==== 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 2H7I . 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) . 12592.0 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 0 172 0, 0.0 31,-0.1 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 49.0 59.1 26.2 -94.4 2 3 A G > - 0 0 22 1,-0.1 3,-1.3 27,-0.1 29,-0.1 -0.130 360.0 -97.9 -73.6 174.9 56.8 28.7 -92.6 3 4 A L T 3 S+ 0 0 64 1,-0.3 244,-0.4 243,-0.0 29,-0.1 0.827 126.0 33.5 -62.5 -32.5 53.4 29.8 -93.7 4 5 A L T > S+ 0 0 0 27,-2.0 3,-2.0 24,-0.2 -1,-0.3 -0.076 84.1 162.2-116.0 33.0 55.0 33.0 -95.2 5 6 A D T < S+ 0 0 91 -3,-1.3 28,-0.2 1,-0.3 27,-0.1 -0.296 71.1 5.8 -57.7 128.2 58.3 31.5 -96.3 6 7 A G T 3 S+ 0 0 55 26,-1.0 2,-0.3 1,-0.2 -1,-0.3 0.405 97.5 133.5 80.3 -2.5 60.0 33.7 -98.9 7 8 A K < - 0 0 26 -3,-2.0 27,-3.1 25,-0.1 2,-0.6 -0.629 48.0-147.3 -87.8 138.5 57.5 36.5 -98.6 8 9 A R E -a 34 0A 58 -2,-0.3 80,-3.6 78,-0.2 81,-1.7 -0.913 26.1-179.6-103.1 121.0 58.5 40.2 -98.3 9 10 A I E -ab 35 89A 0 25,-2.5 27,-1.8 -2,-0.6 2,-0.5 -0.977 23.6-145.6-131.4 135.3 55.9 42.0 -96.2 10 11 A L E -ab 36 90A 0 79,-2.5 81,-2.8 -2,-0.4 2,-0.5 -0.826 17.8-166.4 -96.0 129.4 55.6 45.6 -95.0 11 12 A V E -ab 37 91A 1 25,-2.6 27,-1.9 -2,-0.5 3,-0.2 -0.961 6.9-179.3-122.9 118.4 54.1 46.1 -91.6 12 13 A S + 0 0 0 79,-2.2 27,-0.1 -2,-0.5 25,-0.0 -0.537 52.0 57.9-103.0 171.4 52.9 49.5 -90.4 13 14 A G + 0 0 24 25,-0.4 2,-0.4 1,-0.2 8,-0.4 0.474 56.5 139.7 92.1 1.8 51.3 50.4 -87.0 14 15 A I + 0 0 5 24,-0.6 26,-0.4 -3,-0.2 -1,-0.2 -0.694 6.0 138.8 -84.2 130.0 53.9 49.4 -84.4 15 16 A I S S+ 0 0 65 1,-0.6 2,-0.3 -2,-0.4 -1,-0.2 0.486 70.2 13.5-136.1 -30.7 54.2 52.0 -81.5 16 17 A T S > S- 0 0 25 33,-0.1 3,-1.2 30,-0.0 -1,-0.6 -0.880 82.2 -99.8-140.3 172.5 54.4 49.8 -78.4 17 18 A D T 3 S+ 0 0 109 -2,-0.3 -3,-0.0 1,-0.2 178,-0.0 0.536 122.7 55.5 -73.4 -4.5 55.1 46.1 -77.6 18 19 A S T 3 S+ 0 0 28 4,-0.1 -1,-0.2 5,-0.0 5,-0.1 0.486 78.2 121.3-103.4 -6.0 51.3 45.7 -77.1 19 20 A S S X> S- 0 0 11 -3,-1.2 4,-1.3 1,-0.2 3,-1.0 -0.287 70.2-129.7 -57.2 138.2 50.4 47.1 -80.6 20 21 A I H 3> S+ 0 0 33 1,-0.3 4,-1.9 2,-0.2 3,-0.2 0.895 110.4 59.7 -56.8 -36.0 48.5 44.5 -82.6 21 22 A A H 3> S+ 0 0 0 -8,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.781 96.8 58.5 -63.5 -29.4 51.1 45.2 -85.4 22 23 A F H <> S+ 0 0 20 -3,-1.0 4,-2.6 -6,-0.2 -1,-0.2 0.929 