==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-JUN-12 4FW8 . COMPND 2 MOLECULE: 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR D.DUTTA,S.BHATTACHARYYA,A.K.DAS . 1679 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1198 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 262 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 0.8 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 . 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 . 120 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 219 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 478 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.5 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 5 1 6 3 4 3 7 9 6 0 0 1 0 4 0 0 0 1 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 4 12 12 8 4 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 . 7 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 3 5 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 20 A S > 0 0 42 0, 0.0 3,-1.3 0, 0.0 8,-0.1 0.000 360.0 360.0 360.0 79.6 17.9 -2.4 20.7 2 21 A F T 3 + 0 0 115 1,-0.3 4,-0.1 2,-0.1 3,-0.1 0.300 360.0 52.0 -82.2 7.4 21.2 -3.7 22.1 3 22 A L T 3> + 0 0 12 378,-0.1 4,-2.7 2,-0.1 -1,-0.3 -0.000 67.2 119.9-127.0 26.8 23.4 -1.3 20.2 4 23 A A T <4>S+ 0 0 23 -3,-1.3 5,-1.8 1,-0.2 -2,-0.1 0.827 82.7 43.6 -62.4 -31.1 21.6 1.9 21.2 5 24 A R T 45S+ 0 0 233 3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.900 112.5 51.6 -74.3 -44.9 24.9 3.1 22.8 6 25 A Q T 45S+ 0 0 110 -4,-0.1 2,-0.4 2,-0.1 -2,-0.2 0.900 118.1 37.6 -64.1 -45.6 27.1 1.9 19.8 7 26 A L T <5S- 0 0 29 -4,-2.7 2,-2.7 2,-0.1 -4,-0.0 -0.856 104.3-116.4 -94.1 141.4 24.9 3.8 17.3 8 27 A G T 5 + 0 0 87 -2,-0.4 -3,-0.2 2,-0.0 -4,-0.1 -0.315 67.1 146.3 -82.3 68.9 23.8 7.0 19.0 9 28 A V < - 0 0 32 -2,-2.7 -2,-0.1 -5,-1.8 -3,-0.0 -0.849 47.7-119.1-128.7 137.8 20.2 5.9 18.9 10 29 A P - 0 0 78 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.098 39.6 -96.5 -63.9 156.7 16.9 6.2 21.0 11 30 A Q - 0 0 126 1,-0.1 379,-0.0 -7,-0.0 0, 0.0 -0.539 54.2-105.4 -67.4 137.8 14.9 3.4 22.4 12 31 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 378,-0.1 -0.245 24.3-117.6 -64.3 155.6 12.1 2.6 20.0 13 32 A E - 0 0 37 376,-0.4 2,-0.7 -3,-0.1 116,-0.1 -0.723 29.9-114.7 -82.6 141.1 8.4 3.5 20.4 14 33 A T - 0 0 122 -2,-0.3 2,-0.4 1,-0.0 -1,-0.0 -0.755 38.3-131.1 -77.2 119.2 6.0 0.6 20.7 15 34 A L - 0 0 8 -2,-0.7 2,-0.4 1,-0.1 114,-0.1 -0.605 9.5-129.3 -82.4 126.3 4.0 1.1 17.6 16 35 A R - 0 0 56 -2,-0.4 2,-0.2 145,-0.1 145,-0.1 -0.617 32.2-173.9 -74.1 127.4 0.3 1.0 17.9 17 36 A R - 0 0 64 -2,-0.4 142,-0.2 1,-0.1 2,-0.1 -0.597 34.7 -59.1-116.5-179.1 -1.2 -1.4 15.4 18 37 A Y + 0 0 49 140,-0.3 2,-0.3 -2,-0.2 -1,-0.1 -0.370 48.1 171.1 -71.3 135.6 -4.8 -2.2 14.4 19 38 A R - 0 0 113 3,-0.1 3,-0.4 4,-0.1 2,-0.1 -0.982 36.7-116.3-137.3 128.2 -7.2 -3.6 17.0 20 39 A A S S+ 0 0 35 -2,-0.3 2,-0.3 1,-0.2 1020,-0.0 -0.428 99.9 21.4 -65.2 134.8 -10.9 -4.0 16.2 21 40 A G S S+ 0 0 67 1,-0.3 -1,-0.2 -2,-0.1 1044,-0.0 -0.381 94.5 110.7 105.3 -53.6 -13.0 -1.8 18.5 22 41 A E S S- 0 0 91 -3,-0.4 -1,-0.3 -2,-0.3 -3,-0.1 -0.148 80.0 -99.3 -47.6 142.9 -10.3 0.7 19.5 23 42 A P - 0 0 76 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.275 32.3-119.7 -62.7 160.3 -10.7 4.3 18.1 24 43 A P S S+ 0 0 42 0, 0.0 2,-0.3 0, 0.0 134,-0.2 0.856 92.7 32.7 -77.9 -33.9 -8.5 4.9 15.0 25 44 A L S S- 0 0 13 2,-0.1 2,-0.2 132,-0.1 34,-0.1 -0.857 73.4-132.2-117.5 157.7 -6.4 7.8 16.4 26 45 A T S S+ 0 0 62 -2,-0.3 2,-0.3 63,-0.3 63,-0.2 -0.300 85.0 11.3 -99.1 42.9 -5.2 8.4 20.0 27 46 A G S S- 0 0 24 -2,-0.2 23,-0.3 61,-0.1 30,-0.2 -0.966 99.3 -45.3 166.5 177.7 -6.3 12.1 20.1 28 47 A S E -a 57 0A 23 28,-1.7 30,-3.0 -2,-0.3 31,-1.8 -0.274 51.2-123.0 -71.8 158.9 -8.2 14.8 18.3 29 48 A L E -ab 59 51A 0 21,-2.8 23,-1.7 29,-0.2 2,-0.5 -0.919 20.0-163.1-110.4 111.7 -7.9 15.4 14.6 30 49 A L E -a 60 0A 34 29,-2.1 31,-3.2 -2,-0.6 2,-0.6 -0.826 4.2-172.2 -92.1 127.6 -6.8 18.8 13.3 31 50 A I E +a 61 0A 2 -2,-0.5 31,-0.2 21,-0.5 11,-0.1 -0.817 21.4 161.9-120.2 91.7 -7.6 19.6 9.7 32 51 A G E +a 62 0A 10 29,-2.5 31,-1.4 -2,-0.6 2,-0.1 -0.045 21.0 62.4 -94.8-161.5 -5.9 22.9 8.6 33 52 A G E -a 63 0A 36 29,-0.2 2,-0.3 42,-0.1 31,-0.2 -0.424 67.9 -94.9 85.0-157.4 -4.9 24.7 5.5 34 53 A A + 0 0 60 29,-2.0 32,-2.2 -2,-0.1 2,-0.3 -0.960 65.2 76.0-160.4 153.4 -6.9 26.1 2.6 35 54 A G S S- 0 0 39 -2,-0.3 4,-0.4 30,-0.2 3,-0.4 -0.901 94.1 -41.5 132.2-160.5 -7.9 24.8 -0.8 36 55 A R S S+ 0 0 72 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.208 123.9 54.6 -90.7 16.0 -10.4 22.3 -2.2 37 56 A V S > S+ 0 0 2 