==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-JUN-12 4FS3 . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH] FA . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR N.KAPLAN,J.YETHON,E.BARDOUNIOTIS,R.THALAKADA,M.ALBERT,D.E.AW . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 13.3 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 . 21 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 0 0 0 0 1 0 0 4 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 1 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 . 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 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 1 A M 0 0 211 0, 0.0 3,-0.1 0, 0.0 234,-0.0 0.000 360.0 360.0 360.0 142.5 107.7 37.2 20.5 2 2 A L + 0 0 60 1,-0.2 2,-0.8 229,-0.1 230,-0.0 0.692 360.0 132.6 54.0 23.1 106.3 39.8 23.0 3 3 A N - 0 0 91 1,-0.1 3,-0.4 29,-0.1 -1,-0.2 -0.917 31.4-179.1 -93.0 110.2 104.2 37.2 24.9 4 4 A L > + 0 0 3 27,-2.1 3,-1.8 -2,-0.8 30,-0.3 0.205 38.2 122.4 -98.5 21.2 105.2 38.2 28.4 5 5 A E T 3 S+ 0 0 121 26,-0.3 -1,-0.2 1,-0.3 27,-0.1 0.815 77.8 38.0 -57.3 -36.3 103.1 35.6 30.2 6 6 A N T 3 S+ 0 0 155 -3,-0.4 2,-0.3 27,-0.1 -1,-0.3 0.012 100.7 98.3-107.9 40.9 105.8 33.8 32.0 7 7 A K < - 0 0 76 -3,-1.8 27,-3.0 25,-0.2 2,-0.4 -0.885 53.6-155.8-124.2 151.4 107.8 36.9 32.9 8 8 A T E -a 34 0A 15 -2,-0.3 80,-3.4 25,-0.2 81,-0.9 -0.995 10.6-172.7-131.4 130.8 108.0 39.0 36.0 9 9 A Y E -ab 35 89A 2 25,-2.2 27,-2.7 -2,-0.4 2,-0.6 -0.971 18.6-140.5-126.9 142.5 109.0 42.7 36.2 10 10 A V E -ab 36 90A 0 79,-2.3 81,-2.9 -2,-0.4 2,-0.5 -0.884 19.5-161.2 -98.5 127.9 109.6 45.0 39.1 11 11 A I E -ab 37 91A 1 25,-3.4 27,-2.0 -2,-0.6 2,-0.5 -0.948 6.2-169.3-114.0 123.5 108.3 48.5 38.5 12 12 A M E +ab 38 92A 0 79,-3.2 81,-2.1 -2,-0.5 27,-0.1 -0.943 59.8 32.4-117.8 127.9 109.7 51.4 40.6 13 13 A G + 0 0 26 25,-0.8 2,-0.5 -2,-0.5 8,-0.3 0.542 61.3 149.7 110.2 10.4 108.3 54.9 40.8 14 14 A I + 0 0 12 24,-0.5 -1,-0.3 -3,-0.2 3,-0.1 -0.641 7.2 163.5 -68.2 125.2 104.5 54.7 40.2 15 15 A A - 0 0 60 -2,-0.5 2,-0.2 1,-0.4 -1,-0.2 0.738 61.5 -28.5-106.1 -40.9 102.9 57.5 42.1 16 16 A N S > S- 0 0 53 35,-0.0 3,-1.8 32,-0.0 -1,-0.4 -0.877 82.4 -64.3-160.5-171.3 99.4 57.6 40.5 17 17 A K T 3 S+ 0 0 135 1,-0.3 -3,-0.0 -2,-0.2 178,-0.0 0.665 127.9 54.4 -66.0 -16.8 97.5 56.9 37.3 18 18 A R T 3 S+ 0 0 130 4,-0.1 -1,-0.3 205,-0.0 205,-0.1 0.491 80.0 120.9 -93.4 -6.1 99.4 59.6 35.5 19 19 A S X> - 0 0 10 -3,-1.8 4,-1.3 1,-0.1 3,-0.8 -0.303 67.3-133.7 -60.2 137.6 102.9 58.2 36.3 20 20 A I H >> S+ 0 0 30 1,-0.2 4,-1.8 2,-0.2 3,-0.7 0.917 109.1 58.5 -52.8 -43.4 105.0 57.2 33.3 21 21 A A H 3> S+ 0 0 0 -8,-0.3 4,-2.4 1,-0.3 -1,-0.2 0.744 99.8 57.2 -62.5 -24.6 105.7 53.9 35.2 22 22 A F H <> S+ 0 0 2 -3,-0.8 4,-2.6 -6,-0.2 -1,-0.3 0.836 102.6 53.3 -75.0 -32.4 102.0 53.2 35.2 23 23 A G H S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 3,-0.3 0.923 113.6 52.2 -60.7 -42.4 103.4 44.9 30.4 29 29 A D H ><5S+ 0 0 31 -4,-2.8 3,-1.8 -5,-0.3 -1,-0.2 0.921 107.1 51.0 -59.6 -42.2 100.2 43.8 32.1 30 30 A Q H 3<5S+ 0 0 162 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.799 