==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 05-NOV-09 3A9R . COMPND 2 MOLECULE: D-ARABINOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS PALLIDUS; . AUTHOR K.TAKEDA,H.YOSHIDA,K.IZUMORI,S.KAMITORI . 1767 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1243 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 150 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 151 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.3 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 . 138 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 171 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 541 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.6 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 5 4 0 9 8 0 6 0 0 9 3 0 0 2 0 3 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 3 6 3 9 3 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 . 6 5 7 12 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 3 3 3 0 0 3 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 2 A A 0 0 22 0, 0.0 9,-2.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 141.0 -28.3 20.4 -11.1 2 3 A K B -A 9 0A 113 7,-0.3 7,-0.3 1,-0.1 5,-0.1 -0.492 360.0-114.9 -71.6 138.5 -27.3 17.5 -13.3 3 4 A D - 0 0 2 5,-2.0 -1,-0.1 3,-0.2 5,-0.1 -0.657 22.6-144.9 -74.8 123.4 -23.5 17.1 -13.8 4 5 A P S S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.654 90.9 21.3 -64.9 -16.8 -22.9 17.9 -17.5 5 6 A R S S+ 0 0 46 1,-0.1 2,-0.2 2,-0.1 292,-0.1 0.686 116.1 55.8-121.4 -32.5 -20.1 15.4 -17.8 6 7 A Y S S- 0 0 10 2,-0.1 -3,-0.2 1,-0.1 -1,-0.1 -0.672 88.7 -86.3-109.8 161.7 -20.3 12.8 -15.0 7 8 A V S S+ 0 0 114 -2,-0.2 -1,-0.1 171,-0.1 2,-0.1 -0.316 91.7 8.7 -60.5 141.1 -22.8 10.4 -13.7 8 9 A G S S- 0 0 34 -5,-0.1 -5,-2.0 -4,-0.0 2,-0.2 -0.294 96.2 -50.8 86.8-170.7 -25.2 11.9 -11.2 9 10 A N B -A 2 0A 106 -7,-0.3 -7,-0.3 1,-0.1 3,-0.1 -0.675 57.4 -92.1-106.5 161.3 -25.9 15.4 -10.0 10 11 A L - 0 0 2 -9,-2.9 -1,-0.1 -2,-0.2 165,-0.0 -0.426 56.3 -91.9 -69.8 144.2 -23.6 18.1 -8.7 11 12 A P - 0 0 15 0, 0.0 47,-0.4 0, 0.0 2,-0.3 -0.260 41.7-148.6 -58.2 141.3 -23.1 18.1 -4.9 12 13 A K E -b 84 0B 36 71,-1.9 73,-3.0 67,-0.1 74,-1.1 -0.739 10.1-124.4-109.9 161.4 -25.5 20.3 -2.9 13 14 A I E -bc 86 59B 1 45,-2.2 47,-2.8 -2,-0.3 2,-0.4 -0.924 21.4-149.7-108.0 123.8 -24.9 22.2 0.3 14 15 A G E -bc 87 60B 0 72,-3.2 74,-2.7 -2,-0.5 2,-0.5 -0.787 3.8-153.0 -96.2 134.3 -27.3 21.5 3.2 15 16 A I E -bc 88 61B 0 45,-3.4 47,-2.0 -2,-0.4 74,-0.2 -0.920 4.6-160.8-109.0 124.7 -28.1 24.1 5.7 16 17 A R E -b 89 0B 5 72,-3.1 74,-2.8 -2,-0.5 2,-1.0 -0.877 1.7-161.0-108.6 103.7 -29.1 23.0 9.2 17 18 A P E -b 90 0B 0 0, 0.0 49,-3.0 0, 0.0 2,-0.2 -0.727 16.9-166.2 -85.6 102.5 -30.9 25.7 11.3 18 19 A T B +f 66 0C 0 72,-2.0 75,-0.3 -2,-1.0 2,-0.3 -0.611 9.5 176.8 -91.3 152.9 -30.7 24.5 14.9 19 20 A I - 0 0 0 47,-2.3 77,-0.5 -2,-0.2 2,-0.4 -0.925 40.4 -84.0-148.0 166.5 -32.7 25.9 17.7 20 21 A D - 0 0 1 -2,-0.3 75,-0.1 75,-0.2 10,-0.1 -0.650 37.1-144.6 -74.4 127.0 -33.5 25.6 21.4 21 22 A G + 0 0 21 46,-0.4 2,-0.2 -2,-0.4 -1,-0.1 0.661 64.0 112.7 -69.8 -15.7 -36.1 22.9 21.7 22 23 A R > - 0 0 5 1,-0.1 5,-2.8 5,-0.1 6,-0.2 -0.378 45.4-173.5 -63.0 127.3 -37.9 24.6 24.6 23 24 A R T > 5 + 0 0 124 3,-0.2 3,-1.3 -2,-0.2 4,-0.1 0.177 52.1 95.3 -95.1-142.5 -41.4 25.9 23.7 24 25 A K T 3 5S- 0 0 146 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.845 126.1 -39.0 59.9 29.9 -43.5 27.9 26.1 25 26 A G T 3>5S+ 0 0 27 -3,-0.0 4,-1.4 0, 0.0 -1,-0.3 -0.122 126.7 84.0 116.3 -40.4 -42.1 31.0 24.3 26 27 A V T <45S+ 0 0 0 -3,-1.3 4,-0.5 1596,-0.2 3,-0.4 0.989 97.9 34.5 -63.9 -65.0 -38.4 30.3 23.6 27 28 A R T >> S+ 0 0 13 -3,-1.9 4,-2.5 -4,-0.5 5,-0.2 0.599 83.9 86.8-115.5 -14.5 -36.5 32.1 17.5 31 32 A E H X S+ 0 0 74 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.901 93.1 46.1 -55.2 -46.3 -37.8 30.2 14.5 32 33 A E H > S+ 0 0 147 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.938 114.4 47.2 -63.8 -47.4 -37.9 33.2 12.1 33 34 A T H > S+ 0 0 40 -4,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.884 