==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIFUNCTIONAL(ISOMERASE AND SYNTHASE) 21-JUN-91 1PII . COMPND 2 MOLECULE: N-(5'PHOSPHORIBOSYL)ANTHRANILATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.WILMANNS,J.P.PRIESTLE,J.N.JANSONIUS . 452 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.2 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 46 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 1 2 0 1 2 2 5 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 4 5 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 1 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 1 A M 0 0 239 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.4 33.9 1.6 45.6 2 2 A Q - 0 0 113 1,-0.1 3,-0.0 2,-0.0 5,-0.0 -0.758 360.0-123.7 -95.3 139.5 32.3 4.1 43.2 3 3 A T > - 0 0 59 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.261 29.6-106.8 -73.1 174.5 31.9 3.4 39.5 4 4 A V H > S+ 0 0 53 185,-1.7 4,-2.6 1,-0.2 5,-0.2 0.957 121.3 53.8 -63.4 -47.6 33.4 5.8 36.9 5 5 A L H > S+ 0 0 14 183,-1.2 4,-2.8 1,-0.2 5,-0.3 0.907 106.5 50.8 -53.0 -46.7 29.8 7.0 36.1 6 6 A A H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.913 110.6 50.6 -61.1 -38.8 29.0 7.7 39.7 7 7 A K H X S+ 0 0 66 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.905 110.7 46.8 -68.1 -42.3 32.1 9.7 39.9 8 8 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.936 114.5 47.6 -65.2 -42.5 31.4 11.8 36.8 9 9 A V H X S+ 0 0 33 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.915 108.1 54.8 -67.4 -38.4 27.9 12.4 37.9 10 10 A A H X S+ 0 0 36 -4,-2.8 4,-1.1 -5,-0.3 -1,-0.2 0.913 111.3 46.9 -59.1 -36.8 29.0 13.4 41.5 11 11 A D H X S+ 0 0 35 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.817 105.5 59.2 -74.6 -27.8 31.3 15.9 39.8 12 12 A K H X S+ 0 0 2 -4,-1.7 4,-3.5 2,-0.2 -1,-0.2 0.925 100.3 55.6 -66.8 -39.6 28.5 17.2 37.6 13 13 A A H X S+ 0 0 36 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.903 108.5 48.5 -56.9 -40.2 26.4 18.1 40.6 14 14 A I H X S+ 0 0 117 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.940 111.1 49.2 -67.2 -46.0 29.2 20.2 41.8 15 15 A W H X S+ 0 0 44 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.934 112.0 50.4 -57.6 -44.9 29.6 21.8 38.4 16 16 A V H X S+ 0 0 0 -4,-3.5 4,-1.6 1,-0.2 -2,-0.2 0.930 109.4 49.6 -56.4 -50.2 25.8 22.5 38.3 17 17 A E H X S+ 0 0 83 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.875 113.5 45.9 -59.0 -40.5 25.6 24.1 41.7 18 18 A A H >X S+ 0 0 56 -4,-2.0 4,-1.8 1,-0.2 3,-0.6 0.924 110.1 53.3 -71.4 -41.4 28.5 26.4 40.9 19 19 A R H 3X S+ 0 0 17 -4,-2.4 4,-1.6 1,-0.3 -1,-0.2 0.771 104.8 54.3 -63.3 -30.9 27.2 27.4 37.5 20 20 A K H 3< S+ 0 0 59 -4,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.794 