==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/TRANSFERASE/DNA 03-SEP-10 3OQM . COMPND 2 MOLECULE: CATABOLITE CONTROL PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR M.A.SCHUMACHER,M.SPREHE,M.BARTHOLOMAE,W.HILLEN,R.G.BRENNAN . 838 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36157.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 596 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 4.8 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 . 2 0.2 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 . 57 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 3.1 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 3 0 2 1 6 1 2 3 2 3 7 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 9 5 0 2 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 3 3 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 2 0 0 0 0 0 1 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 2 A M 0 0 195 0, 0.0 2,-0.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -30.3 -41.7 53.6 59.7 2 3 A N - 0 0 138 1,-0.2 0, 0.0 5,-0.0 0, 0.0 -0.686 360.0 -45.2 -86.1 103.8 -40.7 54.9 63.2 3 4 A I S S+ 0 0 77 -2,-0.9 44,-0.5 1,-0.1 -1,-0.2 0.916 80.9 165.3 37.0 79.5 -40.2 58.6 63.1 4 5 A T > - 0 0 56 -3,-0.3 4,-1.7 42,-0.1 3,-0.5 -0.590 57.6 -89.5-109.0 173.4 -38.2 59.2 60.0 5 6 A I H > S+ 0 0 38 1,-0.2 4,-1.6 -2,-0.2 5,-0.1 0.779 127.2 61.5 -55.9 -25.9 -37.5 62.5 58.2 6 7 A Y H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.948 101.9 48.2 -66.7 -49.3 -40.6 61.7 56.3 7 8 A D H > S+ 0 0 30 -3,-0.5 4,-2.3 1,-0.2 -2,-0.2 0.889 109.2 53.8 -58.4 -41.3 -42.9 61.7 59.3 8 9 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.882 108.1 51.3 -61.1 -39.6 -41.4 65.0 60.5 9 10 A A H X>S+ 0 0 5 -4,-1.6 5,-1.4 2,-0.2 4,-1.0 0.977 106.9 51.2 -63.4 -54.4 -42.2 66.5 57.2 10 11 A R H ><5S+ 0 0 167 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.917 112.3 49.5 -48.4 -46.5 -45.9 65.4 57.2 11 12 A E H 3<5S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.896 115.0 40.1 -61.0 -45.2 -46.2 67.0 60.7 12 13 A A H 3<5S- 0 0 3 -4,-2.3 -1,-0.2 -3,-0.2 -2,-0.2 0.396 109.8-123.7 -86.5 5.5 -44.7 70.4 59.8 13 14 A N T <<5S+ 0 0 131 -4,-1.0 2,-0.2 -3,-0.9 -3,-0.2 0.953 73.4 107.2 51.3 58.4 -46.5 70.3 56.5 14 15 A V S - 0 0 63 -2,-0.2 4,-1.5 -3,-0.1 5,-0.1 -0.394 36.9-110.2 -90.2 171.9 -41.1 68.6 52.2 16 17 A M H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.841 117.4 60.6 -68.2 -32.7 -38.4 66.2 53.2 17 18 A A H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 104.1 46.6 -62.1 -45.6 -35.9 68.7 51.8 18 19 A T H > S+ 0 0 25 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.871 