==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-FEB-06 2G39 . COMPND 2 MOLECULE: ACETYL-COA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.CHANG,E.EVDOKIMOVA,M.KUDRITSKA,A.SAVCHENKO,A.EDWARDS,A.JOA . 989 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 674 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 62 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 2 2 2 8 5 5 1 2 1 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 6 10 4 2 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 PARALLEL BRIDGES PER LADDER . 10 7 1 2 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 . 4 2 3 0 0 0 1 2 0 1 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 3 A R 0 0 106 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.0 50.2 19.5 76.6 2 4 A D + 0 0 127 1,-0.0 3,-0.2 130,-0.0 131,-0.1 0.708 360.0 39.0 -79.8 -24.7 52.8 21.3 74.6 3 5 A R S S+ 0 0 43 1,-0.2 130,-3.1 129,-0.1 2,-0.7 0.835 118.6 41.6 -95.5 -39.4 52.0 18.7 71.9 4 6 A V B +a 133 0A 7 128,-0.2 -1,-0.2 1,-0.1 130,-0.2 -0.838 64.5 173.6-113.7 91.9 48.2 18.2 72.0 5 7 A R + 0 0 57 128,-2.5 129,-0.1 -2,-0.7 -1,-0.1 0.416 64.9 72.1 -90.5 1.9 46.9 21.6 72.5 6 8 A L S > S- 0 0 36 1,-0.1 3,-1.8 127,-0.1 4,-0.3 -0.936 74.1-160.5-110.3 99.3 43.2 20.6 72.2 7 9 A P G > S+ 0 0 91 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.784 82.2 64.5 -59.7 -33.4 42.8 18.8 75.5 8 10 A S G > S+ 0 0 82 1,-0.3 3,-1.3 2,-0.2 4,-0.1 0.786 91.1 67.7 -62.1 -24.6 39.7 16.8 74.6 9 11 A L G X S+ 0 0 8 -3,-1.8 3,-2.6 1,-0.2 -1,-0.3 0.688 76.3 85.3 -67.5 -17.8 41.8 14.9 72.0 10 12 A L G X S+ 0 0 94 -3,-1.8 3,-1.3 -4,-0.3 -1,-0.2 0.744 76.5 68.3 -57.7 -25.0 43.8 13.3 74.8 11 13 A D G < S+ 0 0 125 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.653 94.6 57.9 -65.3 -14.2 41.0 10.6 75.0 12 14 A K G < S+ 0 0 67 -3,-2.6 200,-2.6 -4,-0.1 2,-0.3 0.424 76.5 116.7 -96.3 -1.4 42.3 9.4 71.6 13 15 A V B < +d 212 0B 60 -3,-1.3 2,-0.3 -4,-0.2 200,-0.2 -0.526 41.0 143.1 -67.3 127.9 45.8 8.8 72.9 14 16 A X - 0 0 38 198,-2.7 200,-0.4 -2,-0.3 -2,-0.1 -0.941 49.9 -68.9-155.5 174.6 46.5 5.1 72.6 15 17 A S > - 0 0 65 -2,-0.3 4,-2.6 198,-0.1 5,-0.2 -0.351 38.9-118.4 -69.7 153.7 49.2 2.5 71.7 16 18 A A H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.884 117.8 53.8 -52.2 -42.6 50.6 2.1 68.2 17 19 A A H > S+ 0 0 64 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.920 108.6 46.5 -63.2 -46.7 49.3 -1.5 68.4 18 20 A E H 4 S+ 0 0 111 1,-0.2 3,-0.2 2,-0.2 4,-0.2 0.929 114.3 49.0 -61.7 -42.5 45.7 -0.4 69.2 19 21 A A H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.913 108.4 53.1 -62.0 -43.7 45.9 2.3 66.4 20 22 A A H >< S+ 0 0 4 -4,-2.8 3,-2.1 1,-0.3 -1,-0.2 0.803 95.2 68.6 -65.2 -28.5 47.2 -0.3 63.9 21 23 A D T 3< S+ 0 0 83 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.563 86.6 70.1 -64.7 -11.0 44.3 -2.6 64.6 22 24 A L T < S+ 0 0 63 -3,-1.8 2,-0.6 -4,-0.2 -1,-0.3 0.577 86.0 79.1 -78.6 -11.8 42.1 0.1 63.0 23 25 A I < + 0 0 2 -3,-2.1 2,-0.2 -4,-0.2 3,-0.1 -0.894 66.0 170.4-101.6 122.8 43.7 -0.9 59.7 24 26 A Q > - 0 0 79 -2,-0.6 3,-1.7 1,-0.1 32,-0.1 -0.763 40.2 -57.5-130.9 169.9 42.2 -4.1 58.2 25 27 A D T 3 S+ 0 0 109 1,-0.2 33,-0.2 -2,-0.2 -1,-0.1 -0.150 116.0 19.7 -53.8 133.8 42.3 -6.1 55.0 26 28 A G T 3 S+ 0 0 50 31,-3.1 -1,-0.2 1,-0.3 32,-0.2 0.316 90.7 133.4 93.7 -6.2 41.3 -4.3 51.8 27 29 A X < - 0 0 32 -3,-1.7 32,-2.4 30,-0.3 2,-0.5 -0.381 52.9-133.6 -77.1 153.8 41.9 -0.8 53.0 28 30 A T E -e 59 0B 6 30,-0.2 96,-2.4 94,-0.2 97,-1.2 -0.935 24.2-161.8-101.3 127.8 43.7 2.1 51.3 29 31 A V E -ef 60 125B 3 30,-3.3 32,-2.7 -2,-0.5 2,-0.5 -0.924 9.3-159.3-112.7 131.5 46.1 3.9 53.7 30 32 A G E -ef 61 126B 0 95,-2.6 97,-2.8 -2,-0.4 2,-0.3 -0.951 22.5-175.7-105.9 123.4 47.5 7.4 53.1 31 33 A X E - f 0 127B 6 30,-2.8 32,-0.3 -2,-0.5 116,-0.2 -0.915 26.7-116.7-124.7 147.5 50.7 8.0 55.1 32 34 A S + 0 0 2 95,-2.4 8,-1.0 -2,-0.3 114,-0.1 -0.403 60.5 108.9 -68.6 154.7 53.1 10.8 55.8 33 35 A G - 0 0 0 6,-0.3 31,-2.5 112,-0.2 30,-1.4 -0.058 32.2-176.7 138.7 124.0 56.7 10.3 54.7 34 36 A F B > S-K 37 0C 0 3,-2.1 3,-1.8 29,-0.3 32,-0.1 -0.885 75.4 -26.1-148.2 111.9 58.9 11.8 51.9 35 37 A T T 3 S- 0 0 4 30,-0.5 31,-0.2 -2,-0.3 3,-0.1 0.899 127.1 -47.3 45.4 54.1 62.5 10.6 51.2 36 38 A R T 3 S+ 0 0 67 29,-1.2 2,-0.4 1,-0.2 184,-0.4 0.159 116.3 115.1 80.3 -12.6 62.9 9.5 54.8 37 39 A A B < S-K 34 0C 1 -3,-1.8 -3,-2.1 28,-0.2 -1,-0.2 -0.770 78.6 -6.9 -99.0 130.9 61.5 12.7 56.3 38 40 A G S S+ 0 0 1 -2,-0.4 91,-0.6 -5,-0.2 104,-0.2 0.615 84.4 152.9 75.8 16.4 58.4 13.1 58.3 39 41 A E - 0 0 0 -3,-0.3 -6,-0.3 89,-0.1 -1,-0.2 -0.467 51.2-110.7 -80.2 147.6 57.0 9.5 58.0 40 42 A A + 0 0 0 -8,-1.0 -1,-0.1 87,-0.4 89,-0.1 -0.508 43.4 169.2 -64.7 150.0 54.8 7.8 60.5 41 43 A K > + 0 0 0 -2,-0.1 4,-2.1 3,-0.1 5,-0.2 0.658 59.7 50.3-132.6 -51.9 56.8 5.0 62.1 42 44 A A H > S+ 0 0 11 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.899 110.4 51.0 -68.9 -43.5 55.3 3.3 65.1 43 45 A V H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 -1,-0.1 0.974 114.0 