==== 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 OXIDOREDUCTASE 02-SEP-09 3IW2 . COMPND 2 MOLECULE: CYTOCHROME P450 CYP125; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR K.J.MCLEAN,C.LEVY,A.W.MUNRO,D.LEYS . 398 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 8.0 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 . 2 0.5 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 . 29 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 4 2 0 0 0 3 3 0 0 1 1 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 20 A P 0 0 71 0, 0.0 2,-1.6 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 141.6 22.5 9.0 13.5 2 21 A N + 0 0 80 24,-0.1 24,-0.1 21,-0.1 25,-0.1 -0.611 360.0 129.2 -81.5 86.1 19.0 7.6 13.1 3 22 A L - 0 0 27 -2,-1.6 3,-0.1 23,-0.1 4,-0.0 -0.937 65.6 -91.2-132.1 152.9 17.9 9.9 10.2 4 23 A P > - 0 0 73 0, 0.0 3,-1.5 0, 0.0 2,-0.1 -0.302 56.2 -86.9 -62.1 155.4 16.3 9.0 7.0 5 24 A P T 3 S+ 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.405 112.8 9.1 -61.5 130.5 18.7 8.5 4.0 6 25 A G T 3 S+ 0 0 71 1,-0.2 2,-0.2 -2,-0.1 33,-0.1 0.701 87.1 167.2 72.0 18.0 19.6 11.8 2.2 7 26 A F < - 0 0 22 -3,-1.5 2,-0.5 31,-0.0 -1,-0.2 -0.497 19.3-159.0 -66.6 135.7 17.9 13.8 4.9 8 27 A D > - 0 0 14 -2,-0.2 3,-2.3 1,-0.1 6,-0.2 -0.958 17.2-155.0-127.1 113.4 18.9 17.5 4.5 9 28 A F T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.571 99.0 52.3 -63.9 -10.4 18.6 19.9 7.4 10 29 A T T 3 S+ 0 0 0 69,-0.1 -1,-0.3 4,-0.0 279,-0.0 0.257 77.2 132.8-103.7 12.2 18.2 22.8 5.0 11 30 A D X> - 0 0 52 -3,-2.3 3,-1.8 1,-0.2 4,-1.1 -0.450 48.0-153.5 -74.6 113.4 15.4 21.1 3.0 12 31 A P H 3> S+ 0 0 2 0, 0.0 4,-1.7 0, 0.0 374,-0.3 0.795 92.5 69.0 -54.0 -29.9 12.6 23.7 2.4 13 32 A A H 34 S+ 0 0 44 1,-0.2 4,-0.4 2,-0.2 -2,-0.1 0.759 99.0 49.3 -57.3 -31.5 10.1 20.8 2.2 14 33 A I H X> S+ 0 0 13 -3,-1.8 4,-2.9 -6,-0.2 3,-1.4 0.944 110.5 47.8 -71.9 -48.4 10.6 20.1 5.9 15 34 A Y H 3< S+ 0 0 0 -4,-1.1 -2,-0.2 1,-0.3 -1,-0.2 0.673 97.7 69.1 -74.0 -20.2 10.1 23.7 7.0 16 35 A A T 3< S+ 0 0 38 -4,-1.7 367,-0.5 1,-0.1 -1,-0.3 0.801 119.8 21.2 -59.8 -29.0 6.9 24.1 5.0 17 36 A E T <4 S- 0 0 150 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.2 0.776 129.4 -22.7-107.7 -43.7 5.4 21.6 7.5 18 37 A R < - 0 0 79 -4,-2.9 -1,-0.3 365,-0.0 -2,-0.0 -0.986 59.4 -92.7-163.9 163.0 7.5 21.6 10.7 19 38 A L - 0 0 32 -2,-0.3 2,-1.9 -3,-0.1 3,-0.3 -0.815 41.0-127.0 -85.4 131.6 10.7 22.3 