==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-JUN-06 2H7M . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR X.HE,A.ALIAN,R.STROUD,P.R.ORTIZ DE MONTELLANO . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12625.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 12.3 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 . 1 0.4 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 . 20 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 1 1 0 1 3 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 2 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 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 2 A T 0 0 182 0, 0.0 31,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 2.7 -9.5 59.3 46.9 2 3 A G > - 0 0 17 1,-0.1 3,-1.5 2,-0.1 29,-0.1 -0.322 360.0-122.7 -69.3 150.4 -8.1 55.9 48.0 3 4 A L T 3 S+ 0 0 61 1,-0.3 244,-0.4 243,-0.0 29,-0.1 0.810 114.6 33.4 -60.1 -30.8 -4.7 54.7 46.9 4 5 A L T > S+ 0 0 0 27,-2.1 3,-2.1 24,-0.2 -1,-0.3 -0.033 83.6 162.4-117.6 30.0 -6.3 51.6 45.4 5 6 A D T < S+ 0 0 81 -3,-1.5 28,-0.2 1,-0.3 27,-0.1 -0.240 71.7 5.1 -53.8 130.8 -9.6 53.0 44.2 6 7 A G T 3 S+ 0 0 63 26,-1.0 2,-0.3 1,-0.2 -1,-0.3 0.419 97.2 133.1 75.9 -1.6 -11.4 50.8 41.7 7 8 A K < - 0 0 27 -3,-2.1 27,-3.1 25,-0.1 2,-0.6 -0.661 48.1-146.9 -88.9 137.3 -8.8 48.1 41.9 8 9 A R E -a 34 0A 57 -2,-0.3 80,-3.5 78,-0.2 81,-1.7 -0.899 25.9-178.9-101.2 120.3 -9.7 44.4 42.3 9 10 A I E -ab 35 89A 0 25,-2.4 27,-1.8 -2,-0.6 2,-0.5 -0.971 23.1-145.5-129.8 135.7 -7.2 42.5 44.4 10 11 A L E -ab 36 90A 0 79,-2.6 81,-2.6 -2,-0.4 2,-0.5 -0.827 17.7-167.2 -96.4 131.0 -6.8 38.9 45.5 11 12 A V E -ab 37 91A 1 25,-2.6 27,-1.8 -2,-0.5 3,-0.2 -0.967 6.4-179.1-125.0 118.4 -5.3 38.4 49.0 12 13 A S + 0 0 0 79,-2.2 27,-0.1 -2,-0.5 25,-0.0 -0.556 51.9 58.0-104.0 170.3 -4.1 35.0 50.2 13 14 A G + 0 0 23 25,-0.5 2,-0.4 1,-0.2 8,-0.4 0.496 56.3 139.9 93.1 3.3 -2.6 34.1 53.5 14 15 A I + 0 0 5 24,-0.6 26,-0.4 -3,-0.2 -1,-0.2 -0.705 6.1 138.7 -84.8 129.6 -5.1 35.1 56.2 15 16 A I S S+ 0 0 64 1,-0.6 2,-0.3 -2,-0.4 -1,-0.2 0.485 70.3 14.1-136.2 -30.5 -5.4 32.6 59.0 16 17 A T S > S- 0 0 27 33,-0.1 3,-1.2 34,-0.0 -1,-0.6 -0.868 82.3-100.8-139.2 173.1 -5.6 34.7 62.2 17 18 A D T 3 S+ 0 0 106 -2,-0.3 -3,-0.0 1,-0.2 178,-0.0 0.531 122.2 56.5 -76.0 -2.3 -6.3 38.4 63.0 18 19 A S T 3 S+ 0 0 26 4,-0.1 -1,-0.2 5,-0.0 5,-0.0 0.459 78.3 122.1-103.5 -4.5 -2.5 38.8 63.5 19 20 A S X> - 0 0 11 -3,-1.2 4,-1.4 1,-0.1 3,-0.9 -0.295 69.5-130.6 -58.1 138.3 -1.7 37.5 60.0 20 21 A I H 3> S+ 0 0 33 1,-0.3 4,-2.0 2,-0.2 3,-0.2 0.902 110.5 59.1 -57.8 -36.1 0.3 40.0 57.9 21 22 A A H 3> S+ 0 0 0 -8,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.798 97.4 58.8 -63.1 -30.1 -2.3 39.3 55.2 22 23 A F H <> S+ 0 0 20 -3,-0.9 4,-2.5 -9,-0.2 -1,-0.2 0.939 109.1 43.8 -65.6 -43.3 -5.1 40.4 57.4 23 24 A H H X S+ 0 0 39 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.850 111.6 53.5 -69.6 -33.7 -3.5 43.9 57.8 24 25 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.944 111.5 46.6 -63.8 -46.1 -2.7 44.0 54.1 25 26 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.918 112.4 49.9 -61.7 -45.4 -6.4 43.3 53.4 26 27 A R H X S+ 0 0 52 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.945 113.6 44.0 -60.0 -50.6 -7.6 45.9 55.9 27 28 A V H X S+ 0 0 8 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.891 111.6 54.7 -63.7 -38.4 -5.4 48.7 54.6 28 29 A A H <>S+ 0 0 0 -4,-2.4 5,-2.5 -5,-0.2 -1,-0.2 0.916 110.8 45.0 -62.0 -42.9 -6.3 47.8 51.0 29 30 A Q H ><5S+ 0 0 20 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.882 108.3 56.4 -68.3 -37.4 -10.0 48.1 51.7 30 31 A E H 3<5S+ 0 0 102 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.815 107.6 52.1 -62.3 -27.7 -9.4 51.3 53.6 31 32 A Q T 3<5S- 0 0 64 -4,-1.4 -27,-2.1 -5,-0.2 -1,-0.3 0.143 129.0 -94.7 -95.8 18.3 -7.8 52.6 50.4 32 33 A G T < 5S+ 0 0 34 -3,-1.9 -26,-1.0 1,-0.2 -3,-0.2 0.462 72.5 147.1 88.9 2.2 -10.7 51.6 48.1 33 34 A A < - 0 0 10 -5,-2.5 2,-0.6 -28,-0.2 -1,-0.2 -0.423 43.6-137.2 -75.4 147.6 -9.7 48.2 46.9 34 35 A Q E -a 8 0A 90 -27,-3.1 -25,-2.4 -30,-0.2 2,-0.2 -0.925 33.1-151.9-102.7 117.3 -12.3 45.5 46.1 35 36 A L E -a 9 0A 4 -2,-0.6 2,-0.4 21,-0.3 -25,-0.2 -0.587 27.9-170.4-103.2 158.5 -11.0 42.2 47.5 36 37 A V E -a 10 0A 1 -27,-1.8 -25,-2.6 -2,-0.2 2,-0.3 -0.988 24.8-154.5-134.6 126.3 -11.2 38.5 46.9 37 38 A L E -ac 11 59A 2 21,-3.2 23,-3.3 -2,-0.4 2,-0.4 -0.802 7.9-158.5-109.8 149.4 -9.7 36.3 49.6 38 39 A T E - c 0 60A 5 -27,-1.8 -24,-0.6 -2,-0.3 -25,-0.5 -0.982 13.2-172.8-125.3 138.8 -8.2 32.8 49.5 39 40 A G E - c 0 61A 3 21,-2.4 23,-2.8 -2,-0.4 2,-0.5 -0.932 18.2-127.2-132.0 157.1 -7.8 30.6 52.5 40 41 A F - 0 0 111 -26,-0.4 2,-2.6 -2,-0.3 23,-0.1 -0.906 66.6 -44.4-112.0 124.7 -6.2 27.3 53.4 41 42 A D S