111.5 51.5 -66.7 -34.3 -36.9 71.4 54.2 19 20 A V H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.864 112.3 47.8 -68.0 -34.4 -36.8 69.0 57.1 20 21 A S H X S+ 0 0 47 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.841 112.2 48.8 -73.4 -33.6 -33.3 68.1 55.9 21 22 A R H X>S+ 0 0 101 -4,-2.3 5,-2.6 2,-0.2 4,-0.5 0.945 113.4 45.9 -71.3 -46.7 -32.3 71.7 55.6 22 23 A V H ><5S+ 0 0 9 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.943 111.5 53.0 -60.6 -45.6 -33.6 72.7 59.0 23 24 A V H 3<5S+ 0 0 39 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.843 113.8 42.7 -58.8 -33.2 -31.9 69.6 60.5 24 25 A N H 3<5S- 0 0 97 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.383 113.1-115.9 -96.3 6.4 -28.6 70.6 59.0 25 26 A G T <<5 + 0 0 49 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.799 47.8 175.5 67.5 29.2 -28.9 74.2 59.8 26 27 A N < - 0 0 65 -5,-2.6 2,-2.2 -6,-0.2 -1,-0.2 -0.560 34.0-128.5 -70.8 119.5 -28.9 75.3 56.2 27 28 A P S S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.457 87.0 84.8 -70.9 77.3 -29.5 79.1 56.2 28 29 A N + 0 0 130 -2,-2.2 2,-0.5 -10,-0.1 -6,-0.1 0.009 57.1 111.7-165.9 34.2 -32.4 79.1 53.7 29 30 A V S S- 0 0 13 -3,-0.2 6,-0.0 -8,-0.1 -11,-0.0 -0.976 71.8-118.7-122.0 124.2 -35.4 78.5 55.9 30 31 A K >> - 0 0 145 -2,-0.5 3,-4.2 1,-0.2 4,-1.6 -0.446 31.7-123.6 -58.8 119.5 -38.0 81.1 56.5 31 32 A P H 3> S+ 0 0 85 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.793 112.3 58.3 -34.2 -44.7 -37.8 81.5 60.3 32 33 A T H 3> S+ 0 0 103 2,-0.2 4,-1.0 1,-0.2 -2,-0.1 0.718 114.1 40.2 -62.5 -20.5 -41.5 80.8 60.6 33 34 A T H <> S+ 0 0 22 -3,-4.2 4,-2.7 2,-0.2 5,-0.3 0.895 107.9 54.9 -91.9 -58.4 -40.7 77.4 59.0 34 35 A R H X S+ 0 0 102 -4,-1.6 4,-1.7 1,-0.3 -2,-0.2 0.839 115.7 46.7 -45.0 -32.0 -37.4 76.4 60.6 35 36 A K H X S+ 0 0 107 -4,-1.8 4,-2.1 -5,-0.4 -1,-0.3 0.940 106.4 54.4 -76.4 -50.1 -39.5 76.9 63.7 36 37 A K H X S+ 0 0 87 -4,-1.0 4,-1.9 1,-0.2 -2,-0.2 0.895 114.0 43.4 -50.2 -44.0 -42.5 74.9 62.5 37 38 A V H X S+ 0 0 1 -4,-2.7 4,-3.3 2,-0.2 -1,-0.2 0.898 108.2 55.1 -72.0 -43.8 -40.2 72.0 61.8 38 39 A L H X S+ 0 0 83 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.844 108.4 53.8 -57.6 -31.5 -38.2 72.1 65.0 39 40 A E H X S+ 0 0 77 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.994 109.8 44.6 -63.2 -61.3 -41.5 72.0 66.7 40 41 A A H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.898 109.2 56.4 -47.4 -51.9 -42.5 68.8 64.8 41 42 A I H X>S+ 0 0 29 -4,-3.3 5,-1.9 2,-0.2 4,-1.2 0.938 111.2 45.1 -47.7 -51.5 -39.1 67.3 65.4 42 43 A E H ><5S+ 0 0 149 -4,-2.0 3,-1.4 -3,-0.2 -2,-0.2 0.974 113.1 47.5 -57.0 -62.3 -39.6 67.8 69.2 