==== 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 OXIDOREDUCTASE 21-JUN-11 3SJ7 . COMPND 2 MOLECULE: 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR D.DUTTA,S.BHATTACHARYYA,A.K.DAS . 482 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20769.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 32 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.7 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 1 0 0 1 0 0 3 5 0 0 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 5 3 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 T 0 0 173 0, 0.0 2,-0.4 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 -12.2 0.1 64.8 12.4 2 3 A K E -a 26 0A 90 23,-0.5 25,-2.3 78,-0.0 2,-0.4 -0.851 360.0-162.7-108.5 143.6 1.5 61.6 14.0 3 4 A S E -a 27 0A 0 -2,-0.4 78,-1.6 23,-0.3 79,-1.4 -0.957 10.9-171.2-138.0 149.3 -0.1 58.2 13.6 4 5 A A E -ab 28 82A 0 23,-2.7 25,-2.3 -2,-0.4 2,-0.4 -0.924 11.0-154.0-132.9 153.4 -0.2 54.7 15.1 5 6 A L E -ab 29 83A 0 77,-2.7 79,-2.5 -2,-0.3 2,-0.5 -0.995 12.1-166.7-126.5 124.7 -1.6 51.2 14.3 6 7 A V E > -ab 30 84A 0 23,-2.0 25,-1.8 -2,-0.4 3,-0.6 -0.942 12.8-142.8-114.0 122.1 -2.3 48.8 17.2 7 8 A T T 3 S+ 0 0 3 77,-2.8 79,-0.3 -2,-0.5 25,-0.1 -0.644 86.2 13.4 -85.5 140.2 -3.0 45.2 16.4 8 9 A G T 3 S+ 0 0 17 -2,-0.3 6,-0.4 23,-0.3 3,-0.3 0.956 80.8 151.4 62.4 53.0 -5.6 43.4 18.6 9 10 A A < + 0 0 0 22,-2.6 23,-0.1 -3,-0.6 -1,-0.1 0.217 39.7 93.6-103.9 15.7 -6.7 46.8 20.0 10 11 A S S S- 0 0 8 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.843 97.2 -8.3 -79.8 -35.4 -10.3 45.8 20.7 11 12 A R S >> S+ 0 0 161 -3,-0.3 4,-1.3 31,-0.0 3,-0.6 -0.906 106.4 13.7-150.0 174.3 -9.8 44.8 24.3 12 13 A G H 3> S- 0 0 22 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.121 118.0 -5.0 58.3-139.6 -7.2 44.3 27.0 13 14 A I H 3> S+ 0 0 37 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.891 135.5 49.8 -64.7 -44.5 -3.7 45.4 26.6 14 15 A G H <> S+ 0 0 0 -3,-0.6 4,-3.1 -6,-0.4 -1,-0.3 0.909 108.7 54.3 -55.2 -44.5 -4.0 46.6 23.0 15 16 A R H X S+ 0 0 78 -4,-1.3 4,-2.2 -7,-0.3 -2,-0.2 0.959 111.8 45.1 -53.4 -51.0 -7.1 48.6 24.0 16 17 A S H X S+ 0 0 8 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.840 112.5 49.3 -65.7 -37.9 -5.1 50.3 26.7 17 18 A I H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.909 110.0 53.1 -64.3 -43.7 -2.0 51.0 24.4 18 19 A A H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.935 109.0 49.5 -56.4 -45.5 -4.3 52.5 21.8 19 20 A L H X S+ 0 0 16 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.857 110.6 48.6 -65.1 -34.6 -5.8 54.8 24.4 20 21 A Q H X S+ 0 0 37 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.861 109.0 52.2 -76.6 -38.8 -2.4 56.0 25.7 21 22 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.8 2,-0.2 3,-1.1 0.957 113.4 44.9 -57.4 -52.7 -1.1 56.7 22.2 22 23 A A H ><5S+ 0 0 3 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.921 106.2 60.8 -52.0 -45.9 -4.2 58.8 21.6 23 24 A E H 3<5S+ 0 0 114 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.741 