==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 24-APR-09 3H70 . COMPND 2 MOLECULE: O-SUCCINYLBENZOIC ACID (OSB) SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,J.M.SAUDER,S.K.BURLEY,J.A.GERLT,S.C. . 342 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 10.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 21 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 0 1 1 1 0 3 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 0 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 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 S 0 0 93 0, 0.0 2,-0.3 0, 0.0 81,-0.2 0.000 360.0 360.0 360.0 155.9 19.4 2.9 -12.2 2 1 A L E -A 81 0A 22 79,-1.9 79,-2.2 81,-0.1 2,-0.3 -0.976 360.0-172.1-138.3 151.4 17.4 5.0 -9.8 3 2 A K E -A 80 0A 91 -2,-0.3 37,-1.5 77,-0.2 2,-0.6 -0.994 25.5-127.0-140.1 140.8 17.2 8.6 -8.7 4 3 A L E +B 39 0B 1 75,-0.6 74,-2.7 72,-0.4 35,-0.3 -0.817 32.0 168.7 -92.5 121.4 15.2 10.1 -5.8 5 4 A T E + 0 0 51 33,-2.6 2,-0.3 -2,-0.6 34,-0.2 0.702 56.0 25.4-106.1 -25.0 13.0 13.0 -7.0 6 5 A A E -B 38 0B 24 32,-1.7 32,-2.3 2,-0.0 2,-0.4 -0.986 51.2-165.1-144.3 155.4 10.7 13.9 -4.2 7 6 A L E -B 37 0B 24 -2,-0.3 2,-0.4 30,-0.2 30,-0.2 -0.998 9.6-177.8-139.6 131.8 10.3 13.7 -0.4 8 7 A H E -B 36 0B 82 28,-2.2 28,-1.9 -2,-0.4 2,-0.4 -0.983 14.3-146.1-132.3 144.0 7.2 14.1 1.7 9 8 A F E +B 35 0B 23 -2,-0.4 325,-2.3 26,-0.2 326,-0.4 -0.900 19.9 177.3-110.2 137.7 6.7 14.1 5.5 10 9 A Y E -BC 34 333B 48 24,-2.6 24,-2.5 -2,-0.4 2,-0.4 -0.890 16.1-143.1-133.0 164.0 3.6 12.7 7.2 11 10 A K E -BC 33 332B 66 321,-2.7 321,-1.7 -2,-0.3 2,-0.4 -0.961 9.6-172.7-129.9 147.6 2.5 12.2 10.8 12 11 A Y E +B 32 0B 5 20,-1.8 20,-2.1 -2,-0.4 2,-0.2 -0.994 6.5 175.5-136.0 136.2 0.4 9.5 12.4 13 12 A S E +B 31 0B 38 -2,-0.4 18,-0.2 18,-0.2 -2,-0.0 -0.598 4.3 170.0-149.1 85.2 -0.8 9.7 16.0 14 13 A E E -B 30 0B 43 16,-0.6 16,-2.2 -2,-0.2 2,-0.1 -0.659 36.6-109.7 -94.8 148.8 -3.0 7.0 17.4 15 14 A P E -B 29 0B 63 0, 0.0 289,-0.4 0, 0.0 14,-0.3 -0.464 31.3-112.5 -75.6 149.2 -3.9 6.7 21.1 16 15 A F E - 0 0 12 12,-2.5 287,-0.2 1,-0.2 3,-0.1 -0.624 20.3-131.5 -76.1 138.6 -2.5 3.9 23.1 17 16 A K E S+ 0 0 115 285,-2.5 2,-0.5 -2,-0.3 -1,-0.2 0.933 102.1 29.5 -56.6 -45.9 -5.3 1.5 24.2 18 17 A S E S- 0 0 95 284,-0.2 -1,-0.2 -3,-0.0 3,-0.0 -0.973 105.0-107.9-114.2 127.2 -3.9 1.7 27.7 19 18 A Q