==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-MAR-10 3M1L . COMPND 2 MOLECULE: 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR D.DUTTA,S.BHATTACHARYYA,B.SAHA,A.K.DAS . 726 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 524 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 122 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 1 0.1 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 . 47 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.8 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 4 4 1 1 1 6 1 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 3 7 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 33 A T 0 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.9 53.6 98.2 9.4 2 34 A L - 0 0 23 1,-0.1 2,-0.5 337,-0.1 114,-0.1 -0.053 360.0-105.5 -68.2 149.0 54.0 94.3 9.0 3 35 A R - 0 0 58 145,-0.1 2,-0.2 113,-0.1 145,-0.1 -0.571 37.3-176.5 -75.9 120.0 55.2 92.4 5.9 4 36 A R - 0 0 72 -2,-0.5 142,-0.2 1,-0.1 2,-0.1 -0.685 37.1 -79.7-103.9 167.2 52.4 90.6 3.9 5 37 A Y + 0 0 51 140,-0.3 2,-0.3 -2,-0.2 -1,-0.1 -0.413 50.5 170.5 -74.0 140.9 53.0 88.4 0.9 6 38 A R > - 0 0 177 -2,-0.1 3,-1.5 1,-0.1 139,-0.1 -0.996 38.4 -68.5-145.0 141.5 53.6 89.7 -2.7 7 39 A A T 3 S- 0 0 67 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.456 104.0 -15.7 45.1-141.0 54.6 88.6 -6.2 8 40 A G T 3 S+ 0 0 77 2,-0.0 -1,-0.2 3,-0.0 161,-0.0 -0.411 94.6 131.9-102.5 50.5 58.2 87.4 -6.9 9 41 A E < - 0 0 80 -3,-1.5 -3,-0.1 -2,-0.2 -4,-0.0 -0.721 69.2 -94.3 -87.1 152.2 59.5 88.9 -3.7 10 42 A P - 0 0 91 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.382 29.0-121.9 -66.3 150.5 61.7 86.5 -1.7 11 43 A P S S+ 0 0 41 0, 0.0 2,-0.3 0, 0.0 134,-0.1 0.817 91.6 41.2 -60.9 -34.1 60.0 84.5 1.1 12 44 A L S S- 0 0 14 132,-0.1 2,-0.8 2,-0.1 34,-0.1 -0.861 79.4-122.5-119.8 158.3 62.2 85.8 3.9 13 45 A T S S- 0 0 51 -2,-0.3 2,-0.3 32,-0.3 63,-0.1 -0.181 91.3 -26.9 -81.9 39.2 63.7 89.2 4.8 14 46 A G S S- 0 0 35 -2,-0.8 23,-0.3 31,-0.1 30,-0.2 -0.925 102.0 -14.7 141.3-169.6 67.3 87.7 4.7 15 47 A S E -a 44 0A 14 28,-1.2 30,-4.4 -2,-0.3 31,-1.5 0.013 52.0-130.3 -69.7 176.1 69.1 84.4 5.1 16 48 A L E -ab 46 38A 0 21,-2.1 23,-1.5 29,-0.2 2,-0.5 -0.952 14.4-165.2-132.9 109.3 67.9 81.1 6.7 17 49 A L E -a 47 0A 22 29,-2.1 31,-2.8 -2,-0.4 2,-0.5 -0.834 3.6-171.5 -98.9 127.9 69.8 79.1 9.4 18 50 A I E +a 48 0A 5 -2,-0.5 31,-0.2 21,-0.3 2,-0.2 -0.956 21.4 