==== 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 TRANSFERASE 19-JUL-07 2QO1 . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.SACHDEVA,F.MUSAYEV,M.ALHAMADSHEH,J.N.SCARSDALE,H.T.WRIGHT, . 668 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22885.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 486 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 13.6 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 . 1 0.1 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 . 2 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 . 54 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 2 0 2 0 3 1 1 1 2 0 0 3 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 3 3 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 PARALLEL BRIDGES PER LADDER . 2 0 3 4 0 1 0 4 1 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 . 4 0 0 0 2 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 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 -10 A M 0 0 224 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 42.2 -12.1 28.2 19.2 2 -9 A T - 0 0 48 584,-0.1 2,-0.3 3,-0.0 3,-0.0 -0.873 360.0-144.5-135.0 101.4 -8.7 26.7 18.1 3 -8 A E - 0 0 122 -2,-0.4 515,-0.1 1,-0.1 2,-0.1 -0.512 23.6-113.5 -73.2 128.6 -6.4 25.7 21.0 4 -7 A I - 0 0 2 513,-0.8 577,-0.2 -2,-0.3 513,-0.2 -0.358 38.2-113.9 -56.2 129.7 -2.7 26.2 20.4 5 -6 A A - 0 0 37 575,-2.6 2,-0.4 -2,-0.1 -1,-0.1 -0.287 25.5-148.2 -66.8 151.9 -0.9 22.9 20.2 6 -5 A T - 0 0 59 514,-0.1 2,-0.1 575,-0.0 514,-0.1 -0.971 6.8-151.7-121.8 144.2 1.5 21.9 22.8 7 -4 A T - 0 0 58 -2,-0.4 2,-0.3 131,-0.2 133,-0.1 -0.431 7.5-150.0-102.6 178.7 4.6 19.7 22.2 8 -3 A S - 0 0 83 131,-0.2 131,-0.2 -2,-0.1 130,-0.2 -0.965 7.9-168.1-157.2 137.5 6.4 17.3 24.6 9 -2 A G - 0 0 36 128,-2.9 128,-0.3 -2,-0.3 2,-0.1 -0.001 45.3 -41.7-103.5-150.7 9.9 16.1 25.1 10 -1 A A - 0 0 19 126,-0.7 -1,-0.2 1,-0.1 3,-0.1 -0.439 36.4-142.2 -81.5 153.0 11.6 13.3 27.2 11 1 A R S S+ 0 0 186 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.943 87.6 44.7 -75.2 -54.5 10.7 12.5 30.8 12 2 A S + 0 0 18 167,-0.3 167,-2.7 170,-0.1 2,-0.3 -0.847 66.6 174.2-102.4 121.5 14.2 11.7 32.0 13 3 A V E +A 178 0A 0 -2,-0.5 170,-2.1 165,-0.3 171,-0.8 -0.858 5.5 168.4-119.1 158.3 17.2 14.0 31.2 14 4 A G E -A 177 0A 3 163,-2.3 163,-1.6 -2,-0.3 2,-1.0 -0.974 45.1 -82.0-159.1 169.6 20.8 13.9 32.4 15 5 A L E -A 176 0A 13 -2,-0.3 161,-0.2 316,-0.3 3,-0.1 -0.720 38.2-175.5 -82.3 103.5 24.3 15.1 32.0 16 6 A L E - 0 0 60 159,-2.6 2,-0.3 -2,-1.0 -1,-0.2 0.809 63.3 -21.5 -70.1 -30.9 25.7 12.9 29.2 17 7 A S E -A 175 0A 0 158,-0.8 158,-2.0 316,-0.2 2,-0.4 -0.974 53.4-135.2-168.8 160.4 29.2 14.2 29.5 18 8 A V E -A 174 0A 1 -2,-0.3 2,-0.4 156,-0.2 156,-0.2 -0.987 14.7-167.8-125.8 142.4 31.4 17.1 