109.6 43.8 -67.3 -41.5 53.9 44.1 -83.2 23 24 A H H X S+ 0 0 39 -4,-1.3 4,-2.4 2,-0.2 5,-0.2 0.825 111.5 53.6 -71.9 -31.4 52.3 40.7 -82.8 24 25 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.939 111.9 46.1 -66.1 -44.8 51.5 40.6 -86.5 25 26 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.930 112.6 49.9 -62.3 -47.5 55.2 41.3 -87.2 26 27 A R H X S+ 0 0 52 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.941 113.9 43.8 -58.1 -50.5 56.4 38.7 -84.7 27 28 A V H X S+ 0 0 9 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.888 111.3 54.7 -64.5 -38.4 54.2 35.9 -86.0 28 29 A A H <>S+ 0 0 0 -4,-2.4 5,-2.6 -5,-0.2 -24,-0.2 0.917 110.9 45.3 -61.4 -43.2 55.0 36.8 -89.6 29 30 A Q H ><5S+ 0 0 20 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.891 108.2 56.2 -67.4 -39.0 58.7 36.5 -88.9 30 31 A E H 3<5S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.821 107.4 52.5 -60.9 -28.8 58.2 33.2 -87.0 31 32 A Q T 3<5S- 0 0 65 -4,-1.5 -27,-2.0 -5,-0.2 -1,-0.3 0.145 129.1 -94.9 -94.4 18.4 56.6 32.0 -90.2 32 33 A G T < 5S+ 0 0 35 -3,-2.0 -26,-1.0 1,-0.2 -3,-0.2 0.474 72.7 147.2 88.0 2.8 59.5 32.9 -92.4 33 34 A A < - 0 0 10 -5,-2.6 2,-0.6 -28,-0.2 -1,-0.2 -0.431 43.4-137.5 -75.8 147.7 58.5 36.4 -93.7 34 35 A Q E -a 8 0A 91 -27,-3.1 -25,-2.5 -30,-0.2 2,-0.2 -0.927 32.9-151.3-102.9 118.9 61.1 39.0 -94.4 35 36 A L E -a 9 0A 4 -2,-0.6 2,-0.4 21,-0.3 -25,-0.2 -0.597 28.0-170.4-104.3 158.9 59.8 42.4 -93.1 36 37 A V E -a 10 0A 2 -27,-1.8 -25,-2.6 -2,-0.2 2,-0.3 -0.989 24.9-153.7-135.2 125.2 60.0 46.1 -93.7 37 38 A L E -ac 11 59A 2 21,-3.3 23,-3.4 -2,-0.4 2,-0.4 -0.788 8.2-159.2-108.2 149.1 58.5 48.2 -90.9 38 39 A T E - c 0 60A 4 -27,-1.9 -24,-0.6 -2,-0.3 -25,-0.4 -0.978 13.5-172.8-124.5 139.7 57.0 51.7 -91.1 39 40 A G E - c 0 61A 3 21,-2.4 23,-3.0 -2,-0.4 2,-0.5 -0.937 18.8-126.8-133.0 156.9 56.6 53.9 -88.0 40 41 A F - 0 0 114 -26,-0.4 2,-2.4 -2,-0.3 23,-0.1 -0.906 66.6 -46.2-111.3 123.1 55.0 57.3 -87.2 41 42 A D S S+ 0 0 109 -2,-0.5 2,-1.6 1,-0.1 3,-0.3 -0.335 122.2 67.4 65.5 -67.8 56.8 60.2 -85.5 42 43 A R > + 0 0 155 -2,-2.4 4,-2.4 1,-0.2 5,-0.2 -0.456 54.7 154.3 -87.5 67.0 58.6 58.4 -82.6 43 44 A L H > + 0 0 38 -2,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.822 69.8 57.6 -63.1 -34.6 61.1 56.3 -84.7 44 45 A R H > S+ 0 0 228 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.941 