==== 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 31-MAY-05 2CUY . COMPND 2 MOLECULE: MALONYL COA-[ACYL CARRIER PROTEIN] TRANSACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.MISAKI,K.SUZUKI,N.KUNISHIMA,M.SUGAWARA,C.KUROISHI,RIKEN ST . 610 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22628.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 459 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 0 0.0 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 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 249 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 2 3 1 2 3 3 4 1 5 0 0 1 0 1 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 3 2 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 . 1 2 0 1 1 2 2 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 2 2 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 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 0 111 0, 0.0 262,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 155.5 -46.0 27.9 3.1 2 2 A Y - 0 0 1 79,-0.2 81,-2.5 260,-0.1 82,-0.7 -0.950 360.0-113.8-154.3 166.9 -48.0 25.4 1.1 3 3 A A E -ab 84 265A 0 261,-2.0 263,-2.4 -2,-0.3 2,-0.4 -0.906 29.2-132.3-108.0 136.0 -48.9 24.5 -2.4 4 4 A A E -ab 85 266A 0 80,-2.4 82,-2.1 -2,-0.4 2,-0.4 -0.781 23.7-168.6 -91.4 132.0 -52.6 24.9 -3.5 5 5 A L E -ab 86 267A 1 261,-3.1 263,-2.4 -2,-0.4 82,-0.2 -0.968 6.1-158.7-123.1 136.1 -54.0 21.9 -5.4 6 6 A F E -a 87 0A 0 80,-1.6 82,-2.2 -2,-0.4 85,-0.2 -0.959 18.5-125.1-121.3 126.5 -57.3 21.8 -7.3 7 7 A P - 0 0 1 0, 0.0 87,-0.2 0, 0.0 2,-0.1 -0.061 19.7-156.8 -63.2 161.5 -59.2 18.5 -8.1 8 8 A G > - 0 0 5 1,-0.3 3,-1.8 82,-0.1 4,-0.2 -0.369 47.9 -17.5-120.7-160.1 -60.4 17.2 -11.4 9 9 A Q T 3 S+ 0 0 47 1,-0.2 -1,-0.3 79,-0.2 45,-0.0 -0.100 121.9 28.2 -52.4 135.0 -63.1 14.9 -12.7 10 10 A G T 3 S+ 0 0 34 -3,-0.1 -1,-0.2 44,-0.0 44,-0.0 0.150 94.4 92.6 101.4 -16.5 -64.6 12.4 -10.3 11 11 A S < + 0 0 8 -3,-1.8 -2,-0.1 260,-0.1 262,-0.1 0.503 63.2 103.6 -86.8 -3.7 -64.0 14.6 -7.2 12 12 A H + 0 0 20 -4,-0.2 2,-0.3 42,-0.0 258,-0.1 -0.274 43.3 169.7 -73.8 165.0 -67.5 16.2 -7.5 13 13 A R > - 0 0 29 32,-0.1 3,-2.0 46,-0.1 2,-0.2 -0.909 43.5 -91.3-172.0 145.2 -70.4 15.2 -5.3 14 14 A V T 3 S+ 0 0 2 -2,-0.3 32,-0.3 1,-0.3 31,-0.1 -0.478 115.9 34.3 -65.6 133.8 -73.9 16.5 -4.6 15 15 A G T > S+ 0 0 11 30,-3.4 3,-1.9 1,-0.3 4,-0.5 0.204 82.5 155.4 104.1 -12.8 -73.7 19.0 -1.8 16 16 A M T < + 0 0 5 -3,-2.0 -1,-0.3 29,-0.7 254,-0.1 -0.193 69.5 2.2 -51.9 130.0 -70.2 20.2 -2.8 17 17 A G T 3> S+ 0 0 6 274,-0.5 4,-2.3 252,-0.4 -1,-0.3 0.282 97.1 111.4 77.9 -11.1 -69.5 23.7 -1.6 18 18 A R H <> S+ 0 0 59 -3,-1.9 4,-2.0 2,-0.2 5,-0.2 0.918 75.3 49.6 -62.5 -46.6 -72.8 24.2 0.3 19 19 A A H > S+ 0 0 33 -4,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.942 114.8 44.4 -59.4 -48.6 -71.3 24.2 3.8 20 20 A L H > S+ 0 0 2 271,-0.4 4,-2.1 1,-0.2 8,-0.3 0.889 108.3 59.4 -62.1 -39.4 -68.7 26.8 2.9 21 21 A Y H < S+ 0 0 43 -4,-2.3 7,-0.2 1,-0.2 -1,-0.2 0.900 109.9 42.7 -55.3 -42.3 -71.3 28.8 1.0 22 22 A E H < S+ 0 0 137 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.770 121.8 39.1 -77.8 -24.6 -73.3 29.1 4.3 23 23 A A H < S+ 0 0 65 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.498 111.0 57.6-104.9 -4.7 -70.2 29.8 6.5 24 24 A S X - 0 0 4 -4,-2.1 4,-2.7 -5,-0.1 -1,-0.2 -0.952 54.0-161.8-136.1 118.8 -68.2 32.1 4.2 25 25 A P H > S+ 0 0 91 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.840 99.7 52.5 -59.7 -34.8 -69.2 35.4 2.6 26 26 A A H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.921 109.9 45.6 -68.4 -46.9 -66.3 35.0 0.2 27 27 A A H > S+ 0 0 0 -7,-0.3 4,-2.6 1,-0.2 5,-0.3 0.923 110.6 56.1 -62.8 -41.3 -67.4 31.5 -0.9 28 28 A K H X S+ 0 0 92 -4,-2.7 4,-2.3 -8,-0.3 -1,-0.2 0.904 107.5 48.2 -56.2 -43.8 -70.9 32.8 -1.2 29 29 A E H X S+ 0 0 110 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.930 111.1 49.3 -64.0 -48.1 -69.8 35.5 -3.6 30 30 A V H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.960 114.4 45.5 -55.1 -53.5 -67.8 33.2 -5.8 31 31 A L H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.854 111.5 51.1 -61.7 -38.6 -70.7 30.7 -6.0 32 32 A D H X S+ 0 0 48 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.939 109.0 51.5 -64.8 -44.4 -73.3 33.3 -6.7 33 33 A R H X S+ 0 0 71 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.881 109.1 52.5 -57.0 -37.3 -71.1 34.7 -9.5 34 34 A A H X S+ 0 0 0 -4,-1.9 4,-3.0 -5,-0.2 -1,-0.2 0.892 108.0 50.0 -65.5 -40.8 -71.0 31.1 -10.8 35 35 A E H < S+ 0 0 50 -4,-2.1 6,-0.3 2,-0.2 -2,-0.2 0.957 110.7 48.9 -61.3 -53.0 -74.8 30.9 -10.7 36 36 A A H < S+ 0 0 80 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.893 114.6 46.3 -53.7 -43.5 -75.2 34.1 -12.6 37 37 A A H < S+ 0 0 22 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.924 130.6 19.5 -67.0 -47.3 -72.6 32.9 -15.2 38 38 A L S >< S- 0 0 13 -4,-3.0 3,-2.0 -5,-0.1 -1,-0.3 -0.730 87.0-145.1-127.1 81.9 -74.1 29.4 -15.6 39 39 A P T 3 S+ 0 0 101 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.117 84.3 27.1 -47.7 135.7 -77.8 29.4 -14.4 40 40 A G T 3> S+ 0 0 34 3,-0.0 4,-1.8 4,-0.0 5,-0.2 0.289 85.3 116.0 93.5 -9.5 -78.8 26.2 -12.8 41 41 A L H <> S+ 0 0 0 -3,-2.0 4,-2.4 -6,-0.3 5,-0.2 0.936 74.2 48.8 -56.9 -52.4 -75.2 25.3 -11.7 42 42 A L H > S+ 0 0 16 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.868 107.0 55.4 -58.6 -39.7 -75.9 25.5 -7.9 43 43 A K H >>S+ 0 0 84 1,-0.2 4,-2.7 2,-0.2 5,-0.6 0.945 110.6 46.0 -59.9 -45.7 -79.0 23.3 -8.2 44 44 A L H X5S+ 0 0 32 