==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 02-MAY-11 3RSQ . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR I.A.SHUMILIN,M.CYMBOROWSKI,S.A.LESLEY,W.MINOR . 496 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22026.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 40 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 3 2 1 2 0 1 3 1 2 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 2 4 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 PARALLEL BRIDGES PER LADDER . 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 0 1 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 0 A H > 0 0 60 0, 0.0 4,-1.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 132.3 -0.5 49.0 55.4 2 1 A M H > + 0 0 18 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.750 360.0 67.4 -54.1 -28.0 -0.1 48.5 59.1 3 2 A K H > S+ 0 0 134 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.962 100.1 45.8 -61.5 -49.5 1.1 52.1 59.0 4 3 A E H > S+ 0 0 126 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.869 115.1 50.7 -54.1 -39.7 -2.3 53.3 58.1 5 4 A I H X S+ 0 0 7 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.922 109.7 46.5 -73.3 -45.4 -3.7 51.0 60.8 6 5 A D H X S+ 0 0 57 -4,-3.4 4,-2.4 1,-0.2 5,-0.2 0.952 114.4 50.2 -55.0 -49.9 -1.4 52.3 63.6 7 6 A E H X S+ 0 0 106 -4,-2.6 4,-3.3 -5,-0.2 5,-0.4 0.887 112.0 44.8 -59.8 -46.9 -2.1 55.9 62.6 8 7 A L H X>S+ 0 0 71 -4,-2.3 5,-2.3 2,-0.2 4,-2.2 0.907 111.8 53.7 -64.0 -40.3 -5.9 55.5 62.6 9 8 A T H <5S+ 0 0 0 -4,-2.3 6,-2.2 3,-0.2 5,-0.4 0.889 119.0 35.2 -64.8 -38.9 -5.8 53.6 65.9 10 9 A I H X5S+ 0 0 63 -4,-2.4 4,-0.5 4,-0.2 -2,-0.2 0.975 127.5 33.2 -72.5 -57.2 -3.8 56.4 67.5 11 10 A K H <5S+ 0 0 159 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.819 132.4 23.4 -78.9 -36.7 -5.3 59.5 65.8 12 11 A E T <5S+ 0 0 123 -4,-2.2 -3,-0.2 -5,-0.4 -1,-0.1 0.833 130.1 37.9-100.7 -43.4 -9.0 58.5 65.3 13 12 A Y T 4> - 0 0 65 -2,-0.6 4,-1.6 1,-0.2 3,-0.8 -0.260 16.0-130.4 -50.3 133.5 -2.0 56.4 73.0 17 16 A S H 3> S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.828 109.0 59.9 -58.0 -34.0 1.0 55.4 70.8 18 17 A R H 3> S+ 0 0 105 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.838 100.9 53.4 -64.0 -35.5 2.8 54.4 74.0 19 18 A I H <> S+ 0 0 96 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.895 109.2 48.6 -65.2 -43.9 0.1 51.8 74.9 20 19 A L H X S+ 0 0 10 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.917 112.3 49.2 -60.9 -42.9 0.5 50.2 71.5 21 20 A M H X S+ 0 0 8 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.932 111.0 49.0 -65.2 -42.8 4.3 50.1 72.0 22 21 A E H X S+ 0 0 52 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.949 112.1 48.9 -61.1 -46.3 3.9 48.6 75.5 23 22 A R H X S+ 0 0 62 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.861 110.2 52.9 -58.3 -37.8 1.5 45.9 74.1 24 23 A A H X S+ 0 0 2 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.967 110.7 45.9 -63.1 -53.7 4.0 45.2 71.3 25 24 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.911 112.4 48.4 -58.1 -46.5 6.9 44.7 73.6 26 25 A I H X S+ 0 0 56 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.855 105.3 58.3 -67.2 -30.8 5.1 42.5 76.1 27 26 A S H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.901 105.2 53.1 -66.9 -30.2 3.7 40.3 73.2 28 27 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.950 108.1 49.6 -64.6 -43.6 7.4 39.7 72.3 29 28 A V H X S+ 0 0 26 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.936 113.2 45.5 -59.5 -48.2 8.2 38.6 75.9 30 29 A L H X S+ 0 0 72 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.832 111.5 52.8 -66.5 -34.7 5.2 36.1 76.0 31 30 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.910 109.1 49.8 -67.2 -39.9 6.1 34.8 72.5 32 31 A M H X