==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 12-JAN-12 4DAI . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR D.HAMMOUDEH,R.E.LEE,S.W.WHITE . 518 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 383 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 2.1 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 . 2 0.4 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 . 42 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 2 0 2 4 0 0 2 0 2 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 8 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 2 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 K 0 0 234 0, 0.0 2,-0.3 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 131.9 -33.8 28.0 -11.0 2 3 A W - 0 0 53 1,-0.1 14,-0.0 2,-0.1 13,-0.0 -0.645 360.0-152.5 -85.3 141.9 -32.7 24.5 -10.0 3 4 A D S S+ 0 0 147 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.055 75.0 43.7-101.1 24.9 -34.7 21.6 -11.4 4 5 A Y S S- 0 0 37 164,-0.0 11,-0.5 2,-0.0 2,-0.3 -0.983 73.9-119.1-160.0 164.4 -33.9 19.3 -8.5 5 6 A D E -A 14 0A 73 -2,-0.3 2,-0.9 9,-0.1 9,-0.2 -0.788 34.2-106.2-109.4 154.1 -33.5 19.0 -4.8 6 7 A L E -A 13 0A 2 7,-3.2 7,-2.4 -2,-0.3 2,-0.7 -0.695 37.7-148.5 -78.7 107.8 -30.5 18.2 -2.7 7 8 A R E +A 12 0A 120 -2,-0.9 2,-0.3 5,-0.2 5,-0.2 -0.725 25.2 170.2 -84.5 113.2 -31.3 14.6 -1.6 8 9 A C E > -A 11 0A 2 3,-2.3 3,-1.8 -2,-0.7 2,-0.2 -0.560 50.5-103.1-120.4 65.7 -29.8 14.0 1.8 9 10 A G T 3 S+ 0 0 54 -2,-0.3 -1,-0.3 1,-0.3 97,-0.0 -0.346 108.1 12.7 56.2-116.6 -31.2 10.6 2.9 10 11 A E T 3 S+ 0 0 137 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.875 131.2 50.8 -57.5 -42.2 -33.9 11.5 5.5 11 12 A Y E < -A 8 0A 33 -3,-1.8 -3,-2.3 -4,-0.0 2,-0.4 -0.681 66.4-154.6-103.9 155.1 -34.0 15.2 4.7 12 13 A T E -A 7 0A 66 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.986 7.5-153.0-129.9 122.2 -34.2 17.0 1.4 13 14 A L E -A 6 0A 15 -7,-2.4 -7,-3.2 -2,-0.4 2,-0.5 -0.832 10.0-145.3 -98.5 122.4 -32.8 20.5 0.9 14 15 A N E -A 5 0A 41 -2,-0.6 4,-0.4 -9,-0.2 -9,-0.1 -0.741 2.9-157.7 -86.4 128.8 -34.5 22.7 -1.8 15 16 A L S S+ 0 0 6 -11,-0.5 -1,-0.1 -2,-0.5 -13,-0.1 0.286 81.0 52.7 -89.7 12.6 -32.1 25.0 -3.6 16 17 A N S S+ 0 0 44 -15,-0.1 -1,-0.1 3,-0.0 3,-0.1 0.751 92.5 58.9-118.5 -31.4 -34.6 27.5 -4.7 17 18 A E S S- 0 0 126 1,-0.2 2,-0.3 -3,-0.0 -2,-0.1 0.847 116.1 -16.4 -72.5 -31.3 -36.8 28.9 -1.9 18 19 A K S S- 0 0 79 -4,-0.4 2,-0.4 245,-0.1 -1,-0.2 -0.985 75.4 -79.6-163.9 168.6 -34.0 30.3 0.2 19 20 A T - 0 0 3 -2,-0.3 2,-0.5 235,-0.1 222,-0.2 -0.656 49.9-127.5 -78.1 126.2 -30.3 30.4 0.9 20 21 A L E -b 241 0B 4 220,-2.7 222,-1.6 -2,-0.4 2,-0.6 -0.667 17.4-143.8 -81.9 120.7 -29.4 27.3 3.0 21 22 A I E -b 242 0B 3 -2,-0.5 36,-3.5 34,-0.4 37,-1.4 -0.723 10.3-164.3 -88.3 120.2 -27.5 28.1 6.2 22 23 A M E -bc 243 58B 2 220,-2.2 222,-2.0 -2,-0.6 2,-0.4 -0.916 12.6-151.2-104.3 115.9 -24.8 25.6 7.2 23 24 A G E -bc 244 59B 0 35,-2.7 37,-2.9 -2,-0.6 2,-0.6 -0.739 12.0-128.1 -91.5 133.5 -23.8 26.1 10.9 24 25 A I E - c 0 60B 16 220,-2.0 37,-0.1 -2,-0.4 2,-0.1 -0.692 25.5-131.3 -82.0 117.5 -20.2 25.3 12.0 25 26 A L - 0 0 6 35,-2.5 2,-1.2 -2,-0.6 37,-0.3 -0.436 16.8-120.8 -70.2 142.2 -20.4 23.0 15.1 26 27 A N - 0 0 89 18,-0.2 2,-0.6 17,-0.2 21,-0.1 -0.655 31.5-174.1 -87.8 88.0 -18.2 24.0 18.0 27 28 A V + 0 0 52 -2,-1.2 14,-0.1 1,-0.0 13,-0.0 -0.729 7.8 174.7 -86.7 117.2 -15.8 21.1 18.6 28 29 A T - 0 0 96 -2,-0.6 15,-0.1 12,-0.1 16,-0.1 -0.791 30.3-131.3-123.6 86.4 -13.7 21.6 21.8 29 30 A P - 0 0 73 0, 0.0 2,-0.4 0, 0.0 5,-0.1 0.011 14.7-130.0 -40.5 130.5 -11.6 18.4 22.4 30 31 A D > - 0 0 40 7,-0.0 3,-0.9 3,-0.0 7,-0.1 -0.727 20.2-129.8 -86.3 128.9 -11.7 17.1 26.0 31 32 A S T 3 S+ 0 0 94 -2,-0.4 3,-0.1 1,-0.2 4,-0.1 -0.303 94.7 33.0 -71.6 165.2 -8.3 16.3 27.5 32 33 A F T 3 S+ 0 0 223 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.684 108.9 99.9 60.5 15.2 -7.8 12.9 29.0 33 34 A S < - 0 0 26 -3,-0.9 -1,-0.2 1,-0.1 3,-0.1 -0.992 61.1-162.1-139.4 131.4 -10.2 11.8 26.3 34 35 A D S S- 0 0 101 -2,-0.4 -1,-0.1 1,-0.2 2,-0.1 0.685 78.5 -67.7 -77.5 -20.1 -9.7 10.1 22.9 35 36 A G S S+ 0 0 20 -4,-0.1 -1,-0.2 36,-0.1 36,-0.1 -0.156 108.9 69.7 134.5 130.7 -13.2 11.3 22.1 36 37 A G + 0 0 15 1,-0.3 261,-2.6 35,-0.1 262,-0.2 0.245 55.0 146.5 124.1 -13.3 -16.7 10.5 23.4 37 38 A S B > -J 296 0C 16 259,-0.2 4,-1.8 1,-0.1 5,-0.3 -0.103 60.3-113.3 -54.4 154.0 -16.7 11.9 26.9 38 39 A Y H > S+ 0 0 13 257,-2.8 4,-2.3 1,-0.2 5,-0.3 0.879 114.4 55.2 -57.6 -40.9 -20.0 13.4 28.2 39 40 A N H > S+ 0 0 89 256,-0.2 4,-2.6 2,-0.2 5,-0.3 0.961 110.3 43.4 -57.5 -57.2 -18.5 16.9 28.2 40 41 A E H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.977 119.3 40.0 -51.3 -68.9 -17.5 17.0 24.6 41 42 A V H X S+ 0 0 1 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.817 116.6 51.0 -55.4 -35.6 -20.5 15.4 23.0 42 43 A D H X S+ 0 0 33 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.951 109.9 47.6 -69.4 -48.8 -23.0 17.2 25.3 43 44 A A H X S+ 0 0 56 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.884 112.8 52.7 -58.2 -37.3 -21.5 20.7 24.6 44 45 A A H X S+ 0 0 2 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.881 108.2 48.4 -65.6 -40.6 -21.6 19.7 20.9 45 46 A V H X S+ 0 0 3 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.841 107.8 56.1 -70.0 -32.4 -25.4 18.7 21.1 46 47 A R H X S+ 0 0 154 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.904 111.5 43.4 -66.1 -39.2 -26.1 22.0 22.9 47 48 A H H X S+ 0 0 31 -4,-1.7 4,-3.3 2,-0.2 5,-0.4 0.954 112.2 51.2 -70.5 -50.1 -24.6 23.9 20.0 48 49 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.935 114.4 45.2 -50.6 -49.9 -26.2 21.8 17.3 49 50 A K H X S+ 0 0 78 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.870 112.8 51.8 -61.7 -40.3 -29.6 22.4 19.0 50 51 A E H X S+ 0 0 90 -4,-1.9 4,-1.0 2,-0.2 3,-0.4 0.955 111.2 44.8 -62.6 -52.5 -28.9 26.1 19.4 51 52 A M H ><>S+ 0 0 0 -4,-3.3 5,-2.2 1,-0.3 3,-0.7 0.887 109.4 58.0 -59.7 -39.2 -27.9 26.7 15.8 52 53 A R H ><5S+ 0 0 85 -4,-2.3 3,-0.7 -5,-0.4 -1,-0.3 0.878 106.4 49.3 -58.8 -37.2 -30.9 24.6 14.8 53 54 A D H 3<5S+ 0 0 114 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.675 110.8 49.6 -77.4 -18.3 -33.1 27.1 16.8 54 55 A E T <<5S- 0 0 56 -4,-1.0 197,-0.2 -3,-0.7 -1,-0.2 0.315 131.4 -72.3-105.6 11.7 -31.6 30.2 15.2 55 56 A G T < 5S+ 0 0 27 -3,-0.7 -34,-0.4 -4,-0.5 -3,-0.2 0.323 74.6 145.9 126.0 -11.8 -31.8 29.2 11.5 56 57 A A < - 0 0 7 -5,-2.2 -1,-0.2 1,-0.1 -34,-0.2 -0.176 22.4-176.5 -60.1 152.1 -29.4 26.5 10.5 57 58 A H S S+ 0 0 33 -36,-3.5 2,-0.3 1,-0.4 -35,-0.2 0.417 75.1 30.6-122.0 -11.7 -30.4 24.0 7.8 58 59 A I E -c 22 0B 1 -37,-1.4 -35,-2.7 27,-0.1 2,-0.5 -0.987 68.1-143.6-146.9 147.6 -27.2 21.9 8.0 59 60 A I E -cd 23 87B 0 27,-1.9 29,-2.4 -2,-0.3 2,-0.7 -0.973 14.4-153.8-117.4 118.4 -24.7 21.1 10.8 60 61 A D E -cd 24 88B 2 -37,-2.9 -35,-2.5 -2,-0.5 2,-0.6 -0.819 11.2-167.3 -96.3 113.1 -21.1 20.9 9.8 61 62 A I E d 0 89B 0 27,-2.8 29,-2.4 -2,-0.7 -35,-0.1 -0.876 360.0 360.0-106.8 116.3 -19.1 18.7 12.1 62 63 A G 0 0 51 -2,-0.6 27,-0.1 -37,-0.3 -1,-0.1 -0.373 360.0 360.0-102.8 360.0 -15.3 18.8 11.9 63 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 64 75 A S > 0 0 89 0, 0.0 4,-1.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 177.5 -4.1 11.5 12.9 65 76 A V H > + 0 0 56 2,-0.2 4,-0.7 3,-0.1 28,-0.0 0.776 360.0 44.5 -83.9 -29.8 -6.6 9.4 11.0 66 77 A E H > S+ 0 0 108 2,-0.2 4,-2.1 1,-0.1 3,-0.3 0.893 112.0 51.1 -81.1 -42.5 -7.6 7.2 14.0 67 78 A E H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.933 105.4 57.7 -58.1 -47.3 -7.9 10.1 16.4 68 79 A E H X S+ 0 0 42 -4,-1.2 4,-2.2 1,-0.2 5,-0.2 0.837 109.0 45.7 -53.2 -36.1 -10.2 11.9 13.9 69 80 A I H X S+ 0 0 12 -4,-0.7 4,-1.8 -3,-0.3 -1,-0.2 0.880 109.4 53.3 -77.2 -37.9 -12.5 9.0 13.9 70 81 A K H < S+ 0 0 91 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.793 117.5 39.7 -65.6 -28.6 -12.5 8.6 17.7 71 82 A R H X S+ 0 0 60 -4,-2.0 4,-0.5 -5,-0.2 -2,-0.2 0.899 119.9 38.9 -87.5 -47.5 -13.5 12.3 18.0 72 83 A V H X S+ 0 0 4 -4,-2.2 4,-2.1 -5,-0.2 3,-0.4 0.834 107.1 59.7 -77.5 -35.9 -16.0 12.8 15.2 73 84 A V H X S+ 0 0 22 -4,-1.8 4,-1.9 -5,-0.2 5,-0.2 0.934 100.0 55.6 -60.6 -49.1 -18.0 9.6 15.3 74 85 A P H > S+ 0 0 27 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.789 113.4 43.5 -54.8 -29.8 -19.3 10.0 18.9 75 86 A M H X S+ 0 0 4 -4,-0.5 4,-3.1 -3,-0.4 5,-0.3 0.872 107.3 55.1 -84.8 -41.3 -20.7 13.4 18.0 76 87 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 5,-0.1 0.836 109.5 52.6 -60.7 -30.8 -22.3 12.6 14.6 77 88 A Q H X S+ 0 0 84 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.2 0.942 114.6 38.3 -69.3 -50.4 -24.1 9.9 16.5 78 89 A A H X S+ 0 0 5 -4,-1.2 4,-3.0 -5,-0.2 5,-0.2 0.948 118.6 47.2 -67.3 -49.7 -25.5 12.2 19.2 79 90 A V H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -3,-0.2 0.900 111.5 50.2 -59.7 -45.0 -26.2 15.1 17.0 80 91 A S H < S+ 0 0 27 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.809 116.3 43.4 -64.8 -30.5 -28.0 13.1 14.3 81 92 A K H < S+ 0 0 159 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.879 122.6 34.7 -82.4 -41.6 -30.1 11.5 16.9 82 93 A E H < S+ 0 0 49 -4,-3.0 2,-0.4 1,-0.2 -2,-0.2 0.545 116.2 54.7 -93.5 -7.5 -31.0 14.6 19.0 83 94 A V S < S- 0 0 1 -4,-2.1 2,-1.9 -5,-0.2 -1,-0.2 -0.960 71.8-144.8-132.1 114.6 -31.2 17.1 16.1 84 95 A K + 0 0 130 -2,-0.4 -4,-0.1 -3,-0.1 -3,-0.1 -0.518 64.7 100.9 -78.8 78.9 -33.4 16.6 13.1 85 96 A L S S- 0 0 27 -2,-1.9 -27,-0.1 -6,-0.2 -2,-0.1 -0.981 79.6 -91.7-158.5 146.7 -31.2 18.2 10.5 86 97 A P - 0 0 2 0, 0.0 -27,-1.9 0, 0.0 2,-0.4 -0.389 41.3-146.2 -66.5 141.2 -28.8 16.9 7.8 87 98 A I E -d 59 0B 0 17,-0.4 19,-2.2 -29,-0.2 20,-2.0 -0.890 8.8-160.3-112.4 139.8 -25.2 16.5 9.0 88 99 A S E -de 60 107B 0 -29,-2.4 -27,-2.8 -2,-0.4 2,-0.6 -0.939 14.7-135.5-119.0 140.7 -22.0 17.1 6.9 89 100 A I E -de 61 108B 0 18,-2.8 20,-2.0 -2,-0.4 2,-1.3 -0.864 12.5-144.5 -98.5 117.9 -18.6 15.7 7.9 90 101 A D E + e 0 109B 37 -29,-2.4 2,-0.3 -2,-0.6 20,-0.1 -0.639 56.4 100.8 -84.3 89.0 -15.8 18.2 7.5 91 102 A T - 0 0 4 -2,-1.3 18,-0.2 18,-0.6 21,-0.2 -0.961 56.5-150.6-158.0 171.9 -12.8 16.1 6.2 92 103 A Y + 0 0 69 -2,-0.3 28,-0.2 18,-0.2 2,-0.2 0.511 67.4 104.6-122.1 -19.2 -10.7 15.1 3.2 93 104 A K > - 0 0 37 1,-0.1 4,-1.6 26,-0.1 5,-0.1 -0.449 65.9-140.9 -70.7 133.2 -9.7 11.6 4.4 94 105 A A H > S+ 0 0 13 -2,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.893 98.5 48.4 -60.8 -45.9 -11.5 8.7 2.8 95 106 A E H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.951 110.0 50.0 -62.1 -52.9 -11.7 6.6 6.0 96 107 A V H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.860 109.8 54.1 -54.6 -36.7 -13.1 9.4 8.2 97 108 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.882 109.3 46.6 -66.2 -40.2 -15.7 10.1 5.5 98 109 A K H X S+ 0 0 89 -4,-1.7 4,-2.0 -3,-0.3 -2,-0.2 0.980 113.9 47.2 -64.6 -56.8 -16.9 6.4 5.5 99 110 A Q H X S+ 0 0 66 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.898 111.8 51.7 -48.1 -51.8 -17.1 6.2 9.3 100 111 A A H X>S+ 0 0 0 -4,-2.5 5,-3.2 1,-0.2 4,-0.8 0.872 109.3 