==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-APR-02 1LGF . COMPND 2 MOLECULE: P450 MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS ORIENTALIS; . AUTHOR O.PYLYPENKO,K.ZERBE,F.VITALI,W.ZHANG,J.W.VRIJBLOED, . 388 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18169.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 8.2 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 . 20 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 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 3 0 0 0 0 3 2 0 0 0 1 2 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 4 3 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 . 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 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 5 A D 0 0 119 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.8 2.5 27.9 46.9 2 6 A P + 0 0 129 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.748 360.0 101.6 -70.1 -26.4 5.8 27.7 44.7 3 7 A R S S- 0 0 63 1,-0.1 5,-0.1 2,-0.1 60,-0.0 -0.415 88.9 -94.8 -65.2 131.7 8.0 28.5 47.7 4 8 A P > - 0 0 61 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.025 30.1-118.8 -45.3 146.3 9.7 25.4 49.2 5 9 A L G > S+ 0 0 44 1,-0.3 3,-1.6 2,-0.2 10,-0.2 0.886 111.9 56.5 -58.2 -44.3 7.9 23.8 52.1 6 10 A H G 3 S+ 0 0 28 1,-0.3 -1,-0.3 8,-0.1 299,-0.1 0.644 102.7 59.2 -66.9 -9.6 10.8 24.3 54.6 7 11 A I G < S+ 0 0 17 -3,-1.3 2,-0.4 7,-0.0 -1,-0.3 0.571 84.0 104.3 -93.4 -9.8 10.6 28.0 53.8 8 12 A R < + 0 0 48 -3,-1.6 7,-2.7 -4,-0.4 2,-0.3 -0.589 43.2 174.2 -84.6 130.8 7.0 28.4 54.9 9 13 A R E -A 14 0A 26 -2,-0.4 2,-0.5 5,-0.3 3,-0.1 -0.866 23.4-150.3-125.8 154.7 6.1 30.0 58.2 10 14 A Q E > S-A 13 0A 100 3,-3.3 3,-1.9 -2,-0.3 2,-0.3 -0.898 70.4 -53.4-126.0 100.6 2.8 30.9 59.8 11 15 A G T 3 S- 0 0 31 -2,-0.5 4,-0.1 1,-0.3 -2,-0.0 -0.538 122.5 -19.4 69.7-126.7 3.2 33.9 62.0 12 16 A L T 3 S+ 0 0 7 -2,-0.3 -1,-0.3 -3,-0.1 230,-0.0 0.437 129.3 76.8 -91.4 -1.2 6.0 33.1 64.5 13 17 A D E < S-A 10 0A 51 -3,-1.9 -3,-3.3 1,-0.1 2,-0.1 -0.604 90.6 -92.1-107.7 166.2 5.6 29.3 63.8 14 18 A P E -A 9 0A 2 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.468 60.4 -88.0 -65.1 145.3 6.5 26.8 61.1 15 19 A A >> - 0 0 1 -7,-2.7 4,-2.8 -10,-0.2 3,-0.6 -0.235 34.7-118.6 -57.4 150.0 3.8 26.4 58.5 16 20 A D H 3> S+ 0 0 100 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.878 116.0 51.7 -56.3 -41.3 1.2 23.7 59.4 17 21 A E H 34 S+ 0 0 76 