==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 24-JAN-06 2FTP . COMPND 2 MOLECULE: HYDROXYMETHYLGLUTARYL-COA LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR T.XIAO,E.EVDOKIMOVA,Y.LIU,M.KUDRITSKA,A.SAVCHENKO,E.F.PAI,A. . 300 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.0 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 . 0 0.0 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 . 22 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.0 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 0 1 1 2 2 1 0 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 0 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 144 0, 0.0 223,-0.1 0, 0.0 222,-0.0 0.000 360.0 360.0 360.0 81.1 8.8 -43.8 -77.1 2 2 A N + 0 0 140 221,-0.1 3,-0.1 222,-0.0 224,-0.0 -0.812 360.0 159.4 79.5 -5.1 6.2 -45.6 -76.3 3 3 A L - 0 0 25 1,-0.1 221,-0.1 222,-0.1 225,-0.1 -0.441 49.2 -95.1 -66.8 150.3 8.2 -45.3 -73.0 4 4 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.334 22.5-149.6 -55.9 149.9 6.4 -45.9 -69.7 5 5 A K S S+ 0 0 176 1,-0.2 260,-2.5 259,-0.1 2,-0.3 0.564 85.5 35.1 -94.1 -14.7 5.2 -42.8 -68.0 6 6 A K B -a 265 0A 122 258,-0.2 2,-0.3 260,-0.1 -1,-0.2 -0.998 69.7-173.3-145.1 136.1 5.7 -44.4 -64.6 7 7 A V - 0 0 2 258,-2.7 2,-0.5 -2,-0.3 222,-0.2 -0.975 19.5-132.3-135.1 147.2 8.3 -46.9 -63.4 8 8 A R E -b 229 0B 74 220,-3.2 222,-2.3 -2,-0.3 2,-0.7 -0.890 13.6-153.2 -98.6 122.7 8.8 -48.9 -60.2 9 9 A L E -b 230 0B 4 -2,-0.5 2,-0.9 257,-0.3 35,-0.4 -0.897 7.0-155.5 -92.8 118.6 12.3 -48.8 -58.6 10 10 A V E -b 231 0B 0 220,-2.5 222,-2.2 -2,-0.7 2,-0.8 -0.844 11.8-148.3 -94.2 102.6 12.8 -52.1 -56.6 11 11 A E E +bc 232 45B 0 33,-2.2 35,-2.9 -2,-0.9 222,-0.2 -0.637 28.7 165.4 -80.3 108.3 15.4 -51.2 -54.0 12 12 A V >>> + 0 0 0 220,-2.7 5,-2.0 -2,-0.8 4,-0.9 0.314 42.3 109.6-105.2 5.3 17.5 -54.3 -53.2 13 13 A G T 34>S+ 0 0 0 219,-0.6 5,-2.5 1,-0.2 6,-0.2 0.906 76.2 49.3 -44.4 -57.9 20.4 -52.4 -51.5 14 14 A P T 345S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 33,-0.1 0.709 128.0 20.5 -64.1 -21.8 19.6 -53.7 -47.9 15 15 A R T <>5S+ 0 0 15 -3,-0.8 4,-2.8 31,-0.5 5,-0.2 0.791 135.0 26.6-107.9 -73.1 19.4 -57.3 -49.0 16 16 A D H X5S+ 0 0 16 -4,-0.9 4,-1.0 2,-0.2 -3,-0.2 0.856 128.0 45.2 -64.9 -38.4 21.1 -58.1 -52.2 17 17 A G H >44> - 0 0 141 -2,-0.3 4,-1.8 1,-0.1 3,-0.8 -0.337 31.8-122.6 -68.6 147.3 25.0 -53.6 -37.3 27 27 A V H 3> S+ 0 0 44 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.805 112.5 60.3 -55.6 -34.5 21.2 -54.0 -37.1 28 28 A A H 3> S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.857 106.5 45.6 -65.1 -36.6 21.0 -50.3 -36.1 29 29 A D H <> S+ 0 0 52 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.821 110.6 52.5 -76.4 -35.2 22.6 -49.2 -39.4 30 30 A K H X S+ 0 0 10 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.899 109.5 50.3 -62.9 -41.9 20.4 -51.5 -41.5 31 31 A I H X S+ 0 0 34 -4,-2.3 4,-2.7 1,-0.2 39,-0.2 0.930 110.7 48.7 -61.8 -47.0 17.4 -50.0 -39.8 32 32 A R H X S+ 0 0 111 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.894 109.8 53.5 -59.5 -43.0 18.6 -46.5 -40.6 33 33 A L H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.966 112.2 42.5 -52.9 -59.3 19.3 -47.6 -44.2 34 34 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.872 115.1 50.8 -58.6 -41.1 15.7 -48.9 -44.7 35 35 A D H X S+ 0 0 41 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.890 110.4 49.0 -65.2 -40.8 14.3 -45.8 -42.9 36 36 A D H X S+ 0 0 18 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.893 112.0 50.0 -63.7 -39.6 16.4 -43.5 -45.1 37 37 A L H <>S+ 0 0 0 -4,-2.7 5,-1.6 2,-0.2 4,-0.2 0.875 109.3 49.9 -66.9 -38.1 15.1 -45.4 -48.2 38 38 A S H ><5S+ 0 0 2 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.886 109.5 53.0 -64.9 -38.9 11.5 -45.1 -47.0 39 39 A A H 3<5S+ 0 0 55 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.742 98.8 64.1 -66.9 -24.6 12.2 -41.4 -46.5 40 40 A A T 3<5S- 0 0 1 -4,-1.1 229,-2.8 232,-0.2 -1,-0.3 0.548 120.0-110.1 -75.5 -7.5 13.4 -41.3 -50.2 41 41 A G T < 5 + 0 0 38 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.570 61.8 157.7 91.1 11.6 9.9 -42.2 -51.2 42 42 A L < - 0 0 3 -5,-1.6 -1,-0.3 1,-0.1 3,-0.1 -0.442 29.2-163.4 -66.2 141.0 10.6 -45.7 -52.4 43 43 A D S S+ 0 0 66 -34,-0.3 33,-2.6 1,-0.2 2,-0.3 0.332 75.6 47.2-107.0 5.7 7.5 -47.9 -52.5 44 44 A Y E + d 0 76B 2 -35,-0.4 -33,-2.2 31,-0.2 2,-0.4 -0.902 61.4 166.4-147.8 118.2 9.5 -51.2 -52.7 45 45 A I E -cd 11 77B 0 31,-2.9 33,-2.3 -2,-0.3 2,-0.9 -0.996 31.8-141.2-133.8 127.1 12.4 -52.2 -50.5 46 46 A E E - d 0 78B 0 -35,-2.9 -31,-0.5 -2,-0.4 33,-0.2 -0.804 26.5-175.1 -85.3 107.4 14.0 -55.6 -50.0 47 47 A V E - 0 0 6 31,-2.7 2,-0.3 -2,-0.9 32,-0.2 0.837 46.1 -47.6 -81.8 -35.8 14.7 -55.4 -46.3 48 48 A G E - d 0 79B 1 30,-0.9 32,-2.2 17,-0.0 2,-0.3 -0.924 52.1 -97.1-178.1-166.5 16.5 -58.6 -45.6 49 49 A S E - d 0 80B 2 10,-0.4 13,-0.3 -2,-0.3 32,-0.2 -0.983 4.4-149.8-145.9 147.3 16.8 -62.3 -45.9 50 50 A F + 0 0 24 30,-2.4 39,-0.1 -2,-0.3 31,-0.1 -0.052 56.9 129.4-112.8 26.0 15.9 -65.4 -43.9 51 51 A V S S- 0 0 28 1,-0.1 -2,-0.1 29,-0.1 29,-0.0 -0.382 81.2 -80.1 -57.0 154.2 18.7 -67.4 -45.4 52 52 A S >> - 0 0 29 1,-0.2 3,-2.1 -2,-0.1 4,-1.7 -0.563 32.9-144.1 -65.8 117.8 20.7 -69.0 -42.5 53 53 A P T 34 S+ 0 0 64 0, 0.0 7,-0.2 0, 0.0 -1,-0.2 0.770 96.9 78.0 -54.3 -24.6 23.0 -66.3 -41.1 54 54 A K T 34 S+ 0 0 164 1,-0.2 -2,-0.0 2,-0.2 -3,-0.0 0.861 107.5 28.1 -45.3 -41.6 25.4 -69.3 -40.7 55 55 A W T <4 S+ 0 0 182 -3,-2.1 -1,-0.2 1,-0.2 3,-0.1 0.765 134.0 33.4 -94.7 -32.8 26.0 -69.0 -44.4 56 56 A V >< + 0 0 18 -4,-1.7 3,-1.9 1,-0.1 4,-0.5 -0.726 58.1 174.3-130.3 83.0 25.4 -65.3 -44.8 57 57 A P G > S+ 0 0 69 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.812 78.9 70.9 -54.5 -32.7 26.4 -63.3 -41.6 58 58 A Q G 3 S+ 0 0 31 1,-0.2 -33,-0.4 -39,-0.2 -39,-0.1 0.803 100.0 47.2 -52.7 -32.2 25.6 -60.1 -43.6 59 59 A M G