==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-MAR-09 3GNS . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.PRIYADARSHI,K.Y.HWANG . 221 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11703.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 14.9 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 . 1 0.5 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 . 27 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 0 0 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 1 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 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 -3 A L 0 0 225 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -84.8 2.0 -1.4 -42.2 2 -2 A A + 0 0 71 1,-0.1 3,-0.3 2,-0.0 0, 0.0 -0.002 360.0 109.1-112.2 23.5 3.3 -4.4 -40.1 3 -1 A A + 0 0 62 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 -0.346 36.6 117.6 -97.8 33.5 1.9 -2.9 -36.9 4 0 A A > + 0 0 71 1,-0.1 3,-0.8 2,-0.1 -1,-0.2 -0.105 46.1 96.3 -44.6 -8.3 -0.5 -5.8 -37.2 5 1 A M T 3 S+ 0 0 124 -3,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.340 75.0 61.4 -71.3 7.9 1.2 -6.8 -33.9 6 2 A L T 3 S- 0 0 39 1,-0.4 198,-3.7 198,-0.1 199,-0.2 0.659 89.3-161.8 -89.8 -17.9 -1.7 -5.1 -32.4 7 3 A N < + 0 0 54 -3,-0.8 -1,-0.4 196,-0.2 3,-0.1 -0.561 52.0 117.8 50.1-136.3 -4.2 -7.6 -33.9 8 4 A L + 0 0 0 1,-0.2 2,-1.0 -2,-0.2 -1,-0.1 0.201 35.3 116.9 63.3 -13.9 -7.3 -5.6 -33.6 9 5 A E S S- 0 0 138 1,-0.2 -1,-0.2 28,-0.1 28,-0.2 -0.781 95.5 -5.2 -80.2 109.8 -7.9 -5.4 -37.3 10 6 A N S S+ 0 0 86 26,-2.2 -1,-0.2 -2,-1.0 27,-0.1 0.112 98.0 126.4 101.7 -11.9 -11.2 -7.3 -37.6 11 7 A K - 0 0 64 1,-0.1 27,-0.6 26,-0.1 2,-0.4 -0.245 58.2-122.1 -81.7 166.9 -11.7 -8.5 -34.1 12 8 A T E -a 38 0A 28 25,-0.2 80,-2.6 78,-0.1 81,-1.3 -0.945 25.9-168.4-121.3 126.0 -15.0 -7.6 -32.6 13 9 A Y E -ab 39 93A 4 25,-1.6 27,-2.7 -2,-0.4 2,-1.0 -0.944 21.0-137.4-116.9 143.8 -15.5 -5.7 -29.4 14 10 A V E -ab 40 94A 0 79,-2.4 81,-1.3 -2,-0.5 2,-0.8 -0.751 22.8-164.8 -88.6 116.3 -18.3 -5.1 -27.3 15 11 A I E -ab 41 95A 0 25,-2.5 27,-2.2 -2,-1.0 2,-0.3 -0.794 10.4-171.0 -99.8 111.3 -18.3 -1.4 -26.2 16 12 A M E +a 42 0A 4 79,-1.8 81,-0.3 -2,-0.8 27,-0.1 -0.702 53.0 25.1 -98.4 149.6 -20.5 -0.5 -23.3 17 13 A G + 0 0 26 25,-2.3 2,-0.8 -2,-0.3 8,-0.5 0.926 57.7 154.8 79.6 47.8 -21.7 2.7 -21.7 18 14 A I + 0 0 6 24,-1.0 -1,-0.2 -3,-0.2 5,-0.1 -0.423 15.4 169.9-117.4 56.7 -21.3 5.0 -24.5 19 15 A A - 0 0 67 -2,-0.8 -1,-0.2 -3,-0.1 32,-0.1 0.723 55.9 -18.7 -41.2 -61.1 -23.9 7.4 -23.2 20 16 A N S S- 0 0 38 31,-0.1 3,-0.1 32,-0.0 6,-0.0 -0.224 89.6 -70.9-129.5-139.2 -23.7 10.7 -25.4 21 17 A K S S+ 0 0 119 1,-0.2 -2,-0.0 -2,-0.1 -3,-0.0 0.399 127.4 50.9-109.5 -1.7 -20.9 12.1 -27.8 22 18 A R S S+ 0 0 130 169,-0.0 -1,-0.2 4,-0.0 5,-0.1 0.406 79.7 125.5-112.4 2.6 -18.4 13.1 -25.2 23 19 A S >> - 0 0 15 1,-0.2 3,-1.1 -5,-0.1 4,-0.7 -0.312 66.3-129.5 -66.0 141.9 -18.5 9.7 -23.4 24 20 A I H >> S+ 0 0 17 1,-0.3 4,-2.5 2,-0.3 3,-1.3 0.814 109.1 63.4 -57.1 -34.9 -15.2 8.2 -23.0 25 21 A A H 3> S+ 0 0 0 -8,-0.5 4,-2.3 1,-0.3 -1,-0.3 0.729 98.6 61.0 -65.6 -24.4 -16.4 4.9 -24.4 26 22 A F H <> S+ 0 0 5 -3,-1.1 4,-1.5 2,-0.2 -1,-0.3 0.819 102.6 46.0 -71.3 -28.4 -16.9 7.1 -27.3 27 23 A G H <>S+ 0 0 0 -4,-2.1 3,-1.6 -5,-0.3 5,-1.2 0.936 112.6 49.6 -45.6 -67.8 -10.8 1.3 -32.0 33 29 A D H ><5S+ 0 0 18 -4,-4.6 3,-1.4 1,-0.3 -1,-0.2 0.867 110.1 52.1 -41.9 -47.1 -13.0 2.1 -35.2 34 30 A Q H 3<5S+ 0 0 170 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.881 105.3 57.1 -55.4 -41.8 -10.1 3.8 -36.7 35 31 A L T <<5S- 0 0 66 -4,-1.8 -1,-0.2 -3,-1.6 -2,-0.2 0.379 123.1 -94.7 -76.6 4.4 -7.9 0.7 -35.9 36 32 A G T < 5S+ 0 0 25 -3,-1.4 -26,-2.2 -4,-0.4 2,-0.8 0.496 73.1 146.9 99.8 2.8 -10.0 -1.8 -37.9 37 33 A A < - 0 0 0 -5,-1.2 -1,-0.2 -28,-0.2 -25,-0.2 -0.619 44.0-139.6 -90.3 117.2 -12.1 -3.2 -35.1 38 34 A K E -a 12 0A 81 -2,-0.8 -25,-1.6 -27,-0.6 2,-0.3 -0.321 36.0-159.3 -44.4 146.4 -15.9 -4.4 -35.8 39 35 A L E -a 13 0A 1 -27,-0.3 26,-0.5 24,-0.2 2,-0.3 -0.991 21.0-157.1-142.2 155.0 -17.7 -3.2 -32.8 40 36 A V E -a 14 0A 1 -27,-2.7 -25,-2.5 -2,-0.3 2,-0.4 -0.758 21.0-135.0-132.8 169.6 -20.9 -3.9 -31.0 41 37 A F E -ac 15 66A 6 24,-1.2 26,-2.6 -2,-0.3 2,-0.7 -0.957 11.7-157.5-147.7 118.1 -22.7 -1.6 -28.7 42 38 A T E -ac 16 67A 4 -27,-2.2 -25,-2.3 -2,-0.4 -24,-1.0 -0.862 5.6-174.4-114.5 123.8 -24.4 -1.4 -25.5 43 39 A Y E - c 0 68A 28 24,-1.3 26,-4.1 -2,-0.7 3,-0.1 -0.876 10.2-160.2 -97.9 132.7 -26.9 1.1 -24.6 44 40 A R + 0 0 94 -2,-0.4 2,-0.3 24,-0.3 28,-0.1 0.652 67.8 16.1 -95.6 -21.8 -28.0 1.0 -21.0 45 41 A K S S- 0 0 102 1,-0.1 3,-0.5 -26,-0.1 -1,-0.3 -0.895 91.5 -61.6-167.4 119.3 -31.3 2.8 -21.2 46 42 A E S > S+ 0 0 118 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.012 98.1 11.3 74.1-159.3 -34.1 4.1 -23.7 47 43 A R T 3 S+ 0 0 