30.7 19 9 A G E -A 173 0A 1 154,-3.1 154,-1.9 -2,-0.4 2,-0.4 -0.987 7.4-170.8-125.9 141.7 34.3 18.8 28.8 20 10 A A E -A 172 0A 20 -2,-0.4 2,-0.4 152,-0.2 152,-0.2 -0.984 9.7-174.9-135.7 144.4 36.8 21.2 30.3 21 11 A Y E -A 171 0A 41 150,-2.3 150,-2.1 -2,-0.4 47,-0.1 -0.970 1.3-175.9-140.1 120.7 39.5 23.5 29.0 22 12 A R - 0 0 53 -2,-0.4 148,-0.1 148,-0.2 32,-0.1 -0.970 34.8-111.8-113.8 132.2 41.9 25.5 31.0 23 13 A P - 0 0 0 0, 0.0 31,-0.1 0, 0.0 146,-0.1 -0.367 28.9-120.8 -61.6 142.4 44.4 27.9 29.3 24 14 A E S S+ 0 0 180 29,-0.1 2,-0.7 2,-0.1 31,-0.1 0.577 80.6 103.7 -69.3 -13.1 48.0 26.7 29.6 25 15 A R E -J 54 0B 150 29,-0.6 29,-2.0 1,-0.0 2,-0.6 -0.608 59.6-153.3 -78.8 110.3 49.4 29.7 31.4 26 16 A V E -J 53 0B 68 -2,-0.7 2,-0.7 27,-0.2 27,-0.2 -0.737 5.8-163.2 -85.5 116.2 49.9 29.0 35.1 27 17 A V E -J 52 0B 8 25,-3.2 25,-1.9 -2,-0.6 -2,-0.0 -0.890 12.7-153.0-100.4 114.4 49.7 32.1 37.4 28 18 A T E > -J 51 0B 63 -2,-0.7 4,-1.2 23,-0.2 23,-0.2 -0.242 25.2-116.1 -78.5 169.0 51.2 31.4 40.8 29 19 A N H > S+ 0 0 1 21,-0.7 4,-3.1 2,-0.2 5,-0.2 0.917 118.0 55.3 -66.4 -45.2 50.4 33.2 44.1 30 20 A D H 4 S+ 0 0 73 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.796 108.1 48.8 -58.5 -32.9 54.0 34.5 44.2 31 21 A E H >4 S+ 0 0 45 2,-0.2 3,-0.7 1,-0.2 4,-0.3 0.813 113.5 47.1 -73.4 -33.9 53.4 36.0 40.8 32 22 A I H >< S+ 0 0 9 -4,-1.2 3,-0.8 1,-0.2 -2,-0.2 0.859 103.7 61.6 -71.6 -36.9 50.2 37.5 42.0 33 23 A C G >< S+ 0 0 23 -4,-3.1 3,-1.2 1,-0.2 5,-0.3 0.448 80.2 94.3 -69.5 -0.5 51.9 38.7 45.2 34 24 A Q G < S+ 0 0 176 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.957 99.3 21.4 -57.7 -57.7 54.0 40.9 42.9 35 25 A H G < S+ 0 0 40 -3,-0.8 2,-0.3 -4,-0.3 -1,-0.3 -0.239 118.6 82.6-104.9 42.1 51.9 44.0 43.2 36 26 A I S < S- 0 0 26 -3,-1.2 2,-1.1 2,-0.2 123,-0.1 -0.998 74.6-131.9-146.2 141.7 50.3 42.9 46.5 37 27 A D S S+ 0 0 63 -2,-0.3 2,-0.3 2,-0.0 -3,-0.1 -0.591 79.8 79.5 -94.7 70.4 51.3 43.1 50.2 38 28 A S - 0 0 42 -2,-1.1 2,-0.2 -5,-0.3 -2,-0.2 -0.944 68.3-124.0-160.4 167.1 50.5 39.4 51.0 39 29 A S > - 0 0 60 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.576 30.4-101.9-114.1 175.7 52.1 36.0 50.6 40 30 A D H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.939 122.9 50.8 -57.2 -48.1 51.3 32.6 49.0 41 31 A E H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.848 108.0 50.6 -62.0 -41.5 50.6 31.2 52.5 42 32 A W H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.926 114.4 45.1 -61.2 -44.8 48.2 34.1 53.4 43 33 A I H X>S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 6,-0.7 0.859 112.9 49.8 -69.4 -37.9 46.3 33.5 50.1 44 34 A Y H X5S+ 0 0 91 -4,-2.5 4,-1.0 3,-0.2 -1,-0.2 0.856 113.9 43.3 -72.1 -37.1 46.1 29.7 50.4 45 35 A T H <5S+ 0 0 67 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.866 