41.6 -61.5 -55.1 51.9 2.6 63.5 44 46 A P H > S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.862 114.3 53.3 -61.0 -36.9 53.4 0.9 60.3 45 47 A Q H X S+ 0 0 47 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.938 112.5 44.9 -56.3 -47.5 56.0 -1.0 62.4 46 48 A A H X S+ 0 0 19 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.901 111.5 53.8 -63.6 -41.3 53.1 -2.2 64.6 47 49 A L H X S+ 0 0 6 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.909 109.8 46.3 -58.0 -47.0 51.1 -3.0 61.4 48 50 A A H X S+ 0 0 5 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.881 112.4 50.3 -63.8 -45.8 53.9 -5.2 59.9 49 51 A X H >X S+ 0 0 133 -4,-2.2 3,-0.8 1,-0.2 4,-0.5 0.931 110.9 49.8 -57.2 -46.2 54.4 -7.0 63.2 50 52 A R H >X S+ 0 0 87 -4,-2.5 4,-2.2 1,-0.2 3,-1.3 0.854 102.2 61.8 -60.2 -38.3 50.7 -7.8 63.4 51 53 A A H 3< S+ 0 0 5 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.711 95.8 60.2 -69.3 -22.1 50.5 -9.1 59.8 52 54 A K H << S+ 0 0 141 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.728 109.1 44.0 -72.1 -24.6 53.0 -11.9 60.7 53 55 A E H << S+ 0 0 141 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.1 0.915 139.2 0.7 -81.4 -54.8 50.4 -13.1 63.3 54 56 A R S < S- 0 0 52 -4,-2.2 -1,-0.3 2,-0.0 -2,-0.1 -0.977 87.0-130.5-140.1 124.7 47.4 -12.8 61.0 55 57 A P + 0 0 105 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.217 29.6 162.2 -80.9 161.0 47.9 -11.5 57.5 56 58 A L - 0 0 7 21,-0.3 2,-0.4 22,-0.1 -31,-0.0 -0.950 26.4-128.8-157.5 175.2 46.1 -8.8 55.5 57 59 A R + 0 0 100 -2,-0.3 -31,-3.1 23,-0.1 -30,-0.3 -0.999 24.0 176.4-133.0 136.7 46.6 -6.7 52.4 58 60 A I E - g 0 80B 4 21,-2.9 23,-2.5 -2,-0.4 24,-1.3 -0.859 32.5-121.3-125.8 167.6 46.4 -2.9 51.9 59 61 A S E -eg 28 82B 16 -32,-2.4 -30,-3.3 -2,-0.3 2,-0.5 -0.971 36.0-159.1-103.6 122.8 46.9 -0.3 49.3 60 62 A L E +eg 29 83B 2 22,-2.6 24,-2.2 -2,-0.5 2,-0.4 -0.917 14.7 179.8-112.9 121.8 49.6 2.1 50.6 61 63 A X E +eg 30 84B 1 -32,-2.7 -30,-2.8 -2,-0.5 2,-0.2 -0.945 10.1 167.5-112.2 142.2 50.1 5.7 49.3 62 64 A T - 0 0 0 22,-1.7 -30,-0.2 -2,-0.4 -28,-0.1 -0.607 49.8-101.4-128.7-172.7 52.8 8.0 50.7 63 65 A G S S- 0 0 0 -30,-1.4 -29,-0.3 -32,-0.3 2,-0.2 0.930 91.1 -57.5 -71.0 -63.3 54.5 11.3 49.8 64 66 A A S S- 0 0 0 -31,-2.5 22,-0.2 1,-0.3 -1,-0.2 -0.520 96.4 -5.1-148.6-131.4 57.5 9.5 48.5 65 67 A S - 0 0 5 -2,-0.2 -29,-1.2 22,-0.1 -30,-0.5 -0.244 59.0-138.0 -76.7 159.4 60.0 6.9 49.8 66 68 A L - 0 0 6 -31,-0.2 22,-0.3 -32,-0.1 3,-0.2 -0.822 10.0-158.9-112.4 152.6 60.2 5.8 53.4 