151.7-117.6 116.5 68.7 75.5 10.1 19 51 A G E +a 49 0A 13 29,-3.3 31,-2.8 -2,-0.5 2,-0.1 -0.557 14.1 80.4-129.4-164.1 70.4 73.8 13.1 20 52 A G E -a 50 0A 33 29,-0.2 2,-0.3 -2,-0.2 31,-0.1 -0.224 67.3 -91.3 90.0 171.9 70.0 71.2 15.8 21 53 A A S S+ 0 0 70 29,-0.6 32,-1.5 -2,-0.1 2,-0.3 -0.775 72.0 78.8-115.0 163.0 70.5 67.4 15.6 22 54 A G S S- 0 0 39 -2,-0.3 4,-0.4 30,-0.2 28,-0.1 -0.835 90.7 -54.4 129.4-169.5 67.7 64.9 14.9 23 55 A R S S+ 0 0 85 -2,-0.3 -1,-0.1 1,-0.2 28,-0.0 0.473 120.7 54.2 -91.9 -1.8 65.8 63.5 11.9 24 56 A V S > S+ 0 0 0 59,-0.1 4,-2.8 2,-0.1 5,-0.3 0.811 85.4 74.9-104.0 -36.7 64.5 66.8 10.4 25 57 A V H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.845 101.6 40.2 -47.3 -48.5 67.6 69.0 9.9 26 58 A E H > S+ 0 0 133 -4,-0.4 4,-2.8 2,-0.2 5,-0.3 0.960 115.1 49.3 -71.2 -53.0 69.0 67.2 6.8 27 59 A P H > S+ 0 0 32 0, 0.0 4,-1.9 0, 0.0 -2,-0.2 0.914 116.2 45.0 -53.3 -40.5 65.7 66.6 5.0 28 60 A L H X S+ 0 0 7 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.889 109.9 53.5 -68.9 -42.4 64.8 70.3 5.5 29 61 A R H X S+ 0 0 68 -4,-2.1 4,-0.7 -5,-0.3 -1,-0.2 0.974 113.8 43.1 -57.2 -52.0 68.2 71.5 4.4 30 62 A A H < S+ 0 0 73 -4,-2.8 3,-0.4 1,-0.2 4,-0.3 0.858 116.9 47.9 -57.4 -37.1 67.8 69.5 1.2 31 63 A A H < S+ 0 0 38 -4,-1.9 3,-0.3 -5,-0.3 4,-0.3 0.877 117.2 37.9 -77.4 -33.7 64.2 70.5 0.7 32 64 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.347 89.3 96.1 -99.8 4.5 64.5 74.3 1.3 33 65 A E T < S+ 0 0 125 -4,-0.7 5,-0.4 -3,-0.4 -1,-0.2 0.818 81.1 49.0 -69.3 -34.9 67.8 74.9 -0.4 34 66 A K T 4 S+ 0 0 186 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.916 119.1 34.3 -75.3 -40.6 66.7 76.0 -3.8 35 67 A D T 4 S+ 0 0 71 -4,-0.3 2,-0.3 2,-0.0 -2,-0.2 0.667 113.8 58.6 -93.0 -18.5 64.1 78.6 -2.7 36 68 A Y S < S- 0 0 15 -4,-1.5 2,-1.7 -26,-0.1 -21,-0.1 -0.855 85.3-113.7-113.8 149.1 65.8 80.0 0.4 37 69 A D - 0 0 106 -2,-0.3 -21,-2.1 -23,-0.3 2,-0.1 -0.630 49.0-163.4 -77.3 91.3 69.2 81.7 1.0 38 70 A L B -b 16 0A 41 -2,-1.7 2,-0.2 -5,-0.4 -21,-0.2 -0.450 6.8-160.3 -81.7 149.0 70.5 78.8 3.1 39 71 A V 0 0 50 -23,-1.5 -21,-0.3 -2,-0.1 -1,-0.0 -0.658 360.0 360.0-122.9 172.4 73.5 79.1 5.5 40 72 A G 0 0 95 -2,-0.2 -23,-0.1 -23,-0.1 -2,-0.0 0.262 360.0 360.0-101.5 360.0 76.1 76.8 7.2 41 ! 