S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.2 5,-0.3 0.894 110.3 50.3 -65.6 -36.6 9.6 34.1 73.7 33 32 A E H X S+ 0 0 90 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.885 108.2 51.4 -69.2 -42.3 8.3 32.3 76.8 34 33 A E H < S+ 0 0 120 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.839 119.5 38.4 -58.1 -37.4 6.0 30.1 74.8 35 34 A E H < S+ 0 0 76 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.852 129.0 27.8 -87.7 -36.6 9.0 29.2 72.5 36 35 A L H < S- 0 0 35 -4,-3.4 -3,-0.2 1,-0.4 2,-0.2 0.576 95.5-137.1-101.8 -10.8 11.8 28.9 75.1 37 36 A G S < S+ 0 0 36 -4,-2.3 -1,-0.4 -5,-0.3 -2,-0.1 -0.548 73.9 14.1 79.6-157.0 9.9 27.9 78.3 38 37 A N - 0 0 111 -2,-0.2 3,-0.4 1,-0.2 4,-0.1 -0.247 65.3-160.9 -55.1 129.8 11.0 29.7 81.4 39 38 A L > + 0 0 9 1,-0.2 3,-1.6 2,-0.1 30,-0.5 0.588 64.8 97.1 -89.7 -10.2 13.1 32.7 80.6 40 39 A S T 3 S+ 0 0 48 1,-0.3 29,-0.4 28,-0.2 -1,-0.2 0.746 82.8 47.2 -64.3 -26.2 14.7 33.2 83.9 41 40 A D T 3 S+ 0 0 119 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.1 0.689 95.2 96.8 -86.0 -12.2 18.0 31.4 83.2 42 41 A Y < - 0 0 73 -3,-1.6 27,-1.2 -4,-0.1 28,-1.1 -0.365 65.3-139.1 -83.6 152.2 18.7 33.1 79.9 43 42 A R E -a 70 0A 80 26,-0.2 68,-2.8 25,-0.1 69,-2.2 -0.950 22.7-151.9-108.3 124.4 20.9 36.1 79.1 44 43 A F E -ab 71 112A 0 26,-3.5 28,-2.3 -2,-0.5 2,-0.6 -0.826 14.7-166.9-107.1 130.6 19.4 38.6 76.6 45 44 A L E -ab 72 113A 0 67,-3.1 69,-2.8 -2,-0.4 2,-0.6 -0.949 14.6-164.0-111.8 113.2 21.1 41.0 74.2 46 45 A V E -ab 73 114A 0 26,-3.1 28,-2.6 -2,-0.6 2,-0.7 -0.886 3.9-159.5-106.6 117.6 18.6 43.5 72.8 47 46 A L E -ab 74 115A 2 67,-2.7 69,-2.5 -2,-0.6 2,-0.5 -0.892 15.2-172.0-101.1 114.0 19.7 45.4 69.7 48 47 A C E -ab 75 116A 0 26,-2.2 28,-2.6 -2,-0.7 29,-0.7 -0.905 13.0-159.1-113.6 130.0 17.7 48.6 69.3 49 48 A G - 0 0 2 67,-2.2 69,-0.1 -2,-0.5 8,-0.1 -0.304 39.7-101.9 -85.1-178.2 17.7 51.1 66.4 50 49 A G S S+ 0 0 15 4,-0.1 31,-2.1 -2,-0.1 34,-0.2 0.413 94.5 81.3 -88.1 -0.0 16.5 54.7 67.0 51 50 A G S > S- 0 0 31 66,-0.4 4,-1.9 29,-0.2 5,-0.1 -0.122 103.5 -80.3 -91.6-166.7 13.0 54.1 65.5 52 51 A N H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.738 127.4 62.5 -71.7 -21.4 9.8 52.6 66.9 53 52 A N H > S+ 0 0 16 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.964 106.6 45.5 -63.9 -49.5 11.1 49.1 66.3 54 53 A G H > S+ 0 0 0 63,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.887 108.4 57.0 -56.8 -41.2 13.9 50.0 68.7 55 54 A G H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.920 105.8 49.5 -57.9 -45.4 11.3 51.5 71.1 56 55 A D H X S+ 0 0 17 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.915 108.9 55.4 -54.7 -42.2 9.5 48.1 71.1 57 56 A G H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.908 104.0 51.4 -56.7 -49.0 12.9 46.7 71.8 58 57 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.854 107.8 53.5 -59.4 -35.2 13.3 48.9 74.9 59 58 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.916 109.4 48.5 -65.1 -45.3 9.9 47.7 76.1 60 59 A V H X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.961 113.3 47.0 -55.9 -50.5 11.1 44.1 75.8 61 60 A A H >X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 3,-0.9 0.922 111.2 50.8 -63.4 -43.8 14.3 44.8 77.6 62 61 A R H >< S+ 0 0 23 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.915 108.2 52.1 -60.4 -44.9 12.6 46.7 80.4 63 62 A N H 3< S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.651 108.2 52.2 -66.8 -17.2 10.1 43.9 81.0 64 63 A L H XX S+ 0 0 3 -4,-1.1 3,-2.3 -3,-0.9 4,-1.5 0.689 82.3 114.6 -87.7 -19.6 13.0 41.3 81.3 65 64 A L T << S+ 0 0 41 -4,-1.1 4,-0.1 -3,-0.7 31,-0.1 -0.261 87.7 5.0 -59.8 130.4 14.8 43.3 83.9 66 65 A G T 34 S+ 0 0 85 2,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.323 122.6 72.2 79.4 -7.4 15.0 41.5 87.2 67 66 A V T <4 S+ 0 