==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 29-MAY-12 4FDN . COMPND 2 MOLECULE: OXIDOREDUCTASE DPRE1; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.M.BATT,G.S.BESRA,K.FUTTERER . 418 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 19.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 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 . 34 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 3 1 1 3 1 0 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 3 0 3 2 3 1 0 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 . 1 0 0 2 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 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 7 A T 0 0 136 0, 0.0 21,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -30.1 38.7 -21.9 2.4 2 8 A T E -A 21 0A 64 19,-0.1 2,-0.5 17,-0.0 19,-0.2 -0.786 360.0-143.4-116.5 158.5 36.2 -19.3 3.6 3 9 A T E -A 20 0A 95 17,-2.2 17,-2.4 -2,-0.3 2,-0.2 -0.961 19.6-130.6-123.1 116.3 34.6 -18.3 6.9 4 10 A A E +A 19 0A 66 -2,-0.5 2,-0.3 15,-0.3 15,-0.2 -0.455 41.7 176.1 -64.9 132.9 31.0 -17.1 7.2 5 11 A T E -A 18 0A 48 13,-2.5 13,-2.3 -2,-0.2 2,-0.5 -0.998 37.9-122.5-151.7 134.4 31.1 -14.0 9.2 6 12 A R E -A 17 0A 163 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.675 39.8-168.6 -71.8 120.5 28.9 -11.1 10.5 7 13 A L E +A 16 0A 16 9,-2.9 9,-1.6 -2,-0.5 2,-0.3 -0.918 16.3 166.0-117.7 143.5 30.4 -7.8 9.3 8 14 A T - 0 0 14 -2,-0.4 6,-0.1 7,-0.2 47,-0.1 -0.934 37.2-106.0-133.6 163.5 29.8 -4.2 10.2 9 15 A G > - 0 0 4 4,-0.7 3,-2.2 45,-0.3 45,-0.3 -0.184 57.1 -78.8 -69.0-178.1 31.6 -0.9 9.5 10 16 A W T 3 S+ 0 0 57 43,-2.5 44,-0.2 1,-0.3 43,-0.1 0.820 131.4 58.4 -58.3 -37.2 33.5 0.8 12.3 11 17 A G T 3 S- 0 0 2 43,-0.3 -1,-0.3 42,-0.1 280,-0.2 0.365 109.8-124.7 -77.1 5.6 30.3 2.3 13.9 12 18 A R < + 0 0 108 -3,-2.2 2,-0.2 1,-0.2 -2,-0.1 0.790 65.0 126.4 60.5 36.4 29.0 -1.3 14.2 13 19 A T + 0 0 51 41,-0.3 -4,-0.7 1,-0.2 -1,-0.2 -0.653 49.5 29.2-117.9 176.5 25.7 -0.8 12.2 14 20 A A S S- 0 0 37 -2,-0.2 -1,-0.2 -6,-0.1 -5,-0.1 0.895 76.9-161.9 40.0 63.1 24.0 -2.4 9.2 15 21 A P + 0 0 64 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.318 16.3 170.9 -68.8 152.4 25.4 -5.9 9.7 16 22 A S E -A 7 0A 23 -9,-1.6 -9,-2.9 -11,-0.1 2,-0.5 -0.969 30.0-113.6-152.2 163.6 25.4 -8.5 7.0 17 23 A V E +A 6 0A 80 -2,-0.3 45,-3.5 -11,-0.2 46,-0.3 -0.856 35.5 