114.0 48.8 -61.0 -39.8 -34.5 34.5 13.1 34 35 A T H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 3,-0.2 0.926 112.2 46.1 -67.6 -46.7 -33.0 31.0 12.8 35 36 A M H X S+ 0 0 32 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.863 108.3 58.9 -64.3 -33.9 -34.5 30.3 9.4 36 37 A N H X S+ 0 0 55 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.860 103.2 52.0 -62.7 -36.0 -33.3 33.8 8.3 37 38 A M H X S+ 0 0 13 -4,-1.4 4,-2.2 -3,-0.2 -1,-0.2 0.931 109.6 49.4 -64.7 -44.8 -29.8 32.8 9.1 38 39 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.910 112.2 47.9 -59.7 -44.5 -30.1 29.7 6.9 39 40 A K H X S+ 0 0 113 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.877 110.0 52.1 -64.7 -40.0 -31.5 31.8 4.1 40 41 A A H X S+ 0 0 23 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.889 110.8 47.4 -65.0 -40.1 -28.8 34.4 4.4 41 42 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.912 111.0 51.5 -67.4 -41.6 -26.1 31.7 4.2 42 43 A A H X S+ 0 0 8 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.938 111.4 47.7 -59.8 -46.5 -27.8 30.1 1.2 43 44 A K H X S+ 0 0 119 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.913 110.9 51.6 -60.4 -45.2 -27.9 33.5 -0.6 44 45 A L H X S+ 0 0 13 -4,-2.3 4,-0.7 1,-0.2 3,-0.2 0.920 112.7 44.9 -58.3 -47.0 -24.2 34.2 0.2 45 46 A L H >X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 3,-0.6 0.882 108.7 55.3 -67.9 -38.6 -23.1 30.8 -1.2 46 47 A E H 3< S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.785 112.7 44.5 -65.5 -25.2 -25.2 31.0 -4.3 47 48 A E H 3< S+ 0 0 105 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.568 126.0 29.1 -94.8 -9.5 -23.6 34.3 -5.1 48 49 A N H << S+ 0 0 66 -4,-0.7 2,-0.5 -3,-0.6 -2,-0.2 0.563 108.2 63.3-126.4 -14.2 -20.0 33.3 -4.3 49 50 A V < - 0 0 2 -4,-2.8 8,-2.9 -5,-0.1 2,-0.3 -0.970 60.1-178.2-121.6 125.0 -19.6 29.5 -5.0 50 51 A F B -G 56 0D 78 -2,-0.5 5,-0.1 6,-0.3 -3,-0.0 -0.931 26.4-119.4-126.5 147.2 -20.0 28.0 -8.4 51 52 A Y > - 0 0 1 4,-3.3 3,-2.1 -2,-0.3 6,-0.1 -0.205 48.1 -93.0 -68.7 170.0 -19.9 24.6 -10.0 52 53 A Y T 3 S+ 0 0 8 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.685 126.3 56.4 -63.4 -16.9 -17.3 24.0 -12.7 53 54 A N T 3 S- 0 0 33 2,-0.1 -1,-0.3 366,-0.1 -2,-0.1 0.286 122.0-103.2 -96.5 9.0 -19.7 24.9 -15.4 54 55 A G S < S+ 0 0 20 -3,-2.1 -2,-0.1 1,-0.3 3,-0.1 0.347 77.7 135.6 89.6 -9.3 -20.4 28.3 -13.9 55 56 A Q - 0 0 79 1,-0.1 -4,-3.3 -5,-0.1 -1,-0.3 -0.526 63.3-107.1 -72.6 137.9 -23.8 27.4 -12.4 56 57 A P B -G 50 0D 60 0, 0.0 -6,-0.3 0, 0.0 -10,-0.1 -0.368 41.8 -96.0 -65.5 146.6 -24.2 28.7 -8.8 57 58 A V - 0 0 2 -8,-2.9 2,-0.4 -12,-0.4 -8,-0.1 -0.264 39.6-127.4 -59.6 148.0 -24.0 26.0 -6.1 58 59 A E - 0 0 61 -47,-0.4 -45,-2.2 -3,-0.1 2,-0.3 -0.870 21.4-156.9-104.9 134.3 -27.4 24.8 -5.0 59 60 A C E -c 13 0B 27 -2,-0.4 2,-0.4 -47,-0.2 -45,-0.2 -0.793 6.0-155.8-110.4 152.5 -28.3 24.7 -1.3 60 61 A V E -c 14 0B 9 -47,-2.8 -45,-3.4 -2,-0.3 2,-0.4 -0.996 9.5-158.3-126.5 126.5 -30.9 22.7 0.6 61 62 A I E -c 15 0B 41 -2,-0.4 -45,-0.2 -47,-0.2 -47,-0.0 -0.881 30.1-101.7-107.6 140.0 -32.4 23.9 3.9 62 63 A A - 0 0 6 -47,-2.0 13,-0.1 -2,-0.4 -1,-0.1 -0.198 29.3-120.8 -54.5 147.9 -33.9 21.6 6.4 63 64 A D S S+ 0 0 126 8,-0.1 2,-0.3 11,-0.1 -1,-0.1 0.739 92.6 15.4 -65.0 -24.0 -37.7 21.6 6.4 64 65 A T S S- 0 0 61 7,-0.2 2,-0.1 -47,-0.0 -2,-0.1 -0.902 93.7 -86.2-141.9 169.0 -37.9 22.7 10.0 65 66 A C - 0 0 5 -2,-0.3 2,-0.7 -49,-0.1 -47,-0.2 -0.446 47.3-121.5 -71.6 156.5 -35.6 24.2 12.6 66 67 A I B +f 18 0C 0 -49,-3.0 -47,-2.3 1,-0.1 -45,-0.1 -0.874 49.3 148.8-109.3 104.6 -33.7 21.4 14.4 67 68 A G + 0 0 4 -2,-0.7 -46,-0.4 -49,-0.2 2,-0.3 0.427 68.0 8.1-111.6 -1.7 -34.2 21.4 18.2 68 69 A G S > S- 0 0 13 31,-0.1 4,-1.7 -48,-0.1 5,-0.1 -0.932 88.6 -78.3-161.2-176.6 -33.8 17.7 18.8 69 70 A V H > S+ 0 0 103 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.832 119.0 58.7 -65.2 -35.6 -32.9 14.3 17.4 70 71 A K H > S+ 0 0 145 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.945 111.7 40.8 -60.2 -47.8 -36.1 13.7 15.5 71 72 A E