109.6 44.8 -55.4 -23.5 -3.8 60.4 25.1 24 25 A E T <<5S- 0 0 102 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.385 130.3 -89.3-109.8 -1.4 -0.4 61.6 23.7 25 26 A G T < 5S+ 0 0 39 -3,-2.0 -23,-0.5 -4,-0.4 2,-0.3 0.525 76.7 134.2 111.2 10.0 -1.6 62.8 20.3 26 27 A Y E < -a 2 0A 22 -5,-1.8 2,-0.4 -8,-0.1 -1,-0.4 -0.661 55.3-127.7 -81.0 140.5 -1.5 60.0 17.8 27 28 A N E -a 3 0A 33 -25,-2.3 -23,-2.7 -2,-0.3 2,-0.5 -0.723 38.1-147.0 -74.7 140.0 -4.3 59.3 15.4 28 29 A V E -ac 4 53A 0 24,-2.3 26,-0.9 -2,-0.4 2,-0.6 -0.964 16.7-153.9-128.8 125.0 -4.9 55.6 16.1 29 30 A A E -ac 5 54A 0 -25,-2.3 -23,-2.0 -2,-0.5 2,-0.7 -0.862 19.4-145.1 -95.4 124.9 -6.0 52.8 13.8 30 31 A V E -ac 6 55A 0 24,-3.0 26,-3.0 -2,-0.6 2,-0.3 -0.815 13.8-164.1-100.6 105.9 -7.8 50.0 15.7 31 32 A N E + c 0 56A 4 -25,-1.8 -22,-2.6 -2,-0.7 -21,-0.4 -0.703 14.4 165.3 -90.3 140.9 -7.2 46.5 14.4 32 33 A Y E - c 0 57A 28 24,-1.6 26,-1.6 -2,-0.3 4,-0.0 -0.968 33.6-147.1-147.2 157.5 -9.3 43.5 15.3 33 34 A A S S- 0 0 75 -2,-0.3 -1,-0.1 24,-0.2 26,-0.1 0.868 91.3 -20.6 -88.9 -51.3 -10.0 39.9 14.2 34 35 A G S S+ 0 0 65 24,-0.1 2,-2.1 1,-0.1 3,-0.3 0.499 107.8 96.0-135.3 -20.2 -13.8 39.3 15.1 35 36 A S > + 0 0 27 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.381 39.8 153.2 -78.8 66.7 -14.7 41.9 17.7 36 37 A K H > S+ 0 0 74 -2,-2.1 4,-2.7 2,-0.2 5,-0.2 0.963 72.3 45.4 -57.8 -58.2 -16.2 44.5 15.4 37 38 A E H > S+ 0 0 96 -3,-0.3 4,-2.3 1,-0.2 5,-0.2 0.949 114.7 45.9 -50.9 -61.3 -18.5 46.1 17.9 38 39 A K H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.842 112.6 51.7 -56.2 -38.6 -16.0 46.3 20.8 39 40 A A H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.924 108.7 49.7 -63.7 -48.3 -13.3 47.7 18.5 40 41 A E H X S+ 0 0 106 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.866 108.5 54.6 -57.8 -37.1 -15.7 50.4 17.2 41 42 A A H X S+ 0 0 56 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.936 109.2 46.8 -59.6 -46.7 -16.4 51.1 20.9 42 43 A V H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.950 107.7 56.9 -57.7 -50.1 -12.7 51.6 21.4 43 44 A V H X S+ 0 0 8 -4,-3.1 4,-2.8 1,-0.2 3,-0.3 0.922 106.9 50.1 -41.8 -51.4 -12.6 53.8 18.3 44 45 A E H X S+ 0 0 113 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.864 107.3 51.5 -62.3 -42.0 -15.3 56.0 20.0 45 46 A E H < S+ 0 0 86 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.860 114.1 46.2 -60.9 -35.0 -13.3 56.3 23.3 46 47 A I H ><>S+ 0 0 0 -4,-2.2 3,-1.5 -3,-0.3 5,-0.9 0.893 108.4 54.3 -72.4 -46.9 -10.2 57.4 21.1 47 48 A K H ><5S+ 0 0 92 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.844 101.4 59.9 -52.2 -37.8 -12.2 59.9 19.0 48 49 A A T 3<5S+ 0 0 92 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.597 92.7 68.7 -73.7 -9.2 -13.4 61.6 22.2 49 50 A K T < 5S- 0 0 74 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.525 120.2-103.7 -84.2 -11.5 -9.7 62.3 23.0 50 51 A G T < 5S+ 0 0 72 -3,-1.7 2,-0.2 1,-0.4 -3,-0.1 0.444 87.1 102.1 103.6 2.7 -9.5 64.8 20.1 