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 42 81 A D 0 0 161 0, 0.0 2,-0.1 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 1.7 75.0 87.2 9.5 43 82 A S - 0 0 71 32,-0.0 -28,-1.2 0, 0.0 2,-0.2 -0.569 360.0-147.9-159.3 101.0 71.5 88.9 9.3 44 83 A F E +ac 15 74A 15 29,-1.4 31,-3.7 26,-0.2 -28,-0.2 -0.472 32.3 177.8 -93.5 139.7 68.7 86.3 9.5 45 84 A G E S+ 0 0 0 -30,-4.4 34,-1.4 1,-0.3 2,-0.3 0.627 81.8 18.7 -99.2 -21.8 65.3 86.0 8.0 46 85 A G E -ac 16 79A 0 -31,-1.5 -29,-2.1 32,-0.2 2,-0.4 -0.997 57.1-163.0-149.1 143.9 64.6 82.6 9.6 47 86 A L E -ac 17 80A 0 32,-2.7 34,-3.1 -2,-0.3 2,-0.5 -0.981 12.8-177.1-130.0 121.4 65.8 80.4 12.4 48 87 A V E -ac 18 81A 0 -31,-2.8 -29,-3.3 -2,-0.4 2,-0.5 -0.969 3.4-172.2-121.8 123.3 65.0 76.7 12.5 49 88 A F E -ac 19 82A 11 32,-2.7 34,-2.4 -2,-0.5 2,-0.9 -0.966 17.0-144.3-118.0 125.8 66.0 74.4 15.2 50 89 A D E +ac 20 83A 1 -31,-2.8 -29,-0.6 -2,-0.5 3,-0.3 -0.744 21.7 174.5 -85.7 109.1 65.5 70.7 15.0 51 90 A A > + 0 0 0 32,-2.9 3,-1.6 -2,-0.9 34,-0.2 0.278 49.2 102.9 -96.7 16.6 64.6 69.5 18.4 52 91 A T T 3 S+ 0 0 13 31,-0.4 -30,-0.2 1,-0.3 -1,-0.2 0.811 74.4 60.2 -76.4 -26.7 63.8 65.9 17.5 53 92 A G T 3 S+ 0 0 40 -32,-1.5 2,-0.9 -3,-0.3 -1,-0.3 0.512 76.5 103.9 -75.2 -4.5 67.1 64.6 18.8 54 93 A I < + 0 0 15 -3,-1.6 45,-0.1 -33,-0.2 44,-0.1 -0.703 38.9 165.8 -83.0 110.5 66.4 65.9 22.4 55 94 A T + 0 0 63 -2,-0.9 -1,-0.2 1,-0.1 42,-0.1 0.416 58.1 38.2-105.1 -1.8 65.5 62.7 24.2 56 95 A E S > S- 0 0 96 39,-0.1 3,-1.5 1,-0.1 4,-0.4 -0.997 80.2-114.2-146.2 153.2 65.7 63.9 27.8 57 96 A P G > S+ 0 0 4 0, 0.0 3,-2.8 0, 0.0 4,-0.2 0.902 115.0 62.5 -51.9 -42.4 64.9 67.0 29.8 58 97 A A G > S+ 0 0 52 1,-0.3 3,-1.2 2,-0.1 4,-0.1 0.840 95.8 62.5 -51.9 -34.5 68.7 67.6 30.5 59 98 A G G X S+ 0 0 27 -3,-1.5 3,-2.4 1,-0.2 -1,-0.3 0.618 74.1 93.1 -67.1 -11.5 69.1 68.0 26.6 60 99 A L G X> + 0 0 0 -3,-2.8 3,-1.6 -4,-0.4 4,-0.7 0.709 67.2 76.8 -56.7 -19.8 66.8 71.0 26.6 61 100 A K H <> S+ 0 0 90 -3,-1.2 4,-3.1 1,-0.3 -1,-0.3 0.773 75.4 78.8 -63.3 -24.5 70.0 73.2 26.9 62 101 A G H <> S+ 0 0 18 -3,-2.4 4,-1.6 1,-0.2 -1,-0.3 0.847 90.3 53.6 -44.7 -40.9 70.4 72.5 23.2 63 102 A L H <> S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.3 5,-0.3 0.923 109.9 45.4 -63.4 -46.0 67.8 75.2 22.7 64 103 A H H X S+ 0 0 63 -4,-0.7 4,-2.2 1,-0.2 -2,-0.2 0.952 112.2 51.8 -63.8 -51.1 69.6 77.7 24.7 65 104 A E H < S+ 0 0 114 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.760 113.9 43.7 -56.4 -33.0 73.0 76.8 23.0 66 105 A F H < S+ 0 0 32 -4,-1.6 4,-0.3 -5,-0.3 -1,-0.2 0.944 120.2 35.3 -79.2 -45.3 71.5 