43 44 A R H 3<5S+ 0 0 155 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.856 116.3 45.8 -50.5 -38.6 -43.2 66.5 69.3 44 45 A L H 3<5S- 0 0 36 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.625 104.0-127.4 -83.1 -11.9 -42.2 63.4 67.2 45 46 A G T <<5 - 0 0 39 -3,-1.4 2,-0.2 -4,-1.2 -3,-0.2 0.868 43.6-178.2 67.7 35.3 -39.1 62.6 69.2 46 47 A Y < - 0 0 32 -5,-1.9 -1,-0.2 -6,-0.2 -42,-0.1 -0.470 15.7-176.1 -73.6 136.3 -37.1 62.5 65.9 47 48 A R - 0 0 86 -44,-0.5 -42,-0.1 -2,-0.2 2,-0.0 -0.986 30.1-117.3-132.9 120.4 -33.4 61.7 65.9 48 49 A P - 0 0 45 0, 0.0 2,-0.6 0, 0.0 -44,-0.0 -0.337 24.4-129.6 -61.7 135.8 -31.4 61.9 62.7 49 50 A N > - 0 0 50 1,-0.1 4,-1.4 487,-0.1 487,-0.2 -0.771 16.8-166.7 -86.3 114.5 -30.0 58.5 61.6 50 51 A A H > S+ 0 0 21 485,-2.4 4,-3.7 -2,-0.6 486,-0.2 0.802 83.9 61.3 -73.9 -28.6 -26.3 59.0 60.8 51 52 A V H > S+ 0 0 12 484,-0.6 4,-3.1 2,-0.3 -1,-0.2 0.943 108.2 43.2 -61.7 -49.5 -25.9 55.6 59.1 52 53 A A H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 114.0 53.0 -61.7 -38.8 -28.5 56.6 56.5 53 54 A R H X S+ 0 0 107 -4,-1.4 4,-3.0 2,-0.2 -2,-0.3 0.942 109.9 49.2 -59.8 -46.9 -26.6 60.0 56.5 54 55 A G H X>S+ 0 0 5 -4,-3.7 4,-2.4 1,-0.2 5,-0.7 0.951 107.3 51.9 -57.7 -54.2 -23.4 58.0 55.8 55 56 A L H <5S+ 0 0 73 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.904 118.1 38.9 -48.8 -49.5 -24.8 55.9 53.0 56 57 A A H <5S+ 0 0 82 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.952 119.5 42.6 -66.3 -56.3 -25.9 59.1 51.2 57 58 A S H <5S- 0 0 58 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.634 100.1-127.2 -69.3 -20.1 -23.1 61.4 51.9 58 59 A K T <5S+ 0 0 169 -4,-2.4 2,-0.3 -5,-0.2 -3,-0.1 0.690 80.3 73.5 76.5 22.9 -20.2 58.9 51.3 59 60 A K < - 0 0 102 -5,-0.7 -2,-0.2 -6,-0.2 -1,-0.2 -0.976 59.8-154.6-158.4 156.8 -18.6 59.5 54.7 60 61 A T - 0 0 18 56,-0.3 32,-0.2 -2,-0.3 -6,-0.1 0.244 32.9-126.5-123.7 14.8 -19.2 58.7 58.4 61 62 A T S S+ 0 0 55 1,-0.1 31,-2.4 30,-0.1 2,-0.4 0.749 78.4 104.9 45.2 28.1 -17.5 61.3 60.5 62 63 A T E -a 92 0A 10 29,-0.3 56,-2.2 54,-0.2 57,-0.4 -0.997 54.2-156.6-135.9 141.2 -15.7 58.6 62.4 63 64 A V E -a 93 0A 0 29,-3.8 31,-1.5 -2,-0.4 2,-0.3 -0.703 18.1-114.3-112.0 169.4 -12.1 57.4 62.2 64 65 A G E -ab 94 120A 0 55,-3.0 57,-2.5 -2,-0.2 2,-0.4 -0.761 21.0-166.0-104.0 149.5 -10.3 54.2 63.0 65 66 A V E -ab 95 121A 2 29,-2.2 31,-0.8 -2,-0.3 2,-0.7 -0.908 4.0-170.4-140.7 109.6 -7.7 53.6 65.7 66 67 A I E +ab 96 122A 0 55,-1.7 57,-2.1 -2,-0.4 31,-0.2 -0.880 17.2 171.9 -99.6 113.4 -5.6 50.5 65.9 67 68 A I E -a 97 0A 0 29,-2.3 31,-2.3 -2,-0.7 32,-0.4 -0.948 35.6-134.7-123.5 142.2 -3.7 50.5 69.2 68 69 A P S S- 0 0 4 