0 95 -3,-2.3 2,-0.2 -28,-0.0 -2,-0.2 0.609 93.2 47.4-112.9 -17.3 13.3 38.4 85.9 68 67 A V S < S- 0 0 16 -4,-1.5 -2,-0.3 -27,-0.1 -28,-0.2 -0.683 91.1-103.1-118.1 174.2 16.1 36.9 83.7 69 68 A K S S- 0 0 136 -27,-1.2 2,-0.3 -30,-0.5 -26,-0.2 0.890 96.1 -8.6 -67.4 -38.7 19.7 36.2 84.3 70 69 A D E -a 43 0A 77 -28,-1.1 -26,-3.5 2,-0.0 2,-0.4 -0.973 53.2-169.7-161.9 144.9 21.0 39.2 82.3 71 70 A V E +a 44 0A 11 -2,-0.3 26,-0.5 -28,-0.2 2,-0.4 -0.995 9.9 173.2-133.5 132.6 19.8 41.9 79.9 72 71 A L E -a 45 0A 12 -28,-2.3 -26,-3.1 -2,-0.4 2,-0.5 -0.998 16.1-152.7-134.9 136.4 21.9 44.3 77.9 73 72 A V E -ac 46 98A 0 24,-2.1 26,-2.6 -2,-0.4 2,-0.7 -0.932 0.5-161.4-104.6 128.9 20.8 46.8 75.3 74 73 A V E -ac 47 99A 1 -28,-2.6 -26,-2.2 -2,-0.5 2,-0.7 -0.948 13.4-155.2-101.1 111.9 23.1 47.9 72.5 75 74 A F E +a 48 0A 1 24,-2.9 -26,-0.2 -2,-0.7 -28,-0.1 -0.840 17.5 175.6 -91.3 118.4 21.6 51.1 71.1 76 75 A L + 0 0 17 -28,-2.6 -27,-0.2 -2,-0.7 -1,-0.1 0.445 45.1 89.7-104.5 -7.7 22.8 51.5 67.5 77 76 A G - 0 0 5 -29,-0.7 3,-0.1 1,-0.2 -2,-0.0 -0.176 62.6-141.1 -83.5-178.9 20.9 54.6 66.3 78 77 A K S S+ 0 0 166 1,-0.4 -1,-0.2 -2,-0.0 2,-0.1 0.671 83.6 21.6-101.4 -82.5 21.7 58.3 66.4 79 78 A K S S- 0 0 172 1,-0.0 2,-0.4 6,-0.0 -1,-0.4 -0.352 73.8-137.2 -88.8 162.3 18.4 60.0 67.2 80 79 A K - 0 0 42 -3,-0.1 -29,-0.2 -2,-0.1 -30,-0.1 -0.959 14.6-124.4-115.8 137.3 15.4 58.4 69.0 81 80 A T > - 0 0 35 -31,-2.1 4,-3.3 -2,-0.4 5,-0.2 -0.292 40.9 -98.6 -65.5 163.8 11.7 58.8 68.1 82 81 A P H > S+ 0 0 113 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.882 124.1 44.1 -57.1 -41.0 9.6 60.1 70.9 83 82 A D H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.851 114.3 49.3 -73.2 -32.3 8.3 56.7 71.9 84 83 A C H > S+ 0 0 0 2,-0.2 4,-2.5 -34,-0.2 5,-0.2 0.906 112.3 49.9 -69.4 -39.6 11.7 55.1 71.6 85 84 A E H X S+ 0 0 93 -4,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.934 110.5 49.3 -63.3 -45.6 13.0 58.0 73.7 86 85 A Y H X S+ 0 0 101 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.924 114.4 44.6 -57.8 -48.2 10.3 57.4 76.4 87 86 A N H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.827 110.4 53.4 -72.8 -30.6 10.9 53.7 76.6 88 87 A Y H X S+ 0 0 47 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.933 109.4 51.9 -59.9 -48.2 14.7 54.1 76.7 89 88 A G H X S+ 0 0 28 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.920 110.8 45.9 -56.8 -45.2 14.1 56.5 79.6 90 89 A L H X S+ 0 0 38 -4,-2.3 4,-2.4 2,-0.2 6,-0.2 0.930 109.5 54.6 -63.3 -45.3 12.0 53.9 81.4 91 90 A Y H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 -2,-0.2 0.954 113.2 42.9 -54.3 -47.3 14.5 51.1 80.7 92 91 A K H ><5S+ 0 0 97 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.898 111.8 52.6 -67.9 -41.1 17.2 53.3 82.4 93 92 A K H 3<5S+ 0 0 186 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.818 106.0 56.1 -61.3 -35.8 15.0 54.4 85.3 94 93 A F T 3<5S- 0 0 131 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.339 130.6 -97.0 -77.1 3.4 14.2 50.7 86.0 95 94 A G T < 5 + 0 0 64 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.557 69.6 157.7 96.4 11.1 18.0 50.1 86.3 96 95 A G < - 0 0 10 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.2 -0.368 36.4-130.8 -78.7 150.9 18.7 48.8 82.7 97 96 A K - 0 0 125 -26,-0.5 -24,-2.1 -2,-0.1 2,-0.4 -0.849 24.5-178.0-102.9 128.7 22.2 48.9 81.1 98 97 A V E -c 73 0A 24 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.975 4.9-174.0-122.7 138.5 22.7 50.4 77.6 99 98 A V E -c 74 0A 43 -26,-2.6 -24,-2.9 -2,-0.4 3,-0.0 -0.922 16.1-159.7-123.6 157.2 25.9 50.6 75.6 100 99 A E S S+ 0 0 119 -2,-0.3 2,-0.5 -26,-0.2 -26,-0.1 0.458 72.7 78.0-109.2 -8.7 26.3 52.3 72.3 101 100 A Q S S- 0 0 168 2,-0.0 2,-0.5 0, 0.0 -25,-0.1 -0.904 70.6-144.7-107.7 131.8 29.4 50.5 71.2 102 101 A F - 0 