167.6-106.9 131.2 26.9 -12.0 6.6 18 24 A A E -A 5 0A 2 -13,-2.3 -13,-2.5 -2,-0.5 2,-0.6 -0.938 41.4-109.4-131.9 155.7 29.6 -12.8 4.1 19 25 A N E -Ab 4 64A 70 44,-2.7 46,-2.9 -2,-0.3 2,-0.6 -0.800 41.2-149.0 -77.4 119.8 32.0 -15.7 3.3 20 26 A V E -Ab 3 65A 18 -17,-2.4 -17,-2.2 -2,-0.6 2,-0.6 -0.836 9.6-158.5 -99.5 121.1 35.4 -14.2 4.3 21 27 A L E +Ab 2 66A 11 44,-2.8 46,-2.4 -2,-0.6 2,-0.4 -0.872 14.5 178.6 -89.5 124.7 38.5 -15.4 2.4 22 28 A R E + b 0 67A 152 -21,-0.6 46,-0.1 -2,-0.6 44,-0.1 -0.837 20.9 135.5-130.0 97.1 41.6 -14.7 4.6 23 29 A T - 0 0 22 44,-0.5 48,-0.1 -2,-0.4 6,-0.1 -1.000 51.0-146.9-144.6 143.0 44.8 -15.8 3.0 24 30 A P S S+ 0 0 99 0, 0.0 2,-0.9 0, 0.0 3,-0.1 0.429 77.2 101.7 -83.2 0.7 48.4 -14.4 2.5 25 31 A D >> - 0 0 73 1,-0.2 4,-1.4 46,-0.0 3,-1.1 -0.768 57.9-163.6 -93.0 102.8 48.5 -16.3 -0.9 26 32 A A H 3> S+ 0 0 39 -2,-0.9 4,-2.2 1,-0.3 -1,-0.2 0.807 89.6 59.5 -52.2 -33.2 47.9 -13.9 -3.7 27 33 A E H 3> S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.838 101.4 52.7 -67.9 -35.3 47.2 -16.9 -6.0 28 34 A M H <> S+ 0 0 88 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.840 108.9 51.3 -65.3 -34.0 44.3 -18.0 -3.8 29 35 A I H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.920 110.5 47.3 -70.1 -43.2 42.9 -14.5 -4.1 30 36 A V H X S+ 0 0 23 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.938 112.3 51.1 -60.6 -46.7 43.2 -14.6 -7.9 31 37 A K H X S+ 0 0 85 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.918 108.3 51.1 -56.3 -48.0 41.5 -18.1 -8.0 32 38 A A H X S+ 0 0 18 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.887 110.1 48.0 -62.6 -42.0 38.6 -16.9 -5.8 33 39 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.927 113.0 49.8 -61.4 -45.8 37.8 -13.9 -8.0 34 40 A A H X S+ 0 0 32 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.893 109.0 52.5 -57.3 -43.0 38.0 -16.2 -11.1 35 41 A R H X S+ 0 0 104 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.936 109.4 47.6 -61.0 -49.6 35.7 -18.7 -9.4 36 42 A V H ><>S+ 0 0 19 -4,-2.4 5,-2.3 1,-0.2 3,-0.6 0.908 112.4 50.9 -57.3 -43.0 33.1 -16.0 -8.7 37 43 A A H ><5S+ 0 0 21 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.865 108.3 51.5 -61.9 -38.2 33.4 -14.8 -12.3 38 44 A E H 3<5S+ 0 0 175 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.590 101.4 59.9 -78.0 -12.7 32.9 -18.4 -13.5 39 45 A S T <<5S- 0 0 