0, 0.0 31,-2.6 0, 0.0 2,-0.2 0.934 89.0 -13.2 -61.8 -46.3 -1.6 47.6 70.5 69 70 A D > - 0 0 37 28,-0.2 3,-1.5 29,-0.1 6,-0.2 -0.708 52.5-163.2-162.8 107.2 -3.0 47.8 74.1 70 71 A I T 3 S+ 0 0 4 1,-0.3 9,-0.1 -3,-0.3 430,-0.1 0.597 85.8 73.6 -68.1 -12.5 -5.1 50.6 75.5 71 72 A S T 3 S+ 0 0 13 427,-0.1 2,-0.3 4,-0.1 -1,-0.3 0.450 75.3 110.7 -80.9 3.3 -4.5 49.5 79.1 72 73 A S S <> S- 0 0 25 -3,-1.5 4,-2.5 1,-0.1 5,-0.4 -0.606 74.4-135.7 -79.1 134.0 -0.9 50.8 78.7 73 74 A I H > S+ 0 0 18 -2,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.870 107.0 43.2 -55.3 -33.2 -0.1 53.9 80.7 74 75 A F H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.1 5,-0.2 0.992 115.6 39.9 -76.1 -68.7 1.6 55.1 77.5 75 76 A Y H > S+ 0 0 39 -6,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.820 112.7 58.0 -53.3 -35.8 -0.8 54.2 74.6 76 77 A S H >X S+ 0 0 1 -4,-2.5 4,-2.0 -7,-0.2 3,-0.6 0.979 107.7 46.1 -61.0 -50.5 -3.8 55.2 76.7 77 78 A E H 3X S+ 0 0 60 -4,-1.1 4,-1.0 -5,-0.4 -1,-0.2 0.830 111.8 52.0 -57.2 -34.6 -2.4 58.7 77.2 78 79 A L H 3X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.809 107.7 54.0 -71.8 -29.1 -1.7 58.7 73.5 79 80 A A H S+ 0 0 0 -4,-1.6 5,-2.0 2,-0.2 -2,-0.2 0.904 107.5 48.0 -74.4 -42.5 -11.2 64.2 66.9 87 88 A T H ><5S+ 0 0 45 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.903 106.3 59.7 -62.5 -39.7 -14.0 65.7 69.0 88 89 A M H 3<5S+ 0 0 36 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.913 111.5 39.9 -52.8 -44.5 -12.6 69.0 68.2 89 90 A Y T 3<5S- 0 0 61 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 -0.030 120.9-104.6 -98.5 31.3 -13.2 68.2 64.5 90 91 A K T < 5S+ 0 0 169 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.932 75.0 139.4 47.5 57.2 -16.6 66.5 65.0 91 92 A Y < - 0 0 35 -5,-2.0 -29,-0.3 -8,-0.2 2,-0.2 -0.983 42.7-145.7-133.0 143.8 -15.2 63.0 64.6 92 93 A N E -a 62 0A 20 -31,-2.4 -29,-3.8 -2,-0.4 2,-0.3 -0.661 15.9-137.8-102.6 162.8 -15.9 59.7 66.3 93 94 A I E -a 63 0A 4 423,-0.4 423,-0.7 -31,-0.3 2,-0.6 -0.916 6.7-153.1-123.2 143.4 -13.3 57.0 67.0 94 95 A I E -aC 64 515A 8 -31,-1.5 -29,-2.2 -2,-0.3 421,-0.2 -0.951 24.7-161.1-115.8 109.6 -13.5 53.1 66.7 95 96 A L E +aC 65 514A 11 419,-0.9 419,-0.6 -2,-0.6 2,-0.3 -0.597 18.4 160.7 -91.2 152.7 -11.0 51.7 69.1 96 97 A S E -a 66 0A 1 -31,-0.8 -29,-2.3 -2,-0.2 2,-0.3 -0.879 33.7-122.6-169.8 136.6 -9.5 48.2 69.0 97 98 A N E -a 67 0A 5 -2,-0.3 -28,-0.2 -31,-0.2 11,-0.1 -0.647 17.9-176.2 -87.7 140.9 -6.5 46.5 70.5 98 99 A S > - 0 0 0 -31,-2.3 3,-2.5 -2,-0.3 7,-0.3 0.656 20.8-150.3-106.6 -22.5 -4.0 44.8 68.2 99 100 A D T 3 - 0 0 82 -31,-2.6 3,-0.1 -32,-0.4 -30,-0.1 0.760 63.7 -78.5 55.8 22.5 -1.7 