==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-AUG-10 3OIF . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR K.-H.KIM,B.H.HA,S.J.KIM,S.K.HONG,K.Y.HWANG,E.E.KIM . 984 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35157.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 758 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 139 14.1 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 . 3 0.3 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 . 77 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 344 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.0 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 0 2 1 4 10 5 1 1 3 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 16 4 1 3 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 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 1 A M 0 0 141 0, 0.0 2,-0.3 0, 0.0 237,-0.0 0.000 360.0 360.0 360.0-141.9 32.7 71.1 85.9 2 2 A N - 0 0 91 2,-0.1 235,-0.5 1,-0.0 236,-0.3 -0.931 360.0-125.5-140.3 167.3 34.1 70.3 89.4 3 3 A F + 0 0 110 -2,-0.3 233,-0.0 234,-0.1 -1,-0.0 0.564 67.0 118.5 -84.1 -15.4 35.4 67.6 91.7 4 4 A S - 0 0 47 1,-0.1 233,-0.3 232,-0.1 29,-0.2 -0.265 43.4-168.4 -65.3 136.9 33.1 67.9 94.6 5 5 A L > + 0 0 2 27,-3.8 3,-1.6 24,-0.2 30,-0.3 0.025 40.1 141.5-107.9 21.9 30.8 65.1 95.7 6 6 A E T 3 + 0 0 145 26,-0.4 28,-0.2 1,-0.2 3,-0.1 -0.447 68.6 24.3 -59.1 127.4 28.8 67.4 98.0 7 7 A G T 3 S+ 0 0 57 26,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.548 99.4 114.6 90.9 7.3 25.1 66.5 97.8 8 8 A R < - 0 0 55 -3,-1.6 27,-2.8 25,-0.4 2,-0.6 -0.928 53.4-151.0-114.7 136.6 25.7 62.9 96.6 9 9 A N E -a 35 0A 20 -2,-0.4 80,-3.7 25,-0.2 81,-1.2 -0.914 17.7-174.1-105.0 122.3 24.9 59.7 98.5 10 10 A I E -ab 36 90A 3 25,-2.1 27,-2.5 -2,-0.6 2,-0.7 -0.974 17.5-143.8-125.0 127.8 27.2 56.8 97.7 11 11 A V E -ab 37 91A 0 79,-2.6 81,-2.8 -2,-0.5 2,-0.7 -0.839 13.2-163.9 -93.3 113.9 26.7 53.3 98.9 12 12 A V E -ab 38 92A 0 25,-1.9 27,-1.3 -2,-0.7 2,-0.5 -0.885 8.6-171.2-101.4 107.4 30.1 51.6 99.6 13 13 A M E +ab 39 93A 0 79,-2.4 81,-1.5 -2,-0.7 27,-0.1 -0.850 58.8 42.3 -99.8 124.3 29.6 47.8 99.9 14 14 A G + 0 0 22 25,-1.6 8,-0.3 -2,-0.5 2,-0.2 0.562 59.8 149.2 122.4 11.5 32.5 45.7 101.1 15 15 A V + 0 0 2 24,-0.6 26,-0.3 -3,-0.4 -1,-0.3 -0.558 3.0 149.8 -69.6 139.7 34.2 47.4 104.0 16 16 A A - 0 0 18 1,-0.5 2,-0.3 -2,-0.2 -1,-0.2 0.389 63.7 -18.4-137.9 -35.3 35.6 44.8 106.4 17 17 A N S > S- 0 0 30 32,-0.0 3,-1.2 35,-0.0 -1,-0.5 -0.938 77.2 -74.5-164.2-172.7 38.7 46.6 107.9 18 18 A K T 3 S+ 0 0 138 -2,-0.3 -3,-0.0 1,-0.3 178,-0.0 0.515 123.4 54.5 -73.8 -3.2 