12.5 20 39 A P > + 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.397 52.3 150.2 -80.9 65.7 12.8 19.1 12.6 21 40 A V H > + 0 0 55 -2,-1.9 4,-1.9 1,-0.2 5,-0.2 0.841 68.7 50.3 -66.1 -41.4 13.3 19.2 16.3 22 41 A A H > S+ 0 0 72 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.880 110.4 51.1 -70.7 -34.0 13.6 15.4 16.8 23 42 A E H > S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.931 109.9 48.8 -69.5 -45.0 16.2 15.2 14.0 24 43 A F H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.892 110.6 51.3 -55.2 -42.6 18.3 18.0 15.6 25 44 A A H X S+ 0 0 28 -4,-1.9 4,-1.8 2,-0.2 5,-0.2 0.891 106.4 55.7 -67.1 -37.2 18.1 16.2 19.0 26 45 A E H X S+ 0 0 57 -4,-2.0 4,-3.3 1,-0.2 5,-0.4 0.941 109.4 45.7 -60.5 -47.1 19.3 13.0 17.3 27 46 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.925 108.5 55.3 -61.3 -46.6 22.4 14.7 15.9 28 47 A R H < S+ 0 0 13 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.889 118.4 36.3 -55.3 -35.7 23.1 16.4 19.3 29 48 A S H < S+ 0 0 101 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.920 133.5 21.2 -80.5 -48.0 23.1 12.9 20.9 30 49 A A H < S+ 0 0 53 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.743 139.0 4.3-102.0 -25.4 24.6 10.7 18.1 31 50 A A < - 0 0 15 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.1 -0.452 57.3-179.3-165.3 70.6 26.7 13.0 15.8 32 51 A P S S+ 0 0 48 0, 0.0 23,-1.8 0, 0.0 2,-0.4 0.679 86.2 38.5 -57.7 -24.2 26.8 16.7 17.0 33 52 A I E S+A 54 0A 16 21,-0.2 2,-0.4 -6,-0.1 21,-0.2 -0.988 86.0 169.9-123.0 113.7 28.9 17.6 13.9 34 53 A W E -A 53 0A 57 19,-1.5 19,-3.2 -2,-0.4 2,-0.7 -0.988 38.9-118.1-134.5 133.8 27.6 15.6 10.9 35 54 A W E -A 52 0A 88 -2,-0.4 2,-1.1 17,-0.2 17,-0.2 -0.593 24.8-158.8 -71.9 112.8 28.2 15.7 7.2 36 55 A N E -A 51 0A 0 15,-3.2 15,-1.6 -2,-0.7 -1,-0.1 -0.803 15.6-154.4 -90.8 91.1 24.9 16.6 5.6 37 56 A G E -A 50 0A 33 -2,-1.1 2,-0.4 13,-0.2 13,-0.3 -0.363 7.4-161.0 -62.0 144.2 25.4 15.3 2.0 38 57 A Q - 0 0 15 11,-2.2 5,-0.2 -2,-0.1 3,-0.1 -1.000 12.6-133.0-130.5 130.0 23.5 16.9 -0.8 39 58 A D > - 0 0 105 -2,-0.4 3,-1.7 3,-0.2 10,-0.1 -0.324 45.3 -74.3 -73.7 162.6 23.0 15.3 -4.2 40 59 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 -0.356 120.4 17.8 -59.6 140.5 23.5 17.3 -7.4 41 60 A G T 3 S+ 0 0 47 5,-0.1 3,-0.1 42,-0.1 42,-0.1 0.503 114.5 78.7 73.8 8.5 20.8 19.8 -8.2 42 61 A K < + 0 0 119 -3,-1.7 -3,-0.2 4,-0.1 5,-0.1 0.106 57.5 95.0-132.9 19.1 19.6 19.6 -4.6 43 62 