E - 0 0 115 -2,-0.5 2,-0.5 1,-0.1 9,-0.2 -0.251 33.3-121.0 -54.1 136.2 -2.1 4.9 28.6 20 19 A I E +B 27 0B 22 7,-2.6 7,-2.4 9,-0.0 2,-0.4 -0.728 35.2 178.9 -84.5 124.6 1.6 4.4 28.8 21 20 A V E +B 26 0B 101 -2,-0.5 5,-0.2 5,-0.2 -2,-0.0 -0.942 13.6 144.0-133.1 110.1 2.9 5.3 32.3 22 21 A T - 0 0 53 3,-2.6 3,-0.4 -2,-0.4 -2,-0.0 -0.899 61.7-101.1-138.0 166.5 6.6 4.9 33.2 23 22 A P S S+ 0 0 145 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.816 122.9 46.1 -59.3 -27.7 9.2 6.8 35.3 24 23 A K S S- 0 0 116 1,-0.2 2,-0.3 33,-0.0 -3,-0.0 0.744 123.7 -8.2 -87.0 -26.1 10.5 8.4 32.1 25 24 A V - 0 0 22 -3,-0.4 -3,-2.6 2,-0.0 2,-0.5 -0.997 44.9-133.7-168.1 161.5 7.3 9.4 30.5 26 25 A T E -B 21 0B 83 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.993 29.7-171.8-120.6 125.5 3.5 9.4 30.2 27 26 A L E +B 20 0B 23 -7,-2.4 -7,-2.6 -2,-0.5 3,-0.1 -0.981 23.3 168.9-126.0 123.3 2.2 8.7 26.7 28 27 A T E S+ 0 0 76 -2,-0.5 -12,-2.5 1,-0.2 2,-0.3 0.739 78.7 17.0 -96.1 -31.0 -1.4 9.0 25.6 29 28 A H E S-B 15 0B 74 -14,-0.3 2,-0.7 -9,-0.1 -1,-0.2 -0.896 72.7-122.6-135.9 163.7 -0.6 8.7 21.9 30 29 A R E -B 14 0B 2 -16,-2.2 -16,-0.6 -2,-0.3 2,-0.2 -0.810 28.3-162.2-110.5 87.3 2.3 7.5 19.8 31 30 A D E -B 13 0B 37 -2,-0.7 2,-0.4 -18,-0.2 -18,-0.2 -0.532 17.9-178.2 -67.1 136.0 3.2 10.5 17.6 32 31 A C E -B 12 0B 0 -20,-2.1 -20,-1.8 -2,-0.2 2,-0.4 -0.994 25.0-138.8-146.8 135.6 5.2 9.2 14.7 33 32 A L E -B 11 0B 0 18,-0.4 16,-2.5 -2,-0.4 2,-0.4 -0.730 20.2-171.2 -91.4 136.6 7.0 10.7 11.7 34 33 A F E -BD 10 48B 0 -24,-2.5 -24,-2.6 -2,-0.4 2,-0.3 -0.960 5.9-155.2-124.4 144.8 6.7 8.9 8.3 35 34 A I E -BD 9 47B 0 12,-2.5 12,-2.2 -2,-0.4 2,-0.4 -0.878 2.7-158.4-118.6 156.0 8.7 9.7 5.2 36 35 A E E -BD 8 46B 20 -28,-1.9 -28,-2.2 -2,-0.3 2,-0.5 -0.987 5.9-168.8-133.7 119.8 7.9 9.1 1.6 37 36 A L E -BD 7 45B 0 8,-2.8 8,-2.2 -2,-0.4 2,-0.5 -0.941 5.9-161.2-109.6 131.5 10.6 9.0 -1.1 38 37 A I E -BD 6 44B 32 -32,-2.3 -33,-2.6 -2,-0.5 -32,-1.7 -0.954 9.3-146.6-115.2 128.0 9.5 9.0 -4.7 39 38 A D E > -B 4 0B 0 4,-2.2 3,-1.9 -2,-0.5 -35,-0.2 -0.170 38.0 -84.9 -82.6-177.3 12.0 7.8 -7.4 40 39 A D T 3 S+ 0 0 78 -37,-1.5 -36,-0.1 1,-0.3 -1,-0.1 0.492 127.5 54.9 -68.6 -4.2 12.3 9.1 -11.0 41 40 A K T 3 S- 0 0 118 -38,-0.2 -1,-0.3 2,-0.1 -39,-0.0 0.240 121.9-103.9-109.4 9.2 9.6 6.7 -12.2 42 41 A G < + 0 0 54 -3,-1.9 2,-0.5 1,-0.3 -2,-0.1 0.710 69.6 151.1 78.2 20.2 7.1 8.0 -9.7 43 42 A N - 0 0 67 2,-0.0 -4,-2.2 1,-0.0 2,-0.4 -0.764 34.0-146.6 -89.9 126.1 7.4 5.0 -7.3 44 43 A A E -D 38 0B 43 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.753 16.2-177.3 -97.1 137.8 6.7 5.8 -3.7 45 44 A Y E -D 37 0B 49 -8,-2.2 -8,-2.8 -2,-0.4 2,-0.3 -0.998 13.8-145.8-133.3 133.9 8.4 4.1 -0.7 46 45 A F E -D 36 0B 23 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.729 9.2-166.2-106.5 151.3 7.7 4.8 2.9 47 46 A G E -D 35 0B 0 -12,-2.2 -12,-2.5 -2,-0.3 2,-0.5 -0.987 12.1-144.3-133.2 141.7 9.8 4.8 6.0 48 47 A E E -D 34 0B 2 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.932 14.2-145.5-109.5 125.3 8.8 4.8 9.7 49 48 A C - 0 0 0 -16,-2.5 -16,-0.3 -2,-0.5 51,-0.1 -0.687 4.4-155.3 -89.4 139.7 10.8 6.8 12.2 50 49 A N + 0 0 6 -2,-0.3 -1,-0.1 49,-0.3 2,-0.1 0.391 57.9 112.3 -96.6 6.7 11.2 5.5 15.7 51 50 A A - 0 0 6 10,-0.1 -18,-0.4 48,-0.1 10,-0.2 -0.414 60.0-133.6 -75.8 153.9 11.9 8.9 17.3 52 51 A F B -e 61 0C 10 8,-0.6 10,-2.0 2,-0.3 11,-0.2 -0.510 25.2-101.2-103.5 173.3 9.4 10.4 19.7 53 52 A Q S S+ 0 0 73 8,-0.2 10,-0.3 -22,-0.2 2,-0.2 0.887 106.6 25.1 -60.6 -42.0 7.9 13.9 20.0 54 53 A T S > S- 0 0 80 7,-0.1 3,-0.5 8,-0.1 4,-0.3 -0.732 90.0-104.0-119.5 170.5 10.2 14.8 22.9 55 54 A D T 3 S+ 0 0 107 -2,-0.2 6,-0.1 1,-0.2 5,-0.0 -0.059 75.2 121.0 -87.4 34.8 13.6 13.5 24.1 56 55 A W T 3 S+ 0 0 40 -2,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.787 91.0 22.8 -68.0 -24.9 12.4 11.4 27.0 57 56 A Y S < S+ 0 0 34 -3,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.789 135.2 1.2-106.5 -43.1 14.0 8.3 25.4 58 57 A D - 0 0 36 -4,-0.3 -1,-0.4 2,-0.3 -6,-0.1 -0.948 66.2-112.1-144.9 163.1 16.7 9.6 23.1 59 58 A H S S+ 0 0 127 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.752 96.1 82.4 -70.5 -23.2 18.2 12.9 22.0 60 59 A E - 0 0 5 4,-0.1 -8,-0.6 -6,-0.1 -2,-0.3 -0.677 63.5-178.8 -83.6 137.4 16.8 12.5 18.5 61 60 A T B > -e 52 0C 23 -2,-0.3 4,-2.6 -10,-0.2 5,-0.3 -0.745 45.1 -95.5-126.5 173.5 13.1 13.6 18.2 62 61 A I H > S+ 0 0 2 -10,-2.0 4,-2.3 -2,-0.2 5,-0.2 0.935 126.3 47.6 -56.5 -44.8 10.5 13.7 15.4 63 62 A A H > S+ 0 0 38 -10,-0.3 4,-2.1 -11,-0.2 -1,-0.2 0.916 111.7 47.5 -64.6 -45.2 11.5 17.4 14.8 64 63 A S H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 113.8 48.3 -64.7 -39.5 15.3 16.8 14.7 65 64 A V