X S+ 0 0 3 -3,-1.9 3,-1.1 -6,-0.1 -10,-0.4 0.534 82.5 123.6 -92.5 -7.4 21.9 -61.0 -43.3 60 60 A A T < S+ 0 0 38 -3,-1.2 -8,-0.0 -4,-0.5 -10,-0.0 -0.148 70.1 29.8 -49.1 143.7 21.9 -61.9 -39.5 61 61 A G T 3> S+ 0 0 19 3,-0.1 4,-2.4 -13,-0.0 -1,-0.2 0.575 71.1 139.4 78.7 10.7 19.3 -59.9 -37.5 62 62 A S H <> S+ 0 0 6 -3,-1.1 4,-2.7 -13,-0.3 5,-0.2 0.887 73.3 53.3 -52.6 -42.6 16.8 -59.5 -40.4 63 63 A A H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 108.3 49.5 -57.1 -45.0 14.0 -60.1 -37.9 64 64 A E H > S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.867 109.1 53.3 -64.2 -37.7 15.3 -57.4 -35.7 65 65 A V H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.946 108.9 48.1 -60.5 -50.1 15.5 -55.1 -38.7 66 66 A F H < S+ 0 0 8 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.874 114.0 47.4 -56.4 -38.7 11.8 -55.8 -39.6 67 67 A A H < S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.808 116.7 44.2 -72.8 -31.7 10.9 -55.1 -35.9 68 68 A G H < S+ 0 0 38 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.730 90.5 95.7 -87.5 -26.7 13.0 -51.9 -35.8 69 69 A I S < S- 0 0 13 -4,-2.3 2,-1.1 -5,-0.1 -37,-0.1 -0.350 77.0-121.7 -72.1 145.4 12.1 -50.2 -39.1 70 70 A R - 0 0 157 -39,-0.2 2,-0.6 -2,-0.0 -1,-0.1 -0.786 35.0-152.9 -80.1 100.2 9.4 -47.5 -39.4 71 71 A Q - 0 0 79 -2,-1.1 -36,-0.0 -5,-0.1 5,-0.0 -0.710 0.8-146.1 -82.7 118.3 7.2 -49.3 -42.0 72 72 A R > - 0 0 95 -2,-0.6 3,-1.7 1,-0.1 -2,-0.0 -0.723 17.6-125.4 -82.9 135.6 5.2 -46.9 -44.1 73 73 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.750 104.5 48.1 -55.7 -35.0 1.7 -48.3 -45.1 74 74 A G T 3 S+ 0 0 70 2,-0.1 2,-0.4 -3,-0.0 -3,-0.0 0.414 97.7 88.7 -87.7 6.5 2.0 -47.8 -48.9 75 75 A V S < S- 0 0 23 -3,-1.7 2,-0.5 -31,-0.0 -31,-0.2 -0.826 70.3-134.7-109.9 135.5 5.4 -49.4 -49.2 76 76 A T E -d 44 0B 47 -33,-2.6 -31,-2.9 -2,-0.4 2,-0.7 -0.800 12.8-164.9 -92.3 129.6 6.3 -53.1 -49.6 77 77 A Y E -d 45 0B 13 -2,-0.5 19,-0.5 -33,-0.2 20,-0.5 -0.928 20.3-172.0-112.0 100.3 9.1 -54.4 -47.4 78 78 A A E -d 46 0B 0 -33,-2.3 -31,-2.7 -2,-0.7 -30,-0.9 -0.502 11.1-161.4 -99.0 162.0 10.1 -57.7 -48.9 79 79 A A E -de 48 98B 0 18,-1.6 20,-1.3 -33,-0.2 2,-0.3 -0.991 24.5-113.0-140.4 146.6 12.4 -60.4 -47.7 80 80 A L E -de 49 99B 13 -32,-2.2 -30,-2.4 -2,-0.3 20,-0.1 -0.653 27.7-173.8 -75.8 134.5 14.2 -63.3 -49.4 81 81 A A + 0 0 0 18,-1.9 6,-0.1 -2,-0.3 -30,-0.1 -0.871 5.7 180.0-132.0 98.4 12.9 -66.7 -48.3 82 82 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 19,-0.1 0.478 67.1 -3.6 -81.2 -5.8 15.2 -69.4 -49.8 83 83 A N S > S- 0 0 49 -33,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.942 88.0 -76.1-169.9-179.8 13.3 -72.4 -48.2 84 84 A L H > S+ 0 0 68 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.893 124.6 47.9 -61.6 -48.0 10.3 -73.3 -45.9 85 85 A K H > S+ 0 0 136 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.847 112.4 52.3 -65.7 -32.1 12.0 -72.6 -42.6 86 86 A G H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.915 