106.6 53.7 -72.9 -27.4 23.9 28.4 38.9 21 21 A Q H << S+ 0 0 163 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.930 114.9 39.8 -69.2 -46.0 25.8 30.7 41.3 22 22 A Q H < S+ 0 0 143 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.693 135.9 16.8 -75.0 -24.9 27.6 32.3 38.3 23 23 A Q S < S- 0 0 29 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 -0.497 81.9-156.6-154.8 70.6 24.5 32.4 36.0 24 24 A P > - 0 0 61 0, 0.0 3,-0.9 0, 0.0 4,-0.2 -0.153 24.0-122.0 -53.1 146.5 21.3 32.0 37.9 25 25 A L G >> S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 3,-2.5 0.861 109.2 65.3 -57.8 -41.2 18.3 30.7 36.0 26 26 A A G 34 S+ 0 0 86 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.775 93.3 64.7 -51.0 -33.5 16.3 33.8 36.9 27 27 A S G <4 S+ 0 0 74 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.572 122.8 6.8 -71.8 -9.2 18.7 35.8 34.9 28 28 A F T X> S+ 0 0 5 -3,-2.5 3,-1.0 -4,-0.2 4,-0.6 0.522 92.3 100.7-146.6 -10.0 17.9 34.2 31.5 29 29 A Q G >< S+ 0 0 72 -4,-2.6 3,-1.5 1,-0.3 -3,-0.1 0.868 85.3 54.7 -45.1 -50.2 15.0 31.8 31.6 30 30 A N G 34 S+ 0 0 127 -4,-0.3 -1,-0.3 1,-0.3 -4,-0.1 0.773 107.3 50.1 -57.6 -33.2 12.6 34.4 30.2 31 31 A E G <4 S+ 0 0 136 -3,-1.0 2,-0.5 2,-0.1 -1,-0.3 0.449 82.5 107.0 -90.4 4.1 14.7 34.9 27.2 32 32 A V << - 0 0 13 -3,-1.5 96,-0.1 -4,-0.6 93,-0.0 -0.707 52.9-170.8 -82.6 124.6 15.1 31.3 26.3 33 33 A Q - 0 0 116 -2,-0.5 3,-0.1 94,-0.2 -2,-0.1 -0.753 28.6 -84.6-114.1 160.1 13.0 30.6 23.2 34 34 A P - 0 0 59 0, 0.0 123,-0.2 0, 0.0 -1,-0.1 -0.269 47.7 -96.9 -64.2 155.8 12.2 27.3 21.6 35 35 A S - 0 0 8 121,-2.3 97,-0.1 1,-0.1 96,-0.0 -0.341 21.8-157.4 -65.3 144.7 14.5 25.5 19.2 36 36 A T + 0 0 116 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.275 67.8 86.4-104.9 8.0 13.7 26.1 15.5 37 37 A R S S- 0 0 58 120,-0.1 2,-0.7 74,-0.1 72,-0.1 -0.719 74.2-130.0-106.0 159.7 15.4 22.8 14.4 38 38 A H > + 0 0 123 -2,-0.3 4,-2.0 1,-0.2 120,-0.1 -0.719 26.9 171.3-119.3 87.4 13.9 19.4 14.2 39 39 A F H >> S+ 0 0 3 -2,-0.7 4,-0.7 93,-0.4 3,-0.5 0.941 82.0 47.4 -53.0 -58.6 16.0 16.7 15.9 40 40 A Y H >> S+ 0 0 31 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.898 112.6 52.6 -55.1 -43.0 13.4 13.9 15.7 41 41 A D H >4 S+ 0 0 110 1,-0.2 3,-1.0 2,-0.2 -1,-0.3 0.879 101.3 55.0 -66.7 -39.2 12.8 14.7 12.2 42 42 A A H << S+ 0 0 37 -4,-2.0 -1,-0.2 -3,-0.5 -2,-0.2 0.556 107.5 53.1 -66.9 -14.5 16.3 14.6 10.9 43 43 A L H << S+ 0 0 6 -3,-1.0 2,-0.3 -4,-0.7 -1,-0.2 0.535 92.1 83.7 -95.5 -13.8 16.7 11.1 12.2 44 44 A Q << + 0 0 85 -3,-1.0 2,-0.3 -4,-0.6 3,-0.1 -0.592 65.3 101.3 -86.8 145.6 13.7 9.7 10.6 45 45 A G S S- 0 0 62 -2,-0.3 4,-0.1 1,-0.2 -3,-0.0 -0.834 79.1 -83.6 157.0 164.7 