H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.906 107.8 54.7 -66.2 -41.7 14.9 13.8 12.4 66 65 A K H X S+ 0 0 7 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.940 111.1 45.7 -57.3 -47.0 12.6 15.8 10.0 67 66 A H H X S+ 0 0 120 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.911 113.9 48.8 -63.5 -43.0 15.3 18.5 9.7 68 67 A V H X S+ 0 0 38 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.927 114.7 43.4 -63.9 -46.7 18.1 16.0 9.2 69 68 A I H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.867 111.1 56.0 -68.1 -34.8 16.3 14.0 6.5 70 69 A E H X S+ 0 0 76 -4,-2.4 4,-1.6 -5,-0.3 -2,-0.2 0.928 112.0 42.0 -63.1 -43.8 15.1 17.2 4.8 71 70 A Q H X S+ 0 0 112 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.895 111.1 56.9 -69.6 -39.3 18.7 18.4 4.5 72 71 A W H X S+ 0 0 6 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.903 106.2 50.1 -57.1 -43.3 19.9 15.0 3.5 73 72 A F H X S+ 0 0 10 -4,-2.4 4,-2.7 1,-0.2 3,-0.5 0.903 105.8 55.6 -63.6 -42.2 17.4 15.0 0.6 74 73 A E H < S+ 0 0 107 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.852 112.5 44.1 -59.0 -33.3 18.6 18.4 -0.5 75 74 A D H < S+ 0 0 88 -4,-1.6 -1,-0.2 -3,-0.1 -2,-0.2 0.655 125.4 30.2 -86.5 -16.6 22.1 16.9 -0.7 76 75 A N H >< S+ 0 0 13 -4,-1.2 3,-1.7 -3,-0.5 -72,-0.4 0.498 82.9 123.4-121.4 -5.7 21.2 13.6 -2.4 77 76 A R T 3< S+ 0 0 93 -4,-2.7 -72,-0.2 1,-0.2 3,-0.1 -0.271 80.6 14.2 -60.5 143.0 18.2 14.3 -4.6 78 77 A N T 3 S+ 0 0 91 -74,-2.7 2,-0.4 1,-0.3 -1,-0.2 0.457 90.6 134.8 71.4 2.9 18.6 13.5 -8.3 79 78 A K < - 0 0 103 -3,-1.7 -75,-0.6 -75,-0.2 2,-0.3 -0.704 52.1-131.5 -83.9 131.3 21.7 11.4 -7.6 80 79 A S E +A 3 0A 77 -2,-0.4 2,-0.3 -77,-0.2 -77,-0.2 -0.611 29.7 170.4 -88.0 142.8 21.7 8.1 -9.5 81 80 A F E -A 2 0A 9 -79,-2.2 -79,-1.9 -2,-0.3 3,-0.0 -0.985 20.5-163.5-147.8 140.3 22.5 4.8 -7.9 82 81 A E + 0 0 149 -2,-0.3 2,-0.3 -81,-0.2 3,-0.1 0.541 68.2 41.3-104.1 -9.2 22.0 1.3 -9.2 83 82 A T S > S- 0 0 62 1,-0.1 4,-2.4 -81,-0.1 5,-0.1 -0.925 74.9-116.2-140.1 164.9 22.3 -0.9 -6.1 84 83 A Y H > S+ 0 0 27 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.940 118.4 52.6 -59.9 -48.6 21.3 -1.2 -2.5 85 84 A E H > S+ 0 0 111 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.906 110.3 47.3 -55.2 -44.1 24.9 -1.0 -1.5 86 85 A A H > S+ 0 0 36 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.882 