51 52 A V S - 0 0 69 -2,-0.3 3,-3.0 1,-0.1 7,-0.3 -0.714 23.5-147.9 -72.0 103.9 -6.2 38.6 10.4 60 61 A V T 3 S+ 0 0 8 -2,-0.8 56,-0.2 1,-0.3 -1,-0.1 0.700 93.8 64.5 -52.8 -21.9 -2.6 39.4 11.2 61 62 A A T 3 S+ 0 0 12 55,-0.1 2,-0.6 54,-0.1 -1,-0.3 0.507 89.3 80.3 -82.0 -5.4 -1.5 35.9 10.0 62 63 A D <> - 0 0 58 -3,-3.0 4,-1.9 1,-0.1 5,-0.1 -0.919 65.7-161.0-104.4 119.3 -2.6 36.7 6.5 63 64 A A H > S+ 0 0 6 -2,-0.6 4,-2.9 2,-0.2 5,-0.2 0.864 90.2 51.2 -70.1 -37.0 -0.1 38.8 4.5 64 65 A D H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.927 112.1 47.0 -65.9 -45.4 -2.6 40.1 1.9 65 66 A E H > S+ 0 0 72 2,-0.2 4,-1.9 -6,-0.2 -1,-0.2 0.854 112.6 50.2 -62.7 -39.9 -5.0 41.2 4.6 66 67 A V H X S+ 0 0 0 -4,-1.9 4,-2.8 -7,-0.3 -2,-0.2 0.935 110.2 50.1 -61.3 -51.5 -2.0 42.9 6.5 67 68 A K H X S+ 0 0 109 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.914 110.7 49.4 -49.4 -48.9 -0.9 44.7 3.3 68 69 A A H X S+ 0 0 60 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.913 111.0 51.2 -61.5 -41.6 -4.5 46.0 2.7 69 70 A M H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.934 109.4 48.3 -61.9 -49.9 -4.6 47.2 6.3 70 71 A I H X S+ 0 0 6 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.921 111.4 50.6 -55.8 -47.9 -1.3 49.1 6.0 71 72 A K H X S+ 0 0 118 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.906 110.4 49.8 -60.0 -43.7 -2.4 50.7 2.7 72 73 A E H X S+ 0 0 80 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.856 109.2 51.3 -65.2 -35.2 -5.7 51.8 4.3 73 74 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 6,-0.4 0.922 112.9 45.6 -64.2 -42.3 -3.9 53.3 7.4 74 75 A V H X S+ 0 0 21 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.916 110.8 55.3 -67.3 -43.6 -1.6 55.3 5.1 75 76 A S H < S+ 0 0 82 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.932 115.9 35.2 -47.0 -57.2 -4.7 56.3 3.1 76 77 A Q H < S+ 0 0 99 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.839 130.7 27.5 -74.5 -35.7 -6.6 57.8 6.1 77 78 A F H < S- 0 0 28 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.655 92.2-126.9-106.8 -22.4 -3.7 59.3 8.1 78 79 A G S < S+ 0 0 58 -4,-2.4 2,-0.3 -5,-0.4 -4,-0.2 0.492 82.1 27.3 87.9 4.5 -1.0 60.1 5.5 79 80 A S - 0 0 13 -6,-0.4 2,-0.2 -5,-0.1 -2,-0.2 -0.972 65.5-129.1-172.0 171.5 1.7 58.2 7.4 80 81 A L + 0 0 0 -2,-0.3 -76,-0.2 44,-0.1 48,-0.1 -0.764 32.6 158.9-140.4 100.6 2.6 55.3 9.8 81 82 A D + 0 0 15 -78,-1.6 51,-1.8 -2,-0.2 2,-0.4 0.675 66.0 31.9 -92.5 -24.0 4.8 56.5 12.7 82 83 A V E -bd 4 132A 2 -79,-1.4 -77,-2.7 49,-0.2 2,-0.5 -0.979 55.2-174.2-146.6 125.6 4.1 53.7 15.2 83 84 A L E -bd 5 133A 0 49,-2.3 51,-2.5 -2,-0.4 2,-0.6 -0.987 6.4-169.5-120.1 125.6 3.3 50.0 14.8 84 85 A V E -bd 6 134A 0 -79,-2.5 -77,-2.8 -2,-0.5 2,-1.4 -0.948 10.1-155.5-118.8 105.9 2.4 48.1 18.0 85 86 A N E + d 0 135A 6 49,-2.5 51,-2.5 -2,-0.6 -79,-0.1 -0.668 41.2 138.9 -86.4 93.2 2.3 44.4 17.3 86 87 A N + 0 0 23 -2,-1.4 -1,-0.2 -79,-0.3 -78,-0.2 0.745 21.4 115.5-111.0 -31.4 -0.0 43.4 20.1 87 88 A A + 0 0 19 -3,-0.3 