118.2 44.0 -77.8 -37.2 44.8 29.6 54.0 46 36 A R H <5S+ 0 0 133 -4,-1.8 217,-0.2 -5,-0.2 -2,-0.2 0.688 137.4 9.4 -79.3 -19.6 42.2 32.4 53.6 47 37 A T H <5S- 0 0 5 -4,-1.2 215,-2.8 2,-0.2 -3,-0.2 0.643 87.4-124.8-129.7 -32.6 41.0 31.1 50.2 48 38 A G << + 0 0 3 -4,-1.0 2,-0.3 -5,-0.6 -4,-0.2 0.354 65.0 134.6 93.0 -2.4 42.4 27.7 49.4 49 39 A I + 0 0 3 -6,-0.7 -1,-0.3 1,-0.2 236,-0.2 -0.607 23.1 165.8 -84.2 137.0 43.8 28.8 46.1 50 40 A K - 0 0 77 235,-2.2 -21,-0.7 1,-0.6 2,-0.3 0.730 68.5 -8.5-111.4 -59.4 47.4 27.9 45.1 51 41 A T E -J 28 0B 20 234,-1.9 -1,-0.6 -23,-0.2 236,-0.5 -0.867 62.9-167.6-132.2 167.5 47.7 28.6 41.4 52 42 A R E -J 27 0B 0 -25,-1.9 -25,-3.2 -2,-0.3 2,-0.4 -0.939 23.0-105.5-149.1 169.2 45.2 29.6 38.7 53 43 A R E -J 26 0B 67 234,-0.4 116,-1.7 116,-0.3 2,-0.4 -0.846 21.1-165.1-106.5 136.1 45.0 29.9 34.9 54 44 A F E -J 25 0B 28 -29,-2.0 -29,-0.6 -2,-0.4 97,-0.1 -0.953 21.7-128.5-114.0 139.0 45.1 33.1 32.8 55 45 A A - 0 0 17 -2,-0.4 2,-0.2 1,-0.1 -1,-0.0 -0.108 27.3 -92.9 -78.9 176.1 44.1 33.0 29.1 56 46 A A - 0 0 42 1,-0.1 3,-0.5 4,-0.1 -1,-0.1 -0.558 33.7-110.6 -89.2 158.9 46.0 34.3 26.1 57 47 A D S S+ 0 0 164 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.806 119.8 46.5 -58.2 -34.1 45.5 37.8 24.6 58 48 A D S S+ 0 0 147 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.779 98.1 94.2 -79.3 -25.8 43.9 36.4 21.5 59 49 A E + 0 0 32 -3,-0.5 2,-0.3 4,-0.1 3,-0.1 -0.130 52.7 179.9 -65.3 159.2 41.6 34.1 23.5 60 50 A S > - 0 0 45 1,-0.1 4,-2.0 33,-0.0 5,-0.3 -0.937 45.9 -94.7-151.4 169.1 38.1 35.0 24.6 61 51 A A H > S+ 0 0 3 31,-0.5 4,-2.0 -2,-0.3 32,-0.1 0.907 124.6 48.3 -55.5 -42.9 35.1 33.6 26.6 62 52 A A H > S+ 0 0 4 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.925 109.0 49.8 -64.7 -49.8 33.6 32.4 23.3 63 53 A S H > S+ 0 0 51 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.851 114.6 45.5 -59.3 -38.7 36.7 30.7 21.8 64 54 A M H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.878 111.8 52.9 -69.5 -41.3 37.2 28.8 25.1 65 55 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.890 108.2 49.9 -60.0 -43.6 33.5 28.0 25.2 66 56 A T H X S+ 0 0 10 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.912 112.4 49.4 -57.5 -41.9 33.8 26.6 21.6 67 57 A E H X S+ 0 0 56 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.842 108.5 50.7 -70.7 -35.8 36.8 24.6 22.9 68 58 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 105,-0.4 0.837 108.5 54.0 -69.7 -34.5 35.0 23.2 25.9 69 59 A C H X S+ 0 0 0 -4,-1.8 4,-3.4 2,-0.2 5,-0.3 0.941 102.6 54.9 -65.3 -51.2 32.0 22.1 23.8 70 60 A R H X S+ 0 0 106 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.909 110.8 47.1 -46.0 -51.3 34.2 20.0 21.3 71 61 A R H X S+ 0 0 102 