77.2 19.5 67 106 A F H >X S+ 0 0 3 -4,-2.2 4,-3.0 1,-0.2 3,-1.7 0.842 100.3 71.9 -83.6 -39.5 69.5 80.4 19.9 68 107 A T T 3< S+ 0 0 64 -4,-2.2 4,-0.4 -5,-0.3 -1,-0.2 0.846 100.8 44.8 -48.6 -45.5 71.5 82.6 22.2 69 108 A P T 34 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.705 125.2 32.5 -74.4 -12.2 74.3 83.3 19.8 70 109 A V T X4 S+ 0 0 22 -3,-1.7 3,-1.3 -4,-0.3 4,-0.4 0.729 89.3 84.4-119.3 -26.1 72.0 84.1 16.9 71 110 A L G >< S+ 0 0 25 -4,-3.0 3,-2.1 1,-0.3 -3,-0.1 0.868 88.0 58.9 -45.8 -50.7 68.7 85.6 18.1 72 111 A R G 3 S+ 0 0 190 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.789 103.1 52.1 -53.5 -34.9 70.0 89.2 18.2 73 112 A N G < S+ 0 0 61 -3,-1.3 -29,-1.4 -4,-0.1 2,-0.3 0.426 82.3 117.9 -84.8 0.3 71.0 89.1 14.4 74 113 A L E < -c 44 0A 4 -3,-2.1 40,-0.2 -4,-0.4 -29,-0.2 -0.572 63.8-126.9 -68.8 127.3 67.4 87.9 13.5 75 114 A G E > - 0 0 6 -31,-3.7 3,-1.2 -2,-0.3 39,-0.2 0.072 29.4 -73.0 -70.2 174.8 65.7 90.6 11.3 76 115 A R E 3 S+ 0 0 136 1,-0.3 40,-0.2 -63,-0.1 -1,-0.2 -0.510 122.8 16.2 -66.2 142.3 62.4 92.5 11.4 77 116 A C E 3 S+ 0 0 10 38,-1.7 -1,-0.3 -2,-0.2 -64,-0.3 0.800 99.2 164.7 57.8 34.0 59.5 90.3 10.6 78 117 A G E < - 0 0 0 -3,-1.2 40,-2.5 37,-0.2 2,-0.4 -0.190 31.5-130.4 -73.4 165.0 61.8 87.3 11.2 79 118 A R E -cd 46 118A 7 -34,-1.4 -32,-2.7 38,-0.2 2,-0.4 -0.986 17.9-175.5-123.6 134.1 60.8 83.7 11.7 80 119 A V E +cd 47 119A 1 38,-1.9 40,-1.0 -2,-0.4 2,-0.4 -0.994 10.1 178.7-119.8 130.0 61.8 81.2 14.4 81 120 A V E -cd 48 120A 1 -34,-3.1 -32,-2.7 -2,-0.4 2,-0.5 -0.998 13.6-165.2-132.9 129.1 60.6 77.6 14.2 82 121 A V E -cd 49 121A 0 38,-2.5 40,-2.4 -2,-0.4 2,-0.5 -0.956 12.7-157.0-106.2 134.1 61.4 74.7 16.6 83 122 A V E +cd 50 122A 0 -34,-2.4 -32,-2.9 -2,-0.5 -31,-0.4 -0.971 21.4 162.7-113.6 120.7 60.5 71.3 15.2 84 123 A G E - d 0 123A 0 38,-2.7 40,-2.4 -2,-0.5 2,-0.4 -0.648 38.7 -95.5-123.0-176.6 59.9 68.4 17.7 85 124 A G E - d 0 124A 5 38,-0.3 40,-0.2 -34,-0.2 5,-0.1 -0.884 53.6 -85.7-104.9 136.6 58.3 65.0 17.7 86 125 A T > - 0 0 23 38,-0.8 3,-1.9 -2,-0.4 4,-0.2 -0.061 38.4-146.6 -34.6 109.8 54.7 64.4 18.9 87 126 A P G > S+ 0 0 1 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.903 94.0 61.0 -57.8 -43.1 55.1 64.1 22.6 88 127 A E G 3 S+ 0 0 122 1,-0.3 -2,-0.1 8,-0.1 8,-0.1 0.680 109.7 46.8 -48.6 -21.0 52.2 61.5 23.1 89 128 A A G < S+ 0 0 50 -3,-1.9 -1,-0.3 -4,-0.1 -3,-0.1 0.307 81.1 131.5-112.3 11.9 54.2 59.3 20.8 90 