109.5 49.1 -63.8 -46.4 13.1 -69.2 -44.0 87 87 A F H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.915 110.7 50.4 -56.8 -45.7 9.5 -68.5 -45.0 88 88 A E H X S+ 0 0 107 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.903 109.9 49.4 -63.4 -41.3 8.3 -69.5 -41.5 89 89 A A H X S+ 0 0 41 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.876 111.3 50.6 -61.8 -39.2 10.8 -67.2 -39.9 90 90 A A H <>S+ 0 0 1 -4,-2.2 5,-2.1 2,-0.2 3,-0.4 0.915 108.6 51.5 -63.7 -45.7 9.7 -64.4 -42.3 91 91 A L H ><5S+ 0 0 53 -4,-2.9 3,-2.2 1,-0.2 -2,-0.2 0.946 105.5 55.1 -53.2 -51.2 6.1 -65.1 -41.3 92 92 A E H 3<5S+ 0 0 171 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.796 107.4 52.4 -52.3 -31.9 7.1 -64.8 -37.6 93 93 A S T 3<5S- 0 0 29 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.433 118.7-110.0 -87.3 1.0 8.5 -61.3 -38.6 94 94 A G T < 5 + 0 0 36 -3,-2.2 2,-0.3 -4,-0.3 -3,-0.2 0.789 54.5 171.7 77.7 26.7 5.2 -60.1 -40.2 95 95 A V < - 0 0 6 -5,-2.1 -1,-0.2 1,-0.1 -17,-0.1 -0.568 19.2-171.2 -73.6 127.4 6.7 -60.2 -43.8 96 96 A K + 0 0 142 -19,-0.5 41,-1.8 -2,-0.3 2,-0.3 0.527 69.7 33.6 -98.9 -8.4 4.0 -59.6 -46.4 97 97 A E E - f 0 137B 7 -20,-0.5 -18,-1.6 39,-0.2 2,-0.3 -0.970 61.8-178.3-151.3 134.7 6.1 -60.4 -49.5 98 98 A V E -ef 79 138B 0 39,-2.2 41,-2.4 -2,-0.3 2,-0.4 -0.826 16.7-137.4-124.9 165.5 8.9 -62.8 -50.2 99 99 A A E -ef 80 139B 0 -20,-1.3 -18,-1.9 -2,-0.3 2,-0.2 -0.973 14.3-172.3-124.2 137.7 11.1 -63.6 -53.2 100 100 A V E - f 0 140B 1 39,-2.6 41,-2.2 -2,-0.4 2,-0.3 -0.601 15.1-140.1-113.5-176.5 12.2 -67.0 -54.4 101 101 A F E + f 0 141B 50 39,-0.2 2,-0.3 -2,-0.2 41,-0.2 -0.969 20.4 171.8-150.5 154.9 14.8 -67.7 -57.2 102 102 A A E - f 0 142B 8 39,-1.4 41,-1.8 -2,-0.3 2,-0.3 -0.906 25.0-123.9-153.8 172.5 15.5 -69.9 -60.2 103 103 A A E - f 0 143B 8 -2,-0.3 41,-0.2 39,-0.3 17,-0.1 -0.920 6.4-147.0-128.5 149.4 18.1 -70.0 -63.0 104 104 A A S S+ 0 0 2 39,-1.9 2,-0.5 -2,-0.3 40,-0.1 0.530 86.2 70.2 -89.4 -8.7 17.9 -70.1 -66.8 105 105 A S > - 0 0 6 38,-0.2 4,-2.5 1,-0.1 5,-0.1 -0.947 63.9-157.9-118.5 121.3 21.0 -72.3 -67.0 106 106 A E H > S+ 0 0 84 -2,-0.5 4,-2.8 2,-0.2 5,-0.2 0.910 99.3 52.9 -56.0 -46.6 21.1 -75.9 -66.0 107 107 A A H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 111.5 46.1 -57.5 -44.2 24.9 -75.7 -65.6 108 108 A F H > S+ 0 0 11 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.871 109.9 54.3 -67.7 -38.7 24.5 -72.6 -63.3 109 109 A S H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 6,-1.0 0.950 109.5 47.4 -57.0 -52.1 21.8 -74.4 -61.3 110 110 A Q H X S+ 0 0 91 -4,-2.8 4,-1.1 4,-0.2 -2,-0.2 0.910 118.8 40.6 -55.3 -44.2 24.1 -77.4 -60.7 111 111 A R H < S+ 0 0 170 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.893 119.2 41.7 -73.9 -42.8 27.0 -75.2 -59.6 112 112 A N H < S+ 0 0 93 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.853 138.0 5.6 -77.8 -35.9 25.2 -72.5 -57.6 113 113 A I H < S- 0 0 52 