41.2 49.4 107.7 19 19 A R T 3 S+ 0 0 138 4,-0.0 -1,-0.3 175,-0.0 5,-0.1 0.627 81.5 115.6-103.3 -14.6 43.0 47.6 104.9 20 20 A S <> - 0 0 13 -3,-1.2 4,-1.0 1,-0.1 3,-0.2 -0.162 68.3-133.7 -62.8 146.4 40.1 47.2 102.6 21 21 A I H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.850 109.7 60.5 -66.7 -35.2 40.0 48.9 99.2 22 22 A A H > S+ 0 0 2 -8,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.832 100.5 55.2 -58.3 -34.4 36.5 49.9 100.0 23 23 A W H > S+ 0 0 13 -6,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.832 107.7 48.3 -68.6 -32.2 37.9 51.8 103.0 24 24 A G H X S+ 0 0 0 -4,-1.0 4,-1.6 -3,-0.3 -2,-0.2 0.882 113.0 47.4 -71.6 -39.6 40.3 53.7 100.7 25 25 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.901 110.0 56.7 -67.2 -34.5 37.3 54.4 98.5 26 26 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.957 108.6 42.4 -61.2 -57.1 35.5 55.4 101.6 27 27 A R H X S+ 0 0 76 -4,-2.3 4,-3.7 1,-0.2 5,-0.4 0.977 114.4 50.3 -54.0 -68.3 37.9 58.1 102.7 28 28 A S H X S+ 0 0 9 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.795 114.5 44.0 -36.3 -49.1 38.5 59.5 99.3 29 29 A L H ><>S+ 0 0 0 -4,-2.4 5,-1.6 2,-0.2 3,-0.5 0.936 114.8 48.9 -69.9 -45.3 34.7 59.9 98.6 30 30 A H H ><5S+ 0 0 6 -4,-2.8 3,-2.6 -3,-0.3 4,-0.3 0.960 110.4 50.9 -56.0 -51.8 34.0 61.3 102.1 31 31 A E H 3<5S+ 0 0 136 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.727 102.6 59.1 -69.7 -10.8 36.8 63.8 101.7 32 32 A A T <<5S- 0 0 23 -4,-1.0 -27,-3.8 -3,-0.5 -26,-0.4 0.324 131.0 -98.0 -88.4 4.6 35.4 64.9 98.3 33 33 A G T < 5S+ 0 0 12 -3,-2.6 -26,-0.4 1,-0.2 -25,-0.4 0.828 74.6 145.8 88.3 38.2 32.3 65.7 100.4 34 34 A A < - 0 0 1 -5,-1.6 2,-0.7 -4,-0.3 -1,-0.2 -0.697 49.5-122.3-101.7 157.5 30.1 62.7 99.8 35 35 A R E -a 9 0A 75 -27,-2.8 -25,-2.1 -30,-0.3 2,-0.3 -0.860 31.7-144.6 -99.7 117.9 27.7 61.0 102.2 36 36 A L E -a 10 0A 0 -2,-0.7 26,-2.0 -27,-0.2 2,-0.5 -0.639 15.9-168.1 -93.5 135.2 28.6 57.4 102.7 37 37 A I E -ac 11 62A 0 -27,-2.5 -25,-1.9 -2,-0.3 26,-0.2 -0.976 20.9-158.3-114.0 111.2 26.1 54.6 103.2 38 38 A F E -ac 12 63A 0 24,-3.2 26,-2.4 -2,-0.5 2,-0.3 -0.529 11.6-164.4 -92.1 159.5 28.0 51.5 104.3 39 39 A T E -ac 13 64A 2 -27,-1.3 -25,-1.6 24,-0.2 -24,-0.6 -0.969 3.9-167.9-139.9 129.5 27.1 47.8 104.1 40 40 A Y E - c 0 65A 13 24,-1.2 26,-2.3 -2,-0.3 2,-1.1 -0.778 31.4-112.0-109.4 157.1 28.7 44.9 105.9 41 41 A A S S- 0 0 58 -26,-0.3 4,-0.3 -2,-0.3 3,-0.2 -0.767 78.2 -42.0 -91.8 92.6 28.2 41.2 105.3 42 42 A G S >> S- 0 0 29 -2,-1.1 3,-2.0 1,-0.2 4,-0.6 0.299 86.9 -57.3 66.7 165.1 26.4 40.0 108.4 43 43 A E H 3> S+ 0 0 166 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.588 