0 32 -2,-0.5 3,-0.1 -28,-0.1 -2,-0.0 -0.814 8.8-158.2 -99.6 123.9 29.2 47.0 69.8 103 102 A E > - 0 0 117 -2,-0.5 3,-2.8 1,-0.1 4,-0.5 -0.875 19.0-137.0-101.0 127.4 32.0 44.5 70.6 104 103 A P G > S+ 0 0 80 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.900 110.0 49.4 -46.1 -45.2 32.5 41.4 68.3 105 104 A S G > S+ 0 0 58 1,-0.2 3,-1.2 2,-0.1 4,-0.3 0.536 85.6 92.5 -67.8 -9.7 33.0 39.2 71.4 106 105 A I G X S+ 0 0 23 -3,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.890 75.1 64.6 -57.5 -38.1 29.8 40.7 73.0 107 106 A L G X S+ 0 0 7 -3,-0.8 3,-1.8 -4,-0.5 -1,-0.3 0.801 87.5 73.1 -55.2 -32.8 27.7 37.8 71.6 108 107 A N G < S+ 0 0 112 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.694 93.1 50.6 -55.9 -28.7 29.6 35.3 73.8 109 108 A E G < S+ 0 0 101 -3,-1.7 2,-0.3 -4,-0.3 -1,-0.3 0.258 103.9 70.2 -97.6 15.5 28.0 36.4 77.1 110 109 A F < - 0 0 4 -3,-1.8 -66,-0.2 -4,-0.1 3,-0.1 -0.903 52.1-166.1-135.4 153.0 24.4 36.1 75.9 111 110 A D S S+ 0 0 46 -68,-2.8 32,-1.8 -2,-0.3 2,-0.4 0.640 78.7 41.7-108.6 -31.2 22.1 33.2 74.9 112 111 A V E -bd 44 143A 0 -69,-2.2 -67,-3.1 30,-0.2 2,-0.5 -0.996 62.2-157.9-127.7 133.3 19.3 35.2 73.1 113 112 A V E -bd 45 144A 0 30,-2.9 32,-3.0 -2,-0.4 2,-0.6 -0.926 6.8-157.8-106.8 123.6 19.5 38.1 70.7 114 113 A V E -bd 46 145A 0 -69,-2.8 -67,-2.7 -2,-0.5 2,-0.9 -0.940 12.4-149.4-100.1 117.5 16.4 40.3 70.4 115 114 A D E +bd 47 146A 2 30,-3.2 32,-2.7 -2,-0.6 34,-0.2 -0.772 39.5 145.6 -95.7 98.0 16.6 42.0 67.0 116 115 A A E +b 48 0A 0 -69,-2.5 -67,-2.2 -2,-0.9 -59,-0.2 -0.178 36.4 111.3-121.4 37.2 14.8 45.4 67.3 117 116 A I S S+ 0 0 4 -69,-0.3 -66,-0.4 1,-0.3 -63,-0.4 0.993 85.2 0.6 -75.1 -67.0 17.1 47.3 64.9 118 117 A F + 0 0 43 31,-0.2 -1,-0.3 -65,-0.1 31,-0.3 -0.990 61.7 166.8-127.1 139.5 14.8 47.9 61.9 119 118 A G S > S- 0 0 6 -2,-0.4 3,-1.3 -3,-0.1 33,-0.2 0.169 73.4 -29.9-112.0-124.9 11.1 47.1 61.3 120 119 A T T 3 S+ 0 0 53 1,-0.3 36,-0.1 34,-0.1 -117,-0.1 0.523 127.2 73.2 -76.9 -7.0 8.8 48.4 58.6 121 120 A G T 3 + 0 0 55 2,-0.0 -1,-0.3 33,-0.0 33,-0.1 0.404 64.5 128.4 -87.9 2.9 10.8 51.7 58.6 122 121 A L < - 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0 0 3 -4,-0.4 2,-0.5 -78,-0.1 -1,-0.1 -0.112 13.6-103.9 88.6 161.1 3.7 21.1 22.8 321 320 A N + 0 0 89 -2,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.902 67.4 115.8-130.6 92.2 4.6 24.5 21.7 322 321 A N S > S- 0 0 51 -2,-0.5 4,-2.9 1,-0.0 5,-0.1 -0.909 75.3 -88.4-149.0 175.4 4.7 24.8 17.9 323 322 A E H > S+ 0 0 110 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.817 121.6 50.8 -66.8 -34.9 2.7 26.8 15.3 324 323 A H H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 112.7 48.3 -70.7 -37.8 -0.2 24.4 14.8 325 324 A V H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.966 109.4 53.7 -61.8 -48.4 -0.7 24.1 18.5 326 325 A R H X S+ 0 0 83 -4,-2.9 4,-2.0 1,-0.2 5,-0.2 0.903 110.4 46.0 -54.9 -46.9 -0.6 27.9 18.7 327 326 A E H X S+ 0 0 82 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.919 114.9 47.1 -62.7 -47.8 -3.4 28.3 16.1 328 327 A F H X S+ 0 0 0 -4,-2.1 4,-2.9 -33,-0.2 5,-0.3 0.939 111.3 49.7 -56.3 -54.2 -5.6 25.6 17.6 329 328 A V H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.949 115.3 42.9 -56.2 -48.9 -5.3 27.0 21.2 330 329 A N H X S+ 0 0 19 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.909 116.2 45.6 -67.4 -45.6 -6.2 30.5 20.3 331 330 A E H X S+ 0 0 75 -4,-2.1 4,-1.6 -5,-0.2 5,-0.2 0.944 115.4 49.5 -64.3 -42.6 -9.0 29.7 17.9 332 331 A F H >X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.3 3,-0.5 0.958 111.9 45.5 -59.3 -52.6 -10.4 27.3 20.4 333 332 A L H 3< S+ 0 0 1 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.839 110.3 56.7 -63.9 -27.9 -10.3 29.7 23.4 334 333 A K H 3< S+ 0 0 101 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.850 