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.259 94.4-114.6-139.4 7.8 22.7 -74.7 -55.7 114 114 A N S < S+ 0 0 141 -4,-1.1 2,-0.3 -5,-0.5 -4,-0.2 0.709 83.2 78.7 65.2 24.8 23.6 -78.4 -56.5 115 115 A C S S- 0 0 24 -6,-1.0 -2,-0.3 -9,-0.1 -1,-0.2 -0.964 80.1 -91.6-149.7 173.2 20.4 -79.3 -58.3 116 116 A S > - 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0 0 8 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.853 45.8-117.2 -98.4 134.0 9.4 -40.7 -66.0 265 265 A H B +a 6 0A 119 -260,-2.5 -258,-2.7 -2,-0.4 -5,-0.0 -0.557 47.9 149.6 -76.0 129.7 7.6 -40.8 -62.6 266 266 A T - 0 0 19 -2,-0.3 -257,-0.3 -260,-0.2 -1,-0.2 0.498 51.5-129.2-124.1 -20.3 9.1 -42.9 -59.9 267 267 A G + 0 0 41 1,-0.3 2,-0.4 -225,-0.1 -2,-0.1 0.413 66.6 130.8 80.1 0.8 8.1 -41.0 -56.7 268 268 A V - 0 0 13 -12,-0.0 2,-0.6 4,-0.0 -1,-0.3 -0.731 53.5-140.4 -97.4 135.1 11.7 -41.2 -55.6 269 269 A D > - 0 0 86 -229,-2.8 4,-2.5 -2,-0.4 5,-0.2 -0.824 5.2-154.1 -96.5 120.4 13.6 -38.2 -54.3 270 270 A M H > S+ 0 0 25 -2,-0.6 4,-3.3 2,-0.2 5,-0.3 0.895 91.1 51.5 -61.5 -48.4 17.2 -38.0 -55.5 271 271 A H H > S+ 0 0 150 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.931 115.2 42.6 -57.6 -49.6 18.7 -35.9 -52.7 272 272 A A H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 114.7 51.5 -62.7 -41.1 17.2 -38.3 -50.0 273 273 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.932 112.8 45.0 -60.5 -48.9 18.2 -41.4 -52.1 274 274 A V H X S+ 0 0 9 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.895 110.8 55.2 -61.4 -42.9 21.8 -40.1 -52.3 275 275 A D H X S+ 0 0 53 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.905 107.9 48.3 -56.8 -44.2 21.7 -39.2 -48.6 276 276 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.912 113.5 47.5 -60.7 -46.0 20.8 -42.8 -47.7 277 277 A G H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.858 110.1 52.4 -63.8 -39.3 23.6 -44.1 -50.0 278 278 A Q H X S+ 0 0 92 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.942 108.9 49.5 -62.2 -50.0 26.1 -41.8 -48.5 279 279 A R H X S+ 0 0 75 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.880 112.8 46.0 -59.6 -42.7 25.4 -42.7 -44.9 280 280 A I H X S+ 0 0 4 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.850 109.8 53.4 -72.4 -34.1 25.6 -46.5 -45.6 281 281 A C H X S+ 0 0 4 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.910 108.3 50.8 -67.0 -40.5 28.8 -46.2 -47.6 282 282 A A H >< S+ 0 0 78 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.931 109.5 50.6 -59.2 -48.3 30.4 -44.3 -44.6 283 283 A V H 3< S+ 0 0 51 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.893 129.6 22.5 -51.3 -42.5 29.3 -47.1 -42.3 284 284 A L H 3< S- 0 0 14 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.729 103.5-148.6 -67.1 -34.8 30.9 -49.6 -44.7 285 285 A G << + 0 0 52 -4,-1.2 2,-0.1 -3,-0.6 -3,-0.1 0.132 43.5 139.0-105.8 114.0 32.9 -47.4 -46.0 286 286 A K - 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