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.862 112.9 47.2 -64.2 -42.6 35.6 18.1 24.3 72 62 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.968 112.3 50.2 -62.9 -52.8 32.2 17.5 25.9 73 63 A L H X>S+ 0 0 9 -4,-3.4 5,-3.0 1,-0.2 4,-0.6 0.869 112.2 48.8 -48.0 -43.4 30.8 16.4 22.5 74 64 A S H ><5S+ 0 0 96 -4,-2.4 3,-0.7 -5,-0.3 -1,-0.2 0.876 111.5 48.1 -66.7 -41.3 33.8 14.1 22.2 75 65 A N H 3<5S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.699 110.5 53.8 -69.4 -22.5 33.2 12.7 25.7 76 66 A A H 3<5S- 0 0 28 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.598 110.5-120.0 -85.7 -14.7 29.5 12.2 24.9 77 67 A G T <<5S+ 0 0 68 -3,-0.7 2,-0.3 -4,-0.6 -3,-0.2 0.846 73.3 131.1 68.5 38.4 30.2 10.2 21.7 78 68 A L < - 0 0 50 -5,-3.0 -1,-0.3 -6,-0.2 2,-0.2 -0.886 51.3-143.4-129.3 154.0 28.3 12.9 19.9 79 69 A S > - 0 0 65 -2,-0.3 3,-1.4 -3,-0.1 4,-0.1 -0.639 35.2-108.8-105.5 165.5 28.7 15.2 16.8 80 70 A A G > S+ 0 0 17 1,-0.3 3,-1.2 28,-0.2 29,-0.1 0.759 118.8 67.0 -65.3 -24.0 27.6 18.8 16.4 81 71 A A G 3 S+ 0 0 86 1,-0.2 -1,-0.3 3,-0.0 28,-0.0 0.726 93.8 58.6 -65.3 -23.4 24.9 17.5 14.1 82 72 A D G < S+ 0 0 73 -3,-1.4 2,-0.4 60,-0.0 -1,-0.2 0.414 89.3 92.9 -87.0 -1.5 23.3 15.8 17.2 83 73 A I < - 0 0 4 -3,-1.2 61,-0.2 -4,-0.1 3,-0.1 -0.792 47.6-176.6-100.7 137.8 22.9 19.1 19.1 84 74 A D + 0 0 64 59,-2.6 30,-1.3 -2,-0.4 2,-0.3 0.651 68.4 0.7-105.1 -21.6 19.7 21.2 18.9 85 75 A G E -bc 114 144A 0 58,-0.6 60,-2.4 28,-0.2 2,-0.4 -0.984 55.3-146.5-160.9 164.6 20.7 24.2 20.9 86 76 A V E -bc 115 145A 1 28,-1.8 30,-1.1 -2,-0.3 2,-0.6 -0.985 5.1-162.6-142.2 127.4 23.5 25.8 22.9 87 77 A I E -bc 116 146A 0 58,-2.7 60,-2.7 -2,-0.4 2,-0.6 -0.949 7.5-160.7-108.9 123.3 23.4 28.1 26.0 88 78 A V E -bc 117 147A 0 28,-2.6 30,-2.9 -2,-0.6 2,-0.5 -0.920 3.4-165.6 -99.0 122.0 26.4 30.1 26.8 89 79 A T E +bc 118 148A 0 58,-3.0 60,-2.1 -2,-0.6 2,-0.3 -0.948 28.4 140.0-106.6 124.7 26.6 31.3 30.4 90 80 A T - 0 0 7 28,-1.0 31,-0.2 -2,-0.5 60,-0.2 -0.983 44.8-163.1-157.1 156.6 29.2 34.0 30.9 91 81 A N S S+ 0 0 11 58,-0.4 59,-0.1 -2,-0.3 28,-0.1 0.204 92.2 56.6-125.1 10.1 29.9 37.3 32.7 92 82 A T + 0 0 4 57,-0.4 2,-0.9 339,-0.0 -31,-0.5 -0.112 55.8 127.1-142.5 32.1 32.8 38.2 30.5 93 83 A H - 0 0 24 -32,-0.1 2,-0.5 -33,-0.1 -3,-0.1 -0.886 53.1-150.5 -84.9 106.3 31.7 38.3 26.9 94 84 A F + 0 0 21 -2,-0.9 446,-2.3 445,-0.0 2,-0.4 0.058 65.3 83.6 -81.9 29.3 33.0 41.8 26.3 95 85 A L - 0 0 38 -2,-0.5 5,-0.1 444,-0.2 444,-0.1 -0.998 64.5-150.8-127.5 132.9 30.4 42.8 23.7 96 86 A Q S S+ 0 0 30 -2,-0.4 360,-0.2 1,-0.3 -1,-0.1 0.934 84.1 49.0 -58.6 -46.1 26.9 44.0 24.2 97 87 A T S S+ 0 0 14 -3,-0.1 439,-3.1 1,-0.1 -1,-0.3 -0.979 87.7 36.8-153.2 152.8 26.2 42.3 20.9 98 88 A P S S- 0 0 1 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.556 