111.0 43.9 -62.4 -45.6 63.7 56.1 -81.9 45 46 A L H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.942 113.5 50.1 -62.9 -49.1 61.0 54.5 -79.7 46 47 A I H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.867 108.1 53.7 -59.9 -37.5 59.8 52.2 -82.4 47 48 A Q H X S+ 0 0 68 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.944 110.0 47.1 -61.7 -48.2 63.3 51.0 -83.2 48 49 A R H < S+ 0 0 135 -4,-1.9 4,-0.3 1,-0.2 3,-0.3 0.874 114.3 47.8 -61.7 -38.9 63.9 50.1 -79.6 49 50 A I H >< S+ 0 0 12 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.949 111.8 48.4 -67.2 -49.4 60.6 48.3 -79.5 50 51 A T H >< S+ 0 0 9 -4,-3.0 3,-1.6 1,-0.3 -1,-0.2 0.594 90.3 80.6 -70.2 -9.6 61.1 46.4 -82.7 51 52 A D T 3< S+ 0 0 89 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.763 86.7 62.6 -65.2 -22.9 64.6 45.3 -81.6 52 53 A R T < S+ 0 0 173 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.556 79.2 109.8 -79.1 -9.8 62.8 42.7 -79.7 53 54 A L S < S- 0 0 10 -3,-1.6 -27,-0.1 2,-0.1 4,-0.0 -0.326 85.4-108.3 -65.9 152.2 61.3 41.1 -82.8 54 55 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.822 98.6 20.2 -48.0 -41.2 62.7 37.6 -83.8 55 56 A A S S- 0 0 53 -29,-0.0 -2,-0.1 1,-0.0 2,-0.1 -0.861 91.6 -88.9-131.4 165.9 64.6 39.0 -86.7 56 57 A K + 0 0 192 -2,-0.3 -21,-0.3 -4,-0.1 -5,-0.1 -0.416 41.6 179.8 -72.8 147.5 66.0 42.3 -88.0 57 58 A A - 0 0 14 -2,-0.1 -21,-0.2 -23,-0.1 -4,-0.1 -0.936 30.9-112.3-153.9 126.4 63.7 44.5 -90.1 58 59 A P - 0 0 58 0, 0.0 -21,-3.3 0, 0.0 2,-0.5 -0.309 29.5-143.1 -58.1 135.6 64.4 48.0 -91.7 59 60 A L E -c 37 0A 35 -23,-0.2 2,-0.4 -21,-0.0 -21,-0.2 -0.914 17.6-172.6-107.5 125.4 62.3 50.7 -90.1 60 61 A L E -c 38 0A 15 -23,-3.4 -21,-2.4 -2,-0.5 2,-0.3 -0.914 25.1-117.5-116.7 142.9 61.0 53.5 -92.4 61 62 A E E +c 39 0A 83 -2,-0.4 2,-0.3 -23,-0.2 -21,-0.2 -0.613 36.9 170.7 -80.6 134.3 59.2 56.6 -91.4 62 63 A L + 0 0 5 -23,-3.0 2,-0.7 -2,-0.3 -24,-0.0 -0.832 18.4 178.4-151.2 109.2 55.7 57.0 -92.6 63 64 A D > - 0 0 39 -2,-0.3 3,-2.5 3,-0.2 7,-0.3 -0.951 22.2-152.0-104.9 109.4 53.1 59.6 -91.5 64 65 A V T 3 S+ 0 0 7 -2,-0.7 -1,-0.1 1,-0.3 64,-0.0 0.635 94.9 58.0 -61.6 -12.6 50.1 58.8 -93.7 65 66 A Q T 3 S+ 0 0 70 1,-0.1 2,-0.8 4,-0.0 -1,-0.3 0.492 88.3 90.6 -92.5 -4.7 49.0 62.4 -93.6 66 67 A N <> - 0 0 45 -3,-2.5 4,-1.8 1,-0.2 5,-0.2 -0.827 60.6-163.8 -98.0 109.4 52.4 63.5 -95.1 67 