190 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.711 92.5 89.8 19.5 -90.0 -33.7 6.5 -26.5 48 44 A S T >> + 0 0 19 -3,-0.5 4,-2.2 1,-0.4 3,-0.5 0.382 58.6 94.2 -49.4 -11.5 -30.0 7.1 -27.0 49 45 A R H <> S+ 0 0 76 -3,-0.7 4,-0.9 -2,-0.3 -1,-0.4 0.462 88.4 59.9 -52.0 1.2 -29.9 4.3 -29.5 50 46 A K H 3> S+ 0 0 131 2,-0.2 4,-2.1 -3,-0.1 3,-0.4 0.879 92.5 52.1 -93.7 -49.3 -30.4 7.4 -31.4 51 47 A E H <> S+ 0 0 87 -3,-0.5 4,-3.5 1,-0.3 -2,-0.2 0.915 118.2 51.4 -52.5 -31.4 -27.4 9.4 -30.5 52 48 A L H X S+ 0 0 7 -4,-2.2 4,-3.5 2,-0.3 -1,-0.3 0.757 99.6 50.1 -64.7 -53.1 -25.9 6.2 -31.6 53 49 A E H < S+ 0 0 75 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.741 124.5 42.6 -70.0 -13.6 -27.3 5.2 -35.0 54 50 A K H >< S+ 0 0 146 -4,-2.1 3,-3.0 2,-0.2 -2,-0.3 0.928 111.2 51.6 -83.9 -62.7 -26.2 8.7 -35.5 55 51 A L H >< S+ 0 0 5 -4,-3.5 3,-2.1 1,-0.3 4,-0.4 0.836 102.9 58.4 -44.0 -55.1 -23.0 8.5 -33.6 56 52 A L T 3< S+ 0 0 15 -4,-3.5 5,-0.4 1,-0.3 3,-0.4 0.606 84.8 83.4 -57.5 -14.7 -21.9 5.5 -35.6 57 53 A E T < S+ 0 0 150 -3,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.791 90.1 51.3 -63.9 -20.2 -22.3 7.7 -38.7 58 54 A Q S < S+ 0 0 98 -3,-2.1 2,-0.3 -4,-0.3 -1,-0.2 0.829 104.1 71.4 -79.5 -31.7 -18.8 9.0 -37.9 59 55 A L S S- 0 0 13 -4,-0.4 2,-1.7 -3,-0.4 -29,-0.0 -0.670 84.6-126.9 -81.3 140.3 -17.4 5.4 -37.7 60 56 A N + 0 0 137 -2,-0.3 -3,-0.1 2,-0.0 -2,-0.0 -0.617 53.0 148.8 -86.5 79.1 -17.0 3.1 -40.6 61 57 A Q - 0 0 18 -2,-1.7 -2,-0.1 -5,-0.4 -23,-0.0 -0.941 31.6-164.5-115.9 102.0 -19.0 0.2 -39.2 62 58 A P S S+ 0 0 114 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.586 76.8 45.5 -76.0 -11.7 -20.7 -1.7 -42.0 63 59 A E S S- 0 0 123 -24,-0.1 2,-0.8 2,-0.0 -24,-0.2 -0.988 78.4-144.8-126.9 163.3 -23.0 -3.4 -39.8 64 60 A A + 0 0 71 -2,-0.4 2,-0.6 2,-0.0 -24,-0.1 -0.858 21.1 174.5-132.2 96.0 -24.7 -1.8 -37.2 65 61 A H + 0 0 31 -2,-0.8 -24,-1.2 -26,-0.5 2,-0.4 -0.850 2.0 168.9-109.9 115.9 -25.4 -3.6 -33.9 66 62 A L E -c 41 0A 20 -2,-0.6 2,-0.4 -26,-0.1 -24,-0.2 -0.952 9.3-171.6-125.9 150.7 -26.9 -2.2 -30.8 67 63 A Y E -c 42 0A 31 -26,-2.6 -24,-1.3 -2,-0.4 2,-0.9 -0.983 23.6-133.7-138.9 119.9 -28.2 -3.8 -27.6 68 64 A Q E +c 43 0A 88 -2,-0.4 2,-0.6 -26,-0.2 -24,-0.3 -0.551 36.9 172.3 -67.9 112.0 -30.1 -2.3 -24.8 69 65 A I - 0 0 1 -26,-4.1 2,-1.5 -2,-0.9 3,-0.1 -0.931 28.6-161.3-124.2 116.3 -28.3 -3.6 -21.7 70 66 A D > - 0 0 32 -2,-0.6 