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.769 110.0 50.1 -68.9 -25.4 2.1 21.7 56.3 18 22 A L H X4 S+ 0 0 1 -3,-0.6 3,-1.2 2,-0.2 -2,-0.2 0.915 111.2 47.6 -75.7 -45.4 5.7 21.9 57.3 19 23 A L H 3< S+ 0 0 72 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.788 111.0 53.3 -64.0 -26.7 4.9 20.7 60.8 20 24 A A T 3< S+ 0 0 82 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.542 84.2 111.1 -86.2 -8.1 2.8 17.9 59.3 21 25 A A S < S- 0 0 22 -3,-1.2 -3,-0.1 -4,-0.3 4,-0.0 -0.351 76.4-102.9 -66.3 146.9 5.6 16.7 57.1 22 26 A G - 0 0 35 1,-0.1 15,-0.3 14,-0.0 3,-0.3 -0.183 35.3 -95.4 -67.7 166.2 7.0 13.3 58.1 23 27 A A S S+ 0 0 45 1,-0.3 14,-2.4 14,-0.2 15,-1.1 0.851 112.0 1.7 -47.1 -44.5 10.3 12.8 60.0 24 28 A L E S+B 36 0B 9 12,-0.2 2,-0.3 265,-0.2 -1,-0.3 -0.924 83.8 146.7-151.5 120.3 12.1 12.2 56.7 25 29 A T E -B 35 0B 46 10,-1.4 10,-2.6 -2,-0.3 2,-0.3 -0.904 46.5 -90.8-146.9 171.9 10.5 12.4 53.3 26 30 A R E -B 34 0B 167 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.664 39.9-176.2 -91.9 146.1 11.3 13.4 49.7 27 31 A V E B 33 0B 29 6,-2.6 6,-1.6 -2,-0.3 0, 0.0 -0.965 360.0 360.0-139.9 155.9 10.7 17.0 48.5 28 32 A T 0 0 133 -2,-0.3 -1,-0.1 4,-0.2 6,-0.0 0.642 360.0 360.0-123.2 360.0 11.0 18.8 45.1 29 ! 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 30 39 A A 0 0 130 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 48.8 13.9 21.8 40.4 31 40 A E - 0 0 103 1,-0.1 2,-0.4 0, 0.0 0, 0.0 -0.139 360.0-132.4 -60.0 156.2 16.3 19.4 42.1 32 41 A T + 0 0 90 -6,-0.0 266,-0.4 0, 0.0 2,-0.3 -0.919 29.1 166.0-117.3 139.7 14.9 17.0 44.7 33 42 A H E -B 27 0B 22 -6,-1.6 -6,-2.6 -2,-0.4 2,-0.3 -0.844 38.2 -95.2-137.8 176.4 16.3 16.3 48.1 34 43 A W E -Bc 26 299B 9 264,-3.3 266,-3.1 -2,-0.3 2,-0.5 -0.661 34.0-146.0 -90.6 153.8 15.3 14.6 51.4 35 44 A M E -Bc 25 300B 1 -10,-2.6 -10,-1.4 -2,-0.3 2,-0.5 -0.974 4.8-156.8-129.2 122.7 13.9 16.7 54.1 36 45 A A E +Bc 24 301B 0 264,-2.7 266,-3.5 -2,-0.5 270,-0.3 -0.832 25.5 155.9 -98.2 121.8 14.5 16.1 57.8 37 46 A T + 0 0 14 -14,-2.4 2,-0.3 -2,-0.5 271,-0.3 0.528 46.0 94.2-119.1 -14.3 12.0 17.5 60.3 38 47 A A S > S- 0 0 15 -15,-1.1 4,-3.1 1,-0.1 5,-0.2 -0.680 73.2-133.7 -84.9 136.4 12.4 15.2 63.3 39 48 A H H > S+ 0 0 21 -2,-0.3 4,-2.4 267,-0.3 5,-0.2 0.901 106.8 47.6 -52.7 -47.0 14.8 16.4 66.0 40 49 A A H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.870 113.3 48.2 -65.3 -38.8 16.5 13.0 66.3 41 50 A V H > S+ 0 0 12 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.950 