81.4-123.9 -79.4 164.6 26.4 39.9 19.1 99 89 A P > - 0 0 0 0, 0.0 4,-0.7 0, 0.0 -2,-0.1 -0.374 11.2-126.4 -72.4 157.4 25.9 37.1 21.7 100 90 A A H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.749 96.5 76.6 -75.5 -27.1 28.6 34.4 22.0 101 91 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.919 95.3 45.9 -55.7 -52.8 26.2 31.5 21.6 102 92 A P H > S+ 0 0 1 0, 0.0 4,-3.0 0, 0.0 426,-0.4 0.934 112.0 52.2 -52.6 -51.1 25.7 31.8 17.8 103 93 A M H X S+ 0 0 62 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.854 111.0 47.8 -51.2 -42.4 29.5 32.2 17.3 104 94 A V H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.907 112.7 47.3 -69.7 -44.6 30.2 29.1 19.3 105 95 A A H X>S+ 0 0 0 -4,-2.4 5,-2.0 -5,-0.2 4,-0.7 0.916 112.2 53.5 -58.4 -43.3 27.6 27.1 17.4 106 96 A A H ><5S+ 0 0 9 -4,-3.0 3,-1.3 1,-0.2 5,-0.3 0.950 111.1 41.7 -60.3 -56.3 29.1 28.5 14.2 107 97 A S H 3<5S+ 0 0 63 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.753 107.4 64.1 -66.2 -23.7 32.7 27.4 14.8 108 98 A L H 3<5S- 0 0 19 -4,-1.7 -1,-0.3 -5,-0.2 -28,-0.2 0.654 121.1-104.8 -71.4 -16.6 31.4 24.0 16.2 109 99 A G T <<5S+ 0 0 70 -3,-1.3 2,-0.2 -4,-0.7 -3,-0.2 0.411 100.3 92.5 107.0 2.1 30.0 23.2 12.7 110 100 A A > < + 0 0 16 -5,-2.0 3,-1.3 -6,-0.2 -3,-0.1 -0.602 41.3 164.0-127.2 69.3 26.3 23.8 13.5 111 101 A K T 3 + 0 0 102 -5,-0.3 417,-1.1 1,-0.2 -5,-0.2 0.673 69.8 56.1 -63.5 -22.1 25.6 27.4 12.5 112 102 A G T 3 S+ 0 0 42 415,-0.2 414,-1.1 -7,-0.2 -1,-0.2 0.486 77.8 115.9 -92.5 -5.0 21.8 27.1 12.5 113 103 A I < - 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0 0 10 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.865 53.4-130.5-116.5 147.1 -2.5 26.8 13.2 583 234 B R > - 0 0 135 -2,-0.3 3,-2.6 1,-0.1 4,-0.4 -0.692 29.7-114.2 -88.7 146.2 -3.0 27.6 9.6 584 235 B P G > S+ 0 0 43 0, 0.0 3,-1.2 0, 0.0 26,-0.4 0.836 117.0 58.2 -46.6 -37.7 -1.7 31.0 8.2 585 236 B D G 3 S+ 0 0 81 1,-0.2 24,-0.1 24,-0.2 23,-0.0 0.480 95.8 64.8 -74.9 -1.2 -5.3 32.1 7.6 586 237 B Q G < S+ 0 0 29 -3,-2.6 -1,-0.2 24,-0.0 62,-0.2 0.571 76.5 109.2 -95.5 -11.7 -6.1 31.6 11.3 587 238 B I < - 0 0 0 -3,-1.2 23,-0.4 -4,-0.4 62,-0.2 -0.448 42.4-177.5 -69.4 134.7 -3.8 34.3 12.4 588 239 B D + 0 0 46 60,-2.7 26,-1.9 1,-0.3 2,-0.3 0.689 69.7 24.8-102.5 -28.8 -5.5 37.5 13.7 589 240 B V E -vw 614 649H 0 59,-1.9 61,-2.3 24,-0.2 2,-0.5 -0.997 60.0-154.6-142.9 142.0 -2.3 39.6 14.5 590 241 B F E +vw 615 650H 0 24,-3.3 26,-2.8 -2,-0.3 61,-0.2 -0.959 12.8 177.2-122.6 113.3 1.3 39.7 13.2 591 242 B V E + w 0 651H 0 59,-2.7 61,-1.7 -2,-0.5 2,-0.2 -0.760 11.1 169.5-116.0 80.1 4.0 41.0 15.5 592 243 B P E - w 0 652H 0 0, 0.0 61,-0.2 0, 0.0 59,-0.0 -0.568 52.6 -75.3 -81.1 159.7 7.4 40.7 13.8 593 244 B H - 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