3,-3.6 3,-0.2 7,-0.3 -0.716 6.8-166.7 -86.2 90.4 -29.0 -2.4 -18.4 71 67 A V T 3 S+ 0 0 30 -2,-1.5 -1,-0.2 1,-0.3 6,-0.1 0.744 88.6 67.6 -30.4 -36.7 -25.6 -3.6 -16.7 72 68 A Q T 3 S+ 0 0 96 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.783 99.2 55.6 -55.0 -25.4 -27.7 -2.8 -13.4 73 69 A S S <> S- 0 0 51 -3,-3.6 4,-1.2 1,-0.1 3,-0.4 -0.918 77.5-148.0-130.1 110.4 -30.0 -5.6 -14.3 74 70 A D H > S+ 0 0 47 -2,-0.5 4,-2.9 1,-0.3 5,-0.1 0.664 92.0 43.3 -60.6 -37.9 -28.8 -9.2 -14.8 75 71 A E H >>S+ 0 0 130 2,-0.2 4,-4.2 1,-0.2 5,-0.6 0.880 108.2 66.1 -80.7 -15.3 -30.8 -11.0 -17.3 76 72 A E H 45S+ 0 0 67 -3,-0.4 4,-0.3 1,-0.3 -2,-0.3 0.910 108.1 40.3 -61.9 -36.9 -30.5 -7.8 -19.1 77 73 A V H X5S+ 0 0 0 -4,-1.2 4,-2.6 -7,-0.3 -1,-0.3 0.939 114.0 51.3 -77.3 -39.4 -27.0 -8.7 -19.2 78 74 A I H X5S+ 0 0 43 -4,-2.9 4,-2.5 1,-0.3 5,-0.4 0.932 114.4 41.7 -61.2 -45.1 -27.4 -12.5 -19.9 79 75 A N H X5S+ 0 0 86 -4,-4.2 4,-0.6 2,-0.2 -1,-0.3 0.616 109.6 62.9 -83.4 -6.2 -29.8 -12.1 -22.8 80 76 A G H >S+ 0 0 0 -4,-3.1 4,-3.8 1,-0.3 5,-1.5 0.814 113.0 52.4 -66.9 -32.9 -25.1 -11.1 -29.3 85 81 A G H <5S+ 0 0 26 -4,-2.2 -1,-0.3 3,-0.2 -2,-0.2 0.837 114.2 44.6 -75.2 -35.9 -23.6 -14.5 -29.6 86 82 A K H <5S+ 0 0 150 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.992 118.3 42.1 -56.7 -65.8 -26.6 -15.5 -31.5 87 83 A D H <5S- 0 0 76 -4,-2.9 -2,-0.2 1,-0.1 -3,-0.2 0.930 139.7 -1.6 -53.6 -63.4 -26.7 -12.3 -33.6 88 84 A V T <5S- 0 0 60 -4,-3.8 2,-0.5 1,-0.2 -3,-0.2 0.647 90.4-138.3-114.8 -20.6 -22.9 -12.0 -34.4 89 85 A G < + 0 0 20 -5,-1.5 2,-0.4 -7,-0.1 -1,-0.2 -0.843 55.7 20.6 120.6-132.2 -21.0 -14.6 -32.7 90 86 A N - 0 0 102 -2,-0.5 2,-0.2 -4,-0.1 28,-0.2 -0.772 58.0-153.8 -91.9 139.5 -17.7 -14.7 -30.9 91 87 A I - 0 0 6 26,-0.6 30,-0.2 -2,-0.4 -78,-0.2 -0.614 14.0-152.9 -92.3 159.7 -16.1 -11.5 -29.4 92 88 A D S S- 0 0 38 -80,-2.6 31,-1.2 1,-0.4 2,-0.3 0.435 77.6 -27.0 -98.7 -14.5 -12.3 -10.8 -28.7 93 89 A G E -bd 13 123A 0 -81,-1.3 -79,-2.4 29,-0.2 -1,-0.4 -0.956 50.9-130.7-179.7 170.0 -13.1 -8.4 -25.9 94 90 A V E -bd 14 124A 1 29,-0.9 31,-1.1 -2,-0.3 2,-0.6 -0.994 16.5-142.3-128.3 126.8 -15.5 -6.0 -24.4 95 91 A Y E -bd 15 125A 0 -81,-1.3 -79,-1.8 -2,-0.4 2,-0.5 -0.739 26.1-152.1 -73.9 126.5 -14.6 -2.4 -23.1 96 92 A H E - d 0 126A 6 29,-3.2 31,-2.2 -2,-0.6 2,-1.6 -0.839 12.0-141.2-117.5 137.9 -16.7 -1.9 -20.0 97 93 A S 0 0 47 -2,-0.5 31,-0.1 -81,-0.3 29,-0.1 -0.476 360.0 360.0 -93.2 66.2 -17.9 1.6 -18.6 98 94 A I 0 0 44 -2,-1.6 31,-0.3 29,-0.5 30,-0.3 0.827 360.0 360.0 -86.2 360.0 -17.4 1.4 -14.7 99 ! 