118.3 76.6 -59.9 -19.9 26.8 40.8 112.1 44 44 A R H 34 S+ 0 0 221 -3,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.904 106.1 37.0 -50.9 -38.6 30.5 39.7 112.4 45 45 A L H <> S+ 0 0 37 -3,-2.0 4,-2.3 -4,-0.3 3,-0.4 0.685 91.1 93.8 -94.1 -20.6 31.4 43.0 110.6 46 46 A E H X S+ 0 0 79 -4,-0.6 4,-1.9 1,-0.2 5,-0.2 0.853 90.3 41.1 -36.9 -61.0 28.8 45.3 112.3 47 47 A K H X S+ 0 0 154 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.881 114.9 52.0 -63.1 -36.9 30.9 46.6 115.1 48 48 A S H > S+ 0 0 46 -3,-0.4 4,-1.8 -4,-0.3 -2,-0.2 0.813 111.4 45.9 -71.8 -32.2 34.1 46.9 112.9 49 49 A V H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.902 111.1 51.3 -76.4 -44.7 32.4 49.0 110.2 50 50 A H H X S+ 0 0 93 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.943 112.3 48.7 -53.9 -48.0 30.7 51.3 112.8 51 51 A E H X S+ 0 0 130 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.917 113.2 46.6 -62.9 -43.5 34.1 51.8 114.4 52 52 A L H >< S+ 0 0 27 -4,-1.8 3,-2.5 1,-0.2 4,-0.3 0.988 112.9 47.2 -61.4 -59.2 35.7 52.6 111.0 53 53 A A H >< S+ 0 0 7 -4,-3.1 3,-2.1 1,-0.3 -1,-0.2 0.839 102.6 66.7 -48.2 -38.7 33.0 55.0 109.8 54 54 A G H 3< S+ 0 0 51 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.733 90.7 64.9 -56.7 -22.9 33.2 56.7 113.2 55 55 A T T << S+ 0 0 96 -3,-2.5 -1,-0.3 -4,-0.5 -2,-0.2 0.659 80.1 106.3 -77.0 -13.3 36.7 57.8 112.3 56 56 A L S < S- 0 0 13 -3,-2.1 5,-0.0 -4,-0.3 -29,-0.0 -0.277 79.5-116.6 -70.1 152.1 35.5 60.0 109.4 57 57 A D S S+ 0 0 139 2,-0.0 -1,-0.1 0, 0.0 -26,-0.0 0.971 97.0 44.8 -48.4 -72.8 35.5 63.8 109.7 58 58 A R S S- 0 0 78 1,-0.1 3,-0.2 -28,-0.1 -2,-0.1 -0.197 76.1-137.6 -70.8 167.7 31.7 64.4 109.4 59 59 A N S S+ 0 0 150 1,-0.1 -1,-0.1 -4,-0.0 -5,-0.1 -0.244 73.3 99.6-123.8 45.4 29.1 62.3 111.3 60 60 A D + 0 0 48 2,-0.1 -1,-0.1 -23,-0.0 -25,-0.0 0.441 48.6 132.3-102.9 -2.9 26.4 61.7 108.7 61 61 A S - 0 0 31 -3,-0.2 2,-0.2 -8,-0.2 -24,-0.2 -0.224 42.7-150.7 -61.3 136.6 27.4 58.1 107.7 62 62 A I E -c 37 0A 12 -26,-2.0 -24,-3.2 2,-0.0 2,-0.4 -0.718 5.7-159.6-105.5 157.0 24.8 55.3 107.5 63 63 A I E +c 38 0A 22 -2,-0.2 -24,-0.2 -26,-0.2 -26,-0.0 -0.916 16.1 165.9-146.7 109.0 25.5 51.6 108.2 64 64 A L E -c 39 0A 21 -26,-2.4 -24,-1.2 -2,-0.4 2,-0.3 -0.940 34.3-118.8-129.3 145.7 23.4 48.7 107.0 65 65 A P E +c 40 0A 65 0, 0.0 2,-0.2 0, 0.0 -24,-0.2 -0.626 34.4 169.8 -80.3 144.9 23.7 45.0 106.7 66 66 A C - 0 0 4 -26,-2.3 2,-0.8 -2,-0.3 8,-0.1 -0.758 17.9-167.8-154.8 105.6 23.4 43.5 103.2 67 67 A D - 0 0 59 -2,-0.2 7,-0.2 1,-0.1 6,-0.2 -0.857 15.7-153.1 -95.9 109.6 24.3 39.9 102.3 68 68 A V S S+ 0 0 8 -2,-0.8 