19.8 406 98 C D H ><5S+ 0 0 63 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.908 105.6 50.8 -59.2 -46.2 22.4 6.9 16.6 407 99 C S H 3<5S+ 0 0 64 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.709 110.9 51.5 -67.2 -18.0 20.4 3.7 17.3 408 100 C Q T 3<5S- 0 0 83 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.314 109.8-123.6 -99.7 4.4 19.7 5.0 20.8 409 101 C G T < 5 + 0 0 65 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.688 51.8 161.9 60.1 20.3 18.4 8.4 19.5 410 102 C I < - 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0 0 19 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.840 40.6-109.4 -91.5 128.9 46.2 -38.9 -45.1 756 103 E S > - 0 0 71 -2,-0.5 3,-1.1 1,-0.1 6,-0.1 -0.237 17.5-125.3 -57.6 144.4 42.6 -38.4 -46.2 757 104 E I T 3 S+ 0 0 27 1,-0.2 -1,-0.1 -6,-0.0 -2,-0.0 0.831 110.3 35.8 -53.7 -38.2 41.6 -35.0 -47.7 758 105 E D T 3 S+ 0 0 103 1,-0.1 2,-1.9 2,-0.0 -1,-0.2 0.179 77.0 130.3-107.9 14.8 38.8 -34.6 -45.2 759 106 E D X + 0 0 51 -3,-1.1 3,-1.2 1,-0.2 6,-0.3 -0.446 27.1 175.6 -80.5 80.8 40.3 -36.3 -42.1 760 107 E E T 3 S+ 0 0 100 -2,-1.9 -1,-0.2 1,-0.3 6,-0.0 0.653 74.2 59.6 -64.3 -17.8 39.5 -33.6 -39.5 761 108 E S T 3 S+ 0 0 93 -3,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.821 84.8 90.3 -77.3 -36.9 40.8 -35.7 -36.6 762 109 E N S <> S- 0 0 34 -3,-1.2 4,-1.0 1,-0.1 3,-0.3 -0.455 76.4-140.6 -62.1 130.3 44.3 -36.0 -38.1 763 110 E P H > S+ 0 0 31 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.801 97.9 62.2 -72.6 -30.9 46.5 -33.1 -36.9 764 111 E W H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.907 103.7 51.6 -56.7 -42.4 48.2 -32.4 -40.2 765 112 E I H > S+ 0 0 4 -3,-0.3 4,-3.0 -6,-0.3 -1,-0.2 0.825 102.9 59.5 -62.5 -33.6 44.8 -31.6 -41.6 766 113 E L H X S+ 0 0 20 -4,-1.0 4,-3.3 2,-0.2 -2,-0.2 0.957 108.2 44.6 -57.6 -49.5 44.3 -29.2 -38.7 767 114 E M H X S+ 0 0 6 -4,-1.9 4,-3.0 2,-0.2 5,-0.4 0.931 112.8 50.3 -59.2 -51.0 47.4 -27.3 -39.9 768 115 E S H X S+ 0 0 3 -4,-2.5 4,-4.3 1,-0.2 5,-0.2 0.973 115.2 44.1 -48.1 -58.9 46.2 -27.4 -43.5 769 116 E D H X S+ 0 0 15 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.898 114.0 49.2 -57.4 -48.2 42.8 -26.1 -42.4 770 117 E D H X S+ 0 0 19 -4,-3.3 4,-1.2 -5,-0.2 -1,-0.2 0.972 119.9 36.9 -53.9 -60.3 44.3 -23.5 -40.1 771 118 E L H >X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 3,-1.0 0.949 115.6 54.7 -53.8 -54.8 46.7 -22.2 -42.8 772 119 E S H 3X S+ 0 0 0 -4,-4.3 4,-1.6 -5,-0.4 -1,-0.2 0.868 108.0 49.4 -51.9 -44.2 44.2 -22.7 -45.6 773 120 E D H 3X>S+ 0 0 41 -4,-2.8 4,-1.4 -5,-0.2 5,-1.1 0.795 110.4 52.1 -63.1 -31.3 41.5 -20.6 -43.8 774 121 E L H <<>S+ 0 0 5 -4,-1.2 5,-2.2 -3,-1.0 -2,-0.2 0.859 110.8 45.1 -76.5 -39.4 44.1 -17.9 -43.3 775 122 E I H <5S+ 0 0 8 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.761 116.5 47.6 -71.8 -28.7 45.2 -17.7 -46.9 776 123 E H H <5S- 0 0 31 -4,-1.6 97,-0.3 -5,-0.3 -2,-0.2 0.768 133.6 -7.5 -89.4 -25.5 41.5 -17.7 -48.1 777 124 E T T ><5S+ 0 0 15 -4,-1.4 3,-1.0 -5,-0.1 4,-0.5 0.633 119.2 