110.6 49.6 -69.0 -46.8 16.8 12.7 62.6 42 51 A V H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.3 0.928 112.3 49.3 -57.0 -44.6 18.2 16.2 62.1 43 52 A R H X S+ 0 0 102 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.883 110.8 50.7 -61.8 -38.4 20.8 15.5 64.9 44 53 A Q H X S+ 0 0 95 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.935 113.4 43.7 -65.6 -45.3 21.7 12.2 63.3 45 54 A V H < S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.931 120.7 40.0 -65.3 -47.3 22.3 13.8 59.9 46 55 A M H < S+ 0 0 10 -4,-2.7 290,-0.3 -5,-0.2 289,-0.2 0.825 115.6 49.5 -74.1 -33.1 24.2 16.8 61.2 47 56 A G H < S+ 0 0 26 -4,-2.4 2,-1.2 -5,-0.3 288,-0.2 0.747 97.2 73.2 -79.8 -22.6 26.2 15.0 63.9 48 57 A D >X + 0 0 40 -4,-1.4 4,-1.7 -5,-0.2 3,-0.8 -0.649 47.9 162.1 -96.1 82.3 27.5 12.3 61.6 49 58 A H T 34 S+ 0 0 52 -2,-1.2 -1,-0.2 1,-0.2 5,-0.1 0.674 71.0 71.0 -70.4 -16.1 30.1 14.0 59.3 50 59 A Q T 34 S+ 0 0 124 1,-0.2 -1,-0.2 -3,-0.2 3,-0.1 0.843 115.4 21.2 -67.3 -34.2 31.4 10.5 58.5 51 60 A Q T <4 S+ 0 0 54 -3,-0.8 232,-2.4 1,-0.2 233,-0.5 0.558 126.4 48.9-111.4 -12.9 28.2 9.8 56.4 52 61 A F E < -D 282 0B 1 -4,-1.7 230,-0.2 230,-0.3 -1,-0.2 -0.883 66.9-171.0-133.2 102.5 26.9 13.3 55.6 53 62 A S E -D 281 0B 27 228,-2.4 228,-3.4 -2,-0.4 2,-0.3 -0.554 32.9-101.5 -88.4 157.2 29.4 15.8 54.2 54 63 A T E -D 280 0B 8 226,-0.2 2,-1.0 -2,-0.2 226,-0.2 -0.631 38.0-108.4 -81.1 134.7 28.5 19.5 53.8 55 64 A R - 0 0 55 224,-2.8 -1,-0.1 -2,-0.3 27,-0.1 -0.485 39.2-132.0 -65.7 100.2 27.6 20.5 50.3 56 65 A R S S+ 0 0 120 -2,-1.0 25,-0.1 1,-0.1 -1,-0.1 -0.169 81.5 20.0 -54.1 144.3 30.6 22.6 49.3 57 66 A R S S+ 0 0 153 1,-0.2 2,-0.4 18,-0.1 -1,-0.1 0.988 84.4 163.2 56.1 78.3 29.8 26.0 47.7 58 67 A W - 0 0 59 2,-0.0 -1,-0.2 221,-0.0 220,-0.0 -0.975 29.9-149.1-129.3 144.9 26.2 26.6 48.9 59 68 A D - 0 0 54 -2,-0.4 10,-0.0 1,-0.1 12,-0.0 -0.955 11.3-145.7-115.7 123.0 24.1 29.7 49.0 60 69 A P S S+ 0 0 58 0, 0.0 216,-0.1 0, 0.0 -1,-0.1 0.217 92.9 45.9 -69.9 17.1 21.4 30.1 51.7 61 70 A R + 0 0 72 2,-0.1 3,-0.1 9,-0.0 316,-0.0 0.607 54.5 148.4-119.6 -82.3 19.2 32.0 49.1 62 71 A D + 0 0 104 1,-0.1 2,-0.1 4,-0.0 -3,-0.0 0.890 57.2 70.8 40.0 67.8 18.8 30.7 45.6 63 72 A E S S- 0 0 86 313,-0.1 2,-0.7 -60,-0.0 -1,-0.1 -0.412 95.4 -13.1-159.9-122.7 15.2 31.9 44.8 64 73 A I S S+ 0 0 147 -2,-0.1 2,-0.3 -3,-0.1 0, 0.0 -0.919 118.9 23.6-103.8 104.7 13.3 35.1 44.1 65 74 A G - 0 0 47 -2,-0.7 3,-0.1 