2,-1.1 1,-0.2 -1,-0.1 0.512 79.1 80.7 -73.6 -4.8 24.4 39.9 98.6 69 69 A T S S+ 0 0 58 1,-0.1 -1,-0.2 59,-0.0 2,-0.1 -0.578 88.0 56.6 -96.2 71.4 23.5 36.3 98.2 70 70 A N > - 0 0 58 -2,-1.1 4,-1.7 1,-0.1 -3,-0.1 -0.306 68.1-145.3 158.8 102.8 19.7 36.8 98.8 71 71 A D H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.837 97.8 54.7 -52.9 -41.1 17.3 39.0 96.8 72 72 A A H > S+ 0 0 52 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.940 106.6 46.1 -65.9 -53.9 15.2 39.8 99.9 73 73 A E H > S+ 0 0 82 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.884 111.3 56.9 -53.6 -39.3 17.9 41.1 102.2 74 74 A I H X S+ 0 0 3 -4,-1.7 4,-2.8 -7,-0.2 5,-0.2 0.987 111.6 38.6 -59.8 -61.6 19.2 43.2 99.3 75 75 A E H X S+ 0 0 129 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.896 115.2 55.9 -56.4 -42.4 15.9 45.1 98.7 76 76 A T H X S+ 0 0 94 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.963 110.9 44.0 -47.5 -59.1 15.3 45.2 102.5 77 77 A C H X S+ 0 0 3 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.902 117.3 45.2 -54.5 -45.4 18.7 47.0 102.8 78 78 A F H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.792 106.8 58.8 -73.1 -28.8 18.0 49.2 99.9 79 79 A A H X S+ 0 0 55 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.2 0.906 108.0 47.5 -63.3 -48.4 14.4 50.0 101.0 80 80 A S H X S+ 0 0 34 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.957 108.4 53.6 -51.5 -56.3 15.9 51.3 104.2 81 81 A I H X>S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.7 0.888 109.2 50.9 -51.7 -42.1 18.5 53.4 102.2 82 82 A K H X5S+ 0 0 112 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.926 108.6 49.9 -59.7 -49.7 15.6 54.9 100.3 83 83 A E H <5S+ 0 0 168 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.940 117.1 42.4 -50.8 -49.8 13.7 55.9 103.5 84 84 A Q H <5S+ 0 0 106 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.894 134.4 8.4 -72.7 -46.8 16.8 57.5 104.9 85 85 A V H <5S- 0 0 26 -4,-2.6 2,-2.9 -5,-0.2 -3,-0.2 0.481 78.5-149.7-120.1 -10.5 18.4 59.5 102.0 86 86 A G S <> - 0 0 43 -2,-0.3 3,-1.1 1,-0.1 4,-0.7 -0.457 37.2-139.0 -69.0 136.6 36.6 28.9 97.9 100 100 A K T 34 S+ 0 0 145 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.748 101.0 56.9 -76.5 -24.5 40.2 29.2 99.0 101 101 A E T 34 S+ 0 0 126 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 0.596 101.5 60.5 -79.5 -11.1 41.2 25.6 98.1 102 102 A E T <4 S+ 0 0 6 -3,-1.1 58,-0.4 1,-0.2 7,-0.3 0.749 97.0 59.2 -80.5 -25.7 40.0 26.6 94.5 103 103 A L S < S+ 0 0 11 -4,-0.7 100,-0.4 -3,-0.3 2,-0.4 -0.080 90.3 85.2 -98.9 30.3 42.7 29.4 94.3 104 104 A V S S- 0 0 73 -3,-0.5 2,-0.4 2,-0.3 