H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.819 112.6 55.8 -70.4 -30.4 -35.7 16.9 13.5 72 73 A A H X S+ 0 0 9 -4,-1.7 4,-2.3 27,-0.3 -2,-0.2 0.918 108.5 48.2 -66.9 -41.0 -32.0 16.1 13.1 73 74 A A H X S+ 0 0 57 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.876 109.2 52.9 -65.9 -38.4 -32.9 12.8 11.6 74 75 A E H X S+ 0 0 109 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.902 109.4 48.9 -64.3 -40.2 -35.4 14.4 9.3 75 76 A A H X S+ 0 0 3 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.933 110.3 50.8 -64.6 -44.7 -32.7 16.8 8.1 76 77 A A H X S+ 0 0 53 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.908 111.9 48.4 -58.2 -42.9 -30.3 13.9 7.5 77 78 A E H X S+ 0 0 95 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.918 112.9 46.4 -64.0 -46.6 -33.0 12.0 5.5 78 79 A K H X S+ 0 0 49 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.922 113.3 49.6 -63.1 -44.6 -33.8 15.0 3.4 79 80 A F H X>S+ 0 0 10 -4,-2.9 5,-2.6 1,-0.2 4,-0.5 0.874 108.6 52.5 -63.1 -39.0 -30.2 15.8 2.7 80 81 A A H <5S+ 0 0 55 -4,-2.1 3,-0.5 -5,-0.2 -1,-0.2 0.892 113.9 43.4 -65.0 -38.8 -29.4 12.2 1.7 81 82 A R H <5S+ 0 0 173 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.843 111.9 53.1 -75.3 -33.5 -32.3 12.2 -0.8 82 83 A E H <5S- 0 0 83 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.468 115.5-111.4 -81.4 -2.1 -31.4 15.7 -2.2 83 84 A G T <5 + 0 0 42 -4,-0.5 -71,-1.9 -3,-0.5 2,-0.4 0.912 49.5 177.6 74.1 43.7 -27.8 14.8 -2.9 84 85 A V E < +b 12 0B 21 -5,-2.6 -71,-0.2 -73,-0.2 -1,-0.2 -0.655 15.3 171.6 -82.7 132.7 -26.2 16.9 -0.2 85 86 A G E + 0 0 16 -73,-3.0 2,-0.3 -2,-0.4 -72,-0.2 0.365 66.0 39.8-121.2 2.3 -22.4 16.6 -0.0 86 87 A V E -b 13 0B 1 -74,-1.1 -72,-3.2 21,-0.2 2,-0.4 -0.981 68.1-156.8-150.4 137.7 -21.5 19.4 2.4 87 88 A S E -bd 14 109B 0 21,-2.6 23,-1.9 -2,-0.3 2,-0.4 -0.954 8.3-173.5-127.2 143.5 -23.3 20.6 5.5 88 89 A I E -bd 15 110B 0 -74,-2.7 -72,-3.1 -2,-0.4 2,-0.4 -0.991 11.4-154.0-133.5 123.8 -23.5 23.9 7.4 89 90 A T E -bd 16 111B 0 21,-2.7 23,-3.1 -2,-0.4 2,-0.4 -0.788 14.6-173.5 -97.2 138.9 -25.2 24.3 10.8 90 91 A V E +bd 17 112B 0 -74,-2.8 -72,-2.0 -2,-0.4 23,-0.2 -0.993 10.6 157.5-134.1 141.6 -26.4 27.8 11.7 91 92 A T E - d 0 113B 0 21,-1.6 23,-2.8 -2,-0.4 -72,-0.1 -0.970 33.6-161.9-162.4 147.2 -28.0 29.1 14.9 92 93 A P S S+ 0 0 10 0, 0.0 29,-0.5 0, 0.0 27,-0.3 0.280 81.7 38.4-109.0 6.0 -28.5 32.3 16.9 93 94 A C S S- 0 0 1 -75,-0.3 2,-0.2 27,-0.2 31,-0.1 -0.788 96.0 -66.4-143.2-175.6 -29.2 30.5 20.1 94 95 A W + 0 0 14 -2,-0.2 2,-0.3 30,-0.1 27,-0.1 -0.556 49.3 178.7 -77.8 142.3 -28.4 27.7 22.5 95 96 A C - 0 0 0 -2,-0.2 2,-1.6 25,-0.2 -75,-0.2 -0.921 40.5 -91.9-139.6 164.0 -29.2 24.2 21.2 96 97 A Y >> - 0 0 6 -77,-0.5 3,-2.1 -2,-0.3 4,-0.8 -0.482 42.1-144.6 -86.8 74.7 -28.8 20.7 22.6 97 98 A G H >> S+ 0 0 1 -2,-1.6 3,-1.8 1,-0.3 4,-0.9 0.400 86.1 26.0 8.2-101.1 -25.4 19.6 21.3 98 99 A T H 34 S+ 0 0 40 1272,-2.1 3,-0.3 1,-0.3 -1,-0.3 0.772 118.3 61.5 -55.4 -28.7 -25.4 15.9 20.6 99 100 A E H <4 S+ 0 0 76 -3,-2.1 -27,-0.3 1,-0.2 -1,-0.3 0.738 114.2 34.1 -70.4 -23.0 -29.2 15.9 20.0 100 101 A T H << S+ 0 0 0 -3,-1.8 -1,-0.2 -4,-0.8 -2,-0.2 0.407 90.9 123.7-113.0 0.1 -28.8 18.3 17.1 101 102 A M < - 0 0 6 -4,-0.9 2,-0.8 -3,-0.3 -3,-0.0 -0.180 65.5-120.2 -63.2 153.5 -25.4 17.2 15.6 102 103 A D - 0 0 13 1,-0.1 -1,-0.1 2,-0.1 5,-0.1 -0.869 29.1-172.5 -93.2 112.1 -24.9 16.1 12.0 103 104 A M + 0 0 101 -2,-0.8 -1,-0.1 -5,-0.0 -2,-0.0 0.304 41.4 121.7 -92.5 8.8 -23.6 12.5 12.5 104 105 A D > - 0 0 67 1,-0.2 3,-0.8 2,-0.1 -2,-0.1 -0.625 43.5-167.2 -75.2 115.4 -22.7 11.8 8.9 105 106 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.741 81.0 60.1 -74.0 -22.3 -19.0 10.9 8.9 106 107 A H T 3 S+ 0 0 140 2,-0.1 -2,-0.1 1,-0.0 0, 0.0 0.080 90.2 80.8 -96.5 25.2 -18.7 11.3 5.1 107 108 A I S < S- 0 0 11 -3,-0.8 -21,-0.2 -5,-0.1 2,-0.1 -0.987 78.8-122.8-135.1 126.0 -19.7 14.9 4.8 108 109 A P - 0 0 11 0, 0.0 -21,-2.6 0, 0.0 2,-0.4 -0.431 41.4-168.3 -61.3 138.0 -17.6 18.0 5.3 109 110 A K E -d 87 0B 6 29,-0.4 31,-2.6 -23,-0.2 2,-0.3 -0.984 19.5-179.0-139.4 146.7 -19.3 