117.1 33.7 -70.9 -33.4 -11.8 32.4 21.3 335 334 A T H << S+ 0 0 66 -4,-1.6 2,-0.3 -3,-0.5 -2,-0.2 0.759 93.0 102.1 -95.9 -26.4 -14.8 30.2 20.5 336 335 A L < - 0 0 8 -4,-2.8 2,-0.3 -5,-0.2 24,-0.3 -0.425 48.6-168.3 -64.7 122.1 -15.2 28.3 23.7 337 336 A E + 0 0 162 -2,-0.3 -1,-0.1 22,-0.1 -4,-0.1 -0.436 58.4 86.2-108.4 55.2 -18.0 29.6 25.9 338 337 A K S S- 0 0 59 -2,-0.3 -26,-0.1 23,-0.1 22,-0.1 -0.955 93.4 -79.9-138.1 157.9 -17.2 27.7 29.1 339 338 A P - 0 0 31 0, 0.0 -26,-2.3 0, 0.0 2,-0.4 -0.313 51.6-153.3 -53.1 139.0 -14.8 28.5 31.9 340 339 A A E -mn 313 362C 1 21,-1.6 23,-2.2 -28,-0.2 2,-0.5 -0.967 16.8-156.1-122.0 137.8 -11.2 27.6 30.9 341 340 A V E -mn 314 363C 0 -28,-2.4 -26,-2.7 -2,-0.4 2,-0.6 -0.979 21.7-162.5-109.2 117.6 -8.2 26.6 33.0 342 341 A I E +mn 315 364C 0 21,-3.4 23,-2.1 -2,-0.5 2,-0.3 -0.924 19.6 157.1-115.7 116.2 -5.2 27.5 30.9 343 342 A D >> - 0 0 3 -28,-2.2 3,-2.0 -2,-0.6 4,-0.7 -0.853 42.6 -16.1-131.8 160.2 -1.8 25.9 31.8 344 343 A A H >> S+ 0 0 10 21,-0.4 4,-2.0 1,-0.3 3,-0.9 -0.009 126.0 10.7 61.3-128.0 1.7 25.0 30.4 345 344 A D H 3> S+ 0 0 20 -29,-1.1 4,-0.9 1,-0.3 -1,-0.3 0.764 124.9 62.1 -66.5 -21.0 2.0 25.0 26.7 346 345 A A H <4 S+ 0 0 0 -3,-2.0 4,-0.4 1,-0.2 3,-0.3 0.879 107.8 45.4 -69.0 -33.8 -1.4 26.7 26.2 347 346 A I H X< S+ 0 0 2 -3,-0.9 3,-1.3 -4,-0.7 -2,-0.2 0.931 107.3 58.8 -68.0 -46.3 0.0 29.7 28.1 348 347 A N H 3< S+ 0 0 43 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.660 117.2 31.4 -57.6 -24.9 3.2 29.5 26.1 349 348 A V T 3< S+ 0 0 0 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.321 91.2 130.6-108.5 3.2 1.3 30.0 22.8 350 349 A L < - 0 0 15 -3,-1.3 2,-0.7 -4,-0.4 -3,-0.1 -0.307 49.7-148.9 -65.7 132.3 -1.5 32.2 24.3 351 350 A D >> - 0 0 75 -25,-0.1 3,-1.6 1,-0.1 4,-0.6 -0.926 13.0-149.5 -92.8 117.1 -2.4 35.4 22.5 352 351 A T H >> S+ 0 0 37 -2,-0.7 4,-1.3 1,-0.3 3,-0.6 0.745 90.0 72.6 -70.6 -18.5 -3.5 37.5 25.4 353 352 A S H 3> S+ 0 0 60 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.852 90.0 62.5 -54.7 -36.1 -6.0 39.5 23.2 354 353 A V H <> S+ 0 0 5 -3,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.864 99.2 52.4 -58.5 -40.0 -8.0 36.3 23.2 355 354 A L H << S+ 0 0 6 -4,-0.6 3,-0.3 -3,-0.6 -1,-0.2 0.871 106.7 54.6 -61.8 -37.9 -8.5 36.6 27.0 356 355 A K H < S+ 0 0 102 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.828 110.9 43.4 -65.9 -34.2 -9.7 40.1 26.6 357 356 A E H < S+ 0 0 96 -4,-1.5 -1,-0.2 -3,-0.1 2,-0.2 0.613 89.2 105.3 -91.8 -9.8 -12.4 39.1 24.1 358 357 A R < - 0 0 20 -4,-1.1 -24,-0.1 -3,-0.3 -21,-0.1 -0.507 51.1-164.6 -70.0 136.4 -13.7 36.1 25.9 359 358 A K S S+ 0 0 198 -2,-0.2 -1,-0.2 2,-0.1 -22,-0.1 0.801 72.0 75.7 -84.3 -37.4 -17.0 36.4 27.7 360 359 A S S S- 0 0 28 -24,-0.3 -22,-0.1 1,-0.1 -2,-0.1 -0.383 91.7 -99.8 -72.4 155.0 -16.4 33.3 29.8 361 360 A P - 0 0 55 0, 0.0 -21,-1.6 0, 0.0 2,-0.3 -0.150 35.3-165.9 -71.9 164.9 -14.0 33.2 32.8 362 361 A A E -n 340 0C 6 35,-0.3 37,-2.0 -23,-0.2 2,-0.4 -0.985 14.5-156.0-147.3 149.4 -10.5 31.8 32.8 363 362 A V E -no 341 399C 0 -23,-2.2 -21,-3.4 -2,-0.3 2,-0.4 -0.996 13.8-158.1-120.4 134.5 -7.8 30.8 35.2 364 363 A L E -no 342 400C 0 35,-2.9 37,-2.6 -2,-0.4 -21,-0.2 -0.927 4.8-168.0-112.0 133.5 -4.2 30.9 34.1 365 364 A T + 0 0 0 -23,-2.1 -21,-0.4 -2,-0.4 37,-0.1 -0.401 21.4 162.1-119.6 59.5 -1.6 28.8 36.0 366 365 A P - 0 0 0 0, 0.0 37,-2.4 0, 0.0 -2,-0.0 -0.440 33.7-139.3 -75.0 147.2 1.9 29.9 35.0 367 366 A H > - 0 0 83 35,-0.2 4,-2.6 -2,-0.1 3,-0.5 -0.496 46.0 -94.8 -78.9 165.6 5.2 29.2 36.7 368 367 A P H > S+ 0 0 14 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.811 126.3 57.9 -61.6 -30.0 7.5 32.3 36.6 369 368 A G H > S+ 0 0 25 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.906 112.4 41.2 -62.5 -39.4 9.3 31.0 33.5 