5,-0.2 -0.997 97.1 -24.3-129.5 133.1 45.6 27.1 94.8 105 105 A G S S+ 0 0 45 -2,-0.4 52,-0.5 3,-0.1 2,-0.2 -0.481 114.0 20.2 78.7-122.3 47.3 25.1 92.0 106 106 A E > - 0 0 40 -2,-0.4 3,-1.5 1,-0.1 -2,-0.3 -0.573 66.9-126.6 -87.9 153.3 45.4 24.3 88.8 107 107 A Y G > S+ 0 0 0 802,-0.3 3,-1.8 1,-0.3 53,-0.2 0.888 107.9 74.4 -58.7 -35.6 42.2 26.2 87.8 108 108 A L G 3 + 0 0 8 1,-0.3 -1,-0.3 801,-0.1 -3,-0.1 0.464 69.2 84.7 -61.5 -4.2 40.8 22.6 87.6 109 109 A N G < S+ 0 0 79 -3,-1.5 -1,-0.3 -7,-0.3 -2,-0.1 0.524 77.1 90.3 -72.4 -5.4 40.6 22.5 91.5 110 110 A T < - 0 0 0 -3,-1.8 2,-0.3 -8,-0.2 3,-0.0 -0.202 60.4-167.4 -78.3-179.7 37.3 24.2 91.1 111 111 A N > - 0 0 65 1,-0.1 4,-2.7 -2,-0.0 5,-0.3 -0.956 40.9 -83.4-165.1 166.9 33.9 22.4 90.8 112 112 A R H > S+ 0 0 28 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.850 125.4 48.5 -49.8 -42.4 30.3 23.2 89.8 113 113 A D H > S+ 0 0 128 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.951 117.1 38.3 -62.3 -54.0 29.5 24.4 93.4 114 114 A G H > S+ 0 0 0 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.924 112.2 56.6 -68.4 -49.1 32.5 26.7 93.8 115 115 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.941 113.3 41.5 -42.9 -54.9 32.5 28.1 90.3 116 116 A L H X S+ 0 0 32 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.848 113.5 52.5 -72.8 -32.8 28.8 29.2 90.7 117 117 A L H X S+ 0 0 62 -4,-2.1 4,-2.7 2,-0.2 5,-0.4 0.967 111.0 48.0 -59.7 -53.9 29.4 30.5 94.2 118 118 A A H X S+ 0 0 0 -4,-3.7 4,-1.9 1,-0.2 5,-0.3 0.876 114.8 45.7 -52.1 -42.1 32.3 32.5 92.9 119 119 A H H X>S+ 0 0 0 -4,-2.3 5,-3.3 -5,-0.3 4,-1.4 0.827 113.7 50.1 -73.4 -29.7 30.1 33.8 90.0 120 120 A N H <>S+ 0 0 10 -4,-2.1 5,-1.7 3,-0.2 -2,-0.2 0.974 121.1 30.2 -73.7 -59.5 27.2 34.5 92.4 121 121 A I H <5S+ 0 0 20 -4,-2.7 -3,-0.2 3,-0.2 -2,-0.2 0.927 130.2 38.5 -57.7 -47.8 29.1 36.5 95.0 122 122 A S H <5S+ 0 0 0 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.2 0.722 133.6 9.8 -88.2 -25.8 31.7 38.0 92.6 123 123 A S T >X5S+ 0 0 0 -4,-1.4 3,-1.0 -5,-0.3 4,-0.8 0.710 124.6 49.9-120.9 -53.7 29.8 38.8 89.4 124 124 A Y H >> S+ 0 0 1 -3,-1.0 4,-1.5 2,-0.2 -1,-0.3 0.956 109.0 42.7 -64.0 -50.4 26.7 43.6 90.9 127 127 A T H X S+ 0 0 0 -4,-1.9 3,-1.2 -5,-0.2 4,-0.6 0.651 91.7 87.0 -71.4 -20.6 19.2 50.4 93.6 134 134 A R G >< S+ 0 0 45 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.852 82.8 56.0 -54.4 -43.0 17.9 51.4 90.1 135 135 A P G 34 S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.808 108.6 49.2 -63.2 -26.6 14.6 52.9 91.2 136 136 A M G <4 S+ 0 0 14 -3,-1.2 2,-1.4 -4,-0.3 -48,-1.2 0.550 88.5 88.2 -84.9 -9.1 16.4 55.3 93.6 