43.3 70.8 100 101 A Q T 3 S+ 0 0 59 1,-0.2 2,-1.0 23,-0.2 -1,-0.3 0.614 91.7 146.4 63.7 10.8 1.0 43.8 68.1 101 102 A N X> - 0 0 61 -3,-2.5 4,-2.6 1,-0.2 3,-0.6 -0.714 43.3-151.4 -81.6 105.9 -0.3 40.6 66.4 102 103 A M H 3> S+ 0 0 67 -2,-1.0 4,-2.0 1,-0.3 5,-0.3 0.825 95.0 56.8 -43.6 -40.5 0.2 41.3 62.7 103 104 A E H 3> S+ 0 0 151 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.956 111.3 41.7 -58.0 -51.6 -2.8 39.0 61.9 104 105 A K H <> S+ 0 0 64 -3,-0.6 4,-3.3 -6,-0.2 5,-0.3 0.934 112.7 54.2 -63.5 -48.1 -5.1 41.1 64.1 105 106 A E H X S+ 0 0 4 -4,-2.6 4,-2.7 -7,-0.3 3,-0.3 0.970 110.9 43.2 -49.5 -70.0 -3.7 44.4 62.9 106 107 A L H X S+ 0 0 23 -4,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.780 115.8 52.2 -46.5 -32.5 -4.2 43.8 59.2 107 108 A H H X S+ 0 0 117 -4,-1.5 4,-2.1 -5,-0.3 -1,-0.3 0.945 107.9 48.0 -72.0 -48.5 -7.6 42.3 60.1 108 109 A L H X S+ 0 0 17 -4,-3.3 4,-2.9 -3,-0.3 5,-0.3 0.896 108.8 57.3 -57.6 -39.2 -8.8 45.3 62.1 109 110 A L H X S+ 0 0 3 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.954 109.0 44.5 -55.7 -50.8 -7.6 47.4 59.2 110 111 A N H X S+ 0 0 59 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.2 0.793 113.0 51.1 -64.8 -32.1 -9.9 45.5 56.9 111 112 A T H X S+ 0 0 42 -4,-2.1 4,-2.5 2,-0.2 3,-0.4 0.974 111.6 45.8 -69.5 -54.7 -12.8 45.7 59.3 112 113 A M H <>S+ 0 0 2 -4,-2.9 5,-1.4 1,-0.3 -2,-0.2 0.890 110.1 53.1 -56.1 -42.4 -12.5 49.4 59.8 113 114 A L H ><5S+ 0 0 11 -4,-2.5 3,-1.0 -5,-0.3 -1,-0.3 0.888 110.4 51.4 -60.9 -31.8 -12.2 50.0 56.1 114 115 A G H 3<5S+ 0 0 7 -4,-1.2 357,-1.6 -3,-0.4 358,-0.5 0.921 101.1 57.2 -68.0 -45.4 -15.4 48.0 55.9 115 116 A K T 3<5S- 0 0 33 -4,-2.5 -1,-0.3 356,-0.2 -2,-0.2 0.355 118.4-117.4 -66.3 6.1 -17.2 50.1 58.5 116 117 A Q T < 5 - 0 0 44 -3,-1.0 -56,-0.3 -5,-0.2 -54,-0.2 0.904 42.7-174.2 55.8 53.3 -16.4 52.9 56.1 117 118 A V < - 0 0 4 -5,-1.4 -54,-0.2 1,-0.1 -1,-0.1 -0.468 27.7-136.1 -73.8 148.4 -14.2 55.0 58.3 118 119 A D S S- 0 0 17 -56,-2.2 2,-0.3 1,-0.2 -55,-0.2 0.388 81.1 -15.9 -85.9 2.2 -13.1 58.4 56.8 119 120 A G - 0 0 0 -57,-0.4 -55,-3.0 21,-0.2 2,-0.3 -0.895 61.7-131.3 169.4 163.5 -9.6 57.8 58.1 120 121 A I E -bd 64 142A 1 21,-2.1 23,-2.0 -2,-0.3 2,-0.5 -0.983 0.5-156.1-138.9 146.7 -7.3 55.8 60.4 121 122 A V E -bd 65 143A 0 -57,-2.5 -55,-1.7 -2,-0.3 2,-0.4 -0.994 24.7-157.9-119.7 125.8 -4.6 56.4 62.9 122 123 A F E -bd 66 144A 4 21,-2.5 23,-2.4 -2,-0.5 2,-0.5 -0.899 16.2-176.5-117.1 134.9 -2.3 53.5 63.4 123 124 A M + 0 0 0 -57,-2.1 2,-0.3 -2,-0.4 -23,-0.2 -0.943 23.2 142.7-129.3 112.8 0.0 52.5 66.3 124 125 A G - 0 0 4 -2,-0.5 24,-0.4 21,-0.2 3,-0.2 -0.883 46.0-138.9-140.7 171.8 2.2 49.5 66.0 125 