105.9 57.1 -67.5 -26.3 98.3 43.6 28.8 31 31 A L T 3<5S- 0 0 46 -4,-1.5 -27,-2.1 -3,-0.3 -26,-0.3 0.431 126.3-103.0 -81.5 -4.0 101.2 41.5 27.4 32 32 A G T < 5 + 0 0 31 -3,-1.8 -3,-0.2 1,-0.2 -25,-0.2 0.456 67.6 151.7 102.2 2.6 100.6 39.0 30.2 33 33 A A < - 0 0 2 -5,-2.2 2,-0.4 -27,-0.1 -1,-0.2 -0.299 46.0-125.1 -69.3 148.7 103.5 39.9 32.6 34 34 A K E -a 8 0A 89 -27,-3.0 -25,-2.2 -30,-0.3 2,-0.4 -0.787 35.2-150.6 -85.8 135.7 103.4 39.4 36.4 35 35 A L E -a 9 0A 0 -2,-0.4 26,-0.6 24,-0.2 2,-0.4 -0.898 19.6-167.6-120.4 142.0 104.2 42.7 38.0 36 36 A V E -ac 10 61A 0 -27,-2.7 -25,-3.4 -2,-0.4 2,-0.4 -0.964 16.7-158.1-121.3 136.8 105.8 43.7 41.3 37 37 A F E -ac 11 62A 5 24,-2.6 26,-2.5 -2,-0.4 2,-0.3 -0.941 5.0-161.0-120.1 139.2 105.6 47.4 42.5 38 38 A T E -ac 12 63A 3 -27,-2.0 -25,-0.8 -2,-0.4 -24,-0.5 -0.837 8.5-177.0-115.3 159.0 107.7 49.4 44.9 39 39 A Y E - c 0 64A 12 24,-1.8 26,-2.7 -2,-0.3 -24,-0.1 -0.971 27.0-128.1-152.2 157.9 106.8 52.6 46.7 40 40 A R S S+ 0 0 123 -2,-0.3 2,-0.3 24,-0.2 -1,-0.1 0.945 83.5 25.6 -80.3 -50.7 108.7 55.0 49.0 41 41 A K S > S- 0 0 67 1,-0.1 3,-2.2 24,-0.1 4,-0.3 -0.895 70.4-123.8-123.2 146.1 106.6 55.5 52.1 42 42 A E G > S+ 0 0 105 -2,-0.3 3,-2.1 1,-0.3 4,-0.5 0.853 106.6 72.9 -59.0 -34.0 103.9 53.3 53.8 43 43 A R G 3 S+ 0 0 196 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.761 97.3 50.2 -48.2 -27.2 101.4 56.3 53.4 44 44 A S G <> S+ 0 0 44 -3,-2.2 4,-1.9 1,-0.1 -1,-0.3 0.527 85.2 89.5 -91.1 -6.5 101.3 55.5 49.6 45 45 A R H <> S+ 0 0 67 -3,-2.1 4,-3.0 -4,-0.3 5,-0.2 0.907 85.4 48.1 -61.3 -47.4 100.6 51.8 49.8 46 46 A K H > S+ 0 0 153 -4,-0.5 4,-2.6 2,-0.2 5,-0.2 0.945 112.9 45.7 -64.3 -51.1 96.8 51.9 49.9 47 47 A E H > S+ 0 0 116 -4,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.862 115.5 49.8 -59.2 -35.6 96.3 54.3 47.0 48 48 A L H X S+ 0 0 5 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.913 109.9 48.9 -69.9 -44.6 98.8 52.3 45.0 49 49 A E H X S+ 0 0 60 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.926 114.7 47.0 -54.4 -46.4 97.1 48.9 45.8 50 50 A K H >< S+ 0 0 107 -4,-2.6 3,-0.7 1,-0.2 4,-0.5 0.947 111.6 49.0 -66.1 -49.1 93.8 50.5 44.7 51 51 A L H >< S+ 0 0 15 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.917 110.5 52.6 -52.9 -46.0 95.3 52.0 41.5 52 52 A L H ><>S+ 0 0 17 -4,-2.6 3,-1.7 1,-0.3 5,-0.6 0.673 88.5 76.2 -71.8 -21.5 96.9 48.6 40.7 53 53 A E G X<5S+ 0 0 133 -4,-1.3 3,-1.4 -3,-0.7 -1,-0.3 0.757 81.8 74.0 -54.3 -25.3 93.5 46.7 41.0 54 54 A Q G < 5S+ 0 0 132 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.788 91.3 54.5 -59.2 -28.9 92.8 48.2 37.6 55 55 A L G < 5S- 0 0 15 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.576 100.7-139.9 -82.3 -13.3 95.3 45.7 36.1 56 56 A N T < 5 + 0 0 144 -3,-1.4 -3,-0.1 -4,-0.3 -2,-0.1 0.856 31.4 179.6 57.6 38.4 93.4 42.8 37.7 57 57 A Q < - 0 0 36 -5,-0.6 -1,-0.2 1,-0.1 -23,-0.1 -0.504 34.4-128.4 -70.6 140.7 96.6 41.0 38.6 58 58 A P S S+ 0 0 121 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.748 94.5 28.7 -65.9 -22.1 95.9 37.7 40.3 59 59 A E S S- 0 0 125 -24,-0.1 2,-0.8 2,-0.0 -24,-0.2 -0.998 77.5-134.2-140.0 