370 369 A E H > S+ 0 0 19 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.875 114.5 50.8 -76.6 -40.3 6.0 30.9 31.7 371 370 A M H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.902 107.8 54.9 -60.9 -43.2 4.7 34.2 33.1 372 371 A A H X>S+ 0 0 5 -4,-2.6 5,-2.0 -5,-0.2 4,-1.1 0.951 111.4 42.9 -55.5 -49.9 8.0 35.8 32.1 373 372 A R H <5S+ 0 0 199 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.891 112.0 56.3 -67.3 -33.5 7.5 34.7 28.4 374 373 A L H <5S+ 0 0 27 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.937 119.8 27.9 -64.5 -46.9 3.8 35.6 28.5 375 374 A V H <5S- 0 0 33 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.415 109.2-118.3 -98.7 2.7 4.4 39.3 29.5 376 375 A K T <5S+ 0 0 187 -4,-1.1 2,-0.2 -5,-0.2 -3,-0.2 0.915 72.8 119.7 63.3 44.7 7.9 39.5 27.9 377 376 A K < - 0 0 111 -5,-2.0 -1,-0.2 -6,-0.2 2,-0.1 -0.780 69.3 -87.4-124.8 175.3 9.8 40.3 31.0 378 377 A T >> - 0 0 80 -2,-0.2 4,-1.0 1,-0.1 3,-0.5 -0.462 34.8-115.8 -81.3 153.9 12.7 38.4 32.8 379 378 A V H >> S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.893 116.1 55.8 -49.4 -48.8 11.9 35.7 35.4 380 379 A G H 34 S+ 0 0 52 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.769 104.8 52.2 -64.3 -24.0 13.5 37.8 38.1 381 380 A D H <4 S+ 0 0 102 -3,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.746 117.3 36.7 -82.0 -22.0 11.2 40.7 37.4 382 381 A V H X< S+ 0 0 1 -4,-1.0 3,-2.4 -3,-0.6 -2,-0.2 0.728 87.9 108.6 -99.0 -25.0 7.9 38.6 37.6 383 382 A K T 3< S- 0 0 89 -4,-2.5 3,-0.1 1,-0.3 21,-0.1 -0.294 102.8 -10.7 -59.8 126.6 8.9 36.2 40.4 384 383 A Y T 3 S+ 0 0 29 1,-0.2 2,-1.5 22,-0.2 -1,-0.3 0.662 93.8 143.2 57.3 19.7 6.9 37.2 43.6 385 384 A N <> + 0 0 56 -3,-2.4 4,-2.3 1,-0.2 -1,-0.2 -0.672 19.2 170.8 -92.6 83.7 5.8 40.3 41.8 386 385 A Y H > S+ 0 0 21 -2,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.816 73.2 57.1 -71.1 -26.4 2.2 40.4 43.2 387 386 A E H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.902 108.2 47.4 -68.9 -39.2 1.5 43.9 41.7 388 387 A L H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.945 111.4 51.5 -64.8 -46.1 2.3 42.7 38.2 389 388 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.920 111.5 47.5 -53.1 -46.8 0.1 39.6 38.8 390 389 A E H X S+ 0 0 23 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.899 111.8 48.8 -60.7 -46.7 -2.8 41.9 40.0 391 390 A E H X S+ 0 0 112 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.907 112.3 49.8 -63.6 -42.0 -2.4 44.3 37.0 392 391 A F H X S+ 0 0 14 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.936 111.8 46.9 -60.3 -50.2 -2.4 41.3 34.6 393 392 A A H X>S+ 0 0 0 -4,-2.7 5,-1.6 -5,-0.2 4,-0.7 0.909 114.8 47.1 -58.5 -43.2 -5.5 39.7 36.1 394 393 A K H ><5S+ 0 0 124 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.959 113.4 47.0 -67.4 -47.7 -7.4 43.0 36.1 395 394 A E H 3<5S+ 0 0 129 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.814 120.9 36.9 -63.9 -31.3 -6.4 43.9 32.5 396 395 A N H 3<5S- 0 0 4 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.350 104.2-124.4-107.4 5.3 -7.3 40.4 31.1 397 396 A D T <<5S+ 0 0 123 -3,-0.8 -35,-0.3 -4,-0.7 2,-0.2 0.874 70.2 111.7 56.5 44.3 -10.3 39.7 33.3 398 397 A C S - 0 0 44 -2,-0.2 3,-1.7 48,-0.1 4,-0.2 -0.906 46.1 -72.3-157.6-172.6 7.5 21.7 50.2 423 422 A T G > S+ 0 0 82 1,-0.3 3,-1.2 -2,-0.3 -18,-0.0 0.536 112.4 83.3 -73.8 -3.0 10.2 21.0 47.6 424 423 A G G 3 S+ 0 0 3 1,-0.2 -1,-0.3 50,-0.0 6,-0.1 0.780 87.1 58.7 -67.0 -19.7 8.6 17.7 46.5 425 424 A L G < S+ 0 0 30 -3,-1.7 2,-2.0 1,-0.2 -1,-0.2 0.613 80.8 89.3 -80.0 -12.5 6.4 19.9 44.3 426 425 A S S < S+ 0 0 101 -3,-1.2 2,-0.3 -4,-0.2 -1,-0.2 -0.405 74.4 89.5 -80.9 63.3 9.6 21.3 42.5 427 426 A K S > S- 0 0 81 -2,-2.0 3,-1.8 -3,-0.0 4,-0.3 -0.981 89.7 -84.7-162.0 140.9 9.4 18.5 40.0 428 427 A G T 3 