81 -4,-0.9 3,-0.4 -3,-0.6 -1,-0.3 0.296 125.2-109.3 -89.7 6.7 29.8 -18.7 -11.5 40 46 A G T < 5 - 0 0 47 -3,-1.1 2,-0.2 1,-0.2 -3,-0.2 0.597 64.4 -58.7 81.2 15.2 28.7 -15.8 -13.6 41 47 A G S > S+ 0 0 8 322,-0.8 357,-1.7 319,-0.2 3,-0.7 -0.044 86.5 107.1-117.8 26.9 28.8 -0.7 4.5 57 63 A N T 3 S+ 0 0 12 318,-0.2 -1,-0.1 1,-0.2 357,-0.1 0.732 77.1 52.3 -82.2 -19.8 31.4 -0.5 1.6 58 64 A A T 3 S+ 0 0 16 -3,-0.2 2,-0.3 -5,-0.1 -1,-0.2 -0.139 101.2 71.9-108.6 36.0 33.6 -3.3 3.0 59 65 A Q < - 0 0 0 -3,-0.7 353,-2.3 -52,-0.1 354,-0.4 -0.963 54.2-166.7-142.2 162.6 30.9 -5.9 3.3 60 66 A N > - 0 0 0 -2,-0.3 3,-2.4 351,-0.3 -41,-0.2 -0.682 22.0-138.1-154.9 87.3 28.8 -8.0 0.9 61 67 A G T 3 S+ 0 0 11 1,-0.3 -43,-0.2 -2,-0.2 3,-0.1 -0.247 87.8 1.9 -57.7 128.1 25.8 -9.7 2.3 62 68 A G T 3 S+ 0 0 57 -45,-3.5 -1,-0.3 1,-0.2 -44,-0.2 0.506 123.1 79.8 75.7 4.3 25.4 -13.3 1.0 63 69 A G S < S- 0 0 7 -3,-2.4 -44,-2.7 -46,-0.3 2,-0.4 -0.400 86.7 -64.3-124.8-159.4 28.6 -13.0 -1.0 64 70 A L E -bc 19 45A 19 -20,-2.7 -18,-1.2 -46,-0.2 2,-0.4 -0.773 34.8-171.3 -97.6 136.4 32.4 -13.1 -0.8 65 71 A V E -bc 20 46A 0 -46,-2.9 -44,-2.8 -2,-0.4 2,-0.7 -0.996 12.5-149.6-120.7 132.7 34.5 -10.7 1.2 66 72 A I E -bc 21 47A 0 -20,-2.7 -18,-3.0 -2,-0.4 2,-0.6 -0.879 6.4-147.6-107.4 107.3 38.3 -10.8 0.8 67 73 A D E -bc 22 48A 26 -46,-2.4 -44,-0.5 -2,-0.7 -18,-0.2 -0.634 14.8-174.4 -68.3 113.5 40.3 -9.8 3.9 68 74 A M > + 0 0 8 -20,-2.8 3,-1.9 -2,-0.6 21,-0.2 0.490 56.2 100.1 -92.1 -6.9 43.4 -8.2 2.4 69 75 A T T 3 S+ 0 0 29 -21,-0.3 -1,-0.2 -20,-0.3 22,-0.1 0.709 75.9 58.7 -56.1 -25.9 45.2 -7.6 5.7 70 76 A P T 3 S+ 0 0 23 0, 0.0 2,-1.6 0, 0.0 -1,-0.3 0.680 87.2 78.5 -76.8 -16.2 47.5 -10.7 5.3 71 77 A L < + 0 0 9 -3,-1.9 18,-2.2 1,-0.2 19,-0.4 -0.656 61.5 134.2 -85.8 78.6 48.8 -9.3 2.1 72 78 A N + 0 0 75 -2,-1.6 2,-0.4 17,-0.2 -1,-0.2 -0.097 17.4 137.0-127.2 33.1 51.1 -6.9 4.0 73 79 A T - 0 0 72 17,-0.1 14,-3.0 13,-0.0 2,-0.8 -0.701 44.2-147.2 -84.7 130.8 54.6 -7.1 2.4 74 80 A I E -E 86 0B 44 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.880 18.9-175.0 -87.3 111.1 56.6 -4.0 1.9 75 81 A H E - 0 0 71 10,-2.0 2,-0.3 -2,-0.8 11,-0.2 0.899 56.5 -6.7 -80.7 -43.5 58.5 -4.8 -1.4 76 82 A S E -E 85 0B 58 9,-1.5 9,-2.4 2,-0.0 2,-0.4 -0.997 46.3-161.3-155.5 150.5 60.8 -1.8 -1.8 77 83 A I E -E 84 0B 34 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.999 