56.8-133.7 -60.3 39.9 -15.1 -45.9 778 125 E N G >>4 S- 0 0 55 1,-0.1 4,-1.0 -56,-0.0 3,-0.1 -0.742 77.1-120.0-111.9 159.5 48.0 -3.2 -39.3 785 132 E F H > S+ 0 0 60 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.710 113.9 57.7 -66.1 -23.7 51.6 -3.9 -40.2 786 133 E D H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.867 97.5 58.2 -74.6 -39.3 51.9 -6.0 -37.1 787 134 E E H > S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.886 108.5 49.8 -54.4 -36.7 49.0 -8.3 -38.1 788 135 E I H X S+ 0 0 2 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.907 107.7 49.7 -71.8 -44.1 51.1 -9.0 -41.2 789 136 E E H X S+ 0 0 24 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.820 108.9 55.6 -61.7 -33.3 54.4 -9.8 -39.4 790 137 E R H X S+ 0 0 73 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.932 108.6 45.3 -66.0 -47.3 52.5 -12.2 -37.1 791 138 E Y H X S+ 0 0 45 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.866 110.7 55.4 -63.6 -34.0 51.2 -14.1 -40.1 792 139 E S H X S+ 0 0 18 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.880 109.7 45.8 -66.7 -39.2 54.7 -14.0 -41.5 793 140 E G H X S+ 0 0 2 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.838 108.4 56.6 -69.0 -37.1 56.0 -15.6 -38.3 794 141 E Y H X S+ 0 0 3 -4,-2.5 4,-1.6 1,-0.2 3,-0.4 0.965 108.9 46.9 -54.8 -51.6 53.2 -18.1 -38.4 795 142 E L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.851 106.5 58.0 -60.6 -38.4 54.3 -19.2 -41.8 796 143 E D H X S+ 0 0 48 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.881 106.3 49.8 -57.0 -41.5 58.0 -19.4 -40.7 797 144 E G H X S+ 0 0 0 -4,-1.7 4,-1.1 -3,-0.4 -1,-0.2 0.856 109.9 48.5 -69.4 -39.8 57.1 -21.9 -38.0 798 145 E I H X S+ 0 0 2 -4,-1.6 4,-2.0 2,-0.2 3,-0.2 0.910 113.1 49.4 -62.7 -43.5 55.1 -24.2 -40.4 799 146 E E H X S+ 0 0 58 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.877 105.8 55.1 -68.0 -38.9 58.0 -24.0 -42.9 800 147 E R H < S+ 0 0 72 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.837 110.7 49.1 -57.4 -32.4 60.5 -24.9 -40.1 801 148 E M H >X S+ 0 0 3 -4,-1.1 4,-2.0 -3,-0.2 3,-1.1 0.891 105.1 54.0 -76.0 -41.9 58.3 -28.0 -39.5 802 149 E L H 3X S+ 0 0 1 -4,-2.0 4,-3.7 1,-0.3 5,-0.3 0.854 100.1 62.8 -64.6 -34.1 58.1 -29.1 -43.1 803 150 E E H 3< S+ 0 0 89 -4,-1.7 -1,-0.3 1,-0.2 4,-0.2 0.786 109.8 40.5 -58.1 -29.4 61.8 -29.2 -43.4 804 151 E I H <4 S+ 0 0 48 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.786 116.5 50.0 -88.9 -33.5 61.9 -31.9 -40.7 805 152 E S H >X S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 4,-0.9 0.933 106.0 54.2 -67.7 -47.4 58.8 -33.7 -42.1 806 153 E E T 3< S+ 0 0 61 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.1 0.642 93.0 73.4 -66.7 -15.2 60.2 -33.8 -45.7 807 154 E K T 34 S+ 0 0 181 -5,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.077 101.9 43.2 -84.6 22.9 63.4 -35.5 -44.3 808 155 E R T <4 S+ 0 0 109 -3,-1.1 -2,-0.2 289,-0.0 -1,-0.2 0.467 86.0 106.9-131.6 -34.5 61.3 -38.6 -43.9 809 156 E M < - 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