S+ 0 0 76 -2,-0.3 47,-0.4 1,-0.2 -2,-0.0 -0.217 109.6 32.9 -56.5 137.6 7.7 18.0 36.7 429 428 A G T 3> S+ 0 0 10 45,-0.1 4,-1.9 46,-0.1 -1,-0.2 -0.021 87.0 96.1 110.1 -28.3 4.1 16.8 36.9 430 429 A S H <> S+ 0 0 19 -3,-1.8 4,-1.8 1,-0.2 -2,-0.1 0.893 87.4 49.8 -66.6 -36.7 3.1 18.6 40.1 431 430 A G H > S+ 0 0 12 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.836 104.0 57.5 -63.4 -38.8 1.7 21.5 38.0 432 431 A D H > S+ 0 0 29 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.910 106.4 50.6 -64.2 -39.5 -0.3 19.2 35.8 433 432 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.927 107.3 52.9 -60.8 -49.0 -2.0 17.8 38.8 434 433 A L H X S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.901 103.5 57.1 -57.1 -40.3 -2.9 21.3 40.1 435 434 A T H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.925 108.4 47.2 -55.0 -48.1 -4.5 22.2 36.8 436 435 A G H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.871 109.7 54.1 -57.8 -44.2 -6.9 19.2 37.1 437 436 A M H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.925 109.1 47.2 -58.7 -45.3 -7.7 20.2 40.7 438 437 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.944 112.6 47.9 -62.4 -49.3 -8.7 23.7 39.8 439 438 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.877 110.7 55.9 -59.7 -38.3 -10.9 22.5 36.9 440 439 A G H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.897 107.2 45.2 -61.2 -43.3 -12.4 20.0 39.2 441 440 A F H <>S+ 0 0 2 -4,-2.1 5,-2.5 2,-0.2 4,-0.2 0.862 111.5 53.4 -76.1 -31.2 -13.5 22.5 41.8 442 441 A I H ><5S+ 0 0 18 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.951 106.0 53.4 -62.0 -45.3 -14.9 24.8 39.1 443 442 A A H 3<5S+ 0 0 11 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.823 105.1 56.0 -57.9 -31.8 -17.0 21.9 37.8 444 443 A Q T 3<5S- 0 0 23 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.469 130.6 -90.2 -82.6 0.7 -18.3 21.4 41.3 445 444 A G T < 5S+ 0 0 63 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.405 80.1 133.6 110.4 -2.6 -19.6 25.0 41.5 446 445 A L < - 0 0 18 -5,-2.5 -1,-0.3 1,-0.1 -2,-0.0 -0.530 59.6-110.6 -77.6 150.4 -16.7 27.1 43.0 447 446 A S > - 0 0 47 -2,-0.2 4,-3.4 1,-0.1 5,-0.3 -0.293 35.5-102.0 -65.1 159.0 -15.9 30.4 41.2 448 447 A P H > S+ 0 0 28 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.901 124.9 47.5 -50.9 -39.2 -12.6 30.4 39.4 449 448 A L H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.941 115.4 45.2 -70.8 -45.0 -11.0 32.4 42.3 450 449 A E H > S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.918 111.9 51.2 -61.4 -46.0 -12.4 30.0 44.9 451 450 A A H X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.900 112.7 47.0 -59.1 -40.6 -11.4 26.9 43.0 452 451 A S H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 5,-0.3 0.924 110.5 51.8 -70.1 -38.8 -7.9 28.3 42.7 453 452 A T H X S+ 0 0 3 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.948 114.4 42.2 -64.9 -49.3 -7.6 29.2 46.4 454 453 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.903 114.2 52.0 -62.5 -43.8 -8.8 25.7 47.6 455 454 A S H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.3 5,-0.2 0.917 107.8 48.0 -66.4 -43.9 -6.7 23.9 45.1 456 455 A V H X S+ 0 0 4 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.920 115.0 48.5 -67.9 -35.0 -3.3 25.5 45.8 457 456 A Y H X S+ 0 0 18 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 0.950 115.5 41.3 -64.6 -52.4 -3.8 25.0 49.5 458 457 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.862 112.2 55.4 -68.3 -37.0 -4.8 21.3 49.2 459 458 A H H X S+ 0 0 15 -4,-2.9 4,-1.4 -5,-0.2 -1,-0.2 0.914 113.3 42.1 -60.3 -45.0 -2.1 20.6 46.6 460 459 A G H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 -39,-0.5 0.903 114.0 51.5 -70.0 -42.1 0.6 21.9 49.0 461 460 A F H X S+ 0 0 20 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.906 