12.1-174.2-131.4 131.0 61.6 1.6 -0.5 78 84 A D E >> -E 83 0B 62 5,-1.9 4,-1.1 -2,-0.4 5,-0.5 -0.962 12.1-169.6-130.7 113.1 63.6 4.1 -2.5 79 85 A A T 45S+ 0 0 43 -2,-0.5 -1,-0.1 2,-0.2 5,-0.1 0.673 86.0 55.3 -78.6 -16.1 64.7 7.4 -1.0 80 86 A D T 45S+ 0 0 139 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.946 120.2 28.0 -80.0 -53.1 65.8 9.0 -4.3 81 87 A T T 45S- 0 0 57 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.598 101.8-132.5 -78.8 -13.3 62.5 8.5 -6.2 82 88 A K T <5 + 0 0 68 -4,-1.1 103,-3.9 1,-0.2 2,-0.4 0.594 58.2 143.7 68.9 14.0 60.6 8.7 -2.9 83 89 A L E < -EF 78 184B 32 -5,-0.5 -5,-1.9 101,-0.2 2,-0.4 -0.692 35.0-168.7 -92.9 133.0 58.6 5.6 -4.0 84 90 A V E -EF 77 183B 0 99,-2.4 99,-2.4 -2,-0.4 2,-0.6 -0.961 8.6-155.8-114.2 139.4 57.4 2.8 -1.9 85 91 A D E +EF 76 182B 31 -9,-2.4 -10,-2.0 -2,-0.4 -9,-1.5 -0.953 30.0 163.6-115.1 108.3 56.1 -0.4 -3.4 86 92 A I E -EF 74 181B 0 95,-2.6 95,-2.4 -2,-0.6 -12,-0.2 -0.944 42.0-105.1-135.5 148.7 53.7 -2.2 -1.0 87 93 A D E > - F 0 180B 18 -14,-3.0 3,-1.4 -2,-0.3 93,-0.3 -0.317 40.4-114.8 -59.6 151.5 51.0 -4.8 -0.8 88 94 A A T 3 S+ 0 0 1 91,-2.5 30,-2.5 1,-0.3 31,-0.4 0.713 112.5 61.5 -67.5 -17.8 47.5 -3.4 -0.4 89 95 A G T 3 S+ 0 0 2 -18,-2.2 -1,-0.3 90,-0.3 -17,-0.2 0.511 75.7 113.2 -87.7 -6.5 47.1 -4.9 3.1 90 96 A V < - 0 0 0 -3,-1.4 27,-2.6 -19,-0.4 28,-0.2 -0.445 63.2-139.2 -59.5 134.6 50.0 -2.9 4.4 91 97 A N B > -I 116 0C 31 25,-0.3 4,-2.5 -19,-0.1 25,-0.2 -0.624 16.7-113.8-101.2 164.5 48.7 -0.3 7.0 92 98 A L H > S+ 0 0 0 23,-1.8 4,-2.5 21,-0.7 22,-0.2 0.783 114.9 54.2 -71.5 -25.9 49.8 3.3 7.3 93 99 A D H > S+ 0 0 41 20,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.928 110.9 45.5 -68.3 -48.6 51.3 2.7 10.8 94 100 A Q H > S+ 0 0 52 19,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.913 116.2 46.9 -59.7 -43.3 53.5 -0.1 9.5 95 101 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.895 109.3 53.6 -67.0 -41.7 54.4 2.0 6.4 96 102 A M H X S+ 0 0 4 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.942 111.1 46.6 -56.7 -47.6 55.2 5.0 8.6 97 103 A K H < S+ 0 0 129 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.868 114.6 46.4 -63.8 -40.1 57.6 3.0 10.7 98 104 A A H < S+ 0 0 34 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.815 117.2 42.2 -73.5 -29.9 59.3 1.4 7.8 99 105 A A H ><>S+ 0 0 0 -4,-2.1 5,-1.6 1,-0.2 