126 A G S S+ 0 0 8 -2,-0.3 66,-0.5 1,-0.2 2,-0.3 0.546 94.5 38.6-109.8 -11.7 5.6 48.3 67.0 126 127 A N - 0 0 80 63,-0.2 2,-0.9 64,-0.1 -1,-0.2 -0.685 63.0-175.9-143.1 87.6 6.6 46.4 63.9 127 128 A I - 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0 0 99 -2,-0.8 -5,-0.1 -3,-0.3 2,-0.1 -0.272 19.2-109.0 -74.8 161.0 29.0 47.5 87.5 240 241 A P - 0 0 6 0, 0.0 -60,-0.2 0, 0.0 3,-0.1 -0.418 10.8-152.4 -83.7 166.6 27.5 50.6 85.8 241 242 A T S S+ 0 0 57 -62,-3.0 29,-2.0 1,-0.4 2,-0.3 0.559 83.7 23.0-111.2 -17.3 27.5 54.0 87.5 242 243 A A E -ln 180 270B 0 -63,-1.2 -61,-2.5 27,-0.2 2,-0.4 -0.991 68.3-154.8-146.7 148.8 24.4 55.2 85.7 243 244 A I E -ln 181 271B 1 27,-2.8 29,-1.8 -2,-0.3 2,-0.5 -0.987 2.6-156.4-131.1 136.1 21.5 53.4 84.0 244 245 A L E -ln 182 272B 0 -63,-1.7 -61,-2.7 -2,-0.4 2,-0.4 -0.946 12.4-156.2-111.4 125.7 19.2 54.6 81.2 245 246 A S E -l 183 0B 1 27,-3.0 -61,-0.2 -2,-0.5 3,-0.1 -0.827 16.7-143.0-100.1 141.2 15.8 52.9 81.0 246 247 A A S S+ 0 0 0 -63,-2.7 2,-0.3 -2,-0.4 -62,-0.1 0.557 89.5 29.6 -77.4 -4.1 14.0 52.9 77.7 247 248 A T S > S- 0 0 13 -64,-0.3 4,-2.2 1,-0.1 28,-0.2 -0.988 72.4-130.7-154.5 140.7 10.7 53.3 79.7 248 249 A D H > S+ 0 0 0 26,-2.0 4,-2.6 -2,-0.3 5,-0.3 0.944 108.4 59.1 -58.1 -49.2 9.7 55.0 83.0 249 250 A E H > S+ 0 0 21 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.914 110.1 43.7 -47.3 -44.4 7.8 51.9 84.1 250 251 A M H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.909 108.8 59.2 -68.7 -36.5 11.1 50.0 83.9 251 252 A A H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.892 102.2 51.2 -58.3 -43.1 12.9 52.9 85.5 252 253 A L H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.876 108.0 54.1 -63.0 -33.3 10.7 52.6 88.7 253 254 A G H X S+ 0 0 0 -4,-1.3 4,-2.4 -5,-0.3 -1,-0.2 0.916 109.6 48.2 -63.1 -40.5 11.6 48.9 88.7 254 255 A I H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 5,-0.4 0.967 113.1 46.5 -61.7 -56.4 15.2 50.0 88.6 255 256 A I H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.950 118.0 41.1 -53.4 -57.5 14.9 52.6 91.4 256 257 A H H X S+ 0 0 6 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.880 113.6 53.0 -62.2 -39.7 13.0 50.2 93.7 257 258 A A H X S+ 0 0 4 -4,-2.4 4,-1.6 -5,-0.3 3,-0.3 0.964 115.8 39.4 -61.1 -50.5 15.1 47.2 93.0 258 259 A A H <>S+ 0 0 0 -4,-2.8 5,-1.2 1,-0.2 4,-0.2 0.862 110.0 61.3 -66.5 -34.4 18.3 49.1 93.8 259 260 A Q H ><5S+ 0 0 55 -4,-2.8 3,-0.7 -5,-0.4 -1,-0.2 0.885 106.4 47.3 -59.1 -35.0 16.5 50.7 96.6 260 261 A D H 3<5S+ 0 0 99 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.823 102.3 60.6 -74.6 -35.6 16.0 47.2 98.1 261 262 A Q T 3<5S- 0 0 96 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.423 