20.1 8.0 110 111 A A E -de 88 140B 0 -23,-1.9 -21,-2.7 -2,-0.4 2,-0.4 -0.923 13.7-147.9-135.1 159.8 -19.1 23.5 9.5 111 112 A V E -de 89 141B 0 29,-2.6 31,-2.7 -2,-0.3 2,-0.6 -0.997 5.3-165.6-133.6 128.2 -21.0 25.4 12.3 112 113 A W E -de 90 142B 7 -23,-3.1 -21,-1.6 -2,-0.4 2,-0.6 -0.954 6.5-169.3-116.4 113.6 -21.8 29.1 12.4 113 114 A G E -de 91 143B 0 29,-1.4 31,-0.5 -2,-0.6 9,-0.1 -0.907 27.3-118.8-104.6 123.8 -22.9 30.4 15.7 114 115 A F - 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0 0 24 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 -0.554 44.2-169.9 -70.4 102.7 -16.0 11.5 -34.5 228 229 A K H > S+ 0 0 125 -2,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.870 84.6 51.9 -63.8 -37.1 -14.7 11.9 -38.1 229 230 A E H > S+ 0 0 152 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.888 112.0 46.1 -67.5 -37.3 -16.7 15.1 -38.7 230 231 A E H > S+ 0 0 6 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.902 109.3 57.0 -70.0 -39.2 -15.3 16.6 -35.5 231 232 A Y H X S+ 0 0 12 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.926 106.5 47.8 -55.5 -48.6 -11.8 15.5 -36.5 232 233 A E H X S+ 0 0 115 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.902 113.4 47.7 -61.4 -41.4 -12.0 17.3 -39.8 233 234 A R H X S+ 0 0 119 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.895 112.2 51.1 -65.6 -38.9 -13.2 20.5 -38.1 234 235 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.931 109.1 48.7 -63.6 -47.8 -10.5 20.1 -35.5 235 236 A L H X S+ 0 0 16 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.905 112.0 49.9 -59.5 -42.8 -7.7 19.8 -38.1 236 237 A K H X S+ 0 0 123 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.917 110.0 50.9 -61.7 -44.5 -9.0 22.8 -39.9 237 238 A W H X S+ 0 0 40 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.907 109.8 50.2 -60.4 -44.2 -9.1 24.8 -36.7 238 239 A V H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.931 108.9 51.1 -61.4 -46.6 -5.5 23.8 -35.9 239 240 A K H < S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.855 116.8 41.3 -60.0 -35.1 -4.3 24.9 -39.4 240 241 A E H < S+ 0 0 121 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.770 129.5 23.8 -85.1 -27.7 -5.9 28.2 -39.0 241 242 A N H < S+ 0 0 60 -4,-2.3 2,-0.8 -5,-0.2 -3,-0.2 0.641 101.7 79.0-115.4 -18.4 -5.1 29.0 -35.4 242 243 A C < - 0 0 10 -4,-2.9 2,-0.3 -5,-0.3 -1,-0.1 -0.826 66.3-152.1-100.3 106.8 -2.0 27.0 -34.4 243 244 A K - 0 0 90 -2,-0.8 193,-3.0 191,-0.4 2,-0.5 -0.589 10.4-135.6 -78.8 131.4 1.2 28.7 -35.6 244 245 A V B -k 436 0F 81 -2,-0.3 193,-0.2 191,-0.2 3,-0.1 -0.755 20.6-153.1 -90.3 125.5 4.2 26.4 -36.3 245 246 A G - 0 0 7 191,-2.6 256,-0.0 -2,-0.5 -1,-0.0 -0.293 35.8 -61.5 -89.5 177.4 7.5 27.7 -35.0 246 247 A P - 0 0 81 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 -0.203 52.5-114.1 -58.4 147.4 11.1 27.0 -36.2 247 248 A D - 0 0 28 1,-0.1 192,-0.1 190,-0.1 7,-0.1 -0.754 24.7-169.3 -86.6 119.7 12.3 23.4 -36.1 248 249 A N + 0 0 83 -2,-0.6 2,-0.2 190,-0.4 -1,-0.1 0.448 53.7 107.8 -89.4 -0.5 15.2 23.1 -33.6 249 250 A N S S- 0 0 15 190,-0.1 2,-0.8 4,-0.1 5,-0.1 -0.572 75.2-121.8 -75.1 139.8 16.1 19.6 -34.7 250 251 A R > - 0 0 203 -2,-0.2 3,-1.4 1,-0.1 2,-0.7 -0.773 38.2 -93.0 -93.2 111.3 19.4 19.6 -36.6 251 252 A D G > S+ 0 0 135 -2,-0.8 3,-1.3 1,-0.3 -1,-0.1 0.178 126.2 58.4 22.7 -66.1 19.1 18.1 -40.1 252 253 A G G 3 S+ 0 0 75 -2,-0.7 -1,-0.3 1,-0.3 -2,-0.0 0.585 115.9 37.4 -60.7 -8.6 20.1 14.6 -39.1 253 254 A F G < S+ 0 0 82 -3,-1.4 188,-0.3 2,-0.1 -1,-0.3 0.379 89.2 115.1-122.4 -0.5 17.1 14.7 -36.7 254 255 A K < - 0 0 86 -3,-1.3 2,-0.2 -4,-0.1 186,-0.0 -0.529 58.6-136.3 -76.0 136.6 14.5 16.6 -38.7 255 256 A R - 0 0 50 -2,-0.2 -2,-0.1 1,-0.1 -6,-0.0 -0.560 29.4-102.0 -87.4 156.8 11.4 14.8 -39.7 256 257 A T > - 0 0 76 -2,-0.2 4,-2.5 1,-0.1 5,-0.1 -0.141 28.1-105.0 -73.5 172.1 10.1 15.2 -43.3 257 258 A E H > S+ 0 0 174 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.897 122.5 50.5 -63.2 -41.8 7.2 17.4 -44.4 258 259 A E H > S+ 0 0 160 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 110.9 48.0 -63.7 -44.6 5.0 14.3 -44.9 259 260 A Q H > S+ 0 0 74 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.922 109.7 53.4 -62.0 -44.1 5.8 13.0 -41.4 260 261 A K H X S+ 0 0 54 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.840 108.3 50.0 -60.9 -34.8 5.1 16.5 -39.9 261 262 A E H X S+ 0 0 65 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.904 112.6 46.4 -70.5 -40.7 1.7 16.5 -41.5 262 263 A K H X S+ 0 0 111 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.879 104.9 61.7 -67.9 -36.9 0.9 13.1 -40.2 263 264 A D H X S+ 0 0 5 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.879 106.9 46.2 -55.8 -38.5 2.2 14.1 -36.7 264 265 A W H X S+ 0 0 14 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.933 111.0 50.6 -69.4 -48.1 -0.6 16.8 -36.7 265 266 A E H X S+ 0 0 54 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.936 115.4 42.3 -55.7 -49.9 -3.3 14.4 -37.8 266 267 A I H X S+ 0 0 9 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.896 110.0 57.0 -66.0 -40.9 -2.5 11.8 -35.2 267 268 A S H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.878 109.9 45.9 -57.6 -39.7 -2.0 14.5 -32.5 268 269 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.904 111.3 50.6 -70.7 -42.3 -5.5 15.7 -33.1 269 270 A K H X S+ 0 0 27 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.883 107.0 56.4 -62.9 -36.4 -6.9 12.2 -33.1 270 271 A M H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.894 105.6 51.0 -61.6 -39.9 -5.1 11.5 -29.8 271 272 A A H X S+ 0 0 3 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.927 111.9 46.3 -63.9 -44.7 -6.9 14.5 -28.3 272 273 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.915 113.9 48.3 -63.8 -43.8 -10.3 13.3 -29.4 273 274 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.908 110.4 50.6 -64.8 -43.6 -9.6 9.7 -28.2 274 275 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.932 113.1 45.9 -60.9 -45.9 -8.4 10.8 -24.8 275 276 A R H X S+ 0 0 21 -4,-2.1 4,-2.5 1,-0.2 5,-0.4 0.920 111.1 52.1 -63.7 -44.1 -11.5 13.0 -24.3 276 277 A D H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.847 109.2 51.4 -60.8 -35.0 -13.8 10.2 -25.5 277 278 A L H < S+ 0 0 3 -4,-2.1 19,-2.3 -5,-0.2 -1,-0.2 0.888 112.0 47.0 -69.1 -38.4 -12.2 7.8 -23.0 278 279 A M H < S+ 0 0 0 -4,-1.9 20,-2.6 17,-0.2 -2,-0.2 0.931 134.7 5.9 -70.3 -48.0 -12.7 10.3 -20.1 279 280 A V H < S- 0 0 34 -4,-2.5 -3,-0.2 1,-0.3 -2,-0.2 0.350 99.4-121.1-123.0 7.3 -16.3 11.3 -20.6 280 281 A G < - 0 0 11 -4,-1.7 -1,-0.3 -5,-0.4 2,-0.2 -0.115 17.8-117.8 78.7 177.9 -17.6 9.1 -23.4 281 282 A N >> - 0 0 29 12,-1.9 3,-1.4 11,-0.1 4,-0.7 -0.790 4.6-153.1-161.9 114.1 -19.1 10.2 -26.7 282 283 A K H >> S+ 0 0 121 1,-0.3 4,-1.5 -2,-0.2 3,-0.6 0.797 96.0 68.7 -57.7 -29.2 -22.7 9.6 -27.9 283 284 A K H 3> S+ 0 0 67 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.839 92.3 58.8 -59.9 -33.6 -21.4 9.8 -31.5 284 285 A L H <4>S+ 0 0 0 -3,-1.4 5,-2.8 1,-0.2 4,-0.3 0.847 100.9 54.9 -66.1 -33.8 -19.5 6.5 -31.0 285 286 A E H X<5S+ 0 0 103 -4,-0.7 3,-1.7 -3,-0.6 5,-0.3 0.932 106.1 51.2 -64.8 -43.5 -22.7 4.7 -30.2 286 287 A E H 3<5S+ 0 0 117 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.805 106.8 56.8 -61.8 -28.6 -24.2 5.9 -33.5 287 288 A M T 3<5S- 0 0 69 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.505 127.3 -98.0 -81.4 -6.1 -21.1 4.6 -35.2 288 289 A G T < 5S+ 0 0 63 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.628 94.8 112.4 98.1 15.7 -21.6 1.1 -33.8 289 290 A Y >< + 0 0 64 -5,-2.8 4,-1.9 1,-0.2 -3,-0.1 -0.575 30.2 158.6-119.8 66.6 -19.2 1.4 -30.8 290 291 A G H > S+ 0 0 36 -2,-0.3 4,-0.7 -5,-0.3 -1,-0.2 0.845 71.6 48.5 -58.4 -42.8 -21.6 1.3 -27.9 291 292 A E H >> S+ 0 0 159 1,-0.2 3,-1.1 2,-0.2 4,-0.5 0.931 112.5 48.6 -66.1 -44.7 -19.2 0.2 -25.2 292 293 A E H >4 S+ 0 0 25 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.855 101.6 66.5 -62.6 -34.6 -16.6 2.8 -26.2 293 294 A A H 3< S+ 0 0 13 -4,-1.9 -12,-1.9 1,-0.2 -1,-0.2 0.757 89.0 67.5 -59.0 -26.9 -19.4 5.4 -26.2 294 295 A L H << S- 0 0 139 -3,-1.1 3,-0.3 -4,-0.7 -1,-0.2 0.865 87.1-156.8 -65.9 -39.0 -19.9 5.1 -22.4 295 296 A G << - 0 0 20 -3,-0.8 -17,-0.2 -4,-0.5 -18,-0.2 -0.152 30.7 -86.2 83.4 174.9 -16.5 6.6 -21.3 296 297 A R - 0 0 72 -19,-2.3 -1,-0.2 -20,-0.1 -17,-0.2 0.217 48.7-120.3-108.0 14.3 -14.7 5.9 -18.0 297 298 A N + 0 0 38 -3,-0.3 -117,-2.3 1,-0.2 2,-0.6 0.881 54.8 168.0 47.9 46.6 -16.5 8.7 -16.0 298 299 A A E -i 180 0E 0 -20,-2.6 -1,-0.2 -119,-0.2 -117,-0.2 -0.805 34.3-177.0 -99.5 122.0 -13.1 10.2 -15.3 299 300 A I E S+ 0 0 5 -119,-1.4 38,-0.5 -2,-0.6 2,-0.3 0.452 83.8 20.8 -90.7 -1.7 -12.7 13.7 -13.9 300 301 A V E S+i 181 0E 0 -120,-0.9 -118,-2.0 36,-0.1 2,-0.3 -0.960 70.8 169.3-161.6 145.9 -8.9 13.3 -14.2 301 302 A A E -ij 182 338E 0 36,-1.7 38,-3.1 -2,-0.3 2,-0.3 -0.926 16.0-145.7-151.4 175.1 -6.6 11.2 -16.4 302 303 A G E -ij 183 339E 0 -120,-2.0 -118,-2.0 -2,-0.3 2,-0.4 -0.980 6.0-146.2-147.7 156.7 -3.0 10.7 -17.5 303 304 A F E -ij 184 340E 0 36,-2.2 39,-1.1 -2,-0.3 38,-0.6 -0.980 6.6-154.6-129.4 117.6 -1.1 9.6 -20.5 304 305 A Q + 0 0 8 -120,-2.8 2,-1.1 -2,-0.4 37,-0.2 0.956 30.9 159.1 -55.0 -60.0 2.2 7.7 -20.1 305 306 A G >> + 0 0 4 -121,-0.1 4,-1.9 36,-0.1 5,-1.0 -0.578 34.0 95.5 75.3 -99.1 3.7 8.6 -23.5 306 307 A Q T 45S+ 0 0 14 -2,-1.1 2,-0.1 3,-0.2 -117,-0.1 -0.438 85.0 6.4 -69.2 144.5 7.4 8.1 -23.0 307 308 A R T >5S+ 0 0 41 -119,-0.2 4,-1.5 136,-0.1 -1,-0.2 -0.854 129.9 29.4 -99.3 -30.8 9.0 5.8 -23.6 308 309 A Q T 45S+ 0 0 131 1,-0.2 4,-0.2 2,-0.2 -2,-0.2 0.837 124.5 37.9 -53.7 -48.1 7.0 3.2 -25.5 309 310 A W T >X5S+ 0 0 8 -4,-1.9 4,-3.4 1,-0.2 3,-1.5 0.944 117.6 47.7 -72.4 -48.6 4.5 5.4 -27.3 310 311 A T T 34 S+ 0 0 2 1,-0.2 4,-3.4 2,-0.1 5,-0.3 0.293 82.8 110.4 -87.5 12.2 1.1 13.7 -26.4 317 318 A D H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 83,-0.3 0.918 82.3 40.7 -52.2 -53.2 2.1 17.4 -26.2 318 319 A F H > S+ 0 0 0 -3,-0.4 4,-3.1 2,-0.2 5,-0.3 0.933 117.5 48.4 -63.9 -45.1 -0.7 18.7 -28.3 319 320 A M H > S+ 0 0 0 -4,-0.3 4,-2.4 1,-0.2 5,-0.3 0.949 115.7 44.0 -58.4 -49.8 -3.3 16.4 -26.7 320 321 A E H X S+ 0 0 8 -4,-3.4 4,-1.1 2,-0.2 -1,-0.2 0.836 115.6 49.7 -65.2 -33.5 -2.1 17.3 -23.2 321 322 A T H X S+ 0 0 1 -4,-2.4 4,-0.6 -5,-0.3 81,-0.4 0.968 115.5 39.7 -70.3 -53.5 -1.9 21.0 -24.1 322 323 A I H >< S+ 0 0 2 -4,-3.1 3,-1.0 1,-0.2 5,-0.3 0.905 111.1 55.2 -66.6 -44.5 -5.4 21.3 -25.6 323 324 A L H 3< S+ 0 0 4 -4,-2.4 13,-2.6 -5,-0.3 -1,-0.2 0.900 110.5 46.9 -56.6 -41.6 -7.3 19.1 -23.1 324 325 A N H 3< S+ 0 0 4 -4,-1.1 -1,-0.3 -5,-0.3 37,-0.2 0.596 97.5 94.9 -77.0 -11.8 -6.1 21.2 -20.2 325 326 A S S << S- 0 0 0 -3,-1.0 11,-0.2 -4,-0.6 76,-0.1 -0.315 82.7-122.4 -77.1 164.4 -6.9 24.4 -22.0 326 327 A S S S+ 0 0 1 9,-0.1 7,-2.1 6,-0.1 2,-0.3 0.183 89.6 26.8 -92.0 17.6 -10.2 26.3 -21.5 327 328 A F E +M 332 0G 2 -5,-0.3 2,-0.2 5,-0.3 5,-0.2 -0.985 54.8 158.5-169.9 160.5 -11.0 26.1 -25.2 328 329 A D E > -M 331 0G 7 3,-1.2 3,-2.4 -2,-0.3 -5,-0.0 -0.832 66.5 -45.6-162.3-160.1 -10.6 24.3 -28.5 329 330 A W T 3 S+ 0 0 23 1,-0.3 3,-0.1 -2,-0.2 -93,-0.0 0.596 132.4 55.4 -61.5 -11.4 -12.2 23.9 -32.0 330 331 A N T 3 S- 0 0 80 1,-0.4 -1,-0.3 -96,-0.0 2,-0.1 0.306 116.9-111.8-102.8 7.2 -15.6 23.5 -30.3 331 332 A G E < -M 328 0G 33 -3,-2.4 -3,-1.2 2,-0.0 -1,-0.4 -0.447 64.0 -10.0 96.2-171.4 -15.2 26.8 -28.5 332 333 A K E S+M 327 0G 75 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.3 -0.334 72.8 150.5 -64.4 143.2 -14.8 27.7 -24.8 333 334 A R - 0 0 28 -7,-2.1 86,-0.1 -2,-0.0 -2,-0.0 -0.977 50.3 -76.5-164.6 165.7 -15.3 24.8 -22.4 334 335 A A - 0 0 3 -2,-0.3 -9,-0.1 1,-0.1 25,-0.1 -0.427 57.9-104.9 -69.9 145.0 -14.2 23.5 -19.0 335 336 A P - 0 0 3 0, 0.0 2,-0.6 0, 0.0 -11,-0.2 -0.186 19.3-131.9 -64.9 164.1 -10.7 21.9 -19.0 336 337 A Y - 0 0 25 -13,-2.6 2,-0.5 -11,-0.2 -36,-0.1 -0.981 28.2-126.6-117.5 108.6 -10.2 18.2 -18.9 337 338 A I + 0 0 3 -2,-0.6 -36,-1.7 -38,-0.5 2,-0.4 -0.455 41.2 173.0 -62.9 114.0 -7.6 17.7 -16.2 338 339 A F E -j 301 0E 0 -2,-0.5 2,-0.4 -38,-0.2 -36,-0.2 -0.970 22.2-141.9-135.7 120.8 -4.9 15.6 -17.9 339 340 A A E > -j 302 0E 0 -38,-3.1 -36,-2.2 -2,-0.4 3,-1.1 -0.653 12.4-131.8 -90.5 130.1 -1.5 14.6 -16.6 340 341 A T E > S+j 303 0E 4 -2,-0.4 3,-1.9 1,-0.3 6,-0.1 -0.407 94.3 12.8 -69.7 148.3 1.7 14.4 -18.7 341 342 A E T 3 S- 0 0 11 -38,-0.6 -153,-0.4 1,-0.3 -37,-0.3 0.737 122.5 -82.8 53.0 27.9 3.7 11.2 -18.2 342 343 A N T < S+ 0 0 0 -3,-1.1 2,-1.7 -39,-1.1 -1,-0.3 0.802 74.1 167.5 48.6 34.3 0.7 9.6 -16.4 343 344 A D X> - 0 0 0 -3,-1.9 4,-2.0 1,-0.2 3,-0.6 -0.624 11.3-177.8 -78.3 88.5 1.8 11.4 -13.2 344 345 A N H 3> S+ 0 0 1 -2,-1.7 4,-2.1 -151,-1.1 -1,-0.2 0.787 77.1 58.3 -62.9 -27.3 -1.4 10.7 -11.4 345 346 A L H 3> S+ 0 0 2 -152,-1.1 4,-1.7 2,-0.2 121,-0.5 0.851 108.9 44.0 -72.5 -32.2 -0.2 12.6 -8.3 346 347 A N H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.841 110.0 58.4 -77.7 -30.5 0.4 15.8 -10.4 347 348 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.909 109.2 43.2 -61.9 -41.6 -3.0 15.1 -11.9 348 349 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.868 109.8 56.4 -72.1 -34.8 -4.6 15.2 -8.5 349 350 A S H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.915 111.4 44.7 -60.5 -41.8 -2.5 18.3 -7.6 350 351 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.918 110.2 54.5 -66.9 -44.1 -4.0 19.9 -10.6 351 352 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.884 104.5 54.5 -59.2 -40.5 -7.5 18.7 -9.8 352 353 A F H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.958 112.9 42.2 -57.7 -51.6 -7.4 20.2 -6.3 353 354 A G H X S+ 0 0 0 -4,-1.6 4,-0.8 1,-0.2 6,-0.4 0.876 114.9 51.1 -63.9 -38.6 -6.6 23.6 -7.8 354 355 A Y H >X S+ 0 0 6 -4,-2.7 4,-4.0 1,-0.2 3,-0.9 0.937 108.2 49.8 -65.2 -47.9 -9.1 23.3 -10.6 355 356 A L H 3< S+ 0 0 15 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.737 112.9 49.1 -65.1 -21.0 -12.0 22.3 -8.3 356 357 A L H 3< S+ 0 0 9 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.610 129.8 17.7 -91.5 -13.6 -11.2 25.3 -6.1 357 358 A T H << S- 0 0 29 -3,-0.9 -2,-0.2 -4,-0.8 -3,-0.2 0.591 84.2-132.5-130.9 -21.4 -11.0 27.8 -8.9 358 359 A N < + 0 0 14 -4,-4.0 61,-0.6 1,-0.3 2,-0.3 0.632 69.1 124.6 69.1 16.5 -12.7 26.4 -12.0 359 360 A T S S- 0 0 7 -6,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 -0.804 71.5 -94.2-111.1 150.0 -9.6 27.6 -13.9 360 361 A A - 0 0 1 57,-0.4 176,-0.4 -2,-0.3 2,-0.4 -0.257 41.0-140.0 -57.5 142.6 -7.1 25.7 -16.1 361 362 A Q - 0 0 2 -37,-0.2 2,-0.6 174,-0.1 40,-0.4 -0.871 7.6-128.0-111.9 142.5 -4.1 24.4 -14.3 362 363 A I E -N 534 0H 7 172,-2.8 172,-2.5 -2,-0.4 2,-0.4 -0.783 11.7-149.7 -97.1 122.0 -0.5 24.3 -15.6 363 364 A F E +N 533 0H 4 -2,-0.6 33,-0.5 170,-0.2 2,-0.3 -0.702 32.9 164.1 -83.3 132.6 1.6 21.1 -15.5 364 365 A A E -N 532 0H 2 168,-1.9 168,-2.0 -2,-0.4 2,-0.4 -0.997 39.6-125.8-154.0 158.1 5.3 21.9 -15.1 365 366 A D E -N 531 0H 7 -2,-0.3 30,-2.2 166,-0.2 2,-1.8 -0.819 28.2-128.3 -98.7 140.2 8.7 20.6 -14.2 366 367 A V E +O 394 0H 8 164,-3.0 28,-0.2 -2,-0.4 350,-0.1 -0.717 49.0 165.9 -87.6 85.2 10.7 22.4 -11.5 367 368 A R E + 0 0 3 -2,-1.8 2,-0.4 26,-1.5 345,-0.3 0.928 43.5 2.6 -74.1 -54.0 13.6 22.7 -13.9 368 369 A T E -O 393 0H 0 25,-1.0 25,-3.2 -3,-0.2 2,-0.7 -0.996 46.1-144.9-147.0 141.1 16.2 25.2 -12.7 369 370 A Y E -O 392 0H 17 -2,-0.4 2,-0.7 23,-0.2 23,-0.2 -0.922 24.3-160.3-100.2 117.8 16.9 27.5 -9.7 370 371 A W E -O 391 0H 0 21,-3.0 21,-2.2 -2,-0.7 366,-0.1 -0.887 5.5-157.2-103.2 109.5 18.6 30.6 -11.1 371 372 A S > - 0 0 3 -2,-0.7 4,-2.5 364,-0.4 5,-0.2 -0.402 29.7-112.9 -80.0 160.1 20.5 32.5 -8.5 372 373 A P H > S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 11,-0.2 0.890 120.7 53.1 -59.2 -37.0 21.3 36.2 -8.9 373 374 A E H > S+ 0 0 94 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.932 109.1 47.4 -63.2 -47.1 25.0 35.2 -9.2 374 375 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.912 112.2 48.8 -62.9 -44.1 24.3 32.7 -12.0 375 376 A V H X>S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.7 0.918 111.4 50.6 -63.1 -41.5 22.1 35.1 -14.0 376 377 A K H X5S+ 0 0 94 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.912 112.2 47.2 -62.6 -42.9 24.8 37.8 -13.7 377 378 A R H <5S+ 0 0 106 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.944 