2,-0.3 26,-0.1 -79,-0.1 -0.151 40.9 154.0 -51.8 135.8 -2.4 40.7 18.7 88 89 A G - 0 0 43 25,-0.1 2,-0.3 -80,-0.0 18,-0.1 -0.969 24.3-167.2-165.8 143.9 -1.8 37.4 20.5 89 90 A I - 0 0 46 -2,-0.3 2,-0.4 17,-0.2 21,-0.1 -0.908 10.3-145.0-133.4 164.6 -3.6 34.2 21.4 90 91 A T + 0 0 67 -2,-0.3 2,-0.1 2,-0.0 58,-0.0 -0.991 15.2 177.9-128.0 138.6 -2.9 31.2 23.7 91 92 A R - 0 0 108 -2,-0.4 59,-0.2 11,-0.1 60,-0.1 -0.626 26.9-165.2-130.8 82.6 -3.8 27.6 23.2 92 93 A D + 0 0 78 -2,-0.1 2,-0.3 58,-0.1 56,-0.2 -0.311 22.2 137.9 -74.6 143.8 -2.3 26.0 26.3 93 94 A N - 0 0 38 54,-2.5 56,-0.4 5,-0.1 54,-0.2 -0.908 53.6 -91.5-169.3 154.0 -1.7 22.2 26.8 94 95 A L >> - 0 0 87 -2,-0.3 4,-2.7 1,-0.1 3,-0.9 -0.375 45.4-109.6 -63.6 154.7 0.8 19.8 28.2 95 96 A L T 34 S+ 0 0 3 1,-0.3 -1,-0.1 2,-0.2 269,-0.1 0.911 121.0 53.8 -50.7 -51.9 3.4 18.6 25.6 96 97 A M T 34 S+ 0 0 85 1,-0.2 -1,-0.3 268,-0.1 -2,-0.0 0.803 118.7 35.5 -48.0 -36.6 1.8 15.1 25.7 97 98 A R T <4 S+ 0 0 175 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.689 82.7 120.6 -99.4 -27.1 -1.6 16.7 24.9 98 99 A M < - 0 0 8 -4,-2.7 2,-0.2 -5,-0.1 -5,-0.1 -0.153 53.7-142.9 -48.8 127.5 -0.8 19.6 22.6 99 100 A K > - 0 0 129 1,-0.1 4,-1.7 4,-0.0 3,-0.2 -0.632 19.7-116.1 -93.0 152.0 -2.6 19.2 19.2 100 101 A E H >> S+ 0 0 94 -2,-0.2 4,-3.1 1,-0.2 3,-0.6 0.942 117.0 53.0 -48.4 -54.5 -1.1 20.2 15.9 101 102 A Q H 3> S+ 0 0 122 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.876 105.1 55.7 -51.2 -40.8 -3.8 22.9 15.4 102 103 A E H 3> S+ 0 0 29 -3,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.886 114.0 39.8 -59.6 -41.7 -3.0 24.3 18.8 103 104 A W H S+ 0 0 4 -4,-2.2 5,-2.8 1,-0.2 4,-1.6 0.877 112.6 53.5 -61.3 -39.7 2.8 30.3 15.7 108 109 A D H <>S+ 0 0 62 -4,-2.2 5,-1.9 -5,-0.3 -2,-0.2 0.947 118.5 29.0 -60.8 -52.1 0.7 31.8 13.0 109 110 A T H <5S+ 0 0 27 -4,-2.0 5,-0.2 3,-0.2 -2,-0.2 0.923 126.6 42.2 -75.6 -44.2 -0.9 34.7 14.9 110 111 A N H <5S+ 0 0 0 -4,-2.9 4,-0.2 -5,-0.3 -3,-0.2 0.842 134.3 11.0 -77.4 -33.6 1.8 35.3 17.5 111 112 A L T X5S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.5 -3,-0.2 0.781 129.3 46.6-117.3 -43.2 4.9 35.0 15.3 112 113 A K H > S+ 0 0 7 -5,-0.2 4,-2.5 1,-0.2 5,-0.3 0.930 111.2 52.6 -67.4 -44.5 4.4 40.1 13.8 115 116 A F H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.940 110.1 48.8 -55.3 -48.2 6.6 39.2 10.8 116 117 A N H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.902 112.6 46.5 -59.7 -43.2 3.8 40.3 8.4 117 118 A C H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.956 113.7 46.5 -68.2 -49.4 3.1 43.6 10.1 118 119 A I H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.908 114.6 50.4 -55.1 -46.1 6.7 44.6 10.4 119 120 A Q H >< S+ 0 0 19 -4,-2.6 3,-0.6 -5,-0.3 -2,-0.2 0.937 115.0 39.1 -63.8 -45.8 7.2 43.6 6.7 120 121 A K H 3< S+ 0 0 51 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.728 115.6 53.4 -80.7 -21.4 4.3 45.5 5.2 121 122 A A H 3X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.582 91.1 80.3 -82.5 -16.1 4.9 48.5 