67 69 A G > + 0 0 2 -2,-0.3 3,-2.2 1,-0.1 4,-0.3 -0.182 66.0 70.6-106.0-156.6 63.1 5.2 55.7 68 70 A N T 3 S- 0 0 35 1,-0.3 -1,-0.1 2,-0.1 151,-0.0 0.668 118.6 -82.6 57.4 21.5 63.4 3.1 58.9 69 71 A D T 3> S+ 0 0 98 -3,-0.2 4,-2.5 1,-0.1 -1,-0.3 0.762 90.2 143.4 53.4 30.0 63.1 -0.1 56.7 70 72 A L H <> + 0 0 1 -3,-2.2 4,-2.7 2,-0.2 5,-0.2 0.920 67.9 46.1 -67.2 -47.1 59.4 0.4 56.8 71 73 A D H > S+ 0 0 0 -4,-0.3 4,-2.9 1,-0.2 5,-0.2 0.894 113.1 52.8 -59.6 -43.2 58.7 -0.7 53.2 72 74 A K H > S+ 0 0 69 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.937 111.4 44.9 -53.0 -51.0 61.0 -3.7 53.9 73 75 A Q H X S+ 0 0 56 -4,-2.5 4,-1.9 1,-0.2 6,-0.2 0.931 115.9 46.3 -65.5 -42.5 59.0 -4.6 57.0 74 76 A L H <>S+ 0 0 2 -4,-2.7 5,-2.6 2,-0.2 6,-0.5 0.919 115.0 47.4 -62.8 -45.0 55.6 -4.2 55.3 75 77 A T H ><5S+ 0 0 20 -4,-2.9 3,-1.7 -5,-0.2 -2,-0.2 0.943 111.9 48.8 -62.8 -51.5 56.8 -6.1 52.2 76 78 A E H 3<5S+ 0 0 102 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.812 109.9 52.3 -60.2 -33.1 58.2 -9.0 54.3 77 79 A A T 3<5S- 0 0 12 -4,-1.9 -21,-0.3 -5,-0.2 -1,-0.3 0.428 114.8-119.7 -82.2 1.0 55.0 -9.3 56.3 78 80 A G T < 5S+ 0 0 29 -3,-1.7 -3,-0.2 -4,-0.1 -2,-0.1 0.695 72.4 133.5 73.2 21.1 53.0 -9.5 53.1 79 81 A V < + 0 0 0 -5,-2.6 -21,-2.9 -6,-0.2 2,-0.7 0.811 44.4 82.9 -76.3 -30.5 51.1 -6.3 53.9 80 82 A L E +g 58 0B 1 -6,-0.5 -21,-0.2 -23,-0.2 3,-0.1 -0.678 31.5 155.7 -93.1 114.8 51.4 -4.5 50.5 81 83 A A E S+ 0 0 33 -23,-2.5 21,-2.3 -2,-0.7 2,-0.3 0.731 82.6 13.0 -84.7 -35.0 49.1 -5.4 47.6 82 84 A R E -gh 59 102B 59 -24,-1.3 -22,-2.6 19,-0.2 2,-0.4 -0.993 68.3-169.3-150.4 139.1 49.6 -2.0 46.0 83 85 A R E -gh 60 103B 0 19,-2.7 21,-2.5 -2,-0.3 -22,-0.2 -1.000 15.1-136.7-139.9 137.3 52.2 0.8 46.6 84 86 A X E -g 61 0B 8 -24,-2.2 -22,-1.7 -2,-0.4 21,-0.1 -0.982 46.1 -21.6-157.8 159.1 52.5 4.4 45.3 85 87 A P S S- 0 0 0 0, 0.0 21,-0.7 0, 0.0 294,-0.4 -0.990 106.4 -10.9-103.0 0.7 54.0 6.7 44.2 86 88 A F - 0 0 12 -22,-0.2 2,-0.3 19,-0.2 291,-0.2 -0.971 53.2-179.2-165.5 139.3 57.7 6.3 45.0 87 89 A Q - 0 0 0 289,-1.5 2,-0.4 -2,-0.3 -22,-0.1 -0.990 16.6-163.7-149.0 147.3 59.8 3.9 47.2 88 90 A V + 0 0 50 -2,-0.3 2,-0.2 -22,-0.3 -17,-0.2 -0.871 49.1 114.7-134.8 97.6 63.5 3.4 48.0 89 91 A D > - 0 0 14 -2,-0.4 4,-3.0 286,-0.2 5,-0.2 -0.787 54.5-147.8-172.9 115.0 63.9 -0.1 49.5 90 92 A S H > S+ 0 0 91 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.824 100.2 51.1 -70.5 -30.1 65.7 -3.0 48.1 91 93 A T H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.954 115.1 