135.4 98.2 38.7 43.2 60 60 A A - 0 0 72 -2,-0.3 2,-0.8 -3,-0.1 -24,-0.1 -0.809 23.6-173.9 -92.8 103.4 99.1 42.2 44.5 61 61 A H E +c 36 0A 27 -2,-0.8 -24,-2.6 -26,-0.6 2,-0.4 -0.859 16.4 159.1-103.1 103.7 102.9 42.3 45.0 62 62 A L E -c 37 0A 9 -2,-0.8 2,-0.4 -26,-0.2 -24,-0.2 -0.991 16.0-173.3-133.1 136.1 103.9 45.6 46.6 63 63 A Y E -c 38 0A 29 -26,-2.5 -24,-1.8 -2,-0.4 2,-0.7 -0.989 24.3-130.6-135.6 131.8 107.1 46.5 48.6 64 64 A Q E +c 39 0A 83 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.733 39.8 161.8 -80.2 112.5 108.1 49.6 50.6 65 65 A I - 0 0 5 -26,-2.7 2,-0.7 -2,-0.7 -24,-0.1 -0.941 25.7-165.8-138.1 113.3 111.6 50.6 49.3 66 66 A D > - 0 0 29 -2,-0.4 3,-2.2 1,-0.1 7,-0.3 -0.905 16.3-150.4 -93.5 115.7 113.1 54.0 49.9 67 67 A V T 3 S+ 0 0 10 -2,-0.7 -1,-0.1 1,-0.3 60,-0.1 0.589 90.5 72.1 -71.6 -7.6 116.1 54.0 47.5 68 68 A Q T 3 S+ 0 0 76 1,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.593 89.3 74.2 -74.6 -11.9 118.0 56.4 49.8 69 69 A S <> - 0 0 32 -3,-2.2 4,-2.0 1,-0.2 5,-0.2 -0.921 63.6-162.9-109.2 116.0 118.4 53.4 52.2 70 70 A D H > S+ 0 0 93 -2,-0.6 4,-2.7 1,-0.2 5,-0.3 0.921 95.7 53.1 -55.2 -48.3 120.9 50.7 51.3 71 71 A E H > S+ 0 0 137 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.901 108.7 48.6 -54.7 -45.9 119.2 48.4 53.8 72 72 A E H > S+ 0 0 66 -6,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.873 113.2 46.8 -68.4 -35.7 115.7 48.9 52.3 73 73 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 -7,-0.3 5,-0.3 0.945 117.4 42.0 -70.3 -47.7 116.9 48.3 48.8 74 74 A I H X S+ 0 0 64 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.961 119.2 43.9 -60.4 -51.7 118.9 45.1 49.7 75 75 A N H X S+ 0 0 74 -4,-3.0 4,-2.7 -5,-0.3 -2,-0.2 0.892 112.9 53.7 -64.3 -40.6 116.1 43.8 52.0 76 76 A G H X S+ 0 0 9 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.929 111.2 42.0 -60.8 -54.4 113.4 44.6 49.5 77 77 A F H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.873 113.3 54.5 -64.4 -35.6 114.8 42.8 46.5 78 78 A E H X S+ 0 0 104 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.944 110.2 46.8 -60.0 -45.6 115.7 39.9 48.8 79 79 A Q H X S+ 0 0 78 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.892 109.6 54.2 -64.1 -39.7 112.1 39.7 49.9 80 80 A I H X>S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.9 0.929 108.3 49.5 -56.7 -44.9 110.9 40.0 46.3 81 81 A G H X5S+ 0 0 18 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.910 112.1 47.9 -63.4 -41.0 113.1 37.0 45.4 82 82 A K H <5S+ 0 0 142 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.875 119.5 38.8 -64.8 -37.4 111.7 35.0 48.4 83 83 A D H <5S+ 0 0 85 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.861 136.2 10.7 -83.9 -40.1 108.1 35.8 47.5 84 84 A V H <5S- 0 0 24 -4,-2.9 2,-0.2 1,-0.3 -3,-0.2 0.558 95.1-134.6-119.1 -17.1 108.0 35.7 43.7 85 85 A G << - 0 0 27 -4,-1.0 -1,-0.3 -5,-0.9 -2,-0.1 -0.610 57.7 -3.0 95.6-156.4 111.3 34.1 42.7 86 86 A N - 0 0 100 -2,-0.2 2,-0.2 -4,-0.1 50,-0.2 -0.359 68.6-144.3 -71.9 153.7 113.6 35.3 39.9 87 87 A I - 0 0 5 48,-2.0 -78,-0.2 45,-0.2 3,-0.1 -0.731 15.6-141.2-117.6 167.3 112.6 38.2 37.8 88 88 