7.5 122 123 A T H S+ 0 0 56 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.899 110.6 48.5 -51.5 -43.2 8.3 50.6 3.2 124 125 A Q H > S+ 0 0 14 -4,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.930 113.8 45.5 -62.0 -46.8 6.2 53.4 4.7 125 126 A M H X>S+ 0 0 0 -4,-1.8 5,-1.6 1,-0.2 4,-1.4 0.869 111.5 53.2 -67.0 -37.0 8.5 53.9 7.6 126 127 A L H <5S+ 0 0 20 -4,-3.3 -1,-0.2 2,-0.2 -2,-0.2 0.868 106.8 52.0 -60.8 -39.1 11.5 53.8 5.3 127 128 A R H <5S+ 0 0 154 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0.903 111.8 50.5 -67.1 -39.7 11.3 9.3 27.8 368 127 B L H <5S+ 0 0 29 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.819 107.8 55.1 -60.7 -33.8 8.5 9.6 30.5 369 128 B R H <5S+ 0 0 168 -4,-1.5 -2,-0.2 -5,-0.4 -1,-0.2 0.909 112.2 41.8 -65.8 -42.8 8.2 5.8 30.4 370 129 B Q H <5S- 0 0 52 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.802 97.3-140.8 -71.4 -29.0 12.0 5.5 31.1 371 130 B R T <5S+ 0 0 168 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.773 76.8 82.3 63.5 28.6 11.9 8.2 33.7 372 131 B S < + 0 0 40 -5,-1.3 -1,-0.3 44,-0.0 44,-0.2 -0.970 51.1 118.4-150.4 156.9 15.2 9.2 32.2 373 132 B G E - l 0 416C 12 42,-0.8 44,-2.4 -2,-0.3 2,-0.4 -0.613 38.0-133.0 151.8 158.4 16.5 11.2 29.2 374 133 B A E -kl 324 417C 7 -51,-1.9 -49,-2.2 42,-0.2 2,-0.5 -0.994 16.0-172.6-136.2 122.6 18.5 14.0 27.6 375 134 B I E -kl 325 418C 0 42,-2.5 44,-2.3 -2,-0.4 2,-0.4 -0.962 6.0-171.6-115.1 127.9 17.2 16.2 24.8 376 135 B I E -kl 326 419C 1 -51,-3.1 -49,-2.3 -2,-0.5 2,-0.4 -0.988 5.0-159.3-126.6 128.9 19.6 18.7 23.2 377 136 B N E -kl 327 420C 0 42,-2.8 44,-2.4 -2,-0.4 2,-0.5 -0.824 15.4-129.0-107.2 139.0 18.5 21.3 20.7 378 137 B L E + l 0 421C 6 -51,-2.5 44,-0.2 -2,-0.4 2,-0.1 -0.755 38.6 155.0 -85.8 126.2 20.7 23.1 18.2 379 138 B S - 0 0 4 42,-3.1 2,-0.3 -2,-0.5 19,-0.1 -0.246 28.7-128.4-121.9-143.3 20.4 26.9 18.2 380 139 B S >> - 0 0 12 42,-0.2 3,-2.8 -2,-0.1 4,-0.6 -0.942 25.9-102.1-171.5 150.7 22.9 29.5 17.1 381 140 B V H >> S+ 0 0 5 42,-3.0 3,-1.8 1,-0.3 4,-1.5 0.849 119.1 61.8 -45.9 -39.3 24.7 32.7 18.2 382 141 B V H 3> S+ 0 0 16 1,-0.3 4,-2.1 41,-0.3 -1,-0.3 0.724 88.6 70.8 -65.7 -17.4 22.3 34.7 16.0 383 142 B G H <4 S+ 0 0 5 -3,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.803 108.9 35.3 -65.4 -27.7 19.4 33.4 18.3 384 143 B A H << S+ 0 0 13 -3,-1.8 -2,-0.2 -4,-0.6 -1,-0.2 0.798 129.7 27.8 -93.7 -35.2 20.9 35.7 21.0 385 144 B V H < S- 0 0 39 -4,-1.5 -3,-0.2 1,-0.1 -2,-0.2 0.661 96.0-132.0-108.6 -14.2 22.1 38.7 19.1 386 145 B G < - 0 0 2 -4,-2.1 -3,-0.1 -5,-0.2 -225,-0.1 0.102 16.1-139.8 76.4 163.7 19.9 38.9 16.0 387 146 B N > - 0 0 55 -227,-0.3 3,-1.5 -5,-0.1 7,-0.2 -0.881 14.6-115.1-162.6 124.2 21.3 39.4 12.5 388 147 B P T 3 S+ 0 0 55 0, 0.0 -52,-0.1 0, 0.0 -223,-0.1 -0.247 101.5 28.2 -57.8 149.0 20.1 41.4 9.6 389 148 B G T 3 S+ 0 0 13 -225,-0.1 -54,-1.7 -54,-0.1 3,-0.1 0.411 111.3 70.0 86.9 -4.1 19.1 39.3 6.6 390 149 B Q <> + 0 0 23 -3,-1.5 4,-3.4 -56,-0.2 5,-0.3 -0.016 47.8 137.3-137.0 24.9 