68 A E H > S+ 0 0 122 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.831 90.2 53.5 -58.6 -37.0 52.2 63.6 -98.9 68 69 A E H > S+ 0 0 153 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.904 105.5 53.5 -66.7 -41.2 56.0 63.6 -99.3 69 70 A H H > S+ 0 0 32 -6,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.911 113.0 44.3 -58.4 -44.1 56.3 60.4 -97.1 70 71 A L H X S+ 0 0 14 -4,-1.8 4,-0.6 -7,-0.3 3,-0.2 0.883 109.5 55.2 -68.9 -39.9 53.8 58.6 -99.3 71 72 A A H < S+ 0 0 89 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.807 117.6 35.8 -64.4 -29.7 55.4 59.9 -102.6 72 73 A S H X S+ 0 0 53 -4,-1.7 4,-2.3 -5,-0.1 5,-0.2 0.534 92.0 94.6-101.0 -8.8 58.8 58.5 -101.6 73 74 A L H X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.2 5,-0.2 0.895 82.9 49.5 -50.2 -53.5 57.6 55.4 -99.8 74 75 A A H X S+ 0 0 23 -4,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.897 112.5 48.4 -56.6 -43.3 57.9 52.9 -102.7 75 76 A G H > S+ 0 0 50 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 112.3 48.3 -64.4 -42.0 61.4 54.1 -103.5 76 77 A R H X S+ 0 0 55 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.855 111.9 49.9 -67.1 -35.2 62.5 53.8 -99.8 77 78 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.933 110.5 49.0 -68.5 -45.0 60.9 50.3 -99.6 78 79 A T H X S+ 0 0 41 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.883 109.3 53.9 -60.4 -39.0 62.7 49.1 -102.8 79 80 A E H < S+ 0 0 139 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.896 111.3 46.0 -61.0 -41.5 65.9 50.5 -101.4 80 81 A A H < S+ 0 0 33 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.839 120.9 35.6 -72.9 -35.9 65.4 48.5 -98.2 81 82 A I H < S- 0 0 9 -4,-2.4 -1,-0.2 4,-0.1 -2,-0.2 0.467 119.0-104.7 -98.1 -2.5 64.5 45.2 -99.9 82 83 A G >< - 0 0 28 -4,-1.4 3,-1.8 -5,-0.2 -3,-0.1 0.432 39.6 -69.9 88.6 134.5 66.8 45.6 -102.9 83 84 A A T 3 S+ 0 0 89 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.185 119.4 31.5 -54.5 143.5 66.2 46.6 -106.5 84 85 A G T 3 S+ 0 0 85 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.251 100.2 102.8 90.6 -14.1 64.4 43.9 -108.5 85 86 A N < - 0 0 58 -3,-1.8 -1,-0.3 -7,-0.2 2,-0.2 -0.837 50.5-170.8-105.4 141.9 62.5 42.7 -105.4 86 87 A K - 0 0 86 -2,-0.4 51,-0.2 -3,-0.1 2,-0.2 -0.753 27.8 -94.0-123.1 171.4 58.9 43.6 -104.7 87 88 A L E - d 0 137A 0 49,-3.0 51,-2.8 -2,-0.2 -78,-0.2 -0.579 19.7-169.3 -86.3 149.2 56.5 43.2 -101.8 88 89 A D E S+ 0 0 30 -80,-3.6 54,-1.8 1,-0.3 2,-0.3 0.557 74.5 25.2-107.9 -18.8 54.2 40.2 -101.4 89 90 A G E -bd 9 142A 1 -81,-1.7 -79,-2.5 52,-0.2 2,-0.4 -0.997 54.1-166.5-150.3 153.3 52.3 41.7 -98.5 90 91 A V E -bd 10 143A 1 52,-2.3 54,-2.8 -2,-0.3 2,-0.5 -0.992 9.9-160.1-139.9 128.5 51.2 45.0 -96.9 91 92 A V E -bd 11 144A 0 -81,-2.8 -79,-2.2 -2,-0.4 2,-0.7 -0.953 1.1-164.6-117.0 120.1 49.7 45.4 -93.4 92 93 A H E + d 0 145A 0 52,-3.4 54,-1.3 -2,-0.5 -79,-0.1 -0.907 22.6 157.2-101.4 111.0 47.8 48.5 -92.5 93 94 A S + 0 0 21 -2,-0.7 2,-0.4 52,-0.2 -72,-0.2 -0.422 31.5 128.2-131.7 55.3 47.4 48.6 -88.7 94 95 A I + 0 0 31 28,-0.1 2,-0.3 52,-0.1 52,-0.1 -0.938 22.6 152.2-119.2 134.4 46.9 52.4 -88.3 95 96 A G + 0 0 47 -2,-0.4 2,-0.3 -82,-0.1 27,-0.1 -0.978 5.5 159.8-159.9 147.2 44.1 54.2 -86.5 96 97 A F + 0 0 84 22,-0.4 26,-0.3 -2,-0.3 25,-0.1 -0.930 8.6 174.9-169.1 144.2 43.5 57.4 -84.7 97 98 A M - 0 0 15 -2,-0.3 18,-0.1 24,-0.1 63,-0.1 -0.932 37.9-110.5-154.2 126.9 40.7 59.7 -83.6 98 99 A P > - 0 0 18 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.184 36.5-107.4 -54.8 153.5 41.0 62.9 -81.5 99 100 A Q G > S+ 0 0 142 1,-0.3 3,-1.6 2,-0.2 6,-0.3 0.783 117.7 67.2 -55.2 -29.1 39.6 62.6 -78.0 100 101 A T G 3 S+ 0 0 43 1,-0.3 -1,-0.3 4,-0.1 9,-0.1 0.753 99.1 52.6 -64.3 -22.4 36.6 64.8 -79.0 101 102 A G G < S+ 0 0 0 -3,-2.3 58,-1.7 57,-0.1 59,-0.6 0.349 113.8 38.0 -96.2 6.9 35.5 62.0 -81.3 102 103 A M S X S+ 0 0 35 -3,-1.6 3,-0.9 -4,-0.2 55,-0.2 -0.854 91.4 26.2-144.0 178.3 35.5 59.3 -78.6 103 104 A G T 3 S- 0 0 6 53,-1.5 53,-0.3 -2,-0.3 104,-0.2 -0.297 115.0 -24.8 68.3-147.5 34.7 58.5 -75.0 104 105 A I T 3 S+ 0 0 89 102,-2.1 -1,-0.2 51,-0.1 103,-0.1 0.592 100.1 115.2 -78.7 -12.6 32.2 60.5 -73.0 105 106 A N S < S- 0 0 50 -3,-0.9 5,-0.1 -6,-0.3 51,-0.1 -0.417 83.7 -96.9 -60.2 128.2 32.5 63.6 -75.1 106 107 A P > - 0 0 66 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.145 23.1-129.0 -49.8 136.1 29.1 64.1 -76.8 107 108 A F G > S+ 0 0 81 1,-0.3 3,-1.1 2,-0.2 -2,-0.1 0.894 110.0 52.2 -51.9 -44.6 28.8 62.6 -80.3 108 109 A F G 3 S+ 0 0 188 1,-0.2 -1,-0.3 3,-0.0 -7,-0.0 0.620 99.6 64.9 -70.1 -14.5 27.4 66.0 -81.5 109 110 A D G < + 0 0 99 -3,-1.5 -1,-0.2 -9,-0.1 -2,-0.2 0.432 69.6 109.7 -92.0 2.0 30.3 68.0 -80.0 110 111 A A < - 