129 A A < - 0 0 24 -3,-2.3 6,-0.1 -4,-0.2 -35,-0.0 -0.196 61.5-126.0 -63.9 158.2 57.7 59.5 22.2 91 130 A A S S+ 0 0 95 2,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.590 90.5 24.7 -81.9 -12.5 59.7 56.4 22.9 92 131 A S S > S- 0 0 55 1,-0.1 4,-1.8 -37,-0.0 3,-0.2 -0.967 77.2-118.5-144.6 161.7 60.3 57.1 26.5 93 132 A T H > S+ 0 0 62 -2,-0.3 4,-1.5 1,-0.2 5,-0.2 0.829 116.5 60.2 -70.8 -28.0 58.7 59.2 29.2 94 133 A N H > S+ 0 0 44 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.856 106.0 46.3 -62.7 -35.3 61.9 61.2 29.3 95 134 A E H > S+ 0 0 33 -3,-0.2 4,-1.9 2,-0.2 5,-0.2 0.879 107.8 55.4 -77.8 -38.5 61.4 62.1 25.7 96 135 A R H X S+ 0 0 53 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.845 108.2 50.7 -58.7 -35.8 57.8 63.0 26.1 97 136 A I H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 583,-0.2 0.905 111.2 46.2 -71.2 -43.6 58.7 65.5 28.8 98 137 A A H X S+ 0 0 0 -4,-1.3 4,-0.8 2,-0.2 -2,-0.2 0.854 113.6 47.4 -70.4 -36.4 61.3 67.2 26.8 99 138 A Q H < S+ 0 0 0 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.769 112.3 50.5 -75.9 -28.3 59.3 67.5 23.7 100 139 A R H >< S+ 0 0 38 -4,-1.4 3,-1.3 -5,-0.2 4,-0.5 0.861 102.3 60.7 -70.9 -39.8 56.4 68.8 25.7 101 140 A A H >X S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 4,-1.1 0.802 87.3 77.6 -58.8 -27.5 58.6 71.3 27.3 102 141 A L H 3X S+ 0 0 0 -4,-0.8 4,-2.5 1,-0.3 5,-0.3 0.827 84.3 63.2 -49.0 -36.9 59.3 72.8 23.8 103 142 A E H <> S+ 0 0 45 -3,-1.3 4,-1.5 -4,-0.3 -1,-0.3 0.880 99.8 51.8 -62.8 -39.3 56.0 74.5 23.8 104 143 A G H <> S+ 0 0 12 -3,-1.2 4,-0.9 -4,-0.5 569,-0.3 0.887 110.8 49.3 -61.3 -39.0 57.0 76.7 26.8 105 144 A F H >X S+ 0 0 4 -4,-1.1 4,-1.9 1,-0.2 3,-1.3 0.988 111.2 44.7 -71.3 -55.7 60.2 77.7 25.1 106 145 A T H 3X S+ 0 0 0 -4,-2.5 4,-0.6 1,-0.3 -1,-0.2 0.837 112.7 53.5 -59.5 -29.1 58.8 78.8 21.7 107 146 A R H 3< S+ 0 0 88 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.680 114.5 38.8 -82.2 -16.9 55.9 80.7 23.4 108 147 A S H X< S+ 0 0 8 -3,-1.3 3,-1.2 -4,-0.9 -1,-0.2 0.648 99.8 73.6-102.7 -17.3 58.0 82.8 25.7 109 148 A L H >< S+ 0 0 1 -4,-1.9 3,-2.3 1,-0.2 4,-0.4 0.839 82.1 73.5 -64.7 -29.8 60.9 83.5 23.2 110 149 A G G >< S+ 0 0 23 -4,-0.6 3,-1.1 1,-0.3 -1,-0.2 0.746 83.7 66.3 -56.2 -29.8 58.6 85.9 21.3 111 150 A K G < S+ 0 0 151 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.543 100.7 51.0 -71.1 -6.8 58.9 88.5 24.0 112 151 A E G < S+ 0 0 107 