3,-1.5 0.765 92.1 79.5 -93.1 -29.9 59.8 4.6 5.8 100 106 A L G ><5S+ 0 0 2 -4,-2.0 3,-2.5 1,-0.3 -1,-0.2 0.860 88.2 57.5 -45.3 -48.0 60.8 7.1 8.5 101 107 A P G 3 5S+ 0 0 95 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.751 104.4 54.0 -61.0 -22.9 64.5 5.9 8.5 102 108 A F G < 5S- 0 0 104 -3,-1.5 -2,-0.2 -4,-0.2 3,-0.1 0.349 122.4-109.1 -86.4 4.3 64.7 6.7 4.8 103 109 A G T < 5S+ 0 0 13 -3,-2.5 85,-2.0 1,-0.3 2,-0.4 0.860 75.6 138.2 66.9 35.0 63.5 10.2 5.5 104 110 A L E < -J 187 0D 4 -5,-1.6 2,-0.4 83,-0.2 -1,-0.3 -0.923 37.3-159.5-116.3 142.9 60.1 9.5 3.9 105 111 A W E -J 186 0D 2 81,-2.7 81,-3.0 -2,-0.4 -9,-0.1 -0.960 31.3-106.3-124.5 132.5 56.8 10.5 5.2 106 112 A V - 0 0 1 -2,-0.4 3,-0.1 79,-0.2 79,-0.1 -0.421 34.6-140.4 -56.3 120.6 53.3 9.1 4.4 107 113 A P S S+ 0 0 1 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.724 82.9 29.4 -70.3 -23.7 52.0 11.8 2.2 108 114 A V - 0 0 0 18,-0.1 17,-0.1 20,-0.0 27,-0.1 -0.966 68.9-174.3-138.1 120.3 48.4 11.7 3.5 109 115 A L - 0 0 2 -2,-0.4 19,-0.7 -3,-0.1 20,-0.2 -0.956 7.4-159.3-118.9 121.0 47.6 10.8 7.0 110 116 A P - 0 0 22 0, 0.0 17,-0.1 0, 0.0 5,-0.1 -0.206 46.6 -79.0 -84.5-176.4 44.0 10.4 8.3 111 117 A G S S+ 0 0 79 1,-0.1 2,-0.3 2,-0.1 16,-0.1 0.584 118.2 34.5 -61.8 -12.4 42.8 10.5 11.9 112 118 A T - 0 0 62 1,-0.0 -20,-0.1 0, 0.0 -1,-0.1 -0.997 63.2-150.3-140.9 143.8 44.0 6.9 12.4 113 119 A R S S+ 0 0 49 -2,-0.3 2,-1.5 1,-0.2 -20,-1.4 0.469 78.4 96.6 -88.0 -2.4 46.9 4.9 11.0 114 120 A Q + 0 0 62 -22,-0.2 2,-0.3 -23,-0.1 -1,-0.2 -0.362 61.2 103.5 -84.8 57.0 45.0 1.7 11.3 115 121 A V - 0 0 21 -2,-1.5 -23,-1.8 -64,-0.1 -22,-0.2 -0.981 68.4-122.4-132.2 146.4 43.9 1.8 7.6 116 122 A T B > -I 91 0C 3 -2,-0.3 4,-2.7 -25,-0.2 -25,-0.3 -0.523 21.7-116.7 -85.4 158.5 45.3 -0.2 4.8 117 123 A V H > S+ 0 0 0 -27,-2.6 4,-2.1 -30,-0.3 5,-0.2 0.885 118.5 54.0 -55.9 -40.2 46.8 1.2 1.6 118 124 A G H > S+ 0 0 13 -30,-2.5 4,-2.9 -28,-0.2 -1,-0.2 0.925 111.9 43.2 -59.6 -45.7 44.0 -0.5 -0.3 119 125 A G H > S+ 0 0 28 -31,-0.4 4,-1.6 2,-0.2 6,-0.2 0.846 110.0 56.7 -70.1 -34.1 41.4 1.2 1.8 120 126 A A H <>S+ 0 0 0 -4,-2.7 5,-1.7 2,-0.2 17,-0.2 0.881 115.5 37.9 -62.1 -39.9 43.3 4.5 1.6 121 127 A I H ><5S+ 0 0 0 -4,-2.1 49,-2.8 3,-0.2 3,-0.9 0.926 112.9 54.6 -76.0 -48.1 43.1 4.3 -2.2 122 128 A A H 3<5S+ 0 0 13 -4,-2.9 50,-2.9 1,-0.3 -2,-0.2 0.774 120.6 32.4 -60.4 -29.0 