A D S S- 0 0 52 -80,-3.4 53,-1.5 1,-0.3 2,-0.3 0.592 74.1 -31.0-102.4 -14.7 113.1 39.2 34.1 89 89 A G E -bd 9 141A 0 -81,-0.9 -79,-2.3 51,-0.2 2,-0.4 -0.974 48.3-115.0 174.8 176.4 113.7 42.9 34.6 90 90 A V E -bd 10 142A 0 51,-1.7 53,-2.5 -2,-0.3 2,-0.5 -0.992 11.4-154.6-134.3 134.0 113.3 46.2 36.4 91 91 A Y E -bd 11 143A 0 -81,-2.9 -79,-3.2 -2,-0.4 2,-0.5 -0.973 17.0-161.9-109.2 119.9 111.7 49.5 35.2 92 92 A H E +bd 12 144A 0 51,-3.4 53,-1.4 -2,-0.5 -79,-0.2 -0.912 25.5 156.5-108.0 121.5 113.2 52.4 37.1 93 93 A S + 0 0 27 -81,-2.1 2,-0.5 -2,-0.5 -72,-0.2 -0.465 29.9 129.7-139.4 55.4 111.2 55.7 37.1 94 94 A I + 0 0 29 27,-0.1 2,-0.3 51,-0.1 31,-0.1 -0.974 19.6 148.0-121.1 128.7 112.5 57.5 40.2 95 95 A A + 0 0 41 -2,-0.5 2,-0.3 -82,-0.1 22,-0.1 -0.977 11.1 170.3-152.8 147.7 113.8 61.1 40.4 96 96 A F + 0 0 102 -2,-0.3 25,-0.3 21,-0.3 2,-0.3 -0.921 9.0 163.7-159.5 142.6 113.8 63.9 42.9 97 97 A A - 0 0 6 -2,-0.3 2,-0.1 23,-0.1 5,-0.1 -0.964 50.5 -90.9-141.7 151.9 115.3 67.3 43.5 98 98 A N > - 0 0 54 -2,-0.3 3,-1.9 15,-0.2 4,-0.4 -0.392 37.5-124.8 -56.3 134.8 114.2 70.0 46.0 99 99 A M G > S+ 0 0 63 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.833 108.7 64.9 -54.4 -33.9 111.7 72.3 44.3 100 100 A E G >> S+ 0 0 119 1,-0.3 4,-0.7 2,-0.1 3,-0.6 0.775 98.8 55.6 -61.7 -24.5 113.8 75.3 45.1 101 101 A D G <4 S+ 0 0 11 -3,-1.9 58,-0.9 1,-0.2 -1,-0.3 0.526 96.8 64.4 -86.6 -7.3 116.5 73.9 42.8 102 102 A L G <4 S+ 0 0 37 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.1 0.082 113.0 29.4-104.0 22.7 114.1 73.6 39.8 103 103 A R T <4 S+ 0 0 147 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.1 0.363 100.5 94.7-151.1 -15.4 113.6 77.3 39.5 104 104 A G S < S- 0 0 34 -4,-0.7 2,-0.6 52,-0.2 52,-0.2 0.201 90.9 -82.2 -67.0-171.9 116.7 78.9 40.7 105 105 A R > - 0 0 179 1,-0.1 3,-1.8 53,-0.0 -1,-0.2 -0.913 44.6-133.7 -81.1 127.0 119.8 80.1 39.0 106 106 A F G > S+ 0 0 87 -2,-0.6 3,-2.2 1,-0.3 -1,-0.1 0.838 102.1 66.0 -53.0 -38.0 121.6 76.8 38.7 107 107 A S G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.692 95.0 60.4 -60.1 -17.2 124.9 78.4 40.0 108 108 A E G < S+ 0 0 140 -3,-1.8 -1,-0.3 -7,-0.0 -2,-0.2 0.387 75.6 132.5 -90.7 2.8 123.1 79.0 43.3 109 109 A T < - 0 0 30 -3,-2.2 2,-0.1 -4,-0.1 -3,-0.0 -0.307 55.1-127.4 -59.7 132.4 122.5 75.2 43.9 110 110 A S > - 0 0 34 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.411 15.2-119.6 -75.6 154.7 123.5 74.0 47.3 111 111 A R H > S+ 0 0 201 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.909 115.8 51.2 -55.9 -43.6 125.9 71.1 47.8 112 112 A E H > S+ 0 0 141 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 110.5 47.6 -65.6 -43.0 123.1 69.2 49.7 113 113 A G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.910 113.0 49.8 -64.2 -42.9 120.5 69.8 46.9 114 114 A F H X S+ 0 0 66 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.953 114.3 42.7 -58.9 -51.6 123.0 68.7 44.3 115 115 A L H X S+ 0 0 100 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.866 110.0 57.8 -67.0 -36.7 124.0 65.5 46.1 116 116 A L H X S+ 0 0 37 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.933 108.1 46.7 -55.0 -49.4 120.3 64.7 47.0 117 117 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.895 114.0 48.0 -62.1 -43.0 119.4 64.8 43.3 118 118 A Q H X>S+ 0 0 36 -4,-2.0 5,-2.7 3,-0.2 4,-1.7 0.904 111.5 50.9 -62.9 -44.5 122.4 62.6 42.4 119 119 A D H <>S+ 0 0 53 -4,-2.8 5,-1.4 3,-0.2 -2,-0.2 0.967 121.5 29.3 -58.8 -57.8 121.5 60.1 45.2 120 120 A I H <5S+ 0 0 17 -4,-2.5 -2,-0.2 -24,-0.2 -3,-0.2 0.908 127.7 39.6 -71.0 -42.6 117.9 59.6 44.3 121 121 A S H <5S+ 0 0 0 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.656 133.5 10.3 -90.1 -19.6 117.9 60.1 40.6 122 122 A S T >X5S+ 0 0 3 -4,-1.7 3,-1.2 -5,-0.3 4,-0.9 0.665 122.6 49.7-125.0 -59.1 121.2 58.4 39.7 123 123 A Y H >> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 -1,-0.3 0.871 105.9 53.1 -60.6 -40.1 119.9 52.8 39.6 126 126 A T H < S+ 0 0 12 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.899 115.4 51.3 -78.2 -38.9 120.4 43.9 44.1 132 132 A A H >< S+ 0 0 0 -4,-3.3 3,-1.7 -5,-0.3 -45,-0.2 0.849 98.6 65.3 -66.1 -32.9 118.2 43.1 41.1 133 133 A K H >< S+ 0 0 77 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.802 90.7 66.0 -59.6 -31.3 121.0 41.1 39.4 134 134 A K T << S+ 0 0 122 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.760 103.8 46.7 -59.9 -27.3 120.8 38.6 42.3 135 135 A L T < S+ 0 0 16 -3,-1.7 -48,-2.0 -4,-0.4 -1,-0.3 0.267 106.1 62.7 -95.3 7.4 117.3 37.8 41.0 136 136 A M X + 0 0 5 -3,-1.9 3,-2.3 -50,-0.2 -1,-0.2 -0.290 52.5 151.2-129.9 54.5 118.5 37.5 37.4 137 137 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.748 81.7 42.9 -63.4 -24.4 120.9 34.6 37.3 138 138 A E T 3 S- 0 0 181 1,-0.4 2,-0.1 -3,-0.1 -2,-0.0 0.282 125.5 -96.6 -99.8 10.5 120.1 33.8 33.6 139 139 A G < - 0 0 12 -3,-2.3 -1,-0.4 -6,-0.2 2,-0.3 -0.426 46.2-176.8 104.5-178.3 120.0 37.5 32.6 140 140 A G E - e 0 183A 17 42,-1.8 44,-2.3 -2,-0.1 2,-0.4 -0.971 27.2 -87.0 169.1-170.6 117.4 40.2 32.2 141 141 A S E -de 89 184A 1 -53,-1.5 -51,-1.7 -2,-0.3 2,-0.4 -0.997 23.2-165.6-139.1 131.0 116.7 43.8 31.2 142 142 A I E -de 90 185A 0 42,-2.9 44,-2.3 -2,-0.4 2,-0.4 -0.964 10.6-172.7-117.9 131.7 116.9 47.0 33.3 143 143 A V E -de 91 186A 0 -53,-2.5 -51,-3.4 -2,-0.4 2,-0.3 -0.988 2.6-168.1-129.2 134.4 115.3 50.3 32.0 144 144 A A E -de 92 187A 0 42,-2.1 44,-2.5 -2,-0.4 2,-0.5 -0.882 20.9-121.6-119.2 154.9 115.5 53.8 33.4 145 145 A T E + e 0 188A 8 -53,-1.4 2,-0.2 -2,-0.3 44,-0.2 -0.811 36.3 166.6 -99.8 131.3 113.6 56.9 32.6 146 146 A T E - e 0 189A 4 42,-3.5 44,-1.8 -2,-0.5 2,-0.3 -0.683 23.0-136.5-131.0-178.5 115.4 60.1 31.4 147 147 A Y > - 0 0 43 42,-0.2 3,-2.7 -2,-0.2 4,-0.3 -0.983 31.9-109.2-142.8 150.2 114.7 63.5 29.8 148 148 A L G >> S+ 0 0 23 42,-0.4 3,-2.0 -2,-0.3 4,-1.5 0.692 109.7 78.9 -52.4 -23.7 116.4 65.5 27.1 149 149 A G G 34 S+ 0 0 5 1,-0.3 -1,-0.3 2,-0.2 5,-0.3 0.614 84.5 61.8 -63.0 -13.3 117.6 67.9 29.9 150 150 A G G <4 S+ 0 0 13 -3,-2.7 -1,-0.3 14,-0.2 -2,-0.2 0.647 111.0 38.6 -81.0 -15.9 120.3 65.4 30.7 151 151 A E T <4 S+ 0 0 79 -3,-2.0 2,-0.3 -4,-0.3 -2,-0.2 0.630 127.4 21.1-102.8 -24.5 121.7 65.9 27.1 152 152 A F S < S- 0 0 110 -4,-1.5 2,-0.8 9,-0.0 -1,-0.3 -0.975 88.1 -97.1-143.4 