1,-0.1 4,-0.1 -0.751 46.4-176.3 149.4-100.4 15.6 38.0 45.0 66 75 A G > + 0 0 11 -2,-0.3 3,-1.0 310,-0.3 2,-0.7 0.232 39.8 142.8 83.9 -15.2 19.4 37.7 45.1 67 76 A K T 3 S- 0 0 112 1,-0.3 -1,-0.3 100,-0.1 99,-0.1 -0.463 76.8 -7.1 -64.5 105.5 19.5 41.3 46.4 68 77 A G T 3 S+ 0 0 50 -2,-0.7 2,-0.3 1,-0.2 -1,-0.3 0.943 97.4 138.0 74.8 51.5 22.3 41.5 49.0 69 78 A I < - 0 0 17 -3,-1.0 98,-0.3 96,-0.3 -1,-0.2 -0.865 53.7 -82.9-126.0 160.9 23.3 37.9 49.3 70 79 A F - 0 0 36 -2,-0.3 -1,-0.2 96,-0.1 97,-0.1 0.132 24.9-157.5 -54.4 170.5 26.7 36.0 49.5 71 80 A R - 0 0 85 1,-0.1 -1,-0.1 95,-0.0 -12,-0.1 -0.662 9.5-177.2-155.6 88.6 29.0 35.0 46.7 72 81 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -13,-0.0 0.970 7.2-179.3 -53.8 -70.3 31.3 32.1 47.6 73 82 A R S S- 0 0 183 1,-0.1 -2,-0.0 2,-0.1 -16,-0.0 0.784 82.7 -62.2 66.2 25.5 33.5 31.6 44.6 74 83 A E S S- 0 0 107 1,-0.2 2,-0.6 4,-0.0 -1,-0.1 0.992 72.6-156.0 60.0 80.4 35.0 28.9 46.7 75 84 A L > - 0 0 26 144,-0.1 3,-0.8 143,-0.0 6,-0.2 -0.788 8.8-133.2 -92.8 119.9 36.4 31.0 49.6 76 85 A V T 3 S+ 0 0 53 -2,-0.6 3,-0.1 1,-0.2 143,-0.0 -0.374 92.0 39.5 -65.9 148.8 39.3 29.4 51.5 77 86 A G T 3 S+ 0 0 1 1,-0.2 2,-1.0 142,-0.1 -1,-0.2 0.673 78.2 134.6 84.1 15.4 38.8 29.6 55.3 78 87 A N X - 0 0 29 -3,-0.8 3,-2.8 1,-0.2 -1,-0.2 -0.791 42.7-161.8-102.8 91.8 35.1 28.9 55.0 79 88 A L G > S+ 0 0 8 -2,-1.0 3,-1.1 1,-0.3 -1,-0.2 0.736 86.7 62.6 -39.8 -34.9 34.5 26.4 57.7 80 89 A M G 3 S+ 0 0 43 1,-0.3 -1,-0.3 -3,-0.1 -26,-0.1 0.781 94.6 60.5 -67.1 -29.3 31.3 25.4 56.0 81 90 A D G < S+ 0 0 14 -3,-2.8 2,-0.3 -6,-0.2 -1,-0.3 0.094 103.5 62.5 -86.6 21.1 33.0 24.2 52.9 82 91 A Y < - 0 0 55 -3,-1.1 -28,-0.1 -4,-0.1 -27,-0.0 -0.959 58.6-158.2-144.9 163.3 35.0 21.6 54.7 83 92 A D >> - 0 0 23 -2,-0.3 4,-1.6 -30,-0.1 3,-0.9 -0.937 45.7 -35.3-136.3 157.7 34.8 18.4 56.8 84 93 A P T 34 S+ 0 0 29 0, 0.0 -1,-0.1 0, 0.0 251,-0.0 -0.169 119.0 22.0 -52.4 149.8 37.1 16.8 59.3 85 94 A P T 3> S+ 0 0 81 0, 0.0 4,-1.3 0, 0.0 -3,-0.0 -0.986 135.4 39.6 -82.0 -11.1 40.0 16.5 59.5 86 95 A E H X> S+ 0 0 75 -3,-0.9 4,-2.1 1,-0.2 3,-0.6 0.929 117.6 50.1 -58.9 -48.8 40.4 19.5 57.3 87 96 A H H 3X S+ 0 0 3 -4,-1.6 4,-3.2 1,-0.2 5,-0.2 0.897 106.5 56.1 -57.4 -41.4 37.5 21.3 58.9 88 97 A T H 3> S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.815 106.8 50.5 -60.5 -33.0 39.0 20.6 62.3 89 98 A R H X S+ 0 0 56 -4,-3.2 4,-1.9 1,-0.3 3,-0.8 0.938 108.7 50.6 -55.2 -52.9 38.1 25.6 62.9 92 