39.5 2.9 -2.5 123 129 A C T 3<5S- 0 0 14 -4,-1.6 215,-0.3 -5,-0.2 -1,-0.3 0.367 101.2-134.1-107.3 -0.3 38.1 5.8 -0.3 124 130 A D T < 5 - 0 0 0 -3,-0.9 -3,-0.2 -4,-0.2 214,-0.1 0.886 34.7-149.5 48.8 50.9 40.7 8.4 -1.5 125 131 A I < - 0 0 15 -5,-1.7 11,-2.7 -6,-0.2 2,-0.3 0.060 11.8-150.8 -58.2 158.3 41.2 9.4 2.1 126 132 A H - 0 0 27 9,-0.2 2,-0.2 10,-0.1 9,-0.1 -0.836 10.2-165.8-126.6 163.5 42.1 13.0 3.1 127 133 A G > - 0 0 6 7,-0.4 3,-2.1 -2,-0.3 4,-0.2 -0.766 46.0 -74.3-139.5-174.4 44.1 14.4 6.0 128 134 A K T 3 S+ 0 0 15 -19,-0.7 93,-3.1 1,-0.3 3,-0.3 0.692 127.4 53.5 -55.4 -21.4 44.9 17.6 7.9 129 135 A N T >> + 0 0 5 91,-0.3 4,-2.6 -20,-0.2 3,-1.4 0.175 68.9 118.6-103.9 16.3 47.1 18.5 4.9 130 136 A H H <> + 0 0 2 -3,-2.1 4,-2.2 1,-0.3 -1,-0.2 0.803 68.9 59.8 -52.8 -38.2 44.6 18.2 2.1 131 137 A H H 34 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.2 89,-0.1 0.752 120.3 28.1 -68.2 -21.3 44.8 21.9 1.0 132 138 A S H <4 S+ 0 0 64 -3,-1.4 -2,-0.2 87,-0.5 -1,-0.2 0.722 134.9 27.7-104.7 -30.0 48.5 21.5 0.3 133 139 A A H < S- 0 0 22 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.521 89.5-140.9-111.9 -9.2 48.8 17.8 -0.6 134 140 A G < - 0 0 8 -4,-2.2 -7,-0.4 -5,-0.3 -1,-0.3 -0.450 45.8 -48.2 73.1-155.4 45.5 16.8 -2.0 135 141 A S > - 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0 0 0 -2,-0.3 4,-1.6 1,-0.1 -351,-0.3 -0.919 46.6 -98.3-149.7 170.5 29.0 -4.7 -1.8 412 453 A D H > S+ 0 0 27 -353,-2.3 4,-2.5 -356,-0.5 5,-0.2 0.928 125.3 50.7 -60.0 -42.7 26.2 -3.7 0.5 413 454 A M H > S+ 0 0 1 -357,-1.7 4,-2.9 -354,-0.4 -1,-0.2 0.911 105.4 55.2 -61.1 -43.7 27.0 -0.1 -0.3 414 455 A A H 4>S+ 0 0 0 -358,-0.2 5,-3.0 1,-0.2 6,-1.6 0.854 113.0 42.8 -57.8 -37.1 27.0 -0.7 -4.1 415 456 A R H ><5S+ 0 0 62 -4,-1.6 3,-0.8 3,-0.2 -1,-0.2 0.913 114.6 48.7 -77.7 -42.8 23.4 -2.1 -3.9 416 457 A R H 3<5S+ 0 0 57 -4,-2.5 -33,-0.6 1,-0.2 -2,-0.2 0.912 120.6 36.1 -64.0 -43.0 22.1 0.5 -1.5 417 458 A L T 3<5S- 0 0 0 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.304 109.5-121.3 -96.2 8.8 23.4 3.4 -3.5 418 459 A E T < 5S+ 0 0 130 -3,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.925 73.8 128.1 51.0 54.6 22.8 1.7 -6.9 419 460 A L < 0 0 0 -5,-3.0 -4,-0.2 -6,-0.2 -5,-0.1 0.441 360.0 360.0-107.6 -11.9 26.4 1.7 -8.1 420 461 A L 0 0 40 -6,-1.6 -5,-0.1 -7,-0.1 -11,-0.1 0.835 360.0 360.0 -55.5 360.0 26.3 -2.0 -8.8