A G S > S- 0 0 3 3,-0.3 3,-1.1 40,-0.2 5,-0.1 0.141 95.4-111.5-101.2 13.6 22.1 21.8 -2.6 44 63 A G T 3 S- 0 0 0 1,-0.3 37,-1.8 36,-0.1 39,-0.1 0.817 87.6 -32.4 62.9 34.0 19.9 25.0 -2.7 45 64 A G T 3 S+ 0 0 2 38,-0.4 2,-0.4 1,-0.4 -1,-0.3 0.246 120.9 105.3 107.2 -10.9 22.3 26.8 -5.0 46 65 A F < - 0 0 7 -3,-1.1 -1,-0.4 33,-0.1 -3,-0.3 -0.863 44.6-174.4-109.4 140.1 25.5 25.2 -3.7 47 66 A H + 0 0 137 -2,-0.4 -1,-0.1 1,-0.1 -3,-0.0 -0.178 54.7 102.7-131.7 31.2 27.2 22.5 -5.7 48 67 A D S S- 0 0 68 -5,-0.1 -1,-0.1 2,-0.1 262,-0.1 0.266 95.5-105.1-105.9 2.5 29.9 21.3 -3.4 49 68 A G S S- 0 0 35 -3,-0.1 -11,-2.2 -10,-0.1 2,-0.3 0.423 74.7 -45.3 94.7 0.5 28.2 18.2 -2.3 50 69 A G E -A 37 0A 0 -13,-0.3 260,-0.5 -7,-0.1 2,-0.3 -0.931 55.2-102.3 139.8-167.8 27.0 19.2 1.2 51 70 A F E -Ab 36 310A 0 -15,-1.6 -15,-3.2 -2,-0.3 2,-0.6 -0.975 32.2 -96.2-157.0 157.8 28.0 20.9 4.5 52 71 A W E -Ab 35 311A 43 258,-2.6 260,-3.1 -2,-0.3 2,-0.6 -0.804 38.4-139.5 -82.4 120.8 28.9 20.2 8.1 53 72 A A E -Ab 34 312A 0 -19,-3.2 -19,-1.5 -2,-0.6 2,-0.6 -0.726 14.1-159.3 -82.6 118.9 25.7 20.4 10.2 54 73 A I E +Ab 33 313A 0 258,-3.0 260,-2.3 -2,-0.6 264,-0.3 -0.904 23.4 161.1-104.5 116.8 26.6 22.2 13.5 55 74 A T + 0 0 0 -23,-1.8 2,-0.4 -2,-0.6 -1,-0.1 0.542 44.0 87.2-114.5 -14.6 24.1 21.4 16.2 56 75 A K S > S- 0 0 27 -24,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.761 70.5-132.9-101.1 140.3 25.8 22.2 19.6 57 76 A L H > S+ 0 0 2 -2,-0.4 4,-2.4 261,-0.3 5,-0.2 0.898 104.9 48.8 -55.0 -52.3 25.8 25.7 21.2 58 77 A N H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.866 110.5 51.5 -61.1 -34.2 29.6 25.8 21.9 59 78 A D H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.916 108.8 50.9 -67.7 -41.1 30.5 24.8 18.4 60 79 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 285,-0.2 0.929 113.0 47.4 -56.3 -43.9 28.2 27.5 17.0 61 80 A K H X S+ 0 0 51 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.927 109.3 52.2 -65.5 -43.5 30.0 29.9 19.3 62 81 A E H X S+ 0 0 46 -4,-2.4 4,-2.1 1,-0.2 3,-0.4 0.960 111.6 47.0 -60.8 -49.3 33.5 28.7 18.3 63 82 A I H < S+ 0 0 0 -4,-2.6 7,-0.3 1,-0.2 -1,-0.2 0.905 111.7 50.2 -55.0 -44.6 32.7 29.1 14.6 64 83 A S H < S+ 0 0 4 -4,-2.1 3,-0.4 1,-0.2 284,-0.4 0.798 111.0 49.0 -70.1 -32.7 31.3 32.6 15.2 65 84 A R H < S+ 0 0 133 -4,-2.1 2,-1.1 -3,-0.4 283,-0.2 0.867 105.5 60.8 -69.5 -40.2 34.4 33.7 17.2 66 85 A H >X + 0 0 48 -4,-2.1 4,-2.9 -5,-0.2 3,-1.4 -0.376 55.2 