59,-0.1 4,-1.4 3,-0.1 5,-0.2 0.653 83.8 72.2-124.9 -20.3 -9.8 19.6 0.5 38 57 A V H > S+ 0 0 16 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.967 99.4 44.8 -71.9 -55.0 -10.3 21.0 4.0 39 58 A E H > S+ 0 0 149 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.919 116.5 43.6 -52.9 -54.7 -14.1 21.4 4.0 40 59 A P H > S+ 0 0 18 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.820 115.8 49.3 -65.9 -32.3 -15.1 18.1 2.4 41 60 A L H X S+ 0 0 9 -4,-1.4 4,-1.9 2,-0.2 5,-0.2 0.952 107.8 51.1 -72.0 -52.6 -12.6 16.2 4.5 42 61 A R H X S+ 0 0 119 -4,-2.7 4,-0.9 -5,-0.2 -1,-0.2 0.899 115.8 48.7 -42.1 -41.3 -13.7 17.7 7.8 43 62 A A H >< S+ 0 0 59 -4,-1.8 3,-0.7 -5,-0.3 4,-0.3 0.952 109.5 45.7 -72.4 -51.3 -17.1 16.6 6.5 44 63 A A H 3< S+ 0 0 44 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.681 118.2 45.6 -66.3 -17.3 -16.4 13.0 5.5 45 64 A L H 3X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.578 80.7 103.0-106.9 -9.6 -14.6 12.4 8.8 46 65 A E T << S+ 0 0 134 -4,-0.9 5,-0.4 -3,-0.7 -2,-0.1 0.845 88.0 36.0 -30.5 -67.0 -17.1 14.1 11.2 47 66 A K T 4 S+ 0 0 90 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.969 119.9 41.8 -66.4 -59.0 -18.5 10.9 12.5 48 67 A D T 4 S+ 0 0 95 -4,-0.3 2,-0.2 2,-0.1 -1,-0.2 0.684 115.2 46.9 -71.0 -16.8 -15.6 8.4 12.7 49 68 A Y S < S- 0 0 22 -4,-2.3 2,-0.7 -3,-0.1 -21,-0.1 -0.616 82.2-110.3-123.5-179.3 -13.1 10.9 14.0 50 69 A D - 0 0 112 -23,-0.3 -21,-2.8 -2,-0.2 2,-0.3 -0.752 40.5-161.2-120.7 78.3 -12.7 13.5 16.7 51 70 A L B -b 29 0A 37 -2,-0.7 2,-0.5 -5,-0.4 -21,-0.2 -0.438 16.5-107.1 -77.7 128.8 -12.5 16.9 15.0 52 71 A V 0 0 56 -23,-1.7 -21,-0.5 -2,-0.3 -1,-0.0 -0.797 360.0 360.0 -76.7 127.5 -11.1 20.1 16.5 53 72 A G 0 0 115 -2,-0.5 -1,-0.2 -23,-0.1 -2,-0.1 0.415 360.0 360.0-110.1 360.0 -13.1 22.2 17.2 54 ! 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 55 81 A D 0 0 134 0, 0.0 2,-0.4 0, 0.0 -28,-0.0 0.000 360.0 360.0 360.0 168.7 -5.4 17.6 25.4 56 82 A S - 0 0 50 33,-0.0 -28,-1.7 32,-0.0 2,-0.4 -0.998 360.0-121.8-145.8 133.1 -3.3 15.8 22.7 57 83 A F E -ac 28 87A 31 29,-2.5 31,-3.4 -2,-0.4 -28,-0.2 -0.625 19.6-176.6 -80.3 129.2 -3.5 15.7 18.9 58 84 A G E S+ 0 0 0 -30,-3.0 34,-1.1 -2,-0.4 2,-0.3 0.843 72.6 9.3 -86.5 -40.9 -4.0 12.3 17.3 59 85 A G E -ac 29 92A 0 -31,-1.8 -29,-2.1 32,-0.2 2,-0.4 -0.946 