41.6 -68.5 -51.6 63.3 -5.6 49.6 92 94 A L H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.903 112.2 56.1 -57.3 -43.7 60.2 -3.9 48.2 93 95 A R H X S+ 0 0 56 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.907 108.0 48.3 -58.1 -42.3 62.0 -3.2 44.9 94 96 A K H X S+ 0 0 152 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.928 111.6 49.3 -62.0 -48.4 62.6 -7.0 44.6 95 97 A A H <>S+ 0 0 3 -4,-2.2 5,-2.6 1,-0.2 6,-0.7 0.922 111.9 49.2 -56.6 -46.5 59.0 -7.8 45.4 96 98 A I H ><5S+ 0 0 2 -4,-2.9 3,-1.5 1,-0.2 -2,-0.2 0.919 110.2 50.2 -60.6 -45.0 57.8 -5.2 42.8 97 99 A N H 3<5S+ 0 0 28 -4,-2.5 868,-3.8 1,-0.3 -1,-0.2 0.670 109.2 52.5 -70.6 -15.1 60.2 -6.7 40.2 98 100 A A T 3<5S- 0 0 50 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.311 116.7-114.4 -96.5 5.2 58.8 -10.2 41.0 99 101 A G T < 5S+ 0 0 24 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.670 84.7 119.0 72.2 19.5 55.2 -9.0 40.5 100 102 A E S > - 0 0 1 -2,-0.3 3,-2.2 807,-0.2 4,-0.7 -0.463 49.0-124.5 -52.7 126.7 54.6 12.2 38.8 108 110 A L T 34 S+ 0 0 1 271,-1.5 4,-0.3 1,-0.3 3,-0.3 0.765 105.2 51.3 -60.4 -28.0 54.8 13.4 42.4 109 111 A S T 34 S+ 0 0 0 270,-0.2 4,-0.3 230,-0.2 -1,-0.3 0.602 104.3 60.7 -77.7 -11.6 52.6 16.5 41.9 110 112 A E T <> S+ 0 0 23 -3,-2.2 4,-2.2 1,-0.2 3,-0.2 0.712 77.2 78.8 -99.5 -22.4 49.8 14.6 40.3 111 113 A T H X S+ 0 0 0 -4,-0.7 4,-2.7 -3,-0.3 -1,-0.2 0.897 98.7 45.7 -54.0 -45.7 48.5 12.0 42.8 112 114 A V H > S+ 0 0 1 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.823 110.2 55.5 -72.8 -25.3 46.5 14.5 44.9 113 115 A E H > S+ 0 0 15 -4,-0.3 4,-1.2 -3,-0.2 -1,-0.2 0.905 109.5 46.3 -68.5 -43.9 45.1 15.9 41.6 114 116 A Q H ><>S+ 0 0 40 -4,-2.2 5,-2.4 1,-0.2 6,-0.7 0.955 114.0 49.4 -61.4 -48.1 43.9 12.4 40.7 115 117 A L H ><5S+ 0 0 6 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.906 110.5 48.6 -56.7 -46.5 42.4 11.9 44.2 116 118 A R H 3<5S+ 0 0 23 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.709 112.4 47.9 -74.1 -17.0 40.6 15.2 44.3 117 119 A N T <<5S- 0 0 22 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 -0.012 117.4-101.3-115.3 28.9 38.9 14.8 40.8 118 120 A H T < 5S+ 0 0 107 -3,-1.1 -3,-0.2 2,-0.2 -2,-0.1 0.612 91.1 114.5 72.1 16.5 37.6 11.2 41.2 119 121 A Q S - 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0 0 2 -868,-3.8 -592,-0.3 -871,-0.2 -1,-0.1 -0.098 67.0 -91.4 113.0 155.8 60.4 -6.9 36.2 966 473 B H S S+ 0 0 6 -594,-1.1 -32,-0.5 1,-0.3 -593,-0.2 0.892 129.0 26.2 -61.9 -38.7 58.0 -4.1 37.0 967 474 B