153.1 121.2 69.7 26.8 153 153 A A - 0 0 111 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.674 43.6-172.1 -77.8 112.6 120.7 72.6 29.2 154 154 A V >> - 0 0 48 -2,-0.8 3,-1.1 -5,-0.3 4,-0.7 -0.850 35.2 -93.5-103.3 139.3 116.9 73.2 29.4 155 155 A Q T 34 S- 0 0 171 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 -0.254 103.3 -1.6 -60.6 137.4 115.7 76.3 31.3 156 156 A N T 34 S+ 0 0 73 -52,-0.2 -1,-0.2 1,-0.1 4,-0.2 0.090 101.1 102.4 72.6 -21.1 114.8 75.6 35.0 157 157 A Y T X> + 0 0 49 -3,-1.1 3,-2.0 -2,-0.3 4,-0.6 0.830 51.6 143.7 -65.7 -30.1 115.6 71.9 34.8 158 158 A N H >X + 0 0 27 -4,-0.7 4,-1.4 1,-0.3 3,-1.3 0.092 65.2 18.0 44.8-120.4 118.9 72.8 36.6 159 159 A V H 3> S+ 0 0 0 -58,-0.9 4,-2.1 1,-0.3 -1,-0.3 0.782 125.0 58.2 -57.9 -28.9 120.1 70.2 39.1 160 160 A M H <> S+ 0 0 9 -3,-2.0 4,-2.6 2,-0.2 -1,-0.3 0.821 100.7 56.7 -71.1 -30.3 117.8 67.5 37.6 161 161 A G H <>S+ 0 0 8 -4,-2.9 5,-1.8 1,-0.2 3,-1.7 0.583 89.8 91.2 -97.6 -13.1 126.5 43.7 33.5 179 179 A G G ><5S+ 0 0 34 -4,-1.7 3,-2.3 -5,-0.3 -1,-0.2 0.869 83.4 57.3 -47.5 -47.0 126.6 42.7 29.8 180 180 A P G 3 5S+ 0 0 111 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.720 103.6 54.8 -60.5 -20.9 128.7 39.6 30.5 181 181 A D G < 5S- 0 0 64 -3,-1.7 -2,-0.2 2,-0.2 3,-0.1 0.272 121.2-112.2 -91.4 10.3 125.9 38.5 32.9 182 182 A N T < 5S+ 0 0 109 -3,-2.3 -42,-1.8 1,-0.2 2,-0.5 0.799 74.3 137.9 59.4 34.4 123.4 38.9 30.0 183 183 A I E < -e 140 0A 1 -5,-1.8 2,-0.3 -44,-0.3 -1,-0.2 -0.957 40.0-155.8-109.4 121.3 121.8 41.8 31.7 184 184 A R E -e 141 0A 26 -44,-2.3 -42,-2.9 -2,-0.5 2,-0.4 -0.657 5.2-164.1 -94.3 147.7 121.0 44.7 29.4 185 185 A V E +e 142 0A 0 -2,-0.3 58,-3.0 -44,-0.2 59,-0.3 -0.988 19.5 156.4-138.8 123.6 120.6 48.3 30.7 186 186 A N E -e 143 0A 0 -44,-2.3 -42,-2.1 -2,-0.4 2,-0.3 -0.887 27.4-134.2-143.6 166.5 119.0 51.0 28.7 187 187 A A E -ef 144 245A 1 57,-2.6 59,-2.5 -2,-0.3 2,-0.5 -0.925 5.0-145.8-125.4 152.0 117.2 54.4 29.1 188 188 A I E -ef 145 246A 0 -44,-2.5 -42,-3.5 -2,-0.3 2,-1.1 -0.990 10.1-152.7-113.2 122.3 114.0 55.9 27.7 189 189 A S E -ef 146 247A 2 57,-2.2 59,-2.1 -2,-0.5 -42,-0.2 -0.785 22.6-161.4 -89.7 94.5 114.2 59.6 27.1 190 190 A A E - f 0 248A 4 -44,-1.8 -42,-0.4 -2,-1.1 59,-0.2 -0.546 14.2-124.5 -79.9 142.0 110.5 60.5 27.5 191 191 A G - 0 0 8 57,-2.3 59,-0.1 -2,-0.2 -1,-0.1 -0.275 55.6 -63.4 -67.9 169.8 109.1 63.8 26.1 192 192 A P - 0 0 10 0, 0.0 29,-0.4 0, 0.0 2,-0.4 -0.328 59.0-178.0 -62.5 136.4 107.3 66.0 28.6 193 193 A I - 0 0 17 -3,-0.1 2,-1.0 27,-0.1 4,-0.1 -0.999 34.5-112.5-136.3 135.6 104.2 64.5 30.1 194 194 A R + 0 0 114 -2,-0.4 2,-0.2 3,-0.1 11,-0.0 -0.566 64.1 133.3 -70.6 101.7 101.8 66.1 32.5 195 195 A T S > S- 0 0 24 -2,-1.0 3,-2.1 -176,-0.0 4,-0.3 -0.746 76.4 -77.8-132.5-176.7 102.3 63.9 35.7 196 196 A L G > S+ 0 0 89 1,-0.3 3,-1.1 -2,-0.2 -2,-0.1 0.779 127.5 64.1 -55.8 -28.7 102.8 64.6 39.4 197 197 A S G 3 S+ 0 0 102 1,-0.2 -1,-0.3 -4,-0.1 -3,-0.1 0.527 95.6 58.4 -78.7 -1.5 106.4 65.5 38.5 198 198 A A G X S+ 0 0 9 -3,-2.1 3,-1.7 2,-0.1 -1,-0.2 0.522 79.6 117.8 -95.1 -8.1 105.1 68.5 36.5 199 199 A K T < S+ 0 0 166 -3,-1.1 3,-0.1 -4,-0.3 -3,-0.0 -0.414 84.4 8.0 -69.8 125.0 103.4 69.9 39.6 200 200 A G T 3 S+ 0 0 56 1,-0.2 2,-0.8 -2,-0.2 -1,-0.3 0.265 92.3 132.3 87.5 -10.9 104.8 73.3 40.5 201 201 A V X - 0 0 43 -3,-1.7 3,-1.2 1,-0.0 -1,-0.2 -0.651 54.7-136.5 -75.9 107.0 106.9 73.5 37.3 202 202 A G T 3 S+ 0 0 58 -2,-0.8 -1,-0.0 1,-0.2 -3,-0.0 -0.337 81.8 17.3 -65.9 144.4 106.2 76.9 35.9 203 203 A G T >> S+ 0 0 45 3,-0.1 4,-1.7 1,-0.1 3,-0.5 0.647 76.9 140.5 72.6 15.9 105.6 77.2 32.2 204 204 A F H <> S+ 0 0 27 -3,-1.2 4,-2.3 1,-0.3 5,-0.2 0.900 71.1 53.7 -60.3 -39.0 104.9 73.5 31.8 205 205 A N H 3> S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.834 105.1 55.3 -63.2 -30.5 102.1 74.2 29.3 206 206 A T H <> S+ 0 0 105 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.879 106.0 50.8 -66.8 -40.0 104.6 76.3 27.3 207 207 A I H X S+ 0 0 44 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.945 111.5 47.9 -60.2 -49.3 106.9 73.2 27.1 208 208 A L H X S+ 0 0 24 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.886 110.5 52.7 -59.2 -39.6 104.0 71.1 25.9 209 209 A K H X S+ 0 0 96 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.886 104.6 54.8 -64.8 -39.0 103.1 73.7 23.3 210 210 A E H X S+ 0 0 89 -4,-2.0 4,-2.4 2,-0.2 5,-0.4 0.895 108.1 49.0 -63.4 -39.6 106.6 73.8 21.9 211 211 A I H X S+ 0 0 6 -4,-1.7 4,-2.6 1,-0.2 8,-0.3 0.950 110.7 50.7 -62.7 -49.4 106.6 70.1 21.2 212 212 A K H < S+ 0 0 80 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.852 117.9 39.1 -55.4 -35.8 103.3 70.3 19.5 213 213 A E H < S+ 0 0 126 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.795 130.5 22.8 -87.6 -30.1 104.5 73.1 17.3 214 214 A R H < S+ 0 0 121 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.716 90.8 97.4-114.2 -28.3 108.0 71.9 16.6 215 215 A A S >< S- 0 0 0 -4,-2.6 3,-1.8 -5,-0.4 36,-0.2 -0.338 81.2-112.0 -68.8 148.3 108.4 68.1 17.0 216 216 A P T 3 S+ 0 0 69 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 0.874 118.3 45.7 -44.6 -45.2 108.2 66.0 13.8 217 217 A L T 3 S- 0 0 99 33,-2.3 34,-0.1 2,-0.2 3,-0.1 0.525 101.2-137.1 -83.5 -2.6 104.9 64.3 14.9 218 218 A K S < S+ 0 0 116 -3,-1.8 2,-0.3 32,-0.3 -6,-0.2 0.856 72.2 81.7 50.5 42.8 103.5 67.7 15.9 219 219 A R S S- 0 0 97 -8,-0.3 -2,-0.2 31,-0.1 2,-0.2 -0.967 80.3-104.9-162.5 161.5 102.0 66.3 19.1 220 220 A N - 0 0 35 -2,-0.3 2,-0.2 -3,-0.1 -27,-0.1 -0.509 34.3-122.1 -88.0 163.3 103.0 65.3 22.5 221 221 A V - 0 0 13 -29,-0.4 2,-0.3 -2,-0.2 -1,-0.1 -0.472 21.7-141.9 -98.0 170.2 103.6 61.7 23.7 222 222 A D > - 0 0 73 -2,-0.2 4,-1.7 -29,-0.1 3,-0.3 -0.804 29.3 -97.2-131.0 178.6 101.9 59.8 26.5 223 223 A Q H > S+ 0 0 31 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.835 120.0 54.8 -65.2 -34.2 102.7 57.3 29.2 224 224 A V H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.875 104.2 55.1 -67.6 -35.3 101.4 54.3 27.1 225 225 A E H > S+ 0 0 38 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.931 110.3 45.4 -64.1 -41.0 103.7 55.3 24.3 226 226 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.927 111.0 55.3 -63.1 -42.6 106.7 55.2 26.8 227 227 A G H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.842 