55.8-159.9-139.5 154.3 -3.7 13.6 13.7 60 86 A L E -ac 30 93A 0 32,-3.0 34,-2.3 -2,-0.3 2,-0.5 -0.957 12.5-177.3-136.1 117.2 -2.7 16.7 11.8 61 87 A V E -ac 31 94A 1 -31,-3.2 -29,-2.5 -2,-0.4 2,-0.5 -0.981 5.6-166.3-114.0 124.7 -3.9 17.2 8.2 62 88 A F E -ac 32 95A 9 32,-1.8 34,-3.0 -2,-0.5 2,-0.9 -0.970 14.7-142.0-113.9 126.1 -2.8 20.3 6.2 63 89 A D E +ac 33 96A 2 -31,-1.4 -29,-2.0 -2,-0.5 3,-0.3 -0.761 25.6 170.0 -86.0 103.6 -4.5 21.2 3.0 64 90 A A > + 0 0 0 32,-2.9 3,-2.4 -2,-0.9 33,-0.2 0.447 54.2 94.5 -91.1 -4.7 -1.8 22.5 0.6 65 91 A T T 3 S+ 0 0 9 31,-0.7 -30,-0.2 1,-0.3 -1,-0.2 0.824 76.7 65.3 -65.9 -26.9 -3.9 22.5 -2.6 66 92 A G T 3 S+ 0 0 34 -32,-2.2 2,-0.9 -3,-0.3 -1,-0.3 0.720 79.5 99.1 -58.2 -21.0 -4.7 26.2 -1.8 67 93 A I < + 0 0 15 -3,-2.4 45,-0.2 -33,-0.3 44,-0.1 -0.562 39.4 161.0 -84.0 106.7 -1.0 26.9 -2.4 68 94 A T + 0 0 70 -2,-0.9 43,-0.2 43,-0.1 -1,-0.2 0.672 61.3 33.8-103.4 -19.5 -0.6 28.3 -6.0 69 95 A E S > S- 0 0 102 41,-0.1 3,-1.3 39,-0.1 4,-0.4 -0.894 82.9-110.6-125.7 166.3 2.8 30.0 -5.8 70 96 A P G > S+ 0 0 6 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.839 114.1 66.7 -58.4 -31.5 6.1 29.3 -3.9 71 97 A A G > S+ 0 0 64 1,-0.3 3,-0.6 2,-0.2 649,-0.0 0.692 95.4 59.1 -62.1 -19.7 5.4 32.5 -1.7 72 98 A G G X S+ 0 0 30 -3,-1.3 3,-2.8 1,-0.2 -1,-0.3 0.641 75.1 89.7 -84.7 -16.8 2.4 30.6 -0.3 73 99 A L G X> + 0 0 0 -3,-1.6 3,-1.8 -4,-0.4 4,-0.7 0.777 65.5 88.1 -50.5 -23.7 4.5 27.7 1.1 74 100 A K H <> S+ 0 0 20 -3,-0.6 4,-2.1 -4,-0.3 -1,-0.3 0.787 71.8 74.5 -44.7 -31.8 4.7 30.0 4.1 75 101 A G H <> S+ 0 0 15 -3,-2.8 4,-3.1 1,-0.2 5,-0.3 0.864 85.3 58.6 -49.1 -48.0 1.5 28.2 5.2 76 102 A L H <> S+ 0 0 0 -3,-1.8 4,-3.0 1,-0.2 5,-0.4 0.920 109.2 46.6 -52.4 -51.4 3.2 24.9 6.2 77 103 A H H X S+ 0 0 6 -4,-0.7 4,-2.5 -3,-0.2 -1,-0.2 0.962 113.0 48.5 -49.6 -59.1 5.3 26.8 8.7 78 104 A E H < S+ 0 0 124 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.848 117.9 39.3 -58.3 -42.0 2.3 28.8 10.0 79 105 A F H X S+ 0 0 32 -4,-3.1 4,-0.7 -5,-0.1 -1,-0.2 0.914 122.1 38.1 -73.6 -45.9 0.1 25.7 10.5 80 106 A F H X S+ 0 0 0 -4,-3.0 4,-1.9 -5,-0.3 -2,-0.2 0.829 99.7 71.1 -81.0 -32.6 2.6 23.2 11.8 81 107 A T H < S+ 0 0 29 -4,-2.5 4,-0.5 -5,-0.4 -1,-0.2 0.852 103.9 39.0 -60.7 -41.0 4.9 25.2 14.0 82 108 A P H 4 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.842 