105.6 55.4 -64.1 -41.7 -0.9 20.2 52.0 462 461 A A H >< S+ 0 0 0 -4,-2.9 3,-0.9 1,-0.2 4,-0.3 0.902 105.7 53.1 -56.0 -41.5 -1.0 16.9 50.1 463 462 A A H >< S+ 0 0 0 -4,-1.4 3,-1.5 1,-0.3 -2,-0.2 0.916 105.4 54.4 -60.7 -39.3 2.8 17.2 49.5 464 463 A E H 3< S+ 0 0 90 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.661 99.9 60.8 -69.3 -17.4 3.4 17.8 53.2 465 464 A L T << S+ 0 0 33 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.488 72.7 122.2 -90.9 -1.6 1.6 14.5 54.1 466 465 A F < - 0 0 36 -3,-1.5 4,-0.1 -4,-0.3 7,-0.1 -0.424 59.0-144.5 -61.5 132.3 4.1 12.4 52.1 467 466 A E S S+ 0 0 103 -2,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.715 73.7 46.6 -75.2 -26.4 5.5 10.0 54.6 468 467 A Q S S- 0 0 145 1,-0.2 2,-0.1 2,-0.0 5,-0.1 -0.278 112.3 -40.6-107.4-164.4 9.1 9.7 53.3 469 468 A D > - 0 0 90 1,-0.2 3,-2.1 -2,-0.1 -1,-0.2 -0.376 53.2-131.9 -67.0 135.1 11.6 12.4 52.2 470 469 A E G > S+ 0 0 67 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.781 101.6 67.6 -58.9 -29.3 10.0 15.1 50.2 471 470 A R G 3 S+ 0 0 186 1,-0.3 -1,-0.3 -46,-0.0 -2,-0.1 0.741 98.0 54.7 -69.8 -15.3 12.6 15.1 47.4 472 471 A G G < S+ 0 0 44 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.403 79.9 117.6 -89.9 -2.7 11.3 11.6 46.5 473 472 A L < - 0 0 2 -3,-1.8 2,-0.3 -4,-0.2 -10,-0.0 -0.455 44.7-170.9 -66.9 131.2 7.6 12.7 46.1 474 473 A T >> - 0 0 62 -2,-0.2 4,-2.2 1,-0.1 3,-0.9 -0.867 37.9-102.1-120.6 166.0 6.4 12.2 42.6 475 474 A A H 3> S+ 0 0 13 -47,-0.4 4,-2.1 -2,-0.3 5,-0.1 0.818 119.2 56.2 -55.5 -33.4 3.2 13.4 40.9 476 475 A S H 3> S+ 0 0 49 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.878 109.4 45.8 -66.5 -35.2 1.6 9.9 41.2 477 476 A E H <> S+ 0 0 69 -3,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.886 107.5 58.7 -77.5 -36.0 2.1 9.8 44.9 478 477 A L H >X S+ 0 0 2 -4,-2.2 4,-0.9 1,-0.2 3,-0.5 0.919 102.6 53.6 -54.1 -46.7 0.8 13.4 45.2 479 478 A L H >< S+ 0 0 2 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.910 105.3 53.3 -56.4 -45.3 -2.5 12.2 43.6 480 479 A R H 3< S+ 0 0 103 -4,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.813 108.2 52.1 -59.3 -30.8 -2.9 9.4 46.3 481 480 A L H S+ 0 0 56 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.809 110.3 52.5 -67.7 -27.1 -8.1 12.7 49.6 484 483 A E H > S+ 0 0 53 -4,-0.4 4,-2.8 -3,-0.3 5,-0.2 0.892 107.8 51.5 -67.6 -41.0 -6.1 12.5 52.9 485 484 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.930 110.4 49.4 -56.3 -47.3 -5.4 16.3 52.6 486 485 A I H X S+ 0 0 34 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.953 110.9 48.9 -59.5 -47.4 -9.2 16.8 52.2 487 486 A R H < S+ 0 0 143 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.929 112.8 47.5 -59.3 -48.0 -10.0 14.6 55.2 488 487 A R H < S+ 0 0 115 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.856 106.3 57.6 -65.6 -32.6 -7.5 16.4 57.4 489 488 A L H < 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.906 360.0 360.0 -61.8 -40.3 -8.8 19.8 56.3 490 489 A K < 0 0 170 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.717 360.0 360.0 -84.7 360.0 -12.2 18.7 57.6 491 !* 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 0.0 492 2 B A 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -27.4 -6.0 32.4 70.4 493 3 B W + 0 0 179 1,-0.2 -297,-0.1 -298,-0.0 3,-0.1 0.930 360.0 25.3 -59.7 -45.9 -6.7 35.9 72.0 494 4 B L S S+ 0 0 33 1,-0.2 -298,-2.8 -299,-0.1 2,-0.4 0.882 123.2 39.5 -85.3 -42.7 -3.0 37.1 71.9 495 5 B F E -G 195 0A 29 -300,-0.2 2,-0.3 -302,-0.0 -300,-0.2 -0.924 46.7-173.3-123.9 137.2 -1.4 35.0 69.0 496 6 B E E G 194 0A 101 -302,-2.3 -302,-3.0 -2,-0.4 -3,-0.0 -0.881 360.0 360.0-110.1 147.9 -2.3 33.8 65.5 497 7 B A 0 0 109 -2,-0.3 -304,-0.2 -304,-0.2 -306,-0.0 -0.722 360.0 360.0-104.2 360.0 0.3 31.3 63.8