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 0.0 100 118 A Q 0 0 194 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.8 -21.0 -0.4 -3.2 101 119 A D > + 0 0 78 1,-0.2 4,-0.7 2,-0.2 5,-0.4 0.306 360.0 158.0 15.7 44.7 -20.4 -2.0 -6.6 102 120 A I T 4 S+ 0 0 122 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.608 97.6 4.7 -59.5 -6.7 -22.9 0.2 -8.3 103 121 A S T > S+ 0 0 28 3,-0.0 4,-0.9 2,-0.0 -1,-0.2 0.129 119.6 81.2 179.9 -26.0 -20.8 -0.8 -11.1 104 122 A S H >> S+ 0 0 15 2,-0.2 4,-2.0 3,-0.1 3,-0.7 0.946 97.9 44.5 -68.8 -61.0 -18.5 -3.3 -9.5 105 123 A Y H 3X S+ 0 0 116 -4,-0.7 4,-2.7 1,-0.3 5,-0.2 0.921 108.8 58.5 -48.1 -49.5 -21.0 -6.1 -9.7 106 124 A S H 3> S+ 0 0 4 -5,-0.4 4,-2.3 2,-0.2 5,-0.3 0.913 106.3 47.7 -44.9 -50.9 -21.9 -5.2 -13.2 107 125 A L H < S+ 0 0 22 -4,-3.0 3,-0.8 1,-0.2 4,-0.2 0.895 112.1 57.0 -49.1 -40.4 -21.4 -13.6 -19.4 114 132 A A H >< S+ 0 0 0 -4,-3.2 3,-2.6 1,-0.3 4,-0.3 0.853 94.3 63.5 -77.3 -28.3 -18.9 -12.3 -21.7 115 133 A K H >< S+ 0 0 66 -4,-2.0 3,-2.0 1,-0.3 -1,-0.3 0.817 84.2 73.0 -71.5 -25.3 -16.5 -15.2 -21.6 116 134 A K T << S+ 0 0 133 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.766 101.6 49.6 -59.0 -16.3 -18.9 -17.6 -23.0 117 135 A L T < S+ 0 0 8 -3,-2.6 -26,-0.6 -4,-0.2 -1,-0.3 0.488 97.3 67.5 -99.1 -1.9 -18.1 -15.6 -26.2 118 136 A M < + 0 0 5 -3,-2.0 -1,-0.2 -4,-0.3 4,-0.1 -0.634 56.0 158.8-114.9 80.3 -14.5 -15.7 -26.0 119 137 A P S S+ 0 0 65 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.692 82.5 36.4 -80.4 -20.9 -13.9 -19.4 -26.6 120 138 A E S S- 0 0 167 1,-0.4 2,-0.2 -3,-0.2 -2,-0.1 0.482 128.6 -99.4-105.0 -8.9 -10.2 -19.0 -27.7 121 139 A G - 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0 0 88 2,-0.2 3,-0.2 -2,-0.0 0, 0.0 0.808 25.9-152.5 35.7 178.3 -10.7 7.5 -0.8 136 161 A G S S+ 0 0 46 1,-1.8 4,-0.4 -2,-0.0 2,-0.3 0.127 77.6 100.3 -99.9 107.1 -9.2 5.9 -2.6 137 162 A V S S+ 0 0 96 2,-0.1 -1,-1.8 3,-0.1 3,-0.4 0.271 74.3 75.9 -21.4 171.9 -10.1 3.2 -1.3 138 163 A A S S+ 0 0 48 1,-0.5 -4,-0.0 -2,-0.3 0, 0.0 0.256 102.3 36.7 87.2 -29.7 -12.2 3.2 -4.3 139 164 A K S >> S+ 0 0 50 -2,-0.2 4,-1.2 3,-0.1 3,-0.8 0.206 113.2 59.4 -91.0 -65.8 -9.5 2.3 -6.6 140 165 A A H 3> S+ 0 0 56 -3,-0.4 4,-0.7 -4,-0.4 5,-0.1 0.752 114.7 39.7 -15.2 -55.8 -8.0 -0.1 -3.7 141 166 A S H >> S+ 0 0 61 2,-0.2 4,-1.8 3,-0.1 3,-1.1 0.963 119.6 45.6 -63.8 -53.2 -11.4 -1.8 -4.0 142 167 A L H <> S+ 0 0 9 -3,-0.8 4,-2.1 1,-0.3 3,-0.5 0.928 110.3 53.4 -54.2 -59.1 -11.4 -1.4 -7.9 143 168 A E H 3X S+ 0 0 73 -4,-1.2 4,-0.9 1,-0.3 -1,-0.3 0.669 112.6 46.0 -40.4 -28.8 -7.9 -2.6 -8.3 144 169 A A H X S+ 0 0 118 -4,-2.5 4,-2.4 1,-0.2 3,-0.8 0.913 112.1 44.6 -57.2 -44.5 -9.8 -11.2 -8.6 149 174 A L H 3X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.3 5,-0.3 0.883 102.9 63.8 -66.4 -41.0 -11.1 -11.5 -12.2 150 175 A A H 3< S+ 0 0 12 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.858 108.1 45.1 -35.1 -45.3 -7.6 -11.7 -13.6 151 176 A L H X< S+ 0 0 116 -4,-1.3 3,-1.4 -3,-0.8 -2,-0.2 0.972 111.8 50.6 -79.7 -58.6 -7.3 -15.0 -11.6 152 177 A D H 3< S+ 0 0 67 -4,-2.4 4,-0.3 1,-0.3 -2,-0.2 0.885 120.4 28.1 -44.1 -65.8 -10.5 -16.3 -12.6 153 178 A L T 3<>S+ 0 0 2 -4,-2.2 5,-2.5 1,-0.2 -1,-0.3 0.302 99.2 90.5 -85.0 8.1 -10.6 -16.0 -16.4 154 179 A G T X 5S+ 0 0 32 -3,-1.4 3,-3.0 -5,-0.3 -1,-0.2 0.964 82.6 55.4 -65.2 -53.7 -6.8 -16.2 -16.5 155 180 A P T 3 5S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.830 108.2 50.2 -37.3 -39.6 -7.0 -20.0 -16.9 156 181 A D T 3 5S- 0 0 90 -4,-0.3 -2,-0.2 2,-0.2 3,-0.1 0.234 117.5-113.3 -92.2 11.4 -9.3 -19.3 -19.9 157 182 A N T < 5S+ 0 0 104 -3,-3.0 -35,-1.4 1,-0.2 2,-0.6 0.847 71.6 136.9 64.6 34.2 -6.9 -16.9 -21.5 158 183 A I E < -e 122 0A 2 -5,-2.5 -35,-0.3 -37,-0.3 2,-0.3 -0.967 46.3-144.0-105.2 122.7 -9.1 -13.9 -21.1 159 184 A R E -e 123 0A 31 -37,-2.4 -35,-3.3 -2,-0.6 2,-0.5 -0.579 11.8-159.5 -82.4 144.9 -7.0 -10.9 -19.8 160 185 A V E +e 124 0A 2 -2,-0.3 51,-4.0 -37,-0.2 2,-0.3 -0.911 20.1 155.3-128.4 118.7 -8.6 -8.6 -17.5 161 186 A N E -e 125 0A 0 -37,-2.6 -35,-1.3 -2,-0.5 2,-0.4 -0.907 25.0-143.2-133.0 165.8 -7.4 -5.0 -16.8 162 187 A A E -ef 126 213A 0 50,-3.1 52,-2.0 -2,-0.3 2,-0.4 -0.938 4.7-152.1-121.3 151.5 -8.7 -1.4 -15.6 163 188 A I E -ef 127 214A 0 -37,-2.1 -35,-1.9 -2,-0.4 2,-0.6 -0.955 10.8-147.2-115.8 132.5 -7.9 2.0 -16.6 164 189 A S E -ef 128 215A 1 50,-3.4 52,-1.0 -2,-0.4 2,-0.5 -0.942 19.6-149.6-104.5 116.4 -8.3 4.7 -14.0 165 190 A A E -ef 129 216A 0 -37,-3.2 -35,-4.0 -2,-0.6 52,-0.2 -0.673 4.4-146.1 -87.7 110.8 -9.5 8.0 -15.9 166 191 A G - 0 0 4 50,-1.3 52,-0.1 -2,-0.5 -1,-0.1 -0.199 45.9 -59.4 -66.3 167.1 -8.5 11.4 -14.6 167 192 A P - 0 