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0 0 6 -4,-2.4 3,-1.9 -5,-0.2 37,-0.2 -0.408 69.8-148.0 -59.9 116.3 32.1 34.2 -78.3 226 227 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 36,-0.1 0.799 102.6 33.3 -57.3 -28.7 31.4 30.5 -78.7 227 228 A I T 3 S- 0 0 150 34,-1.2 35,-0.1 1,-0.3 -2,-0.1 0.181 120.4-116.0-110.8 15.1 35.1 29.8 -78.3 228 229 A G < - 0 0 22 -3,-1.9 2,-0.3 33,-0.3 -1,-0.3 0.057 21.0-110.3 75.1 171.9 35.7 32.7 -75.9 229 230 A W - 0 0 29 -4,-0.1 2,-0.7 -10,-0.1 -7,-0.1 -0.953 14.6-161.8-148.1 124.8 37.8 35.8 -76.3 230 231 A N > - 0 0 90 -2,-0.3 3,-2.0 3,-0.2 -39,-0.1 -0.876 2.1-169.0-109.6 99.5 41.0 36.8 -74.5 231 232 A M T 3 S+ 0 0 39 -2,-0.7 -37,-3.0 1,-0.3 -1,-0.1 0.634 85.2 62.0 -61.5 -16.0 41.5 40.6 -74.8 232 233 A K T 3 S+ 0 0 153 -39,-0.2 2,-0.6 1,-0.1 -1,-0.3 0.526 94.2 71.6 -88.7 -5.3 45.0 40.2 -73.4 233 234 A D < + 0 0 57 -3,-2.0 4,-0.2 1,-0.1 -3,-0.2 -0.893 46.6 171.9-120.5 107.1 46.2 37.9 -76.3 234 235 A A >> + 0 0 5 -2,-0.6 4,-2.5 1,-0.2 3,-0.6 0.524 59.8 94.3 -85.7 -6.9 46.7 39.4 -79.8 235 236 A T H 3> S+ 0 0 41 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.878 80.1 54.5 -55.5 -42.5 48.2 36.2 -81.2 236 237 A P H 3> S+ 0 0 56 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.874 111.9 46.1 -60.8 -33.9 44.9 34.9 -82.6 237 238 A V H <> S+ 0 0 0 -3,-0.6 4,-2.0 -4,-0.2 -2,-0.2 0.909 111.6 51.1 -72.1 -43.4 44.4 38.1 -84.5 238 239 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.908 108.5 51.7 -61.0 -42.4 48.0 38.1 -85.7 239 240 A K H X S+ 0 0 135 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.888 107.9 52.8 -62.3 -38.4 47.6 34.5 -87.0 240 241 A T H X S+ 0 0 32 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.899 107.9 50.1 -64.3 -41.7 44.5 35.6 -88.9 241 242 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.929 110.4 50.3 -62.3 -44.0 46.3 38.4 -90.6 242 243 A C H X S+ 0 0 1 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.863 104.7 58.4 -62.6 -33.6 49.1 36.0 -91.6 243 244 A A H < S+ 0 0 33 -4,-1.9 5,-0.5 1,-0.2 3,-0.2 0.915 108.9 44.5 -61.2 -42.0 46.5 33.7 -93.0 244 245 A L H < S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.787 110.8 54.4 -72.0 -28.4 45.3 36.4 -95.3 245 246 A L H < S+ 0 0 3 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.708 101.5 78.1 -77.0 -19.8 48.9 37.3 -96.2 246 247 A S S < S- 0 0 1 -4,-1.4 