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.473 94.3 99.5-104.9 -7.3 62.6 88.8 23.2 113 152 A L S < S- 0 0 29 -3,-1.1 3,-0.1 -4,-0.4 -41,-0.1 -0.405 75.5-101.5 -90.3 158.0 62.2 89.4 19.5 114 153 A R > - 0 0 136 -40,-0.2 3,-2.0 -39,-0.2 -1,-0.1 -0.194 62.9 -62.8 -66.0 164.4 62.2 92.4 17.2 115 154 A R T 3 S+ 0 0 166 1,-0.3 -38,-1.7 -39,-0.1 -37,-0.2 -0.171 120.7 7.4 -56.6 134.3 58.9 93.9 15.9 116 155 A G T 3 S+ 0 0 17 1,-0.3 -1,-0.3 -40,-0.2 2,-0.2 0.412 92.1 133.0 79.3 -4.4 56.9 91.6 13.8 117 156 A A < - 0 0 9 -3,-2.0 2,-0.3 -40,-0.2 -1,-0.3 -0.572 38.2-160.4 -79.9 145.2 59.1 88.6 14.3 118 157 A T E -d 79 0A 9 -40,-2.5 -38,-1.9 -2,-0.2 2,-0.3 -0.822 12.7-149.4-126.2 162.2 57.3 85.3 15.1 119 158 A T E -d 80 0A 1 -2,-0.3 33,-2.5 -40,-0.2 34,-0.7 -0.934 15.1-177.5-129.1 157.8 57.9 81.9 16.7 120 159 A A E -de 81 153A 3 -40,-1.0 -38,-2.5 -2,-0.3 2,-0.5 -0.994 18.2-145.7-154.5 147.7 56.3 78.6 16.0 121 160 A L E -de 82 154A 0 32,-2.6 34,-2.8 -2,-0.3 2,-0.5 -0.980 15.5-171.6-121.7 127.2 56.4 75.0 17.2 122 161 A V E -de 83 155A 0 -40,-2.4 -38,-2.7 -2,-0.5 2,-0.4 -0.986 5.5-161.1-121.6 120.0 55.9 72.1 14.8 123 162 A Y E -de 84 156A 15 32,-3.2 34,-3.5 -2,-0.5 2,-0.4 -0.891 7.8-162.8 -95.5 135.5 55.5 68.5 16.0 124 163 A L E -de 85 157A 2 -40,-2.4 -38,-0.8 -2,-0.4 34,-0.2 -0.973 27.4-105.4-120.4 131.7 56.1 65.7 13.5 125 164 A S > - 0 0 16 32,-1.8 3,-1.1 -2,-0.4 33,-0.0 -0.122 19.9-134.2 -47.4 139.0 55.0 62.1 13.9 126 165 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.2 0, 0.0 32,-0.1 0.686 107.7 61.5 -70.0 -13.3 57.8 59.8 14.8 127 166 A D T 3 S+ 0 0 131 2,-0.0 -2,-0.1 3,-0.0 2,-0.1 0.406 75.2 115.3 -90.1 -7.2 56.3 57.5 12.1 128 167 A A S < S- 0 0 15 -3,-1.1 32,-0.1 29,-0.1 31,-0.1 -0.429 78.3-104.0 -60.2 145.2 56.8 60.1 9.3 129 168 A K > - 0 0 111 30,-0.6 3,-2.4 1,-0.1 5,-0.1 -0.299 34.0 -98.8 -77.6 161.0 59.2 58.7 6.8 130 169 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.755 119.1 61.6 -60.3 -28.2 62.8 60.0 6.8 131 170 A A T 3 S- 0 0 69 1,-0.1 -100,-0.1 -104,-0.1 -2,-0.0 0.658 90.7-149.8 -66.1 -16.4 62.3 62.5 3.8 132 171 A A X + 0 0 14 -3,-2.4 3,-1.0 1,-0.1 4,-0.4 0.854 36.3 158.3 47.8 46.2 59.7 64.3 6.0 133 172 A T G > + 0 0 46 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.804 63.9 65.9 -65.4 -26.8 57.6 65.5 2.9 134 173 A G G 3 S+ 0 0 5 1,-0.3 225,-0.3 26,-0.3 4,-0.3 0.596 97.4 56.3 -77.6 -7.0 54.5 65.9 5.0 135 174 A L G <> S+ 0 0 0 -3,-1.0 