143.4 -91.1 59.6 36.8 32.4 14.6 67 86 A S T 34 + 0 0 31 -2,-1.1 -1,-0.2 -3,-0.4 35,-0.2 0.553 65.4 71.9 -74.0 -4.4 35.8 34.5 11.5 68 87 A D T 34 S+ 0 0 116 -3,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.695 115.7 24.3 -74.5 -23.1 39.4 34.6 10.6 69 88 A V T <4 S+ 0 0 1 -3,-1.4 226,-2.2 1,-0.2 2,-0.8 0.779 121.1 60.0-102.5 -45.9 39.0 30.9 9.7 70 89 A F E < S-C 294 0A 0 -4,-2.9 224,-0.2 -7,-0.3 2,-0.2 -0.762 78.8-154.5 -99.0 104.6 35.2 30.8 9.0 71 90 A S E -C 293 0A 1 222,-2.9 222,-1.9 -2,-0.8 4,-0.3 -0.506 29.1-174.8 -89.4 141.5 34.2 33.1 6.2 72 91 A S S > S+ 0 0 0 -2,-0.2 4,-1.1 220,-0.2 3,-0.2 0.724 88.1 59.3 -94.7 -33.1 31.0 34.9 5.4 73 92 A Y T 4 S+ 0 0 112 1,-0.2 -1,-0.1 2,-0.2 26,-0.1 0.878 90.2 66.2 -56.7 -45.8 32.3 36.2 2.1 74 93 A E T 4 S- 0 0 70 1,-0.2 -1,-0.2 219,-0.2 -2,-0.1 0.851 130.2 -5.4 -64.4 -40.7 33.2 33.0 0.3 75 94 A N T 4 S- 0 0 19 1,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.224 102.8-114.4-131.5 14.7 29.6 31.6 -0.1 76 95 A G < - 0 0 6 -4,-1.1 -1,-0.3 23,-0.2 -3,-0.1 -0.082 31.6 -90.3 68.6 177.1 27.6 34.2 1.9 77 96 A V S S+ 0 0 0 213,-0.1 214,-2.5 -3,-0.1 -1,-0.2 0.572 95.5 98.4-100.9 -14.5 25.8 33.1 5.0 78 97 A I - 0 0 20 212,-0.2 212,-0.1 1,-0.1 3,-0.1 -0.693 56.7-163.4 -75.1 121.5 22.4 32.1 3.6 79 98 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -33,-0.1 0.408 63.9 40.7 -88.9 2.1 22.6 28.3 3.4 80 99 A R + 0 0 15 -35,-0.1 2,-0.2 -69,-0.0 307,-0.2 -0.928 53.1 153.1-155.2 131.2 19.6 27.7 1.0 81 100 A F - 0 0 30 -37,-1.8 -35,-0.1 -2,-0.3 104,-0.1 -0.720 61.8 -52.2-133.9-178.8 18.2 29.3 -2.1 82 101 A K > - 0 0 91 -2,-0.2 3,-2.1 1,-0.1 -1,-0.1 -0.378 56.0-120.0 -55.4 139.7 16.1 28.0 -5.0 83 102 A N T 3 S+ 0 0 61 1,-0.3 -38,-0.4 -39,-0.1 -40,-0.2 0.746 111.5 51.2 -60.6 -25.7 17.9 25.0 -6.4 84 103 A D T 3 S+ 0 0 142 -40,-0.1 -1,-0.3 -42,-0.1 -2,-0.1 0.316 77.9 137.0 -94.6 4.7 18.2 26.7 -9.8 85 104 A I < - 0 0 34 -3,-2.1 2,-0.3 1,-0.1 -4,-0.1 -0.224 56.4-120.7 -55.8 138.4 19.7 30.0 -8.5 86 105 A A > - 0 0 38 1,-0.1 3,-1.4 4,-0.0 4,-0.5 -0.602 17.5-124.0 -76.2 144.7 22.7 31.3 -10.7 87 106 A R T >> S+ 0 0 75 1,-0.3 4,-2.8 -2,-0.3 3,-1.6 0.852 110.4 64.5 -62.3 -39.3 25.9 31.7 -8.8 88 107 A E H 3> S+ 0 0 134 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.786 98.1 56.0 -50.8 -35.5 26.1 35.3 -9.7 89 108 A D H <4 S+ 0 0 46 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.652 110.1 44.6 -77.9 -21.5 22.9 35.8 -7.7 90 