14.3 8.6 7.0 46 46 A A S S+ 0 0 115 -2,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.996 103.9 59.8 -53.8 -69.9 14.9 6.0 4.4 47 47 A R S S- 0 0 159 1,-0.2 404,-0.1 -3,-0.1 403,-0.0 -0.075 99.3 -91.0 -59.9 149.9 18.7 5.8 5.0 48 48 A T - 0 0 10 402,-0.2 2,-0.2 1,-0.1 184,-0.2 -0.355 50.9-134.0 -61.7 135.8 20.6 5.0 8.0 49 49 A A E -a 232 0A 7 182,-2.1 184,-2.0 -6,-0.2 2,-0.4 -0.683 12.5-149.5-100.6 155.0 21.3 8.3 9.9 50 50 A F E -a 233 0A 0 -2,-0.2 32,-3.4 182,-0.2 33,-1.4 -0.975 9.8-167.3-126.4 132.2 24.5 9.5 11.5 51 51 A I E -ab 234 83A 0 182,-3.2 184,-1.8 -2,-0.4 2,-0.5 -0.941 22.1-157.3-109.2 108.7 25.0 11.8 14.5 52 52 A L E -ab 235 84A 0 31,-1.8 33,-2.1 -2,-0.7 2,-0.4 -0.777 9.6-135.9 -94.6 136.4 28.6 12.8 14.3 53 53 A E E - b 0 85A 2 182,-2.7 2,-0.8 -2,-0.5 33,-0.2 -0.736 11.5-151.2-106.2 140.2 30.2 13.9 17.5 54 54 A C E + b 0 86A 2 31,-2.6 33,-1.9 -2,-0.4 2,-0.4 -0.892 38.6 153.7 -98.3 98.6 32.5 16.8 18.4 55 55 A K - 0 0 22 -2,-0.8 39,-0.1 31,-0.1 3,-0.1 -0.995 30.9-172.9-139.5 132.6 34.5 15.5 21.3 56 56 A K S S- 0 0 39 37,-0.9 8,-3.7 -2,-0.4 9,-1.6 0.792 73.8 -3.7 -88.7 -42.0 38.0 16.5 22.5 57 57 A A E -I 63 0B 1 36,-1.6 -1,-0.3 6,-0.3 6,-0.2 -0.934 59.1-154.9-147.3 172.2 38.6 13.9 25.1 58 58 A S E > -I 62 0B 7 4,-1.6 4,-2.1 -2,-0.3 3,-0.4 -0.953 32.6-111.6-144.4 162.8 37.0 11.1 26.8 59 59 A P T 4 S+ 0 0 37 0, 0.0 34,-0.1 0, 0.0 4,-0.1 0.700 116.4 46.1 -76.2 -9.0 37.3 9.4 30.1 60 60 A S T 4 S+ 0 0 43 2,-0.2 -3,-0.0 1,-0.1 0, 0.0 0.658 126.8 22.9-109.3 -0.2 38.5 6.3 28.5 61 61 A K T 4 S- 0 0 108 -3,-0.4 -1,-0.1 1,-0.3 2,-0.1 0.433 89.3-145.2-129.6 -10.1 41.1 7.8 26.1 62 62 A G E < S+I 58 0B 37 -4,-2.1 -4,-1.6 30,-0.1 -1,-0.3 -0.375 72.8 10.6 69.7-150.8 42.0 11.1 27.6 63 63 A V E +I 57 0B 62 -6,-0.2 -6,-0.3 1,-0.2 3,-0.2 -0.370 64.6 174.8 -62.4 125.0 42.7 13.8 25.0 64 64 A I S S+ 0 0 26 -8,-3.7 2,-0.4 1,-0.3 -7,-0.2 0.776 71.7 27.1-100.5 -37.1 41.7 12.5 21.8 65 65 A R + 0 0 11 -9,-1.6 -1,-0.3 1,-0.1 3,-0.1 -0.933 51.4 174.8-133.2 102.2 42.3 15.6 19.7 66 66 A D S S+ 0 0 131 -2,-0.4 2,-1.8 1,-0.2 -1,-0.1 0.937 83.7 70.8 -60.1 -49.6 45.0 18.1 20.8 67 67 A D S S+ 0 0 69 -3,-0.1 2,-0.9 2,-0.0 -1,-0.2 -0.408 79.5 169.8 -50.5 40.3 44.2 19.8 17.5 68 68 A F + 0 0 34 -2,-1.8 -12,-0.1 -3,-0.1 -1,-0.0 -0.654 14.9 147.7 -94.2 101.9 40.7 21.0 18.6 69 69 A D >> - 0 0 57 -2,-0.9 4,-2.9 1,-0.1 3,-1.2 -0.844 23.6-168.1-129.0 104.4 38.5 23.4 16.7 70 70 A P H 3> S+ 0 0 9 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.867 90.0 55.3 -53.2 -39.9 34.7 23.0 16.8 71 71 A A H 3> S+ 0 0 25 1,-0.2 4,-1.6 2,-0.2 -2,-0.0 0.845 110.4 43.9 -67.6 -31.0 34.2 25.4 14.0 72 72 A R H <> S+ 0 0 165 -3,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.858 