123.2-105.4 -71.8 2.8 19.6 46.1 97.5 262 263 A G T < 5S+ 0 0 54 -3,-0.7 -3,-0.2 1,-0.3 -2,-0.1 0.235 76.3 138.6 94.1 -16.2 20.5 48.9 99.8 263 264 A L < - 0 0 44 -5,-1.2 2,-0.6 -6,-0.1 -1,-0.3 -0.172 49.8-131.0 -59.2 160.3 21.8 51.3 97.2 264 265 A S > - 0 0 54 -3,-0.1 4,-3.2 2,-0.1 5,-0.5 -0.850 24.5-120.1-124.3 98.5 20.8 54.9 97.5 265 266 A I T 4 S+ 0 0 16 -2,-0.6 5,-0.1 1,-0.3 66,-0.1 -0.588 91.7 8.5 -75.2 135.1 19.4 56.6 94.4 266 267 A P T 4 S+ 0 0 35 0, 0.0 66,-0.4 0, 0.0 -1,-0.3 -0.998 128.2 56.2 -89.4 -5.8 20.8 59.1 93.2 267 268 A E T 4 S+ 0 0 146 1,-0.2 -2,-0.2 -3,-0.1 3,-0.1 0.901 120.8 27.6 -51.8 -50.1 23.9 58.9 95.4 268 269 A D S < S+ 0 0 69 -4,-3.2 2,-0.3 1,-0.2 -1,-0.2 0.638 133.7 19.1 -90.5 -14.7 24.9 55.4 94.5 269 270 A L - 0 0 3 -5,-0.5 2,-0.6 2,-0.0 -1,-0.2 -0.930 66.1-137.7-158.9 127.7 23.4 55.2 91.0 270 271 A D E -n 242 0B 3 -29,-2.0 -27,-2.8 -2,-0.3 2,-0.4 -0.779 28.4-169.0 -88.7 125.5 22.2 57.8 88.5 271 272 A I E -n 243 0B 1 59,-2.6 17,-0.5 -2,-0.6 2,-0.4 -0.941 12.0-178.8-119.3 139.9 18.9 56.7 86.9 272 273 A I E -no 244 288B 0 -29,-1.8 -27,-3.0 -2,-0.4 17,-0.2 -0.989 8.6-164.4-137.3 124.9 17.1 58.2 83.9 273 274 A G E - o 0 289B 0 15,-2.6 17,-1.5 -2,-0.4 2,-0.4 -0.382 13.9-126.2 -98.3-178.4 13.8 57.0 82.6 274 275 A F E S+ o 0 290B 0 15,-0.2 -26,-2.0 -2,-0.1 -25,-0.2 -0.998 77.3 35.1-138.7 132.5 12.0 57.6 79.3 275 276 A D E S- o 0 291B 14 15,-2.2 17,-1.0 -2,-0.4 19,-0.3 -0.219 79.5-127.4 123.7 -36.6 8.5 58.9 78.5 276 277 A N + 0 0 47 15,-0.2 -1,-0.1 1,-0.1 2,-0.1 0.976 49.1 169.8 55.0 56.7 7.9 61.5 81.3 277 278 A T >> - 0 0 17 -3,-0.1 3,-0.6 1,-0.1 4,-0.6 -0.291 55.0 -88.5 -88.0 177.4 4.6 59.8 82.3 278 279 A R H >> S+ 0 0 89 1,-0.2 4,-1.5 2,-0.2 3,-0.8 0.815 126.0 65.0 -57.5 -29.1 2.5 60.5 85.3 279 280 A L H 34 S+ 0 0 9 1,-0.2 -1,-0.2 2,-0.2 8,-0.2 0.920 83.7 71.9 -61.7 -44.0 4.7 57.9 87.1 280 281 A S H <4 S+ 0 0 0 -3,-0.6 7,-1.9 1,-0.3 3,-0.4 0.811 106.6 38.6 -38.3 -42.6 7.9 59.9 86.8 281 282 A L H << S+ 0 0 59 -3,-0.8 2,-1.8 -4,-0.6 -1,-0.3 0.896 105.0 66.4 -79.3 -43.0 6.4 62.2 89.5 282 283 A M S < S+ 0 0 7 -4,-1.5 2,-0.3 4,-0.1 -1,-0.2 -0.094 88.6 91.6 -74.6 43.3 4.8 59.6 91.6 283 284 A V S S- 0 0 0 -2,-1.8 4,-0.1 -3,-0.4 421,-0.1 -0.984 77.5-111.9-137.2 147.8 8.2 58.1 92.5 284 285 A R S S+ 0 0 58 -2,-0.3 2,-0.1 2,-0.1 -2,-0.0 -0.973 109.3 31.9-124.9 114.5 10.6 58.7 95.4 285 286 A P S S- 0 0 22 0, 0.0 2,-0.2 0, 0.0 45,-0.1 0.570 113.6-106.0 -73.2 164.1 13.1 60.0 94.5 286 287 A Q - 0 0 44 -2,-0.1 43,-2.6 1,-0.1 44,-1.8 -0.390 38.7-119.7 -59.1 124.4 11.5 62.0 91.6 287 288 A L - 0 0 0 -7,-1.9 2,-0.3 -8,-0.2 -1,-0.1 -0.530 14.9-141.9 -76.1 119.3 12.5 60.3 88.3 288 289 A S E +o 272 0B 0 -17,-0.5 -15,-2.6 -2,-0.4 2,-0.3 -0.611 37.1 172.1 -75.4 136.3 14.6 62.3 85.8 289 290 A T E -oP 273 326B 0 37,-2.2 37,-3.8 -2,-0.3 2,-0.6 -0.929 43.3-102.9-147.1 167.3 13.3 61.4 82.3 290 291 A V E -oP 274 325B 0 -17,-1.5 -15,-2.2 -2,-0.3 2,-0.4 -0.813 47.6-130.4 -87.6 122.4 13.4 62.1 78.6 291 292 A V E -oP 275 324B 16 33,-3.8 33,-1.0 -2,-0.6 -15,-0.2 -0.651 26.1-177.1 -83.0 133.2 10.2 64.0 77.9 292 293 A Q - 0 0 6 -17,-1.0 2,-3.5 -2,-0.4 3,-0.2 -0.986 29.0-133.9-129.7 116.7 8.0 62.7 75.0 293 294 A P > + 0 0 17 0, 0.0 4,-2.1 0, 0.0 3,-0.3 -0.219 39.0 167.9 -68.0 56.1 4.9 64.8 74.3 294 295 A T H >> S+ 0 0 12 -2,-3.5 4,-2.0 -19,-0.3 3,-0.8 0.860 73.1 46.3 -35.4 -64.8 2.8 61.6 74.1 295 296 A Y H 3> S+ 0 0 9 1,-0.3 4,-2.2 -3,-0.2 -1,-0.3 0.916 111.2 53.0 -47.1 -51.5 -0.5 63.4 74.1 296 297 A D H 3> S+ 0 0 3 -3,-0.3 4,-3.6 1,-0.2 5,-0.3 0.843 105.5 55.5 -54.9 -36.0 0.8 65.9 71.6 297 298 A I H S+ 0 0 32 -4,-1.4 5,-1.8 1,-0.2 3,-0.5 0.971 114.1 46.1 -56.9 -54.0 -6.1 67.7 56.8 308 309 A L H ><5S+ 0 0 25 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.825 110.0 52.9 -58.9 -34.7 -5.6 64.5 54.8 309 310 A M H 3<5S+ 0 0 14 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.839 106.1 55.2 -71.1 -28.9 -9.3 63.5 55.1 310 311 A N T 3<5S- 0 0 107 -4,-1.9 -1,-0.3 -3,-0.5 -2,-0.2 0.052 112.3-123.3 -90.8 25.8 -10.2 66.9 53.8 311 312 A K T < 5 + 0 0 167 -3,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.761 61.6 146.7 36.6 41.1 -8.1 66.3 50.7 312 313 A E < - 0 0 65 -5,-1.8 -1,-0.1 1,-0.1 -2,-0.1 -0.734 53.4 -92.7-103.7 156.4 -6.1 69.5 51.5 313 314 A P - 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.220 40.4-166.9 -63.0 152.3 -2.3 70.0 50.8 314 315 A V - 0 0 37 -6,-0.0 2,-0.7 -7,-0.0 3,-0.1 -0.993 21.7-128.5-147.8 136.7 0.3 69.3 53.5 315 316 A E S S- 0 0 167 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.740 84.0 -11.4 -84.6 113.7 4.0 70.1 54.0 316 317 A E - 0 0 129 -2,-0.7 -1,-0.1 1,-0.1 0, 0.0 0.705 58.5-140.2 65.5 124.8 5.9 66.9 54.7 317 318 A H S S+ 0 0 89 -3,-0.1 -161,-1.7 -162,-0.1 2,-0.5 0.618 88.2 68.6 -89.0 -18.1 4.0 63.6 55.6 318 319 A I E -f 156 0A 75 -163,-0.3 2,-0.4 -166,-0.1 -161,-0.2 -0.909 69.7-170.5-104.0 127.7 6.5 62.7 58.3 319 320 A V E -f 157 0A 29 -163,-3.2 -161,-1.9 -2,-0.5 2,-0.5 -0.966 10.5-163.8-124.5 134.4 6.5 64.9 61.3 320 321 A E E -f 158 0A 115 -2,-0.4 -161,-0.2 -163,-0.2 -163,-0.0 -0.962 9.3-155.3-117.2 119.0 8.9 64.9 64.2 321 322 A L - 0 0 1 -163,-3.6 -161,-0.4 -2,-0.5 63,-0.1 -0.632 29.6-101.5 -89.4 151.3 7.9 66.7 67.5 322 323 A P - 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