S+ 0 0 107 -2,-0.5 2,-1.3 1,-0.1 3,-0.2 -0.298 121.6 67.6 64.7 -62.7 -8.0 24.4 55.1 42 43 A R > + 0 0 152 -2,-2.6 4,-2.5 1,-0.2 5,-0.2 -0.504 53.6 155.7 -93.4 69.9 -9.9 26.1 57.9 43 44 A L H > S+ 0 0 41 -2,-1.3 4,-2.5 1,-0.2 5,-0.2 0.809 70.6 56.5 -63.9 -34.6 -12.4 28.1 55.9 44 45 A R H > S+ 0 0 221 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.937 111.5 44.2 -63.3 -44.9 -14.9 28.4 58.8 45 46 A L H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.949 114.1 49.6 -62.6 -51.0 -12.2 30.0 60.9 46 47 A I H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.878 108.9 51.8 -59.2 -39.9 -11.0 32.3 58.2 47 48 A Q H X S+ 0 0 72 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.927 110.5 48.6 -63.6 -43.3 -14.5 33.5 57.3 48 49 A R H < S+ 0 0 131 -4,-1.9 3,-0.3 -5,-0.2 4,-0.2 0.885 113.8 47.5 -63.8 -38.3 -15.2 34.4 61.0 49 50 A I H >< S+ 0 0 14 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.941 112.1 48.0 -67.6 -48.1 -11.8 36.2 61.1 50 51 A T H >< S+ 0 0 8 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.582 90.0 81.0 -72.5 -8.3 -12.4 38.2 57.9 51 52 A D T 3< S+ 0 0 83 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.724 87.2 62.3 -66.1 -19.0 -15.9 39.2 59.0 52 53 A R T < S+ 0 0 151 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.568 79.1 109.0 -82.8 -11.8 -14.0 41.8 60.9 53 54 A L S < S- 0 0 11 -3,-1.5 -27,-0.1 1,-0.1 4,-0.0 -0.284 85.9-107.5 -63.9 154.4 -12.5 43.5 57.8 54 55 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.805 98.0 20.7 -51.3 -37.3 -13.9 46.9 56.8 55 56 A A S S- 0 0 53 1,-0.0 -2,-0.1 -29,-0.0 -26,-0.1 -0.903 91.8 -85.6-135.9 163.9 -15.9 45.5 53.9 56 57 A K + 0 0 187 -2,-0.3 -21,-0.3 -22,-0.0 -5,-0.1 -0.340 43.1 178.8 -65.9 145.7 -17.3 42.3 52.6 57 58 A A - 0 0 15 -23,-0.1 -21,-0.2 -4,-0.0 -4,-0.1 -0.916 30.1-115.9-154.5 123.0 -15.0 40.0 50.5 58 59 A P - 0 0 59 0, 0.0 -21,-3.2 0, 0.0 2,-0.5 -0.316 28.2-142.3 -59.2 137.2 -15.6 36.6 48.9 59 60 A L E -c 37 0A 35 -23,-0.2 2,-0.4 -21,-0.0 -21,-0.2 -0.915 17.6-172.7-108.7 125.2 -13.5 33.8 50.4 60 61 A L E -c 38 0A 24 -23,-3.3 -21,-2.4 -2,-0.5 2,-0.3 -0.907 25.1-117.9-116.1 142.8 -12.2 31.1 48.1 61 62 A E E +c 39 0A 81 -2,-0.4 2,-0.3 -23,-0.2 -21,-0.2 -0.614 36.9 170.0 -81.2 135.6 -10.4 27.9 49.2 62 63 A L + 0 0 5 -23,-2.8 2,-0.7 -2,-0.3 -24,-0.0 -0.827 18.6 178.7-152.7 109.4 -6.9 27.5 48.0 63 64 A D > - 0 0 40 -2,-0.3 3,-2.2 