T S S- 0 0 7 -595,-2.2 -1,-0.3 -34,-0.1 2,-0.1 -0.824 94.4-148.5-127.8 87.1 57.7 -3.6 33.2 968 475 B P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.341 25.4 163.2 -68.1 137.1 58.4 -7.0 31.6 969 476 B H - 0 0 13 -9,-0.4 2,-0.6 -5,-0.4 3,-0.1 -0.972 40.2-131.4-143.6 153.7 60.1 -7.1 28.2 970 477 B L >> - 0 0 29 -2,-0.3 4,-2.2 1,-0.1 3,-1.0 -0.952 20.1-160.5 -99.6 108.1 61.9 -9.5 25.8 971 478 B L T 34 S+ 0 0 22 -2,-0.6 4,-0.3 1,-0.3 -491,-0.2 0.818 91.5 51.6 -60.1 -32.7 65.0 -7.4 24.8 972 479 B R T 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.771 123.1 29.5 -66.3 -30.5 65.5 -9.7 21.7 973 480 B E T X4 S+ 0 0 94 -3,-1.0 3,-1.4 1,-0.1 4,-0.5 0.536 88.0 96.9-112.4 -12.6 61.8 -9.3 20.7 974 481 B A T 3< S+ 0 0 1 -4,-2.2 -69,-0.7 1,-0.3 3,-0.2 0.808 101.7 25.7 -55.8 -36.4 60.7 -5.8 21.8 975 482 B L T 3> S+ 0 0 9 -4,-0.3 4,-1.8 -499,-0.2 3,-0.4 0.279 91.4 106.5-109.5 9.4 61.3 -4.2 18.4 976 483 B A H <> S+ 0 0 16 -3,-1.4 4,-3.3 1,-0.2 5,-0.2 0.809 73.7 57.6 -65.9 -36.8 61.0 -7.2 16.2 977 484 B W H > S+ 0 0 26 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.905 108.1 47.6 -58.9 -41.0 57.6 -6.3 14.8 978 485 B H H > S+ 0 0 4 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.910 114.2 46.8 -68.6 -41.4 59.0 -3.0 13.5 979 486 B L H X S+ 0 0 28 -4,-1.8 4,-3.4 2,-0.2 5,-0.3 0.919 112.1 50.8 -62.7 -44.9 62.0 -4.9 12.0 980 487 B N H X S+ 0 0 16 -4,-3.3 4,-2.3 7,-0.2 6,-1.1 0.863 110.0 50.2 -58.3 -41.3 59.7 -7.5 10.5 981 488 B L H X S+ 0 0 30 -4,-2.2 4,-1.8 4,-0.2 -1,-0.2 0.947 116.5 41.4 -62.9 -49.4 57.5 -4.7 8.9 982 489 B E H < S+ 0 0 81 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.897 123.1 36.0 -66.0 -46.6 60.6 -3.1 7.4 983 490 B E H < S+ 0 0 91 -4,-3.4 -3,-0.2 -5,-0.1 -2,-0.2 0.863 136.4 17.1 -76.4 -37.4 62.5 -6.2 6.2 984 491 B R H < S- 0 0 102 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.339 97.3-114.7-128.1 4.4 59.5 -8.3 5.2 985 492 B G S < S+ 0 0 37 -4,-1.8 2,-0.3 -5,-0.3 -4,-0.2 0.429 90.7 77.0 79.9 -1.2 56.5 -6.0 4.8 986 493 B H S > S- 0 0 54 -6,-1.1 3,-1.8 3,-0.2 -87,-0.2 -0.976 72.4-139.4-143.5 128.8 54.5 -7.6 7.6 987 494 B X T 3 S+ 0 0 3 -89,-2.8 -7,-0.2 -2,-0.3 -6,-0.2 0.787 107.8 47.3 -51.8 -32.0 54.9 -7.2 11.4 988 495 B L T 3 S+ 0 0 72 -90,-0.2 2,-1.1 -8,-0.1 -1,-0.3 0.448 85.6 98.9 -93.6 -3.3 54.2 -10.9 11.9 989 496 B A < 0 0 34 -3,-1.8 -3,-0.2 -91,-0.2 -5,-0.2 -0.734 360.0 360.0 -84.4 92.7 56.7 -12.0 9.2 990 497 B G 0 0 101 -2,-1.1 -2,-0.1 -7,-0.1 -13,-0.0 -0.214 360.0 360.0 -82.0 360.0 59.8 -13.0 11.2