118.6 48.5 -78.5 -25.9 2.4 25.8 16.9 83 109 A V H >< S+ 0 0 18 -4,-0.7 3,-1.6 1,-0.2 -2,-0.2 0.690 90.3 71.8 -91.7 -19.0 0.9 22.3 16.7 84 110 A L G >< S+ 0 0 26 -4,-1.9 3,-1.9 1,-0.3 -1,-0.2 0.891 85.9 71.5 -62.6 -38.9 3.9 19.9 16.7 85 111 A R G 3 S+ 0 0 93 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.752 108.2 37.4 -36.9 -26.2 4.5 20.7 20.3 86 112 A N G < S+ 0 0 66 -3,-1.6 -29,-2.5 -4,-0.1 -1,-0.3 0.141 76.8 130.5-129.7 12.6 1.4 18.7 20.9 87 113 A L E < -c 57 0A 19 -3,-1.9 -29,-0.2 -31,-0.2 3,-0.1 -0.559 51.3-127.9 -75.7 136.9 1.2 15.7 18.6 88 114 A G E > - 0 0 4 -31,-3.4 3,-1.6 -2,-0.2 2,-0.2 -0.042 37.4 -60.0 -77.5-179.5 0.5 12.5 20.4 89 115 A R E 3 S+ 0 0 118 1,-0.3 -63,-0.3 -63,-0.2 40,-0.2 -0.440 126.0 1.8 -58.5 125.7 2.1 9.0 20.6 90 116 A C E 3 S+ 0 0 10 38,-2.5 -1,-0.3 37,-0.3 -64,-0.2 0.867 95.5 179.3 53.8 40.9 2.1 7.6 17.0 91 117 A G E < - 0 0 0 -3,-1.6 40,-1.9 36,-0.3 2,-0.5 -0.091 21.8-131.4 -61.6 168.7 0.5 10.7 15.6 92 118 A R E -cd 59 131A 8 -34,-1.1 -32,-3.0 38,-0.2 2,-0.5 -0.945 18.6-175.0-136.5 110.6 -0.3 11.1 11.9 93 119 A V E +cd 60 132A 3 38,-2.5 40,-1.2 -2,-0.5 2,-0.4 -0.897 11.3 174.5 -97.7 129.5 0.7 14.2 9.9 94 120 A V E -cd 61 133A 1 -34,-2.3 -32,-1.8 -2,-0.5 2,-0.4 -0.962 15.3-160.1-138.1 122.2 -0.6 14.2 6.3 95 121 A V E -cd 62 134A 0 38,-2.1 40,-2.6 -2,-0.4 2,-0.5 -0.841 11.7-151.6 -96.4 136.8 -0.2 17.0 3.9 96 122 A V E +cd 63 135A 0 -34,-3.0 -32,-2.9 -2,-0.4 -31,-0.7 -0.949 23.2 161.1-112.8 127.6 -2.6 17.0 0.9 97 123 A G E - d 0 136A 0 38,-2.9 40,-2.9 -2,-0.5 2,-0.5 -0.775 39.6 -96.8-128.6 175.5 -1.6 18.6 -2.4 98 124 A G E - d 0 137A 1 38,-0.3 40,-0.2 -2,-0.2 5,-0.2 -0.868 55.7 -85.3 -99.4 128.0 -2.7 18.6 -6.1 99 125 A T > - 0 0 20 38,-1.9 3,-1.7 -2,-0.5 4,-0.3 0.053 40.2-141.8 -27.0 110.2 -0.8 16.3 -8.6 100 126 A P G > S+ 0 0 6 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.851 96.2 54.7 -56.6 -43.6 2.1 18.6 -9.6 101 127 A E G 3 S+ 0 0 128 1,-0.2 -2,-0.1 8,-0.1 8,-0.1 0.598 110.3 49.6 -59.2 -13.1 2.2 17.5 -13.4 102 128 A A G < S+ 0 0 48 -3,-1.7 -1,-0.2 -4,-0.1 -3,-0.1 0.380 82.7 131.4-116.7 0.7 -1.5 18.5 -13.6 103 129 A A < - 0 0 23 -3,-1.4 3,-0.0 -4,-0.3 -35,-0.0 -0.053 64.4-122.8 -54.7 156.7 -1.3 22.0 -12.0 104 130 A A S S+ 0 0 96 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.618 