3,-0.2 7,-0.2 -0.956 22.7-151.3-104.7 110.9 -4.3 24.9 49.0 64 65 A V T 3 S+ 0 0 6 -2,-0.7 -1,-0.1 1,-0.3 64,-0.0 0.624 94.8 57.9 -63.6 -10.7 -1.3 25.7 46.9 65 66 A Q T 3 S+ 0 0 69 1,-0.1 2,-0.8 4,-0.0 -1,-0.3 0.505 87.9 90.8 -93.2 -5.7 -0.2 22.1 47.0 66 67 A N <> - 0 0 42 -3,-2.2 4,-1.8 1,-0.2 3,-0.2 -0.815 60.9-163.3 -96.7 108.9 -3.6 21.0 45.4 67 68 A E H > S+ 0 0 121 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.840 90.3 53.7 -58.2 -37.6 -3.4 21.0 41.6 68 69 A E H > S+ 0 0 154 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.887 105.4 53.6 -66.7 -39.2 -7.2 21.0 41.3 69 70 A H H > S+ 0 0 33 -3,-0.2 4,-0.9 -6,-0.2 -1,-0.2 0.910 112.4 44.5 -60.7 -43.6 -7.5 24.1 43.4 70 71 A L H X S+ 0 0 15 -4,-1.8 4,-0.6 -7,-0.2 3,-0.2 0.882 110.0 54.7 -69.1 -38.7 -5.0 25.9 41.2 71 72 A A H < S+ 0 0 88 -4,-2.2 4,-0.2 1,-0.2 -1,-0.2 0.790 117.1 36.4 -66.4 -28.3 -6.6 24.7 38.0 72 73 A S H X S+ 0 0 52 -4,-1.6 4,-2.2 -5,-0.1 -1,-0.2 0.529 92.6 93.5-101.6 -7.9 -10.0 26.0 39.0 73 74 A L H X S+ 0 0 0 -4,-0.9 4,-2.5 -3,-0.2 5,-0.2 0.903 82.7 49.8 -52.2 -53.6 -8.8 29.2 40.8 74 75 A A H X S+ 0 0 23 -4,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.888 112.7 49.0 -55.7 -41.4 -9.1 31.6 37.9 75 76 A G H > S+ 0 0 48 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.903 111.6 48.0 -65.9 -41.7 -12.6 30.5 37.1 76 77 A R H X S+ 0 0 58 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.852 111.8 50.2 -68.0 -34.8 -13.7 30.8 40.7 77 78 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.934 109.5 50.5 -68.4 -45.0 -12.2 34.3 41.0 78 79 A T H X S+ 0 0 39 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.881 109.0 52.5 -60.0 -38.2 -13.9 35.4 37.8 79 80 A E H < S+ 0 0 166 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.884 111.5 47.4 -64.5 -37.8 -17.2 34.1 39.2 80 81 A A H < S+ 0 0 38 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.859 120.9 34.3 -73.2 -37.3 -16.6 36.1 42.4 81 82 A I H < S- 0 0 10 -4,-2.5 -2,-0.2 4,-0.1 -1,-0.2 0.538 120.3-101.2 -96.3 -7.1 -15.7 39.4 40.7 82 83 A G >< - 0 0 26 -4,-1.7 3,-2.0 -5,-0.3 -3,-0.1 0.387 39.1 -73.9 95.4 131.3 -18.0 39.0 37.7 83 84 A A T 3 S+ 0 0 91 1,-0.3 3,-0.1 -4,-0.2 -4,-0.0 -0.227 119.3 33.1 -54.6 140.9 -17.4 37.9 34.1 84 85 A G T 3 S+ 0 0 84 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.237 100.3 101.0 94.5 -14.6 -15.7 40.6 32.1 85 86 A N < - 0 0 56 -3,-2.0 -1,-0.3 -7,-0.2 2,-0.3 -0.821 50.9-170.0-106.1 145.5 -13.7 41.8 35.1 86 87 A K - 0 0 85 -2,-0.3 51,-0.2 -3,-0.1 -78,-0.2 -0.787 27.4 -93.7-126.1 171.1 -10.1 41.0 35.9 87 88 A L E - d 0 137A 0 49,-3.0 51,-2.8 -2,-0.3 -78,-0.2 -0.567 18.6-168.5 -86.2 150.0 -7.7 41.4 38.8 88 89 A D E S+ 0 0 24 -80,-3.5 54,-1.8 1,-0.3 2,-0.3 0.558 74.8 23.7-107.8 -18.7 -5.4 44.4 39.2 89 90 A G E -bd 9 142A 1 -81,-1.7 -79,-2.6 52,-0.2 2,-0.4 -0.999 53.4-165.1-152.1 153.4 -3.4 42.8 42.0 90 91 A V E -bd 10 143A 0 52,-2.2 54,-2.9 -2,-0.3 2,-0.5 -0.997 10.4-159.9-138.0 129.5 -2.4 39.6 43.7 91 92 A V E -bd 11 144A 0 -81,-2.6 -79,-2.2 -2,-0.4 2,-0.7 -0.958 0.4-164.5-116.9 119.4 -0.9 39.2 47.2 92 93 A H E + d 0 145A 0 52,-3.5 54,-1.2 -2,-0.5 -79,-0.1 -0.904 22.4 157.6-100.8 111.0 1.0 36.1 48.1 93 94 A S + 0 0 21 -2,-0.7 2,-0.4 52,-0.2 -72,-0.2 -0.411 31.7 128.5-131.1 56.0 1.4 35.9 51.9 94 95 A I + 0 0 32 28,-0.1 2,-0.3 52,-0.1 52,-0.1 -0.926 22.1 150.6-119.4 135.8 1.9 32.2 52.2 95 96 A G + 0 0 47 -2,-0.4 2,-0.3 -82,-0.1 27,-0.1 -0.979 6.1 160.7-161.6 149.9 4.7 30.4 54.0 96 97 A F + 0 0 86 22,-0.4 26,-0.3 -2,-0.3 25,-0.1 -0.922 7.9 174.7-171.0 144.7 5.3 27.1 55.8 97 98 A M - 0 0 14 -2,-0.3 18,-0.1 24,-0.1 5,-0.1 -0.919 37.7-110.6-155.2 126.9 8.2 24.8 57.0 98 99 A P > - 0 0 18 0, 0.0 3,-2.4 0, 0.0 4,-0.4 -0.185 35.6-107.1 -56.4 154.6 7.9 21.7 59.1 99 100 A Q G > S+ 0 0 141 1,-0.3 3,-0.9 2,-0.2 6,-0.4 0.751 118.8 65.1 -55.5 -25.8 9.3 21.9 62.6 100 101 A T G 3 S+ 0 0 25 1,-0.2 -1,-0.3 4,-0.1 9,-0.1 0.730 102.0 49.7 -70.7 -20.0 12.2 19.7 61.6 101 102 A G G < S+ 0 0 0 -3,-2.4 58,-1.9 13,-0.1 59,-0.6 0.445 116.9 35.4 -98.1 -1.5 13.3 22.5 59.3 102 103 A M S X S+ 0 0 47 -3,-0.9 3,-0.8 -4,-0.4 55,-0.2 -0.822 94.7 31.1-138.6 176.7 13.1 25.3 61.8 103 104 A G T 3 S- 0 0 6 53,-0.9 53,-0.2 -2,-0.3 104,-0.2 -0.374 113.5 -29.2 75.5-149.9 13.8 25.9 65.5 104 105 A I T 3 S+ 0 0 100 102,-2.1 -1,-0.2 -2,-0.1 103,-0.1 0.571 98.0 114.6 -83.7 -11.1 16.4 24.0 67.5 105 106 A N S < S- 0 0 52 -3,-0.8 5,-0.1 -6,-0.4 51,-0.1 -0.431 84.4 -95.4 -60.7 130.5 16.3 20.8 65.5 106 107 A P > - 0 0 67 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.160 24.6-126.1 -51.0 138.2 19.7 20.5 63.9 107 108 A F G > S+ 0 0 80 1,-0.3 3,-1.1 2,-0.2 -2,-0.1 0.887 111.2 51.8 -50.9 -45.1 20.0 21.9 60.3 108 109 A F G 3 S+ 0 0 187 1,-0.2 -1,-0.3 3,-0.0 -7,-0.0 0.623 99.7 66.0 -70.1 -14.0 21.4 18.6 