137 137 A M << + 0 0 6 -3,-1.4 3,-0.3 -4,-0.6 -1,-0.2 -0.587 47.0 134.8 -97.5 76.5 18.9 56.5 91.0 138 138 A T + 0 0 97 -2,-1.4 -1,-0.2 1,-0.2 3,-0.1 0.478 60.7 54.1-109.3 -11.9 16.8 59.3 89.6 139 139 A E S S- 0 0 120 1,-0.5 -1,-0.2 -51,-0.4 2,-0.1 -0.389 121.0 -77.4-119.1 55.0 19.3 62.2 89.4 140 140 A G - 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0 0 36 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.694 62.4 -23.2-110.0 -43.8 44.1 75.5 66.3 276 17 B N S > S- 0 0 71 32,-0.0 3,-1.7 35,-0.0 -1,-0.4 -0.961 76.1 -72.8-159.5 176.7 40.8 77.1 67.4 277 18 B K T 3 S+ 0 0 138 -2,-0.3 6,-0.0 1,-0.3 -3,-0.0 0.702 127.0 56.1 -49.0 -19.2 37.9 77.4 69.8 278 19 B R T 3 S+ 0 0 184 4,-0.1 -1,-0.3 5,-0.0 5,-0.1 0.747 80.9 115.3 -85.5 -29.6 36.8 74.0 68.4 279 20 B S <> - 0 0 21 -3,-1.7 4,-1.5 1,-0.1 3,-0.1 -0.059 65.9-140.5 -43.0 137.1 40.0 72.2 69.2 280 21 B I H > S+ 0 0 44 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.907 108.2 63.1 -63.3 -42.9 39.9 69.4 71.7 281 22 B A H > S+ 0 0 2 -8,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.817 100.8 51.9 -48.5 -36.5 43.2 70.8 72.8 282 23 B W H > S+ 0 0 8 -6,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.926 106.0 50.9 -71.7 -45.5 41.3 73.9 73.7 283 24 B G H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.3 -2,-0.2 0.921 112.1 49.5 -54.4 -44.3 38.7 72.1 75.8 284 25 B I H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -1,-0.3 0.895 109.0 53.3 -59.3 -40.1 41.7 70.5 77.5 285 26 B A H X S+ 0 0 0 -4,-1.6 4,-3.2 -5,-0.2 5,-0.2 0.959 109.1 47.3 -63.5 -53.0 43.2 74.0 77.9 286 27 B R H X S+ 0 0 72 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.950 112.8 48.3 -51.6 -54.9 40.1 75.5 79.6 287 28 B S H X S+ 0 0 14 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.847 114.9 45.0 -61.2 -39.2 39.7 72.6 82.0 288 29 B L H ><>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 3,-1.0 0.908 112.4 50.3 -70.4 -45.4 43.4 72.7 83.1 289 30 B H H ><5S+ 0 0 5 -4,-3.2 3,-3.1 1,-0.3 -2,-0.2 0.967 106.7 57.4 -53.7 -49.7 43.5 76.4 83.4 290 31 B E H 3<5S+ 0 0 137 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.717 102.5 54.6 -52.8 -25.4 40.3 76.1 85.5 291 32 B A T <<5S- 0 0 23 -3,-1.0 -27,-4.2 -4,-0.5 -1,-0.3 0.332 127.4 -99.4 -96.2 7.6 42.2 73.8 87.9 292 33 B G T < 5S+ 0 0 11 -3,-3.1 -26,-0.7 1,-0.3 -25,-0.3 0.584 71.4 149.3 92.5 12.7 44.9 76.4 88.3 293 34 B A < - 0 0 0 -5,-2.1 2,-0.7 -28,-0.2 -1,-0.3 -0.447 47.7-125.9 -77.7 150.3 47.5 75.1 85.9 294 35 B R E -h 268 0C 84 -27,-3.0 -25,-2.4 -30,-0.3 2,-0.3 -0.882 30.7-142.7 -96.1 120.5 49.9 77.4 84.1 295 36 B L E -h 269 0C 0 -2,-0.7 