0 20 0, 0.0 22,-1.0 0, 0.0 2,-0.3 -0.239 51.7-164.5 -35.6 129.1 -10.7 14.5 -14.9 168 193 A I > - 0 0 4 -38,-0.3 3,-1.6 20,-0.2 22,-0.1 -0.999 13.4-142.6-134.1 123.7 -11.5 15.4 -18.5 169 194 A R T 3 S+ 0 0 107 -2,-0.3 -1,-0.1 20,-0.3 21,-0.1 0.910 92.5 55.1 -61.4 -42.1 -12.9 19.0 -19.2 170 195 A T T 3 0 0 80 1,-0.1 -1,-0.3 -148,-0.0 20,-0.0 0.313 360.0 360.0 -87.9 11.5 -15.4 18.4 -21.8 171 196 A L < 0 0 78 -3,-1.6 -2,-0.2 -148,-0.0 -1,-0.1 0.091 360.0 360.0-150.5 360.0 -17.2 15.9 -19.8 172 ! 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 0.0 173 205 A N 0 0 134 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -38.0 -14.5 21.5 -9.0 174 206 A T > + 0 0 102 1,-0.2 2,-1.4 2,-0.1 3,-1.1 0.486 360.0 101.2 -59.9 -3.5 -13.4 23.7 -11.9 175 207 A I T 3 + 0 0 118 1,-0.3 -1,-0.2 2,-0.2 0, 0.0 -0.696 42.8 86.5 -85.1 79.0 -10.8 23.0 -9.2 176 208 A L T 3> + 0 0 28 -2,-1.4 4,-2.4 2,-0.1 -1,-0.3 -0.210 61.8 89.2-164.3 -6.0 -9.2 20.4 -11.4 177 209 A K H <> S+ 0 0 91 -3,-1.1 4,-1.3 2,-0.2 -2,-0.2 0.618 79.0 68.9 -52.7 -23.4 -7.6 23.6 -12.5 178 210 A E H > S+ 0 0 104 2,-0.2 4,-0.9 1,-0.2 5,-0.2 0.959 101.0 37.0 -66.1 -50.2 -5.7 21.9 -9.6 179 211 A I H >> S+ 0 0 18 2,-0.3 4,-2.8 1,-0.2 3,-1.8 0.970 109.0 66.4 -64.1 -51.2 -4.4 18.9 -11.6 180 212 A E H 3< S+ 0 0 43 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.874 113.9 32.5 -34.7 -37.7 -4.0 21.3 -14.5 181 213 A E H 3< S+ 0 0 130 -4,-1.3 -1,-0.3 1,-0.1 -2,-0.3 0.584 128.5 30.8-110.8 -0.8 -1.5 22.7 -12.4 182 214 A R H << S+ 0 0 144 -3,-1.8 -3,-0.2 -4,-0.9 -2,-0.2 0.362 84.1 105.9-127.1 -11.7 0.1 19.9 -10.3 183 215 A A S >< S- 0 0 0 -4,-2.8 3,-3.3 -5,-0.2 36,-0.1 -0.635 84.1-115.3 -76.1 135.1 -0.2 16.9 -12.6 184 216 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.2 0, 0.0 35,-0.2 0.781 115.3 45.1 -44.4 -32.4 3.4 16.3 -13.9 185 217 A L T 3 S- 0 0 101 33,-1.3 34,-0.1 2,-0.2 3,-0.1 0.517 103.0-134.0 -99.4 1.1 2.3 17.1 -17.4 186 218 A K S < S+ 0 0 129 -3,-3.3 2,-0.3 -7,-0.2 -6,-0.1 0.890 71.8 74.9 65.8 42.0 0.4 20.0 -16.5 187 219 A R S S- 0 0 96 -8,-0.2 -2,-0.2 31,-0.1 2,-0.2 -0.950 76.1-101.7-167.4 162.9 -2.7 19.3 -18.5 188 220 A N - 0 0 30 -2,-0.3 2,-0.3 -3,-0.1 -20,-0.2 -0.494 28.6-117.5 -95.9 175.1 -5.8 17.0 -18.5 189 221 A V - 0 0 8 -22,-1.0 -20,-0.3 -2,-0.2 2,-0.2 -0.636 23.9-159.1 -96.7 151.7 -6.6 13.9 -20.4 190 222 A D - 0 0 65 -2,-0.3 4,-0.3 -22,-0.1 -24,-0.1 -0.582 34.8 -87.9-118.4-148.9 -9.3 13.3 -22.7 191 223 A Q S >> S+ 0 0 21 1,-0.2 4,-6.1 2,-0.2 3,-1.5 0.927 119.6 54.2 -84.1 -49.0 -11.2 10.4 -24.2 192 224 A V H 3> S+ 0 0 53 1,-0.3 4,-1.2 2,-0.3 -1,-0.2 0.888 108.3 49.4 -52.0 -45.2 -9.1 9.7 -27.1 193 225 A E H 3> S+ 0 0 55 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.572 115.4 47.8 -77.2 -7.2 -6.0 9.3 -24.8 194 226 A V H <> S+ 0 0 0 -3,-1.5 4,-2.0 -4,-0.3 3,-0.3 0.834 113.5 43.4 -93.8 -60.9 -8.1 7.1 -22.7 195 227 A G H X S+ 0 0 0 -4,-6.1 4,-1.6 1,-0.2 -2,-0.2 0.641 105.6 64.1 -64.4 -6.5 -9.3 5.0 -25.4 196 228 A K H X S+ 0 0 122 -4,-1.2 4,-2.1 -5,-0.3 -1,-0.2 0.920 106.7 43.9 -77.4 -45.7 -5.8 5.0 -26.9 197 229 A T H X S+ 0 0 28 -4,-0.7 4,-2.7 -3,-0.3 -2,-0.2 0.851 109.4 58.2 -57.2 -39.2 -4.7 3.0 -23.7 198 230 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.5 0.931 103.7 52.0 -54.3 -48.3 -7.9 0.9 -24.1 199 231 A A H X S+ 0 0 9 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.977 109.3 49.1 -59.1 -44.1 -6.6 0.0 -27.5 200 232 A Y H <>S+ 0 0 77 -4,-2.1 6,-0.8 1,-0.2 5,-0.5 0.969 113.5 47.2 -48.8 -58.0 -3.3 -1.0 -25.9 201 233 A L H <5S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.793 117.8 37.5 -57.1 -43.4 -5.1 -3.1 -23.3 202 234 A L H <5S+ 0 0 8 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.849 108.3 83.3 -84.2 -21.3 -7.5 -5.0 -25.6 203 235 A S T ><5S- 0 0 1 -4,-2.5 3,-0.9 -5,-0.5 -196,-0.2 -0.050 95.5-103.5 -75.7 171.1 -4.9 -5.2 -28.3 204 236 A D G > 5S+ 0 0 78 -198,-3.7 3,-0.6 1,-0.2 -197,-0.1 0.422 106.8 76.4 -68.9 -0.2 -2.1 -7.9 -28.5 205 237 A L G 3 S- 0 0 19 -2,-1.0 3,-2.4 -52,-0.2 -1,-0.1 -0.149 87.7 -98.2-139.1 43.1 -4.4 10.8 -15.8 218 250 A S T 3 S- 0 0 15 1,-0.3 -33,-1.3 2,-0.1 -32,-0.2 0.487 82.4 -62.3 48.3 2.7 -1.5 13.0 -17.0 219 251 A G T > S+ 0 0 19 -35,-0.2 3,-1.6 -36,-0.1 4,-0.3 0.461 97.3 133.2 113.8 5.6 0.6 11.7 -14.2 220 252 A F G X + 0 0 28 -3,-2.4 3,-2.1 1,-0.3 4,-0.3 0.790 59.7 69.6 -66.5 -36.6 -1.4 12.9 -11.2 221 253 A H G > S+ 0 0 77 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.704 94.4 63.3 -47.3 -25.3 -1.5 9.6 -9.2 222 254 A A G < S+ 0 0 57 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.727 78.0 78.1 -75.7 -31.8 2.2 10.3 -8.7 223 255 A I G < 0 0 61 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.662 360.0 360.0 -38.8 -23.6 1.4 13.5 -6.8 224 256 A K < 0 0 191 -3,-0.9 -2,-0.2 -4,-0.3 -3,-0.1 0.600 360.0 360.0-111.6 360.0 0.8 10.8 -4.0