113.7 50.3 -83.7 -31.7 36.4 23.4 11.7 73 73 A I H >X S+ 0 0 3 -4,-2.9 4,-3.0 1,-0.2 3,-1.3 0.967 108.9 52.7 -65.1 -42.6 35.0 20.2 12.7 74 74 A A H 3X S+ 0 0 0 -4,-3.3 4,-2.3 -5,-0.3 -1,-0.2 0.891 101.3 61.4 -57.4 -41.4 31.6 21.5 12.1 75 75 A A H 3< S+ 0 0 40 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.765 113.9 33.8 -55.9 -31.4 32.6 22.6 8.6 76 76 A I H X< S+ 0 0 32 -3,-1.3 3,-2.2 -4,-1.0 4,-0.3 0.878 113.2 56.9 -90.6 -48.1 33.3 19.0 7.6 77 77 A Y H >X S+ 0 0 0 -4,-3.0 3,-2.4 1,-0.3 4,-2.4 0.849 94.6 70.4 -55.7 -33.3 30.7 17.2 9.6 78 78 A K T 3< S+ 0 0 83 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.1 0.777 89.1 61.8 -59.3 -22.1 28.0 19.3 7.9 79 79 A H T <4 S+ 0 0 110 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.668 122.3 16.3 -79.0 -7.7 28.5 17.6 4.6 80 80 A Y T <4 S+ 0 0 46 -3,-2.4 -2,-0.2 -4,-0.3 -30,-0.2 0.652 95.4 101.6-136.2 -16.9 27.5 14.2 6.1 81 81 A A < - 0 0 11 -4,-2.4 -30,-0.2 1,-0.1 3,-0.1 -0.387 45.4-160.8 -78.2 157.2 25.7 14.3 9.4 82 82 A S S S- 0 0 23 -32,-3.4 2,-0.3 1,-0.4 -31,-0.2 0.757 90.5 -3.9 -92.7 -34.0 22.0 14.0 10.1 83 83 A A E S-b 51 0A 0 -33,-1.4 -31,-1.8 26,-0.2 2,-0.5 -0.977 72.7-128.1-148.3 158.5 22.6 15.7 13.5 84 84 A I E -bc 52 111A 0 26,-2.6 28,-3.3 -2,-0.3 2,-0.4 -0.951 13.5-153.2-120.2 129.4 25.7 16.9 15.3 85 85 A S E -bc 53 112A 0 -33,-2.1 -31,-2.6 -2,-0.5 2,-0.5 -0.815 10.4-169.7 -94.8 135.6 26.5 16.0 18.9 86 86 A V E -bc 54 113A 1 26,-3.0 28,-2.7 -2,-0.4 2,-0.3 -0.976 17.9-136.0-128.1 119.5 28.6 18.4 20.9 87 87 A L E + c 0 114A 3 -33,-1.9 9,-1.0 -2,-0.5 28,-0.2 -0.549 23.0 177.2 -71.9 138.4 30.0 17.4 24.3 88 88 A T + 0 0 0 26,-2.4 9,-0.4 -2,-0.3 2,-0.3 0.380 43.4 111.5-121.3 0.3 29.6 20.1 26.9 89 89 A D - 0 0 4 25,-0.6 6,-4.3 1,-0.2 4,-0.1 -0.587 49.0-166.8 -72.6 134.3 31.0 18.2 29.9 90 90 A E S > S+ 0 0 80 -2,-0.3 4,-1.3 4,-0.3 -1,-0.2 0.924 72.1 47.5 -89.3 -51.9 34.2 20.1 30.7 91 91 A K T 4 S+ 0 0 132 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.851 123.7 24.5 -64.8 -46.3 36.1 17.9 33.1 92 92 A Y T 4 S+ 0 0 45 1,-0.1 -1,-0.2 -84,-0.1 -30,-0.1 0.746 137.6 24.8 -96.2 -18.9 35.9 14.5 31.5 93 93 A F T 4 S- 0 0 12 -35,-0.1 -36,-1.6 2,-0.1 -37,-0.9 0.455 91.6-129.5-123.2 -1.5 35.4 15.4 27.9 94 94 A Q < + 0 0 81 -4,-1.3 -4,-0.3 -38,-0.2 2,-0.2 0.856 60.0 139.0 54.6 37.0 36.9 18.8 27.7 95 95 A G - 0 0 7 -6,-4.3 2,-0.3 -39,-0.1 -7,-0.3 -0.448 37.2-149.6-100.2-173.9 33.9 20.2 26.0 96 96 A S > - 0 0 15 -9,-1.0 3,-2.8 -2,-0.2 4,-0.5 -0.964 26.6-129.4-154.4 140.0 32.1 23.5 26.6 97 97 A F T > S+ 0 0 0 -9,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.847 109.0 69.7 -56.0 -28.6 28.6 25.0 26.4 98 98 A N T 3> S+ 0 0 87 