46.8 -57.1 -46.2 -18.9 9.6 9.5 101 112 A I H <5S+ 0 0 22 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.842 112.2 53.9 -66.9 -31.9 -21.7 8.7 7.0 102 113 A E H <5S+ 0 0 121 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.919 106.8 49.6 -66.2 -45.4 -22.0 5.4 8.8 103 114 A A H <5S- 0 0 20 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.650 140.3 -77.9 -69.2 -14.8 -22.5 7.2 12.1 104 115 A G T <5S+ 0 0 22 -4,-0.8 -17,-0.4 1,-0.3 2,-0.3 0.429 78.1 147.1 134.6 -2.0 -25.1 9.3 10.4 105 116 A A < - 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0 0 67 -25,-0.3 3,-3.2 1,-0.1 4,-0.3 -0.596 67.7-170.2-140.4 75.7 -13.4 1.1 55.8 377 129 B P T >> S+ 0 0 68 0, 0.0 3,-2.4 0, 0.0 4,-0.5 0.723 80.0 74.9 -34.3 -39.0 -13.6 3.1 59.0 378 130 B K H >> S+ 0 0 155 1,-0.3 4,-1.0 2,-0.2 3,-0.8 0.724 81.4 71.0 -53.4 -22.7 -11.7 6.0 57.3 379 131 B I H <> S+ 0 0 0 -3,-3.2 4,-1.8 1,-0.3 3,-0.3 0.831 88.3 62.5 -64.1 -31.3 -15.0 6.8 55.5 380 132 B A H <> S+ 0 0 0 -3,-2.4 4,-1.4 -4,-0.3 -1,-0.3 0.814 102.2 51.5 -63.0 -30.0 -16.4 8.0 58.8 381 133 B E H S+ 0 0 1 -4,-1.8 5,-1.4 2,-0.2 4,-0.7 0.857 113.3 53.5 -64.9 -37.8 -18.1 12.6 56.3 384 136 B A H <5S+ 0 0 29 -4,-1.4 3,-0.3 -5,-0.2 -1,-0.2 0.922 113.1 44.0 -63.2 -43.2 -16.8 14.2 59.5 385 137 B H H <5S+ 0 0 141 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.903 119.9 38.9 -69.0 -45.0 -14.4 16.4 57.4 386 138 B Y H <5S- 0 0 50 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.415 103.6-132.8 -86.7 2.7 -17.0 17.3 54.8 387 139 B D T <5 + 0 0 76 -4,-0.7 -114,-0.2 -3,-0.3 -3,-0.2 0.845 53.4 149.2 47.6 44.7 -19.7 17.6 57.5 388 140 B V < - 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0 0 5 -5,-2.0 -1,-0.3 -6,-0.1 2,-0.1 -0.358 41.6-128.8 -61.2 126.6 -19.6 12.6 62.9 425 177 B R > - 0 0 106 -2,-0.1 3,-1.9 1,-0.1 -1,-0.1 -0.443 17.3-119.8 -73.4 150.6 -22.2 14.8 64.5 426 178 B D G > S+ 0 0 57 1,-0.3 3,-2.4 2,-0.2 -1,-0.1 0.915 113.5 60.7 -56.7 -45.3 -25.4 13.1 65.6 427 179 B E G 3 S+ 0 0 82 1,-0.3 -1,-0.3 32,-0.1 -156,-0.2 0.560 101.1 59.4 -59.9 -6.0 -27.6 15.3 63.3 428 180 B N G < S+ 0 0 4 -3,-1.9 -38,-3.1 -39,-0.1 2,-0.4 0.157 86.8 96.1-109.0 18.0 -25.5 13.7 60.5 429 181 B I E < +q 390 0E 0 -3,-2.4 2,-0.4 -40,-0.2 -38,-0.2 -0.917 44.9 179.2-116.3 135.0 -26.4 10.1 61.2 430 182 B I E -q 391 0E 3 -40,-2.0 -38,-3.0 -2,-0.4 2,-0.3 -0.992 16.6-141.9-131.3 138.3 -29.0 8.0 59.4 431 183 B L E -qr 392 461E 0 29,-3.4 31,-3.9 -2,-0.4 -38,-0.2 -0.771 11.6-170.7-105.2 148.3 -29.9 4.4 60.1 432 184 B D E -q 393 0E 7 -40,-1.5 -38,-1.9 -2,-0.3 31,-0.2 -1.000 21.4-143.7-135.4 130.9 -30.9 1.6 57.6 433 185 B P - 0 0 0 0, 0.0 4,-0.1 0, 0.0 30,-0.1 0.668 37.3-127.6 -68.0 -17.8 -32.2 -1.9 58.7 434 186 B G > - 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