92.5 21.4 -81.0 -16.2 -2.9 25.0 -13.6 105 131 A S S > S- 0 0 52 1,-0.2 4,-2.5 -37,-0.1 5,-0.1 -0.986 73.1-121.5-144.0 157.4 0.5 27.0 -13.7 106 132 A T H > S+ 0 0 58 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.983 118.7 58.2 -58.4 -49.8 4.1 26.2 -13.7 107 133 A N H > S+ 0 0 42 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.853 107.6 44.6 -40.0 -50.5 4.1 28.4 -10.6 108 134 A E H > S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.947 110.9 55.9 -61.9 -45.3 1.5 26.1 -8.9 109 135 A R H X S+ 0 0 53 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.885 103.1 53.4 -57.2 -43.0 3.5 23.1 -10.0 110 136 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.884 111.8 45.1 -62.0 -40.8 6.7 24.3 -8.3 111 137 A A H X S+ 0 0 0 -4,-1.4 4,-0.9 -3,-0.3 -2,-0.2 0.957 114.2 47.1 -68.1 -49.6 5.0 24.7 -4.9 112 138 A Q H >< S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.898 113.3 50.2 -61.2 -37.3 3.1 21.4 -5.0 113 139 A R H >< S+ 0 0 35 -4,-2.8 3,-1.5 -5,-0.3 4,-0.3 0.930 103.3 59.3 -62.1 -43.9 6.3 19.6 -6.1 114 140 A A H >X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.3 3,-0.8 0.658 83.5 85.8 -64.3 -18.1 8.3 21.1 -3.3 115 141 A L H S+ 0 0 27 -3,-1.5 4,-3.2 -4,-0.3 5,-0.4 0.887 97.5 56.6 -62.3 -40.1 7.8 16.3 -0.7 117 143 A G H <> S+ 0 0 0 -3,-0.8 4,-1.9 -4,-0.3 648,-0.3 0.942 111.3 46.0 -50.6 -50.6 11.0 18.0 0.6 118 144 A F H X S+ 0 0 1 -4,-1.1 4,-3.2 646,-0.2 -2,-0.2 0.939 115.2 43.6 -57.1 -56.1 8.8 19.3 3.5 119 145 A T H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.935 113.7 48.9 -61.3 -48.0 7.1 16.0 4.3 120 146 A R H X S+ 0 0 14 -4,-3.2 4,-0.6 -5,-0.2 -1,-0.2 0.884 115.7 46.8 -62.0 -35.6 10.2 13.8 4.1 121 147 A S H >< S+ 0 0 0 -4,-1.9 3,-1.5 -5,-0.4 4,-0.3 0.945 110.1 50.7 -68.4 -50.2 12.0 16.3 6.3 122 148 A L H >X S+ 0 0 1 -4,-3.2 3,-2.8 1,-0.3 4,-1.3 0.905 101.6 63.3 -54.2 -41.4 9.2 16.5 8.9 123 149 A G H 3< S+ 0 0 4 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.800 100.9 54.4 -51.6 -30.4 9.2 12.7 9.0 124 150 A K T << S+ 0 0 35 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.454 108.4 46.9 -83.4 -0.9 12.7 13.0 10.4 125 151 A E T <4 S+ 0 0 12 -3,-2.8 -2,-0.2 -4,-0.3 -1,-0.2 0.684 85.3 104.2-110.5 -22.4 11.7 15.4 13.2 126 152 A L < - 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