59.1 109 110 A D G < + 0 0 96 -3,-1.7 -1,-0.2 -9,-0.1 -2,-0.2 0.443 69.5 109.6 -90.7 0.9 18.5 16.6 60.6 110 111 A A < - 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0 0 5 -4,-2.4 3,-1.9 -5,-0.2 37,-0.2 -0.419 69.0-148.5 -60.7 116.4 16.7 50.4 62.2 226 227 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 36,-0.1 0.815 102.4 33.9 -56.8 -30.1 17.4 54.1 61.9 227 228 A I T 3 S- 0 0 151 34,-1.2 35,-0.1 1,-0.3 -2,-0.1 0.207 120.1-116.3-108.3 13.6 13.7 54.8 62.3 228 229 A G < - 0 0 22 -3,-1.9 2,-0.3 33,-0.3 -1,-0.3 0.018 21.2-109.7 76.6 172.1 13.1 51.9 64.7 229 230 A W - 0 0 30 -4,-0.1 2,-0.7 -3,-0.1 -7,-0.1 -0.953 14.8-161.1-147.9 124.7 11.0 48.8 64.3 230 231 A N > - 0 0 91 -2,-0.3 3,-1.8 3,-0.2 -39,-0.1 -0.883 1.7-169.5-108.9 101.9 7.8 47.8 66.1 231 232 A M T 3 S+ 0 0 41 -2,-0.7 -37,-3.0 1,-0.3 -1,-0.1 0.639 85.4 61.5 -64.0 -15.6 7.3 44.1 65.8 232 233 A K T 3 S+ 0 0 166 -39,-0.2 2,-0.6 1,-0.1 -1,-0.3 0.496 94.3 71.7 -89.9 -3.0 3.7 44.5 67.2 233 234 A D < + 0 0 57 -3,-1.8 4,-0.3 1,-0.1 -3,-0.2 -0.900 46.0 171.5-121.7 106.6 2.6 46.7 64.3 234 235 A A >> + 0 0 5 -2,-0.6 4,-2.5 1,-0.2 3,-0.7 0.547 60.1 94.2 -85.9 -7.8 2.1 45.2 60.8 235 236 A T H 3> S+ 0 0 30 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.883 79.9 54.3 -53.6 -44.5 0.6 48.4 59.4 236 237 A P H 3> S+ 0 0 55 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.870 111.8 46.4 -59.5 -34.0 3.9 49.8 57.9 237 238 A V H <> S+ 0 0 0 -3,-0.7 4,-2.0 -4,-0.3 -2,-0.2 0.918 111.6 50.4 -71.6 -44.6 4.3 46.5 56.1 238 239 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.895 108.8 52.3 -60.8 -41.6 0.7 46.5 54.8 239 240 A K H X S+ 0 0 129 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.893 107.7 52.3 -61.8 -39.7 1.1 50.1 53.6 240 241 A T H X S+ 0 0 34 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.895 108.1 50.3 -64.1 -41.1 4.3 49.0 51.6 241 242 A V H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.926 110.2 50.4 -63.1 -43.2 2.4 46.2 50.0 242 243 A C H X S+ 0 0 2 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.854 105.0 58.0 -63.7 -32.5 -0.4 48.6 49.0 243 244 A A H < S+ 0 0 33 -4,-1.9 5,-0.5 1,-0.2 3,-0.4 0.918 108.6 45.2 -62.5 -42.2 2.3 50.9 47.6 244 245 A L H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.782 110.6 54.1 -71.1 -27.5 3.4 48.2 45.2 245 246 A L H < S+ 0 0 4 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.679 