18.1 36.3 8.7 391 150 B A H > S+ 0 0 0 -56,-0.4 4,-2.6 1,-0.2 5,-0.2 0.852 78.0 48.2 -48.4 -41.6 14.9 37.3 10.6 392 151 B N H > S+ 0 0 0 -57,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.979 115.0 43.5 -61.1 -51.4 13.2 34.0 9.9 393 152 B Y H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 115.0 49.4 -61.1 -47.2 16.2 31.9 11.0 394 153 B V H X S+ 0 0 0 -4,-3.4 4,-3.1 2,-0.2 5,-0.4 0.946 107.3 54.3 -57.7 -54.8 16.8 34.1 14.0 395 154 B A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.921 111.9 46.8 -42.2 -48.7 13.1 33.9 15.0 396 155 B T H X S+ 0 0 0 -4,-2.5 4,-3.4 2,-0.2 -2,-0.2 0.910 113.4 46.7 -62.1 -42.4 13.5 30.1 14.9 397 156 B K H X S+ 0 0 8 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.940 115.6 43.7 -73.5 -45.1 16.7 30.0 16.9 398 157 B A H X S+ 0 0 8 -4,-3.1 4,-1.1 2,-0.2 -1,-0.2 0.930 116.3 50.1 -55.8 -49.6 15.5 32.3 19.6 399 158 B G H >X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.4 3,-0.7 0.914 105.0 56.4 -60.6 -44.5 12.2 30.4 19.6 400 159 B V H 3X S+ 0 0 0 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.929 103.7 55.4 -48.8 -47.0 14.1 27.1 19.9 401 160 B I H 3X S+ 0 0 21 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.803 109.2 45.5 -58.1 -32.0 15.7 28.5 23.1 402 161 B G H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 3,-0.5 0.937 111.1 56.5 -51.3 -49.2 10.2 21.6 27.7 408 167 B A H 3X S+ 0 0 5 -4,-3.1 4,-1.2 -5,-0.3 -2,-0.2 0.918 108.4 49.0 -51.3 -43.5 12.9 21.6 30.4 409 168 B R H 3< S+ 0 0 138 -4,-2.0 4,-0.4 -5,-0.2 -1,-0.3 0.777 111.3 47.8 -66.2 -34.0 10.2 22.8 32.8 410 169 B E H << S+ 0 0 13 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.852 120.6 32.2 -75.0 -38.1 7.6 20.2 31.9 411 170 B L H ><>S+ 0 0 2 -4,-2.1 5,-1.6 1,-0.2 3,-1.3 0.498 90.6 94.6-106.7 -6.5 9.8 17.1 32.0 412 171 B A G ><5S+ 0 0 44 -4,-1.2 3,-2.1 -5,-0.3 -1,-0.2 0.940 81.4 54.3 -52.4 -53.8 12.2 18.0 34.7 413 172 B S G 3 5S+ 0 0 108 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.691 106.3 56.7 -62.9 -11.3 10.3 16.3 37.6 414 173 B R G < 5S- 0 0 83 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.187 124.0 -92.0-109.0 20.0 10.3 13.1 35.6 415 174 B G T < 5S+ 0 0 31 -3,-2.1 -42,-0.8 1,-0.2 2,-0.5 0.367 85.4 123.6 95.5 -2.8 14.1 12.6 35.0 416 175 B I E < -l 373 0C 1 -5,-1.6 2,-0.4 -44,-0.2 -42,-0.2 -0.805 42.5-160.1-100.9 121.4 14.5 14.4 31.6 417 176 B T E -l 374 0C 10 -44,-2.4 -42,-2.5 -2,-0.5 2,-0.4 -0.792 5.0-164.3 -92.4 140.9 16.9 17.3 31.0 418 177 B V E +l 375 0C 0 -2,-0.4 56,-3.0 -44,-0.2 2,-0.3 -0.996 19.9 158.8-127.5 123.1 16.3 19.6 28.0 419 178 B N E -l 376 0C 0 -44,-2.3 -42,-2.8 -2,-0.4 2,-0.3 -0.914 27.4-136.2-139.7 167.4 19.1 21.9 26.8 420 179 B A E -lm 377 476C 0 55,-2.9 57,-2.4 -2,-0.3 2,-0.4 -0.924 4.9-153.5-125.2 149.6 20.4 24.0 23.9 421 180 B V E -lm 378 477C 0 -44,-2.4 -42,-3.1 -2,-0.3 57,-0.2 -0.993 9.1-160.5-119.5 134.6 23.8 24.5 22.2 422 181 B A E - m 0 478C 0 55,-4.0 57,-2.1 -2,-0.4 -42,-0.2 -0.863 5.2-160.6-121.5 103.6 24.6 27.7 20.3 423 182 B P E - m 0 479C 12 0, 0.0 -42,-3.0 0, 0.0 -41,-0.3 -0.460 1.7-164.0 -79.0 144.0 27.5 27.6 17.8 424 183 B G - 0 0 15 55,-1.6 2,-0.7 -44,-0.2 56,-0.1 0.428 68.1 -13.3 -88.6-123.9 29.1 30.9 16.6 425 184 B F S S+ 0 0 56 55,-0.3 27,-3.3 25,-0.1 2,-0.4 -0.745 73.5 178.4 -89.5 113.8 31.3 30.6 13.5 426 185 B I B -n 452 0D 19 -2,-0.7 27,-0.2 25,-0.2 2,-0.1 -0.923 34.9-106.7-117.3 134.8 32.0 27.0 12.6 427 186 B V S S+ 0 0 49 25,-2.7 27,-0.3 -2,-0.4 2,-0.1 -0.381 70.1 112.9 -55.0 125.7 34.1 25.8 9.6 428 187 B S 0 0 78 -2,-0.1 -1,-0.1 25,-0.1 4,-0.0 -0.156 360.0 360.0-152.0 -96.6 31.8 24.2 7.0 429 188 B D 0 0 104 2,-0.2 4,-0.4 -2,-0.1 5,-0.1 0.048 360.0 360.0 -47.9 360.0 31.0 25.6 3.5 430 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 431 190 B T 0 0 12 0, 0.0 -2,-0.2 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 -11.5 33.8 29.0 5.3 432 191 B D + 0 0 113 1,-0.2 -3,-0.1 -4,-0.0 -5,-0.0 0.127 360.0 29.2-101.8 20.3 35.9 26.8 2.9 433 192 B A S S+ 0 0 92 -4,-0.4 -1,-0.2 2,-0.1 2,-0.1 0.185 92.8 119.7-151.0 10.2 35.5 28.9 -0.2 434 193 B L - 0 0 52 -5,-0.1 2,-0.1 1,-0.1 0, 0.0 -0.377 67.2-107.4 -70.5 155.8 35.1 32.2 1.4 435 194 B S > - 0 0 59 1,-0.1 4,-2.3 -2,-0.1 5,-0.1 -0.443 21.3-112.4 -83.3 159.7 37.7 34.9 0.6 436 195 B D H > S+ 0 0 131 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.891 116.5 57.2 -51.7 -47.6 40.5 36.1 2.9 437 196 B E H > S+ 0 0 170 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.917 112.8 40.1 -54.1 -48.8 38.9 39.5 3.1 438 197 B L H > S+ 0 0 84 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.854 112.3 53.7 -71.5 -42.3 35.7 38.0 4.5 439 198 B K H X S+ 0 0 57 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.955 110.9 48.0 -55.1 -52.5 37.3 35.4 6.7 440 199 B E H X S+ 0 0 115 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.837 109.4 52.8 -59.2 -37.4 39.3 38.2 8.4 441 200 B Q H < S+ 0 0 134 -4,-1.6 4,-0.4 -5,-0.3 -1,-0.2 0.956 112.6 45.4 -63.1 -48.2 36.2 40.3 8.8 442 201 B M H >< S+ 0 0 23 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.895 110.4 54.0 -57.9 -43.5 34.6 37.3 10.5 443 202 B L H >< S+ 0 0 36 -4,-2.7 3,-2.6 1,-0.3 6,-0.3 0.855 94.9 65.3 -67.0 -37.1 37.6 36.6 12.7 444 203 B T T 3< S+ 0 0 119 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.694 98.2 59.2 -59.1 -14.9 37.9 40.1 14.2 445 204 B Q T < S+ 0 0 100 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.616 96.4 71.0 -83.0 -10.8 34.5 39.2 15.7 446 205 B I X - 0 0 7 -3,-2.6 3,-3.2 -4,-0.2 -1,-0.1 -0.875 66.1-157.7-116.3 101.6 35.9 36.3 17.6 447 206 B P T 3 S+ 0 0 89 0, 0.0 35,-0.2 0, 0.0 -1,-0.2 0.850 95.8 59.7 -44.0 -40.7 38.3 36.9 20.5 448 207 B L T 3 S- 0 0 101 33,-1.9 34,-0.1 2,-0.1 33,-0.1 0.579 103.9-136.7 -67.2 -5.9 39.9 33.4 20.1 449 208 B A < + 0 0 66 -3,-3.2 2,-0.3 -6,-0.3 -6,-0.1 0.735 69.4 79.0 55.3 32.7 40.8 34.5 16.6 450 209 B R S S- 0 0 142 -7,-0.1 2,-0.2 31,-0.1 -25,-0.1 -0.969 80.0-102.0-152.6 166.3 39.8 31.3 14.9 451 210 B F - 0 0 25 -2,-0.3 -25,-0.2 1,-0.1 2,-0.1 -0.584 40.6-110.5 -86.9 160.3 36.7 29.4 13.7 452 211 B G B -n 426 0D 18 -27,-3.3 -25,-2.7 -2,-0.2 2,-0.3 -0.353 27.5-126.2 -87.2 168.4 35.2 26.6 15.6 453 212 B Q >> - 0 0 92 -27,-0.2 3,-1.3 1,-0.1 4,-1.2 -0.835 20.6-113.8-116.0 146.4 35.1 23.0 14.5 454 213 B D H >> S+ 0 0 39 -2,-0.3 4,-2.1 -27,-0.3 3,-0.5 0.883 117.5 56.4 -21.4 -62.5 32.4 20.4 14.1 455 214 B T H 3> S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.702 95.4 62.7 -62.7 -25.3 33.8 18.5 17.0 456 215 B D H <> S+ 0 0 54 -3,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.934 109.8 42.5 -65.9 -41.9 33.6 21.5 19.5 457 216 B I H < S+ 0 0 91 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.946 108.3 50.6 -51.6 -49.1 28.7 16.3 27.6 464 223 B L H 3< S+ 0 0 2 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.841 112.2 47.4 -60.5 -33.2 25.1 17.5 27.9 465 224 B A H 3< S+ 0 0 11 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.579 97.6 95.9 -79.1 -15.3 23.8 14.0 27.2 466 225 B S S X< S- 0 0 23 -3,-1.4 3,-2.3 -4,-1.2 4,-0.1 -0.487 86.8-115.9 -87.4 150.5 26.1 12.4 29.7 467 226 B D G > S+ 0 0 113 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.781 112.1 74.5 -41.1 -31.9 25.4 11.5 33.3 468 227 B K G 3 S+ 0 0 180 1,-0.3 -1,-0.3 2,-0.1 -4,-0.1 0.406 101.1 39.7 -69.9 5.8 28.0 14.1 34.1 469 228 B A G X S+ 0 0 3 -3,-2.3 3,-2.2 -5,-0.1 -1,-0.3 0.157 72.3 122.0-138.4 17.2 25.5 16.8 33.3 470 229 B K T < S+ 0 0 134 -3,-1.5 -2,-0.1 1,-0.3 -3,-0.1 0.484 73.7 57.1 -74.2 -3.4 22.2 15.5 34.7 471 230 B Y T 3 S+ 0 0 235 -4,-0.1 2,-0.7 -3,-0.0 -1,-0.3 0.251 87.3 95.3-103.9 10.9 21.8 18.6 36.9 472 231 B I < + 0 0 50 -3,-2.2 2,-0.4 -8,-0.1 -3,-0.1 -0.860 51.7 161.0-103.0 117.4 21.9 20.9 33.9 473 232 B T + 0 0 48 -2,-0.7 -54,-0.2 -56,-0.1 3,-0.1 -0.978 52.7 5.0-145.9 140.7 18.6 21.9 32.5 474 233 B G S S+ 0 0 11 -56,-3.0 2,-0.3 -2,-0.4 -55,-0.2 0.679 90.0 134.6 76.0 22.8 17.0 24.6 30.3 475 234 B Q - 0 0 101 -57,-0.2 -55,-2.9 -71,-0.1 2,-0.5 -0.695 49.1-144.5-103.3 146.2 20.4 26.1 29.6 476 235 B T E -m 420 0C 34 -2,-0.3 2,-0.5 -57,-0.2 -55,-0.2 -0.975 12.9-153.6-108.1 129.7 21.9 27.3 26.4 477 236 B I E -m 421 0C 57 -57,-2.4 -55,-4.0 -2,-0.5 2,-0.6 -0.897 7.1-149.4-100.9 126.1 25.7 26.7 25.9 478 237 B H E -m 422 0C 63 -2,-0.5 2,-0.6 -57,-0.2 3,-0.1 -0.842 14.2-176.8 -99.3 121.4 27.3 29.1 23.6 479 238 B V E +m 423 0C 30 -57,-2.1 -55,-1.6 -2,-0.6 -98,-0.1 -0.845 41.5 118.1-119.7 91.2 30.3 27.6 21.8 480 239 B N S > S- 0 0 16 -2,-0.6 3,-1.7 -57,-0.2 -55,-0.3 0.149 81.5-107.5-151.8 11.5 31.6 30.6 19.9 481 240 B G T 3 S- 0 0 26 1,-0.3 -33,-1.9 -3,-0.1 -32,-0.2 0.735 83.6 -51.4 59.2 26.9 35.1 31.4 21.0 482 241 B G T 3 S+ 0 0 20 2,-0.3 -1,-0.3 -35,-0.2 3,-0.1 0.334 100.3 127.6 95.6 -6.9 33.9 34.5 22.8 483 242 B M S < S+ 0 0 45 -3,-1.7 2,-0.4 1,-0.2 -2,-0.1 0.835 83.2 23.9 -47.5 -40.2 31.9 36.2 20.0 484 243 B Y 0 0 82 1,-0.1 -2,-0.3 -6,-0.0 -1,-0.2 -0.991 360.0 360.0-136.2 130.7 28.9 36.5 22.3 485 244 B M 0 0 198 -2,-0.4 -1,-0.1 -3,-0.1 -2,-0.1 0.582 360.0 360.0-131.6 360.0 29.1 36.5 26.1