119.3 38.2 -63.2 -48.8 27.5 35.4 -14.9 378 379 A V H <5S+ 0 0 30 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.799 136.7 14.5 -75.4 -30.8 25.5 34.1 -17.8 379 380 A T H <5S- 0 0 38 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.613 87.4-126.0-120.1 -20.3 23.9 37.4 -18.9 380 381 A G S < + 0 0 125 5,-0.0 3,-1.5 3,-0.0 4,-0.2 -0.762 38.4 2.3-127.0 172.4 15.6 43.3 -10.0 385 386 A G G > S- 0 0 64 1,-0.3 3,-1.9 -2,-0.2 4,-0.2 -0.207 129.0 -5.1 55.0-137.7 12.3 43.7 -8.2 386 387 A R G > S+ 0 0 128 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.789 138.2 55.5 -58.2 -28.3 10.5 40.5 -7.2 387 388 A A G X S+ 0 0 6 -3,-1.5 3,-2.4 1,-0.2 -1,-0.3 0.508 75.8 102.8 -83.8 -4.6 13.2 38.5 -9.0 388 389 A A G < S+ 0 0 39 -3,-1.9 -1,-0.2 1,-0.3 -5,-0.1 0.706 82.1 46.5 -52.5 -26.2 16.1 40.1 -7.0 389 390 A N G < S- 0 0 106 -3,-0.6 131,-0.4 1,-0.4 -1,-0.3 0.251 126.8 -76.0-103.1 13.2 16.6 37.1 -4.8 390 391 A G < - 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0 0 22 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 -0.578 42.5-170.7 -71.3 105.0 52.9 -10.5 25.7 818 229 B K H > S+ 0 0 118 -2,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.827 84.0 55.3 -68.3 -30.3 55.6 -10.5 28.4 819 230 B E H > S+ 0 0 101 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.934 111.7 43.5 -66.7 -45.8 58.1 -8.9 26.0 820 231 B E H > S+ 0 0 6 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.906 109.6 58.4 -65.5 -40.9 55.7 -6.0 25.4 821 232 B Y H X S+ 0 0 10 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.929 105.9 47.6 -54.5 -49.0 54.9 -5.8 29.1 822 233 B E H X S+ 0 0 118 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.906 114.0 47.4 -60.7 -41.0 58.5 -5.2 30.1 823 234 B R H X S+ 0 0 90 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.891 113.1 49.5 -66.1 -39.3 58.8 -2.6 27.4 824 235 B A H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.916 109.1 50.5 -65.6 -45.7 55.5 -1.0 28.5 825 236 B L H X S+ 0 0 16 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.905 112.1 48.6 -59.9 -42.2 56.5 -0.9 32.2 826 237 B K H X S+ 0 0 128 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.914 110.3 50.8 -63.9 -43.7 59.8 0.7 31.2 827 238 B W H X S+ 0 0 39 -4,-2.2 4,-2.2 1,-0.2 5,-0.4 0.899 109.3 50.9 -61.0 -43.5 58.0 3.3 29.1 828 239 B V H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.920 108.7 51.6 -61.6 -43.9 55.6 4.2 31.9 829 240 B K H < S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.848 116.0 41.7 -62.2 -33.7 58.5 4.7 34.3 830 241 B E H < S+ 0 0 129 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.751 129.5 22.3 -86.7 -26.0 60.3 7.0 31.9 831 242 B N H < S+ 0 0 56 -4,-2.2 2,-1.0 -5,-0.2 -3,-0.2 0.663 99.8 82.0-117.4 -21.4 57.3 9.1 30.6 832 243 B C < - 0 0 9 -4,-2.5 2,-0.3 -5,-0.4 -1,-0.1 -0.768 67.8-149.7 -94.4 102.1 54.4 8.9 33.1 833 244 B K - 0 0 86 -2,-1.0 193,-3.5 191,-0.4 2,-0.6 -0.528 8.1-138.4 -73.2 126.8 55.1 11.5 35.9 834 245 B V B -g 1026 0P 84 -2,-0.3 193,-0.2 191,-0.2 3,-0.1 -0.765 21.5-157.9 -89.7 117.7 53.7 10.5 39.3 835 246 B G - 0 0 8 191,-2.4 256,-0.0 -2,-0.6 -1,-0.0 -0.251 35.8 -55.3 -87.1 178.3 52.1 13.5 41.1 836 247 B P - 0 0 81 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 -0.143 52.6-116.6 -54.1 141.0 51.4 14.1 44.9 837 248 B D - 0 0 22 1,-0.1 192,-0.1 190,-0.1 7,-0.1 -0.727 24.7-170.0 -83.4 118.4 49.4 11.5 46.8 838 249 B N + 0 0 69 -2,-0.6 2,-0.3 190,-0.4 -1,-0.1 0.470 54.3 106.1 -88.1 -3.0 46.2 13.2 48.0 839 250 B N - 0 0 13 190,-0.1 2,-0.3 4,-0.1 3,-0.1 -0.614 67.1-138.3 -75.8 133.9 45.2 10.3 50.3 840 251 B R > - 0 0 159 -2,-0.3 3,-2.1 1,-0.2 4,-0.2 -0.695 43.6 -62.0 -95.0 150.9 45.8 11.2 53.9 841 252 B D T 3 S+ 0 0 147 -2,-0.3 -1,-0.2 1,-0.3 4,-0.1 0.149 129.1 36.6 -28.5 132.6 47.3 8.8 56.4 842 253 B G T 3 S+ 0 0 78 2,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.038 119.6 53.5 103.2 -23.2 45.1 5.7 56.8 843 254 B F S < S+ 0 0 71 -3,-2.1 188,-0.4 2,-0.1 2,-0.4 0.345 82.8 105.0-120.9 -0.5 44.3 5.9 53.1 844 255 B K - 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