101 A R H 3< S+ 0 0 144 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.831 108.6 55.6 -54.4 -33.6 40.9 25.3 65.5 93 102 A K H 3< S+ 0 0 29 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.826 114.1 36.7 -71.6 -32.2 42.7 28.1 63.6 94 103 A L H X< S+ 0 0 2 -4,-1.5 3,-1.5 -3,-0.8 -2,-0.2 0.602 95.5 87.0 -95.1 -14.2 39.8 30.6 63.9 95 104 A T G >< + 0 0 53 -4,-1.9 3,-2.8 1,-0.2 4,-0.5 0.818 68.6 76.5 -56.6 -36.6 38.7 29.5 67.4 96 105 A P G 3 S+ 0 0 21 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.775 93.1 55.0 -48.9 -27.1 41.1 31.9 69.3 97 106 A G G < S+ 0 0 1 -3,-1.5 -2,-0.2 1,-0.2 103,-0.1 0.529 108.5 46.1 -86.8 -4.2 38.7 34.7 68.5 98 107 A F S < S+ 0 0 22 -3,-2.8 -1,-0.2 -4,-0.2 244,-0.1 0.268 72.5 137.8-122.1 14.7 35.6 33.2 70.0 99 108 A T > - 0 0 53 -3,-0.5 4,-2.1 -4,-0.5 3,-0.3 -0.227 65.1-115.4 -57.6 150.6 36.8 31.8 73.3 100 109 A L H > S+ 0 0 119 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.834 117.8 55.9 -57.8 -33.8 34.3 32.5 76.1 101 110 A R H > S+ 0 0 193 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 106.7 50.7 -65.4 -40.0 36.8 34.7 77.9 102 111 A K H > S+ 0 0 39 -3,-0.3 4,-1.1 1,-0.2 -2,-0.2 0.914 110.7 49.7 -61.5 -41.3 37.0 36.8 74.7 103 112 A M H >X S+ 0 0 8 -4,-2.1 4,-1.1 1,-0.2 3,-0.5 0.913 105.9 55.0 -65.0 -43.8 33.2 36.9 74.7 104 113 A Q H >< S+ 0 0 136 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.917 106.9 51.4 -55.7 -43.4 33.0 38.1 78.3 105 114 A R H 3< S+ 0 0 198 -4,-1.9 4,-0.5 1,-0.2 -1,-0.3 0.788 104.7 57.8 -65.8 -26.1 35.3 41.0 77.4 106 115 A M H XX S+ 0 0 19 -4,-1.1 4,-2.5 -3,-0.5 3,-0.5 0.741 83.4 85.9 -74.6 -23.4 33.0 41.9 74.5 107 116 A A H S+ 0 0 69 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.866 113.3 47.7 -57.4 -40.9 30.9 46.0 77.8 109 118 A Y H <> S+ 0 0 114 -3,-0.5 4,-2.5 -4,-0.5 -2,-0.2 0.885 109.3 52.2 -69.7 -39.4 31.3 46.9 74.1 110 119 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.916 109.5 50.7 -63.6 -40.7 28.1 45.3 73.0 111 120 A E H X S+ 0 0 78 -4,-2.2 4,-3.0 -5,-0.3 -1,-0.2 0.913 109.5 50.0 -60.7 -44.7 26.3 47.2 75.7 112 121 A Q H X S+ 0 0 107 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.939 113.7 46.1 -58.9 -49.0 27.8 50.5 74.5 113 122 A I H X S+ 0 0 7 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.918 112.9 49.5 -60.8 -46.7 26.8 49.7 70.9 114 123 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.942 112.3 47.2 -60.7 -47.3 23.3 48.7 72.0 115 124 A N H X S+ 0 0 