26,-1.8 -27,-0.2 2,-0.5 -0.603 17.2-167.3 -91.9 136.2 49.6 76.7 80.4 296 37 B I E -hj 270 321C 1 -27,-2.6 -25,-2.6 -2,-0.3 2,-0.3 -0.951 17.8-161.4-114.1 107.2 52.4 76.8 77.8 297 38 B F E -hj 271 322C 0 24,-3.1 26,-2.5 -2,-0.5 2,-0.4 -0.710 4.1-160.4 -93.3 143.1 51.0 76.7 74.3 298 39 B T E -hj 272 323C 4 -27,-1.4 -25,-0.8 -2,-0.3 -24,-0.6 -0.901 5.7-164.1-114.4 151.4 52.9 75.8 71.2 299 40 B Y E - j 0 324C 15 24,-2.2 26,-4.0 -2,-0.4 2,-0.5 -0.914 14.5-140.2-128.7 158.3 52.0 76.6 67.7 300 41 B A S S- 0 0 47 -2,-0.3 4,-0.4 1,-0.3 3,-0.2 -0.966 76.5 -2.7-119.8 109.3 53.1 75.3 64.3 301 42 B G S >> S- 0 0 44 -2,-0.5 3,-1.5 1,-0.1 4,-0.8 0.498 88.0 -92.0 78.1 134.9 53.6 78.0 61.6 302 43 B E T 34 S+ 0 0 140 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.281 113.7 76.9 -71.8 12.5 52.8 81.7 62.3 303 44 B R T 3> S+ 0 0 221 -3,-0.2 4,-0.7 2,-0.1 3,-0.5 0.881 103.7 40.0 -77.6 -43.2 49.1 81.6 61.1 304 45 B L H <> S+ 0 0 48 -3,-1.5 4,-2.4 -4,-0.4 5,-0.5 0.808 94.1 82.7 -72.4 -34.0 48.3 79.9 64.4 305 46 B E H X S+ 0 0 67 -4,-0.8 4,-1.5 1,-0.3 -1,-0.2 0.850 100.7 40.6 -39.8 -40.2 50.6 82.1 66.5 306 47 B K H > S+ 0 0 155 -3,-0.5 4,-2.3 -4,-0.4 -1,-0.3 0.854 109.9 57.3 -81.0 -34.8 47.7 84.6 66.4 307 48 B S H X S+ 0 0 30 -4,-0.7 4,-2.0 -3,-0.4 -2,-0.2 0.890 114.3 38.1 -60.3 -43.4 44.9 82.0 66.9 308 49 B V H X S+ 0 0 0 -4,-2.4 4,-3.8 2,-0.2 5,-0.3 0.909 112.7 56.1 -75.2 -44.1 46.4 80.8 70.2 309 50 B H H X S+ 0 0 106 -4,-1.5 4,-0.7 -5,-0.5 -2,-0.2 0.885 109.9 48.2 -57.0 -41.3 47.6 84.2 71.3 310 51 B E H >< S+ 0 0 141 -4,-2.3 3,-1.2 2,-0.2 4,-0.3 0.966 113.1 46.7 -58.0 -56.1 44.0 85.2 70.9 311 52 B L H >< S+ 0 0 18 -4,-2.0 3,-2.0 1,-0.3 4,-0.4 0.859 102.6 61.9 -62.1 -39.7 42.7 82.2 72.8 312 53 B A H >< S+ 0 0 12 -4,-3.8 3,-1.1 1,-0.3 -1,-0.3 0.824 99.0 60.7 -52.2 -28.7 45.2 82.5 75.7 313 54 B G T << S+ 0 0 54 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.631 90.9 64.4 -81.4 -14.1 43.5 85.9 76.3 314 55 B T T < S+ 0 0 92 -3,-2.0 2,-0.6 -4,-0.3 -1,-0.3 0.561 85.2 101.9 -81.0 -7.3 40.1 84.4 77.0 315 56 B L S < S- 0 0 11 -3,-1.1 5,-0.1 -4,-0.4 4,-0.1 -0.691 83.8-120.6 -89.2 119.3 41.7 82.7 80.1 316 57 B D S S+ 0 0 139 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.667 97.2 44.6 -8.6 -64.9 41.1 84.1 83.6 317 58 B R S S- 0 0 86 1,-0.1 2,-0.9 -5,-0.0 3,-0.4 -0.757 72.4-139.7-103.8 142.4 44.9 84.6 84.1 318 59 B N S S+ 0 0 158 -2,-0.3 -2,-0.1 1,-0.2 -5,-0.1 -0.326 72.0 110.4 -87.3 51.5 47.5 86.1 81.8 319 60 B D + 0 0 35 -2,-0.9 -1,-0.2 -7,-0.1 2,-0.1 0.402 43.6 120.9-104.9 1.6 50.1 83.6 82.8 320 61 B S - 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