109 A I H X4 S+ 0 0 4 -3,-1.6 3,-2.1 -4,-0.5 -2,-0.2 0.884 112.8 50.7 -78.6 -54.8 24.7 34.4 -4.6 91 110 A E H >< S+ 0 0 77 -4,-2.8 3,-2.2 1,-0.3 -2,-0.2 0.810 98.7 64.8 -56.5 -34.9 27.9 36.3 -5.1 92 111 A V G >< S+ 0 0 80 -4,-1.8 3,-1.6 1,-0.3 -1,-0.3 0.746 87.1 72.5 -61.9 -19.5 26.2 39.7 -5.5 93 112 A Q G X S+ 0 0 48 -3,-2.1 3,-1.2 1,-0.3 6,-0.3 0.581 76.0 81.8 -75.8 -3.6 25.1 39.2 -1.8 94 113 A R G < S+ 0 0 44 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.570 73.9 76.1 -68.5 -9.0 28.7 40.0 -0.9 95 114 A F G < S+ 0 0 114 -3,-1.6 2,-0.4 -4,-0.1 -1,-0.2 0.539 81.5 79.2 -85.4 -6.8 27.9 43.6 -1.3 96 115 A V S X S- 0 0 22 -3,-1.2 3,-2.1 1,-0.1 139,-0.1 -0.819 89.1-121.6 -97.9 145.4 26.0 43.6 2.1 97 116 A M G > S+ 0 0 14 -2,-0.4 3,-1.6 1,-0.3 12,-0.1 0.786 107.7 67.5 -51.8 -40.2 28.1 43.8 5.3 98 117 A L G 3 S+ 0 0 54 1,-0.3 -1,-0.3 -5,-0.0 -4,-0.1 0.774 104.1 44.2 -46.4 -35.7 26.6 40.5 6.6 99 118 A N G < S+ 0 0 2 -3,-2.1 2,-0.3 -6,-0.3 -1,-0.3 -0.080 97.1 97.8-111.4 28.2 28.5 38.7 3.8 100 119 A M < - 0 0 23 -3,-1.6 2,-0.3 -5,-0.1 -28,-0.2 -0.823 56.5-149.0-109.5 157.0 31.8 40.5 4.1 101 120 A D >> - 0 0 28 -2,-0.3 4,-2.0 -29,-0.1 3,-0.7 -0.754 42.9 -41.4-116.6 168.9 35.0 39.5 5.9 102 121 A A T 34 S+ 0 0 74 1,-0.3 -1,-0.1 -2,-0.3 246,-0.0 -0.348 117.2 25.5 -64.0 143.4 37.7 41.5 7.6 103 122 A P T 3> S+ 0 0 93 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 -0.998 129.0 41.6 -86.6 -7.6 39.0 44.1 6.7 104 123 A H H <> S+ 0 0 134 -3,-0.7 4,-1.6 1,-0.2 -2,-0.2 0.893 117.9 48.3 -69.6 -42.5 36.1 45.3 4.6 105 124 A H H X S+ 0 0 8 -4,-2.0 4,-3.5 2,-0.2 5,-0.3 0.888 107.1 56.1 -55.3 -50.8 33.6 44.2 7.2 106 125 A T H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.876 109.1 46.7 -52.1 -48.0 35.4 45.9 10.0 107 126 A R H X S+ 0 0 72 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.887 116.2 42.8 -63.8 -45.1 35.3 49.2 8.3 108 127 A L H X S+ 0 0 13 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.912 113.6 50.9 -73.3 -38.9 31.6 49.0 7.4 109 128 A R H X S+ 0 0 57 -4,-3.5 4,-1.3 1,-0.2 -2,-0.2 0.919 109.1 53.3 -62.8 -41.1 30.5 47.7 10.7 110 129 A K H < S+ 0 0 145 -4,-2.1 4,-0.3 -5,-0.3 -1,-0.2 0.909 113.8 41.3 -59.2 -45.2 32.4 50.5 12.4 111 130 A I H >< S+ 0 0 2 -4,-1.8 3,-1.9 1,-0.2 4,-0.3 0.945 113.8 51.0 -65.8 -47.4 30.6 53.2 10.3 112 131 A I H >< S+ 0 0 4 -4,-2.6 3,-1.1 1,-0.3 4,-0.3 0.645 91.0 78.8 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