4,-2.0 1,-0.1 -1,-0.3 0.614 83.5 86.0 -94.3 -21.9 56.2 68.7 6.9 136 175 A E H <> S+ 0 0 23 -3,-1.2 4,-2.5 -4,-0.4 5,-0.2 0.842 84.0 51.7 -59.2 -43.1 57.0 70.9 3.9 137 176 A S H > S+ 0 0 5 219,-0.6 4,-2.2 -4,-0.4 -1,-0.2 0.930 111.1 50.7 -65.5 -37.8 53.8 72.9 3.4 138 177 A T H > S+ 0 0 0 -4,-0.3 4,-2.9 218,-0.2 -1,-0.2 0.946 110.9 47.1 -62.1 -48.7 53.9 73.9 7.1 139 178 A M H X S+ 0 0 0 -4,-2.0 4,-3.4 2,-0.2 -1,-0.2 0.904 112.9 49.1 -57.9 -43.7 57.6 75.1 6.9 140 179 A R H < S+ 0 0 32 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.866 112.0 48.4 -66.7 -34.1 56.9 77.0 3.8 141 180 A F H < S+ 0 0 13 -4,-2.2 6,-0.5 -5,-0.2 3,-0.4 0.943 116.3 43.1 -69.7 -44.6 53.9 78.7 5.3 142 181 A L H < S+ 0 0 4 -4,-2.9 2,-1.6 1,-0.3 -2,-0.2 0.945 110.6 56.1 -69.7 -43.2 55.8 79.5 8.4 143 182 A L S < S+ 0 0 0 -4,-3.4 2,-0.3 -5,-0.2 -1,-0.3 -0.482 102.7 64.5 -88.7 65.7 58.9 80.7 6.6 144 183 A S S > S- 0 0 10 -2,-1.6 3,-0.8 -3,-0.4 -132,-0.1 -0.941 93.6 -99.8-168.9 169.9 57.2 83.3 4.4 145 184 A A G > S+ 0 0 6 -2,-0.3 3,-1.8 1,-0.2 -140,-0.3 0.639 105.5 83.1 -75.7 -14.9 55.3 86.6 4.8 146 185 A K G 3 S+ 0 0 27 1,-0.3 3,-0.3 -142,-0.2 -1,-0.2 0.802 88.5 52.8 -59.5 -26.3 52.0 84.7 4.5 147 186 A S G X + 0 0 0 -3,-0.8 3,-1.9 -6,-0.5 -1,-0.3 0.017 69.6 136.9-102.8 24.6 52.1 83.8 8.1 148 187 A A T < S+ 0 0 4 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.765 77.2 31.7 -39.2 -40.9 52.6 87.4 9.3 149 188 A Y T 3 S+ 0 0 34 -3,-0.3 219,-2.1 195,-0.1 2,-0.6 -0.029 90.1 101.8-117.3 30.5 50.1 87.2 12.2 150 189 A V < + 0 0 3 -3,-1.9 2,-0.4 217,-0.2 217,-0.1 -0.982 50.9 161.5-115.0 113.3 50.4 83.6 13.3 151 190 A D + 0 0 72 -2,-0.6 -31,-0.2 215,-0.4 215,-0.1 -1.000 50.9 7.2-145.5 135.8 52.5 83.6 16.3 152 191 A G S S+ 0 0 10 -33,-2.5 -32,-0.2 -2,-0.4 2,-0.2 0.758 88.9 146.4 69.3 23.9 53.3 81.3 19.2 153 192 A Q E -e 120 0A 9 -34,-0.7 -32,-2.6 -47,-0.1 2,-0.4 -0.536 44.4-136.4 -97.1 164.7 51.2 78.6 17.6 154 193 A V E -e 121 0A 32 210,-0.2 2,-0.4 -34,-0.2 -32,-0.2 -0.976 15.6-163.9-121.3 129.3 51.7 74.8 17.7 155 194 A F E -e 122 0A 1 -34,-2.8 -32,-3.2 -2,-0.4 2,-0.7 -0.945 6.0-153.4-117.8 130.4 51.2 72.7 14.5 156 195 A S E -e 123 0A 49 -2,-0.4 205,-0.6 -34,-0.2 2,-0.5 -0.865 12.0-174.9-111.4 107.2 50.8 69.0 14.6 157 196 A V E -eF 124 360A 0 -34,-3.5 -32,-1.8 -2,-0.7 -71,-0.2 -0.861 10.1-156.2 -99.3 131.5 51.9 67.1 11.5 158 197 A G - 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