3,-0.5 -3,-0.2 -242,-0.1 -0.074 96.4-105.8 -79.8-177.0 49.5 33.6 -97.2 247 248 A D S S+ 0 0 91 -244,-0.4 -3,-0.1 1,-0.2 -1,-0.1 0.282 99.5 89.7 -92.6 10.3 48.5 31.8 -100.4 248 249 A W S S+ 0 0 193 -5,-0.5 -1,-0.2 1,-0.2 -4,-0.1 0.466 84.2 45.9 -91.8 0.9 45.7 30.0 -98.5 249 250 A L > + 0 0 53 -3,-0.5 3,-1.1 -6,-0.2 -1,-0.2 -0.466 69.8 149.8-133.8 56.6 42.8 32.5 -99.0 250 251 A P T 3 + 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.580 68.2 47.8 -68.2 -14.8 43.5 33.1 -102.8 251 252 A A T 3 S+ 0 0 98 -3,-0.1 2,-0.5 -67,-0.0 -3,-0.0 0.138 89.2 96.8-115.4 19.5 39.8 33.8 -103.7 252 253 A T < + 0 0 32 -3,-1.1 2,-0.3 -8,-0.1 -3,-0.1 -0.942 43.7 141.9-113.7 123.1 39.0 36.3 -101.0 253 254 A T + 0 0 69 -2,-0.5 -67,-0.2 -69,-0.1 3,-0.1 -0.987 57.4 25.9-158.3 153.1 39.1 40.1 -101.6 254 255 A G S S+ 0 0 15 -69,-3.6 -68,-0.2 -2,-0.3 2,-0.1 0.620 103.2 121.4 67.4 15.8 37.3 43.3 -100.8 255 256 A D E -f 186 0A 80 -70,-0.7 -68,-2.5 -84,-0.1 2,-0.4 -0.376 63.0-128.0-108.4 178.9 36.2 41.3 -97.8 256 257 A I E -f 187 0A 21 -70,-0.2 2,-0.5 -3,-0.1 -68,-0.2 -0.995 13.4-163.2-131.5 124.9 36.3 41.2 -94.0 257 258 A I E -f 188 0A 52 -70,-2.8 -68,-2.3 -2,-0.4 2,-0.7 -0.939 18.5-138.4-108.0 127.9 37.5 38.2 -91.9 258 259 A Y E +f 189 0A 73 -2,-0.5 2,-0.7 -70,-0.2 -68,-0.2 -0.793 23.9 176.8 -95.6 114.0 36.4 38.3 -88.3 259 260 A A E +f 190 0A 12 -70,-1.9 -68,-1.6 -2,-0.7 -1,-0.1 -0.695 48.5 113.0-108.9 72.3 39.0 37.2 -85.7 260 261 A D S > S- 0 0 3 -2,-0.7 3,-1.3 -70,-0.3 -1,-0.2 0.121 95.4 -96.1-132.5 18.8 36.6 38.0 -82.8 261 262 A G T 3 S- 0 0 12 1,-0.3 -34,-1.2 -3,-0.2 -33,-0.3 0.534 74.6 -72.3 75.9 5.7 36.0 34.6 -81.2 262 263 A G T > S+ 0 0 22 -37,-0.2 3,-1.8 -36,-0.1 -1,-0.3 0.539 96.4 138.1 84.1 8.6 32.8 34.4 -83.3 263 264 A A G X + 0 0 0 -3,-1.3 3,-1.6 1,-0.3 -2,-0.1 0.848 62.9 59.9 -55.9 -37.7 31.2 37.0 -81.1 264 265 A H G 3 S+ 0 0 79 1,-0.3 -1,-0.3 -4,-0.0 -3,-0.0 0.632 98.0 60.5 -70.1 -8.9 29.6 38.9 -83.9 265 266 A T G < S+ 0 0 83 -3,-1.8 2,-0.4 -41,-0.0 -1,-0.3 0.409 99.2 66.9 -95.8 2.4 27.6 35.8 -85.0 266 267 A Q < - 0 0 82 -3,-1.6 -42,-0.1 -4,-0.2 -41,-0.0 -0.969 59.4-159.7-127.3 138.1 25.8 35.6 -81.6 267 268 A L 0 0 152 -2,-0.4 -1,-0.1 1,-0.3 -43,-0.1 0.914 360.0 360.0 -79.0 -45.4 23.2 38.0 -80.1 268 269 A L 0 0 177 -44,-0.1 -1,-0.3 -45,-0.1 -48,-0.0 -0.924 360.0 360.0-154.6 360.0 23.8 36.7 -76.6