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.909 115.3 47.5 -61.6 -42.5 -76.9 20.6 -9.9 45 45 A M H <5S+ 0 0 1 -4,-2.4 -30,-3.4 -5,-0.2 -29,-0.7 0.868 121.0 34.0 -68.0 -37.8 -74.2 21.0 -7.3 46 46 A W H <5S+ 0 0 43 -4,-3.0 -2,-0.2 -32,-0.3 -3,-0.2 0.681 135.6 11.9 -97.8 -21.4 -76.4 20.9 -4.2 47 47 A E H <5S+ 0 0 72 -4,-2.7 3,-0.2 -5,-0.3 -3,-0.2 0.360 90.1 170.4-138.9 10.2 -79.3 18.5 -5.0 48 48 A G << - 0 0 1 -4,-1.0 -1,-0.3 -5,-0.6 2,-0.1 -0.381 60.0-122.9 74.3-145.7 -78.3 16.7 -8.2 49 49 A P > - 0 0 18 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.462 40.6-143.2 -55.5 147.4 -79.4 14.5 -9.6 50 50 A E H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.895 100.8 55.6 -60.8 -28.3 -75.8 13.2 -9.0 51 51 A E H > S+ 0 0 56 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.927 108.4 47.2 -64.3 -44.2 -76.0 11.6 -12.5 52 52 A A H >4 S+ 0 0 4 -3,-0.2 3,-0.7 1,-0.2 -2,-0.2 0.877 112.2 49.7 -65.7 -37.5 -76.8 15.0 -14.0 53 53 A L H 3< S+ 0 0 0 -4,-2.5 6,-0.4 1,-0.2 -1,-0.2 0.870 103.8 61.6 -67.7 -36.6 -74.0 16.6 -12.0 54 54 A T H 3< S+ 0 0 36 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.654 74.1 115.0 -65.7 -18.7 -71.7 13.9 -13.2 55 55 A L S XX S- 0 0 11 -3,-0.7 4,-3.0 -4,-0.6 3,-2.8 -0.356 77.8-125.2 -55.1 129.0 -72.2 14.9 -16.8 56 56 A T H 3> S+ 0 0 9 1,-0.3 4,-2.0 2,-0.2 60,-0.2 0.857 108.6 55.8 -46.9 -42.3 -68.8 16.1 -17.9 57 57 A E H 34 S+ 0 0 44 58,-0.3 -1,-0.3 1,-0.2 59,-0.1 0.611 117.3 34.4 -72.7 -8.8 -70.1 19.5 -19.0 58 58 A N H <> S+ 0 0 15 -3,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.773 113.3 57.7-105.7 -44.8 -71.6 20.1 -15.5 59 59 A Q H X S+ 0 0 8 -4,-3.0 4,-2.6 -6,-0.4 5,-0.2 0.882 103.3 53.9 -51.8 -48.5 -69.0 18.4 -13.4 60 60 A Q H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.941 111.9 40.5 -59.9 -51.6 -66.2 20.6 -14.7 61 61 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.871 114.0 56.5 -66.8 -30.8 -67.6 24.0 -14.0 62 62 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.947 108.2 46.2 -62.1 -49.0 -69.0 22.7 -10.7 63 63 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.860 113.1 49.3 -63.2 -38.3 -65.5 21.6 -9.5 64 64 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 5,-0.3 0.947 112.0 47.4 -68.3 -46.5 -63.9 24.9 -10.6 65 65 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.895 115.5 46.2 -60.7 -41.0 -66.5 27.0 -8.9 66 66 A A H X S+ 0 0 2 -4,-2.4 4,-2.8 -5,-0.2 203,-0.2 0.903 112.3 50.5 -68.5 -43.3 -66.2 24.9 -5.7 67 67 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 202,-0.2 0.968 114.3 42.7 -59.7 -53.2 -62.4 25.0 -5.8 68 68 A Y H X S+ 0 0 31 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.894 113.6 53.7 -61.4 -38.5 -62.2 28.8 -6.2 69 69 A A H X S+ 0 0 2 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.952 109.9 46.1 -60.4 -50.3 -64.9 29.2 -3.6 70 70 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.886 112.5 52.0 -60.5 -39.7 -63.1 27.1 -1.0 71 71 A Y H X S+ 0 0 6 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.942 110.9 45.8 -62.7 -48.4 -59.8 29.0 -1.8 72 72 A R H X S+ 0 0 82 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.872 110.1 54.8 -63.4 -36.9 -61.4 32.4 -1.3 73 73 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.920 108.2 50.5 -61.4 -41.3 -63.1 31.2 1.9 74 74 A F H <>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 -2,-0.2 0.910 111.8 45.6 -62.5 -46.2 -59.6 30.2 3.1 75 75 A L H ><5S+ 0 0 48 -4,-2.2 3,-2.1 3,-0.2 -2,-0.2 0.942 111.3 53.5 -64.0 -45.5 -58.1 33.6 2.3 76 76 A E H 3<5S+ 0 0 89 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.877 103.6 55.9 -56.5 -39.4 -61.1 35.4 3.9 77 77 A A T 3<5S- 0 0 34 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.428 134.2 -88.8 -75.4 3.7 -60.5 33.4 7.1 78 78 A G T < 5S+ 0 0 42 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.2 0.494 80.3 143.7 104.7 3.0 -57.0 34.7 7.2 79 79 A G < - 0 0 9 -5,-2.8 -1,-0.3 -6,-0.2 221,-0.1 -0.417 45.7-124.5 -73.4 154.8 -55.2 32.1 5.2 80 80 A K - 0 0 107 1,-0.1 -1,-0.1 -2,-0.1 -5,-0.0 -0.633 28.3 -95.3 -97.5 158.1 -52.3 33.2 3.0 81 81 A P - 0 0 38 0, 0.0 -79,-0.2 0, 0.0 -1,-0.1 -0.210 51.2 -93.9 -64.6 164.7 -52.0 32.6 -0.8 82 82 A P - 0 0 6 0, 0.0 -79,-0.2 0, 0.0 3,-0.1 -0.398 13.6-134.2 -80.2 158.1 -49.9 29.6 -1.9 83 83 A A S S+ 0 0 40 -81,-2.5 2,-0.3 1,-0.3 -80,-0.2 0.861 94.2 1.3 -74.2 -36.6 -46.3 29.6 -2.8 84 84 A L E S-a 3 0A 9 -82,-0.7 -80,-2.4 135,-0.1 2,-0.3 -0.962 71.4-153.9-146.6 159.4 -47.2 27.5 -5.8 85 85 A A E +ac 4 221A 0 135,-1.9 137,-3.0 -2,-0.3 2,-0.3 -0.960 13.5 167.7-140.6 156.3 -50.3 26.0 -7.4 86 86 A A E -a 5 0A 0 -82,-2.1 -80,-1.6 -2,-0.3 2,-0.3 -0.969 12.7-157.3-158.4 162.8 -51.4 23.1 -9.6 87 87 A G E -a 6 0A 0 -2,-0.3 2,-0.8 135,-0.2 5,-0.4 -0.993 25.8-115.3-149.8 144.4 -54.6 21.4 -10.7 88 88 A H S > S- 0 0 21 -82,-2.2 3,-2.5 -2,-0.3 2,-0.5 -0.731 74.1 -58.9 -85.8 109.4 -55.4 17.9 -12.0 89 89 A S T >> S+ 0 0 9 -2,-0.8 3,-1.8 1,-0.3 4,-0.6 -0.390 143.2 21.5 57.7-106.6 -56.7 18.3 -15.6 90 90 A L H >> S+ 0 0 0 -2,-0.5 3,-1.3 1,-0.3 4,-1.1 0.860 119.7 69.3 -54.7 -34.4 -59.8 20.5 -15.1 91 91 A G H <> S+ 0 0 0 -3,-2.5 4,-2.3 1,-0.3 -1,-0.3 0.723 83.7 67.7 -58.1 -25.2 -58.1 21.6 -11.9 92 92 A E H <> S+ 0 0 2 -3,-1.8 4,-1.9 -5,-0.4 -1,-0.3 0.870 99.3 51.4 -64.6 -35.6 -55.4 23.4 -13.7 93 93 A W H S+ 0 0 1 -4,-1.9 5,-2.6 2,-0.2 6,-1.0 0.852 108.3 49.7 -65.6 -34.0 -55.3 29.7 -12.9 97 97 A V H ><5S+ 0 0 3 -4,-1.9 3,-1.3 3,-0.2 -1,-0.2 0.937 110.8 51.2 -67.7 -44.4 -58.5 31.4 -11.7 98 98 A A H 3<5S+ 0 0 10 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.889 111.0 47.7 -56.7 -41.3 -57.1 31.3 -8.2 99 99 A A T 3<5S- 0 0 3 -4,-2.4 119,-3.2 -5,-0.2 -1,-0.3 0.501 117.0-114.0 -79.5 -5.4 -53.9 32.9 -9.4 100 100 A G T < 5S+ 0 0 36 -3,-1.3 -3,-0.2 -4,-0.4 115,-0.1 0.626 82.7 121.6 81.7 14.7 -55.8 35.6 -11.4 101 101 A T S - 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k 0 393C 0 80,-1.9 82,-2.1 -2,-0.4 85,-0.2 -0.969 19.1-123.2-120.5 128.1 -79.2 3.6 2.8 313 7 B P - 0 0 1 0, 0.0 87,-0.1 0, 0.0 2,-0.1 -0.170 21.7-161.3 -66.9 157.2 -77.0 4.3 -0.3 314 8 B G > - 0 0 3 1,-0.3 3,-1.7 82,-0.2 81,-0.1 -0.287 49.3 -18.4-117.3-156.8 -75.6 1.7 -2.7 315 9 B Q T 3 S+ 0 0 55 1,-0.2 -1,-0.3 79,-0.2 45,-0.0 -0.139 122.5 33.2 -52.1 138.7 -72.9 1.7 -5.3 316 10 B G T 3 S+ 0 0 40 -3,-0.1 -1,-0.2 44,-0.1 44,-0.0 0.175 93.2 89.4 100.7 -17.8 -71.7 5.1 -6.5 317 11 B S < + 0 0 8 -3,-1.7 -2,-0.1 260,-0.1 2,-0.1 0.342 68.4 100.2 -93.3 7.1 -72.2 6.9 -3.2 318 12 B H + 0 0 31 -4,-0.1 2,-0.3 4,-0.1 47,-0.0 -0.377 42.8 162.8 -87.4 168.6 -68.7 6.1 -2.0 319 13 B R > - 0 0 47 -2,-0.1 3,-2.2 32,-0.1 2,-0.1 -0.901 48.2 -81.3-178.8 152.0 -65.7 8.4 -2.0 320 14 B V T 3 S+ 0 0 6 -2,-0.3 -48,-0.4 1,-0.3 32,-0.3 -0.459 120.2 30.3 -62.3 130.4 -62.2 8.7 -0.5 321 15 B G T > S+ 0 0 1 30,-2.7 3,-2.0 1,-0.3 4,-0.5 0.261 84.1 156.2 101.9 -11.2 -62.8 10.3 2.9 322 16 B M T < + 0 0 1 -3,-2.2 -1,-0.3 29,-0.7 254,-0.1 -0.189 68.9 4.9 -53.0 133.8 -66.2 8.7 3.4 323 17 B G T 3> S+ 0 0 10 252,-0.3 4,-1.9 274,-0.3 -1,-0.3 0.365 96.1 112.5 74.0 -5.6 -67.3 8.3 7.1 324 18 B R H <> S+ 0 0 55 -3,-2.0 4,-1.9 2,-0.2 5,-0.2 0.928 71.4 54.7 -65.1 -46.0 -64.2 10.1 8.4 325 19 B A H > S+ 0 0 32 -4,-0.5 4,-1.0 1,-0.2 3,-0.2 0.944 114.1 39.5 -52.2 -56.2 -66.1 13.2 9.7 326 20 B L H > S+ 0 0 6 271,-0.5 4,-3.4 1,-0.2 8,-0.4 0.861 107.7 66.1 -63.4 -36.9 -68.5 11.2 11.9 327 21 B Y H < S+ 0 0 38 -4,-1.9 7,-0.3 1,-0.2 -1,-0.2 0.927 110.7 33.2 -50.7 -51.7 -65.7 8.8 12.9 328 22 B E H < S+ 0 0 138 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.601 123.7 46.3 -84.8 -9.3 -63.8 11.5 14.8 329 23 B A H < S+ 0 0 60 -4,-1.0 -2,-0.2 -3,-0.4 -3,-0.2 0.751 112.3 45.9-101.0 -29.4 -66.9 13.4 16.0 330 24 B S X - 0 0 14 -4,-3.4 4,-3.2 -5,-0.2 -1,-0.2 -0.945 57.0-160.6-125.1 117.0 -69.1 10.5 17.2 331 25 B P H > S+ 0 0 103 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.866 97.6 55.6 -58.0 -37.6 -67.9 7.6 19.4 332 26 B A H > S+ 0 0 16 1,-0.2 4,-1.3 2,-0.2 47,-0.1 0.952 113.7 40.1 -60.7 -47.7 -70.9 5.5 18.3 333 27 B A H > S+ 0 0 0 -7,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 112.3 57.0 -67.4 -41.1 -69.9 5.9 14.6 334 28 B K H X S+ 0 0 77 -4,-3.2 4,-1.5 -8,-0.4 -1,-0.2 0.873 108.1 46.7 -58.3 -40.3 -66.2 5.5 15.4 335 29 B E H X S+ 0 0 105 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.775 106.3 56.5 -76.5 -27.8 -66.7 2.1 17.0 336 30 B V