110.0 53.9 -65.4 -38.4 25.3 2.2 -3.5 87 86 A A H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 4,-0.4 0.917 104.8 53.7 -61.9 -44.6 22.2 3.6 -1.9 88 87 A L H >< S+ 0 0 13 -4,-2.6 3,-1.4 1,-0.3 4,-0.3 0.791 96.4 67.6 -61.8 -29.0 23.5 2.9 1.6 89 88 A K H >< S+ 0 0 108 -4,-1.1 3,-1.1 1,-0.3 4,-0.3 0.814 91.1 62.7 -61.6 -29.6 26.6 4.9 0.8 90 89 A L T << S+ 0 0 36 -3,-1.2 -1,-0.3 -4,-0.7 3,-0.3 0.707 104.7 46.6 -69.4 -19.9 24.5 8.1 0.6 91 90 A V T X S+ 0 0 0 -3,-1.4 3,-2.3 -4,-0.4 -1,-0.2 0.343 78.0 101.7-104.1 6.7 23.6 7.7 4.2 92 91 A D G X S+ 0 0 67 -3,-1.1 3,-1.1 -4,-0.3 -1,-0.2 0.842 78.7 60.0 -57.3 -31.5 27.1 7.0 5.6 93 92 A S G 3 S+ 0 0 86 -4,-0.3 -1,-0.3 -3,-0.3 3,-0.2 0.393 94.3 65.6 -78.3 3.7 27.1 10.7 6.7 94 93 A L G X + 0 0 13 -3,-2.3 3,-1.9 1,-0.1 7,-0.4 0.244 62.3 108.1-108.9 12.1 24.1 10.1 9.0 95 94 A E T < S+ 0 0 105 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.755 74.3 61.2 -61.5 -23.2 25.7 7.7 11.4 96 95 A N T 3 S+ 0 0 117 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.633 108.4 45.0 -76.7 -14.8 25.7 10.4 14.1 97 96 A T S <> S+ 0 0 19 -3,-1.9 4,-2.4 1,-0.1 3,-0.4 -0.649 71.2 171.0-128.7 71.4 21.9 10.5 13.8 98 97 A P H > S+ 0 0 24 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.801 74.1 55.7 -52.6 -39.1 20.9 6.8 13.8 99 98 A A H > S+ 0 0 4 2,-0.2 4,-1.4 1,-0.2 -49,-0.3 0.917 111.9 43.4 -64.0 -42.3 17.2 7.4 14.1 100 99 A A H > S+ 0 0 0 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.933 114.8 50.1 -67.2 -45.5 17.1 9.6 11.0 101 100 A R H X S+ 0 0 2 -4,-2.4 4,-2.6 -7,-0.4 -2,-0.2 0.923 107.8 53.2 -58.8 -46.0 19.4 7.2 9.1 102 101 A A H X S+ 0 0 9 -4,-2.9 4,-1.9 144,-0.3 149,-0.3 0.845 105.2 55.2 -59.6 -35.6 17.2 4.2 10.0 103 102 A T H X S+ 0 0 1 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.923 111.4 42.8 -64.3 -45.7 14.1 5.9 8.6 104 103 A I H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 3,-0.4 0.910 111.6 54.9 -67.4 -42.4 15.7 6.5 5.3 105 104 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.868 100.9 59.3 -60.1 -36.8 17.3 3.0 5.2 106 105 A M H X S+ 0 0 12 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.902 111.0 41.9 -59.8 -39.6 13.8 1.4 5.7 107 106 A A H X S+ 0 0 0 -4,-1.1 4,-0.7 -3,-0.4 3,-0.4 0.932 113.8 51.0 -72.5 -45.4 12.6 3.1 2.5 108 107 A L H >X S+ 0 0 1 -4,-2.6 3,-1.4 1,-0.2 4,-0.5 0.894 103.3 60.2 -58.9 -42.0 15.8 2.4 0.5 109 108 A Y H >X S+ 0 0 37 -4,-3.0 3,-1.4 1,-0.3 4,-0.5 0.885 100.3 55.4 -54.5 -40.7 15.7 -1.3 1.5 110 109 A Q H 3< S+ 0 0 34 -4,-1.0 -1,-0.3 -3,-0.4 3,-0.2 0.714 97.1 64.8 -67.9 -18.8 12.3 -1.6 -0.2 111 110 A M H << S+ 0 0 18 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.645 114.0 29.9 -77.7 -13.8 13.7 -0.3 -3.5 112 111 A F H << S+ 0 0 59 -3,-1.4 2,-0.3 -4,-0.5 -2,-0.2 0.302 109.2 65.5-130.6 10.1 16.0 -3.3 -3.8 113 112 A H < - 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0 0 67 -2,-0.1 4,-3.0 1,-0.1 5,-0.2 -0.326 56.1-104.4 -77.7 169.3 -4.7 -10.0 36.2 131 130 A N H > S+ 0 0 121 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.905 124.3 53.4 -62.7 -39.8 -7.4 -12.4 35.2 132 131 A K H > S+ 0 0 175 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.931 112.1 44.6 -60.2 -45.0 -7.4 -10.8 31.7 133 132 A Q H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.941 114.3 48.4 -64.9 -47.8 -3.7 -11.4 31.4 134 133 A L H X S+ 0 0 28 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.898 110.9 49.9 -61.9 -42.1 -3.8 -14.9 32.7 135 134 A E H X S+ 0 0 88 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.873 109.4 52.9 -65.2 -35.0 -6.7 -15.9 30.4 136 135 A S H X S+ 0 0 48 -4,-1.7 4,-2.6 -5,-0.2 5,-0.3 0.929 109.1 49.1 -64.4 -45.4 -4.8 -14.4 27.5 137 136 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.922 111.6 49.1 -60.5 -44.3 -1.7 -16.5 28.3 138 137 A K H < S+ 0 0 99 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.893 115.9 42.8 -62.9 -40.8 -3.8 -19.7 28.6 139 138 A A H < S+ 0 0 84 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.855 120.4 38.8 -75.6 -37.2 -5.5 -19.1 25.3 140 139 A T H < S- 0 0 32 -4,-2.6 177,-0.2 -5,-0.2 -2,-0.2 0.710 85.8-152.2 -88.9 -22.6 -2.5 -18.0 23.2 141 140 A K < - 0 0 120 -4,-2.1 -3,-0.1 -5,-0.3 -19,-0.1 0.917 16.3-158.1 50.4 58.0 0.1 -20.4 24.6 142 141 A P - 0 0 0 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.267 18.8-138.3 -63.7 150.1 3.2 -18.2 24.0 143 142 A T S S+ 0 0 76 -21,-1.3 25,-2.6 174,-0.3 2,-0.3 0.537 91.4 33.9 -86.3 -6.2 6.6 -20.0 23.8 144 143 A R E -hi 123 168E 4 -22,-0.7 -20,-2.7 23,-0.3 2,-0.4 -0.989 65.7-165.8-148.6 138.1 8.1 -17.1 25.9 145 144 A I E -hi 124 169E 0 23,-2.5 25,-2.6 -2,-0.3 2,-0.7 -0.994 6.9-158.2-127.8 124.4 6.7 -15.0 28.7 146 145 A K E -hi 125 170E 30 -22,-2.9 -20,-2.9 -2,-0.4 2,-0.5 -0.909 15.9-165.1-104.3 109.4 8.4 -11.8 29.9 147 146 A L E -hi 126 171E 0 23,-2.8 25,-2.0 -2,-0.7 2,-0.2 -0.823 17.0-126.4-100.0 131.2 7.2 -11.1 33.4 148 147 A K E - i 0 172E 90 -22,-2.7 2,-0.4 -2,-0.5 25,-0.2 -0.516 29.5-110.4 -74.5 137.3 7.8 -7.6 34.9 149 148 A W + 0 0 20 23,-2.8 -1,-0.1 -2,-0.2 22,-0.0 -0.542 54.6 149.0 -70.5 125.7 9.5 -7.6 38.3 150 149 A T > - 0 0 29 -2,-0.4 3,-2.0 -3,-0.0 4,-0.2 -0.870 66.0 -89.3-143.7 173.6 7.1 -6.6 41.0 151 150 A P T 3 S+ 0 0 118 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.732 127.5 56.7 -62.5 -16.7 6.8 -7.5 44.7 152 151 A Q T 3> S+ 0 0 96 1,-0.2 4,-1.9 2,-0.1 3,-0.3 0.346 71.2 115.9 -94.0 4.8 4.6 -10.4 43.6 153 152 A I H <> S+ 0 0 0 -3,-2.0 4,-2.3 1,-0.2 3,-0.2 0.842 78.5 41.0 -45.1 -50.8 7.1 -12.0 41.2 154 153 A M H > S+ 0 0 41 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.882 114.5 52.5 -69.7 -35.4 7.6 -15.3 43.0 155 154 A H H > S+ 0 0 120 -3,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.768 113.6 45.9 -69.1 -24.6 3.9 -15.6 43.8 156 155 A Q H X S+ 0 0 23 -4,-1.9 4,-2.4 -3,-0.2 3,-0.3 0.834 106.1 55.5 -86.3 -36.3 3.2 -15.1 40.1 157 156 A I H X S+ 0 0 3 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.885 102.4 60.4 -63.2 -33.7 5.8 -17.4 38.7 158 157 A R H < S+ 0 0 202 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.877 107.4 44.5 -60.2 -37.5 4.1 -20.1 40.9 159 158 A V H >< S+ 0 0 62 -4,-0.6 3,-1.7 -3,-0.3 -2,-0.2 0.929 111.5 52.7 -71.7 -45.7 0.9 -19.5 38.9 160 159 A L H >< S+ 0 0 3 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.850 100.8 60.6 -59.7 -36.0 2.7 -19.5 35.5 161 160 A R T 3< S+ 0 0 70 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.527 97.8 60.4 -72.7 -2.2 4.4 -22.8 36.2 162 161 A E T < S+ 0 0 161 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.417 77.4 115.4-101.0 -0.8 1.0 -24.5 36.4 163 162 A L S < S- 0 0 20 -3,-1.7 -25,-0.0 -4,-0.2 -3,-0.0 -0.360 77.1-120.4 -64.6 149.5 0.1 -23.5 32.9 164 163 A D S S+ 0 0 146 2,-0.1 2,-0.3 -26,-0.0 -1,-0.1 0.157 89.2 65.8 -83.3 23.1 -0.4 -26.5 30.6 165 164 A F S S- 0 0 30 -23,-0.0 2,-0.2 2,-0.0 -2,-0.1 -0.994 80.7-117.9-142.3 147.5 2.3 -25.4 28.2 166 165 A H + 0 0 152 -2,-0.3 2,-0.3 -25,-0.1 -2,-0.1 -0.596 38.3 166.8 -84.7 144.2 6.1 -25.0 28.4 167 166 A F - 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