103.9 53.2 -59.7 -36.6 105.3 51.9 28.0 228 228 A K H X S+ 0 0 123 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.887 111.5 45.2 -67.9 -38.0 105.3 50.3 24.5 229 229 A T H X S+ 0 0 34 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.883 110.1 55.8 -71.2 -35.6 109.0 51.2 24.1 230 230 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.890 104.9 52.7 -62.7 -35.5 109.6 49.9 27.6 231 231 A A H X S+ 0 0 2 -4,-2.1 4,-1.5 2,-0.2 6,-0.2 0.920 109.0 49.4 -63.5 -45.6 108.1 46.5 26.6 232 232 A Y H < S+ 0 0 77 -4,-1.7 6,-0.8 1,-0.2 3,-0.3 0.935 115.5 43.5 -55.1 -51.5 110.4 46.3 23.6 233 233 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.828 115.6 47.7 -66.9 -33.9 113.4 47.1 25.9 234 234 A L H < S+ 0 0 6 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.691 108.7 65.8 -81.4 -19.0 112.3 44.8 28.6 235 235 A S S >< S- 0 0 8 -4,-1.5 3,-1.1 -3,-0.3 -95,-0.0 -0.359 98.5 -99.5 -96.1 176.7 111.7 41.9 26.2 236 236 A D G > S+ 0 0 129 1,-0.2 3,-1.7 2,-0.1 4,-0.1 0.513 106.5 86.6 -76.4 -6.9 113.9 39.8 24.0 237 237 A L G 3 S+ 0 0 83 1,-0.3 3,-0.3 -6,-0.2 -1,-0.2 0.841 93.9 45.8 -56.8 -30.7 112.9 41.9 21.0 238 238 A S G X S+ 0 0 1 -3,-1.1 3,-2.5 -6,-0.8 -1,-0.3 -0.010 75.6 134.2-100.1 27.8 115.7 44.2 22.1 239 239 A S T < S+ 0 0 72 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.746 72.9 43.3 -58.0 -30.0 118.2 41.4 22.6 240 240 A G T 3 S+ 0 0 77 -3,-0.3 2,-0.6 -4,-0.1 -1,-0.3 0.348 97.9 95.0 -93.8 10.4 121.2 43.1 20.8 241 241 A V < + 0 0 35 -3,-2.5 2,-0.3 -8,-0.1 -3,-0.1 -0.880 42.4 143.6-113.9 119.2 120.5 46.5 22.4 242 242 A T + 0 0 63 -2,-0.6 -56,-0.2 -58,-0.1 3,-0.1 -0.994 59.4 24.0-153.5 154.2 122.3 47.8 25.5 243 243 A G S S+ 0 0 23 -58,-3.0 -57,-0.2 -2,-0.3 2,-0.2 0.661 90.3 137.2 64.7 19.6 123.6 51.1 26.9 244 244 A E - 0 0 99 -59,-0.3 -57,-2.6 -73,-0.1 2,-0.5 -0.569 48.4-151.7 -95.9 158.8 121.1 52.8 24.5 245 245 A N E -f 187 0A 24 -59,-0.2 2,-0.5 -2,-0.2 -57,-0.2 -0.951 15.5-160.7-132.0 104.3 118.9 55.8 25.2 246 246 A I E -f 188 0A 41 -59,-2.5 -57,-2.2 -2,-0.5 2,-0.6 -0.804 12.3-136.7 -93.9 126.9 115.7 55.7 23.0 247 247 A H E -f 189 0A 39 -2,-0.5 2,-0.7 -59,-0.2 -57,-0.2 -0.707 20.2-178.5 -86.3 120.9 113.8 59.0 22.6 248 248 A V E +f 190 0A 15 -59,-2.1 -57,-2.3 -2,-0.6 -27,-0.1 -0.853 48.8 111.3-113.4 86.1 110.0 58.6 22.9 249 249 A D S > S- 0 0 10 -2,-0.7 3,-1.7 -59,-0.2 -1,-0.1 0.098 95.3 -93.1-156.5 22.1 109.3 62.2 22.2 250 250 A S T 3 S- 0 0 8 1,-0.3 -33,-2.3 -3,-0.1 -32,-0.3 0.654 86.0 -61.0 64.1 18.5 107.6 62.7 18.8 251 251 A G T > S+ 0 0 17 -35,-0.2 3,-2.0 -36,-0.2 4,-0.3 0.496 98.2 135.7 90.9 4.0 111.0 63.2 17.3 252 252 A F G X + 0 0 40 -3,-1.7 3,-1.6 1,-0.3 -2,-0.1 0.848 66.1 61.1 -56.8 -37.7 111.9 66.3 19.3 253 253 A H G 3 S+ 0 0 81 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.725 100.4 57.4 -58.9 -24.2 115.4 65.1 20.0 254 254 A A G < S+ 0 0 70 -3,-2.0 2,-0.3 2,-0.0 -1,-0.3 0.446 99.8 67.2 -91.7 -3.0 116.1 65.1 16.2 255 255 A I < 0 0 56 -3,-1.6 -40,-0.1 -4,-0.3 -41,-0.0 -0.767 360.0 360.0-119.6 162.4 115.3 68.8 15.5 256 256 A K 0 0 223 -2,-0.3 -1,-0.1 -42,-0.1 -4,-0.0 0.232 360.0 360.0-151.3 360.0 116.7 72.3 16.4