101.4 78.6 -78.7 -17.9 -0.2 47.3 44.4 246 247 A S S < S- 0 0 1 -4,-1.2 3,-0.5 -3,-0.4 -242,-0.1 -0.085 96.2-105.4 -81.0-176.4 -0.7 51.0 43.4 247 248 A D S S+ 0 0 92 -244,-0.4 -3,-0.1 1,-0.2 -1,-0.1 0.253 99.5 89.6 -93.3 12.0 0.3 52.8 40.2 248 249 A W S S+ 0 0 195 -5,-0.5 -1,-0.2 1,-0.2 -4,-0.1 0.471 84.3 45.2 -93.0 -0.3 3.1 54.6 42.0 249 250 A L > + 0 0 54 -3,-0.5 3,-1.2 -6,-0.3 -1,-0.2 -0.458 69.9 150.4-133.7 56.3 6.0 52.1 41.5 250 251 A P T 3 + 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.581 68.2 48.3 -67.1 -15.2 5.3 51.5 37.8 251 252 A A T 3 S+ 0 0 98 -3,-0.1 2,-0.5 -67,-0.0 -3,-0.0 0.137 88.8 97.9-114.8 19.8 8.9 50.8 36.8 252 253 A T < + 0 0 31 -3,-1.2 2,-0.3 -8,-0.1 -3,-0.1 -0.934 43.1 142.5-113.3 121.9 9.8 48.3 39.6 253 254 A T + 0 0 67 -2,-0.5 -67,-0.2 -69,-0.1 3,-0.1 -0.991 57.4 24.3-156.8 152.9 9.7 44.6 38.9 254 255 A G S S+ 0 0 17 -69,-3.4 -68,-0.2 -2,-0.3 2,-0.1 0.627 102.4 121.4 66.9 15.9 11.5 41.4 39.8 255 256 A D E -f 186 0A 80 -70,-0.6 -68,-2.4 -84,-0.1 2,-0.4 -0.384 62.9-127.8-108.0 178.9 12.6 43.3 42.8 256 257 A I E -f 187 0A 22 -70,-0.2 2,-0.5 -2,-0.1 -68,-0.2 -0.996 14.2-162.2-131.2 125.0 12.5 43.4 46.6 257 258 A I E -f 188 0A 52 -70,-2.8 -68,-2.4 -2,-0.4 2,-0.7 -0.940 18.2-137.9-107.9 127.3 11.3 46.4 48.6 258 259 A Y E +f 189 0A 76 -2,-0.5 2,-0.7 -70,-0.2 -68,-0.2 -0.784 24.6 176.0 -94.3 115.0 12.5 46.4 52.3 259 260 A A E +f 190 0A 12 -70,-2.0 -68,-1.6 -2,-0.7 -1,-0.1 -0.695 48.2 112.8-110.9 72.2 9.9 47.4 54.9 260 261 A D S > S- 0 0 3 -2,-0.7 3,-1.3 -70,-0.3 -1,-0.2 0.108 95.2 -96.4-132.7 19.5 12.2 46.7 57.8 261 262 A G T 3 S- 0 0 12 1,-0.3 -34,-1.2 -3,-0.2 -33,-0.3 0.541 74.4 -72.6 74.7 6.1 12.9 50.1 59.3 262 263 A G T > S+ 0 0 22 -37,-0.2 3,-1.8 -36,-0.1 -1,-0.3 0.522 96.1 137.9 83.9 7.9 16.1 50.2 57.3 263 264 A A G X + 0 0 0 -3,-1.3 3,-1.6 1,-0.3 -2,-0.1 0.835 62.7 60.2 -55.7 -36.7 17.7 47.6 59.5 264 265 A H G 3 S+ 0 0 77 1,-0.3 -1,-0.3 -4,-0.0 -3,-0.0 0.618 98.3 59.9 -70.9 -8.5 19.3 45.7 56.7 265 266 A T G < S+ 0 0 84 -3,-1.8 2,-0.4 -41,-0.1 -1,-0.3 0.429 98.8 68.2 -96.2 0.6 21.3 48.8 55.7 266 267 A Q < - 0 0 82 -3,-1.6 -42,-0.1 -4,-0.2 -41,-0.0 -0.961 58.4-162.0-124.7 136.7 23.1 49.0 59.0 267 268 A L 0 0 154 -2,-0.4 -1,-0.1 1,-0.3 -43,-0.1 0.897 360.0 360.0 -80.7 -42.2 25.6 46.6 60.5 268 269 A L 0 0 182 -44,-0.1 -1,-0.3 -45,-0.1 -48,-0.0 -0.922 360.0 360.0-163.7 360.0 25.2 47.9 64.0