H X S+ 0 0 5 -4,-1.3 4,-1.7 -5,-0.2 -2,-0.2 0.969 112.0 44.6 -64.7 -48.8 -68.9 0.8 14.2 337 31 B L H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.794 110.9 52.3 -64.2 -32.7 -66.1 1.6 11.8 338 32 B D H X S+ 0 0 40 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.828 110.0 50.2 -72.6 -31.0 -63.4 0.1 14.1 339 33 B R H X S+ 0 0 101 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.830 109.8 51.3 -71.0 -33.6 -65.5 -3.0 14.2 340 34 B A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.886 109.5 48.7 -69.4 -40.7 -65.6 -2.9 10.4 341 35 B E H < S+ 0 0 59 -4,-2.1 6,-0.2 1,-0.2 -2,-0.2 0.862 109.5 54.5 -66.4 -35.9 -61.9 -2.6 10.2 342 36 B A H < S+ 0 0 76 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.905 113.6 40.0 -64.4 -43.2 -61.6 -5.5 12.7 343 37 B A H < S+ 0 0 23 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.882 129.9 29.2 -74.3 -38.6 -63.7 -7.7 10.4 344 38 B L S >< S- 0 0 13 -4,-2.6 3,-2.4 -5,-0.1 -1,-0.2 -0.590 87.0-146.6-125.0 71.0 -62.2 -6.5 7.2 345 39 B P T 3 S+ 0 0 99 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.016 83.8 22.6 -37.0 129.0 -58.6 -5.5 7.8 346 40 B G T 3> S+ 0 0 23 -5,-0.1 4,-2.0 3,-0.0 5,-0.2 0.198 85.7 115.2 95.9 -16.6 -57.6 -2.6 5.6 347 41 B L H <> S+ 0 0 0 -3,-2.4 4,-2.8 1,-0.2 5,-0.2 0.921 75.9 50.5 -51.9 -51.7 -61.1 -1.3 4.9 348 42 B L H > S+ 0 0 14 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.873 107.3 54.6 -57.0 -39.8 -60.6 2.0 6.7 349 43 B K H >>S+ 0 0 131 2,-0.2 4,-3.0 1,-0.2 5,-1.6 0.940 111.4 44.8 -60.4 -47.1 -57.4 2.6 4.7 350 44 B L H <5S+ 0 0 33 -4,-2.0 4,-0.3 3,-0.2 -2,-0.2 0.930 114.3 49.1 -61.9 -47.4 -59.3 2.1 1.4 351 45 B M H <5S+ 0 0 0 -4,-2.8 -30,-2.7 -5,-0.2 -29,-0.7 0.899 125.9 26.3 -60.1 -42.0 -62.2 4.3 2.6 352 46 B W H <5S+ 0 0 56 -4,-2.9 -2,-0.2 -32,-0.3 -3,-0.2 0.903 137.2 20.0 -92.4 -44.2 -59.9 7.1 3.7 353 47 B E T <5S+ 0 0 101 -4,-3.0 3,-0.2 -5,-0.4 -3,-0.2 0.730 90.4 162.2 -98.7 -25.9 -56.7 7.0 1.7 354 48 B G < - 0 0 3 -5,-1.6 -1,-0.3 -4,-0.3 2,-0.2 -0.681 59.2-124.5 88.2-144.0 -57.8 4.9 -1.3 355 49 B P >> - 0 0 27 0, 0.0 4,-1.7 0, 0.0 3,-0.6 0.467 41.7-133.9 -56.9 150.5 -56.5 4.6 -4.0 356 50 B E H 3> S+ 0 0 45 1,-0.2 4,-2.2 -3,-0.2 3,-0.2 0.869 101.8 50.8 -50.2 -49.1 -59.9 5.7 -5.3 357 51 B E H 3> S+ 0 0 16 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.843 108.4 54.0 -61.6 -34.0 -60.2 3.0 -8.0 358 52 B A H <4 S+ 0 0 11 -3,-0.6 3,-0.3 1,-0.2 -1,-0.2 0.868 109.2 47.5 -67.0 -38.0 -59.4 0.4 -5.4 359 53 B L H < S+ 0 0 0 -4,-1.7 6,-0.3 1,-0.2 -2,-0.2 0.852 106.3 59.1 -71.4 -34.4 -62.2 1.7 -3.2 360 54 B T H < S+ 0 0 42 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.750 77.8 108.0 -66.5 -24.4 -64.5 1.7 -6.3 361 55 B L S >X S- 0 0 28 -4,-1.0 4,-3.0 -3,-0.3 3,-2.7 -0.372 81.0-124.8 -55.5 128.0 -63.9 -2.1 -6.8 362 56 B T H 3> S+ 0 0 12 1,-0.3 4,-2.1 2,-0.2 60,-0.2 0.775 106.9 61.1 -48.1 -36.6 -67.2 -3.6 -5.7 363 57 B E H 34 S+ 0 0 42 58,-0.4 -1,-0.3 1,-0.2 59,-0.2 0.633 118.5 29.2 -70.0 -11.5 -65.7 -5.9 -3.1 364 58 B N H <> S+ 0 0 19 -3,-2.7 4,-2.4 -6,-0.2 -2,-0.2 0.739 116.6 57.7-109.1 -45.1 -64.4 -2.9 -1.3 365 59 B Q H X S+ 0 0 8 -4,-3.0 4,-2.2 -6,-0.3 -3,-0.2 0.842 105.2 50.9 -54.8 -41.7 -67.1 -0.4 -2.2 366 60 B Q H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.941 112.0 43.6 -69.3 -46.3 -69.9 -2.5 -0.8 367 61 B P H > S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.937 114.6 52.5 -62.7 -42.5 -68.4 -3.2 2.7 368 62 B A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.914 110.7 46.3 -57.8 -46.0 -67.4 0.5 2.9 369 63 B L H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.874 113.4 48.6 -66.7 -38.2 -70.8 1.7 2.1 370 64 B L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.947 112.8 48.4 -67.9 -44.8 -72.5 -0.7 4.5 371 65 B A H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.916 114.6 44.3 -60.2 -47.8 -70.0 0.3 7.3 372 66 B A H X S+ 0 0 3 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.905 113.9 52.1 -63.7 -43.0 -70.5 4.1 6.8 373 67 B G H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.965 113.4 40.9 -58.0 -56.9 -74.2 3.6 6.5 374 68 B Y H X S+ 0 0 28 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.852 113.7 55.4 -60.8 -36.7 -74.6 1.7 9.8 375 69 B A H X S+ 0 0 3 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.918 108.3 47.0 -63.6 -45.0 -72.1 4.0 11.5 376 70 B A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.914 113.1 49.9 -62.9 -42.4 -74.1 7.1 10.6 377 71 B Y H X S+ 0 0 5 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.926 111.6 47.4 -62.5 -45.1 -77.3 5.4 11.8 378 72 B R H X S+ 0 0 66 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.910 108.8 54.9 -63.2 -41.1 -75.7 4.3 15.1 379 73 B A H X S+ 0 0 2 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.917 110.3 47.8 -56.6 -42.9 -74.3 7.9 15.6 380 74 B F H <>S+ 0 0 0 -4,-2.0 5,-2.6 2,-0.2 -2,-0.2 0.902 113.6 45.3 -66.0 -44.6 -77.9 9.1 15.2 381 75 B L H ><5S+ 0 0 39 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.931 110.0 52.9 -67.5 -45.6 -79.5 6.6 17.6 382 76 B E H 3<5S+ 0 0 121 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.822 104.1 58.8 -60.1 -30.0 -76.9 7.1 20.3 383 77 B A T 3<5S- 0 0 43 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.329 132.9 -90.6 -82.1 9.4 -77.5 10.8 20.1 384 78 B G T < 5S+ 0 0 32 -3,-2.1 227,-2.3 1,-0.3 -3,-0.2 0.486 75.9 152.3 97.8 2.0 -81.2 10.2 21.0 385 79 B G B < -O 610 0D 8 -5,-2.6 -1,-0.3 225,-0.2 225,-0.2 -0.309 44.6-116.7 -64.9 151.5 -82.5 9.8 17.5 386 80 B K - 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