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.713 85.6 65.2 -66.9 -13.0 30.4 27.7 24.4 99 99 A F H <> S+ 0 0 44 -3,-2.8 4,-2.7 1,-0.2 5,-0.3 0.759 85.6 73.9 -77.6 -23.8 31.0 25.3 21.5 100 100 A L H <> S+ 0 0 0 -3,-1.4 4,-3.1 -4,-0.5 -1,-0.2 0.933 96.6 44.4 -52.9 -51.3 27.3 24.9 20.8 101 101 A P H > S+ 0 0 35 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.905 112.4 54.6 -64.3 -34.7 26.7 28.3 19.2 102 102 A I H X S+ 0 0 55 -4,-0.8 4,-1.1 2,-0.2 -2,-0.2 0.957 112.6 40.4 -61.1 -51.5 29.8 27.9 17.2 103 103 A V H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 3,-0.4 0.910 113.8 55.2 -62.6 -40.6 28.8 24.6 15.7 104 104 A S H < S+ 0 0 9 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.872 104.3 53.5 -61.1 -39.1 25.2 25.8 15.3 105 105 A Q H < S+ 0 0 156 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.771 117.5 37.3 -69.1 -24.3 26.4 28.8 13.2 106 106 A I H < S+ 0 0 60 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.869 115.4 46.7 -96.1 -38.7 28.3 26.7 10.9 107 107 A A < - 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0 0 57 -8,-2.8 4,-2.6 -2,-0.2 3,-0.3 -0.866 12.9-156.9 -95.8 103.6 33.8 8.8 -16.0 439 439 A A H > S+ 0 0 35 -2,-0.7 4,-2.3 1,-0.2 -1,-0.1 0.750 92.0 53.2 -55.1 -29.7 32.8 11.2 -13.3 440 440 A R H > S+ 0 0 187 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 107.3 49.1 -78.9 -33.7 29.3 10.2 -13.5 441 441 A L H > S+ 0 0 51 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.931 112.6 51.7 -64.7 -41.7 30.0 6.6 -13.0 442 442 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 -12,-0.3 5,-0.3 0.961 108.8 47.2 -61.6 -50.3 32.1 7.6 -10.1 443 443 A A H X S+ 0 0 34 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.932 112.1 54.8 -62.9 -30.3 29.4 9.7 -8.5 444 444 A S H X S+ 0 0 41 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.888 107.1 45.9 -67.9 -45.7 27.1 6.8 -9.0 445 445 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.937 114.0 48.5 -67.0 -39.8 29.2 4.2 -7.3 446 446 A F H X S+ 0 0 6 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.865 108.0 55.1 -68.4 -30.4 29.9 6.4 -4.3 447 447 A Q H >X S+ 0 0 140 -4,-2.0 3,-1.1 -5,-0.3 4,-0.7 0.942 108.3 49.3 -63.8 -47.4 26.2 7.3 -4.0 448 448 A T H >< S+ 0 0 32 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.933 100.8 64.5 -59.6 -39.8 25.4 3.6 -3.9 449 449 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.781 108.1 40.8 -56.5 -24.5 28.0 3.0 -1.2 450 450 A R H << S+ 0 0 21 -3,-1.1 2,-2.4 -4,-0.7 -1,-0.3 0.492 85.1 105.9 -98.7 -9.0 26.0 5.2 1.2 451 451 A A << 0 0 68 -3,-1.7 -1,-0.1 -4,-0.7 -3,-0.0 -0.425 360.0 360.0 -75.6 74.3 22.6 3.9 0.2 452 452 A Y 0 0 34 -2,-2.4 -1,-0.2 -404,-0.1 -2,-0.1 0.274 360.0 360.0-150.2 360.0 21.9 1.8 3.3