39 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.856 107.5 56.8 -64.4 -34.1 22.8 51.9 74.0 116 125 A D H X S+ 0 0 39 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.877 110.8 43.6 -63.7 -39.5 24.1 54.1 71.2 117 126 A R H X S+ 0 0 39 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.890 113.0 51.9 -72.5 -38.9 21.4 52.7 68.8 118 127 A L H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.806 105.0 57.2 -65.4 -30.6 18.8 52.9 71.6 119 128 A D H X S+ 0 0 54 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.911 106.2 49.3 -65.3 -42.3 19.8 56.6 72.0 120 129 A E H X S+ 0 0 55 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.859 112.8 47.1 -66.2 -34.8 19.1 57.3 68.4 121 130 A M H X S+ 0 0 0 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.935 111.8 49.6 -72.7 -44.3 15.7 55.6 68.7 122 131 A E H >< S+ 0 0 97 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.904 109.4 53.0 -59.5 -40.3 14.9 57.5 71.9 123 132 A R H 3< S+ 0 0 173 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.842 103.1 57.4 -65.0 -32.0 15.9 60.8 70.2 124 133 A A H 3< S- 0 0 59 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.743 109.5-135.2 -70.2 -21.9 13.5 60.0 67.3 125 134 A G << - 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0 0 60 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.138 20.6-160.5 -49.5 130.8 48.0 41.7 67.8 197 206 A G - 0 0 28 2,-0.1 9,-0.2 1,-0.0 -5,-0.0 -0.421 36.6 -94.1-102.2-176.3 44.9 43.3 69.2 198 207 A E S S+ 0 0 149 -2,-0.2 -50,-0.1 4,-0.1 5,-0.0 0.550 91.3 107.0 -77.5 -6.9 42.1 41.7 71.1 199 208 A G S > S- 0 0 13 -51,-0.1 4,-2.6 1,-0.1 -52,-0.2 -0.063 89.5 -95.2 -68.3 173.3 40.1 41.3 68.0 200 209 A M H > S+ 0 0 3 -54,-3.0 4,-1.8 1,-0.2 -53,-0.2 0.892 124.1 44.7 -54.1 -47.4 39.3 38.2 66.0 201 210 A I H > S+ 0 0 1 -54,-1.1 4,-2.8 1,-0.2 5,-0.3 0.943 112.9 49.7 -67.8 -47.0 42.2 38.7 63.6 202 211 A G H > S+ 0 0 0 -55,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.880 109.8 52.6 -58.9 -37.6 44.7 39.6 66.3 203 212 A A H X S+ 0 0 10 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.904 111.8 45.6 -65.0 -41.3 43.8 36.6 68.4 204 213 A V H X S+ 0 0 1 -4,-1.8 4,-3.0 -5,-0.2 5,-0.3 0.943 116.5 43.3 -68.1 -48.8 44.3 34.3 65.4 205 214 A V H X S+ 0 0 9 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.833 110.0 57.5 -69.3 -28.3 47.6 35.8 64.4 206 215 A A H < S+ 0 0 66 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.912 116.5 35.4 -66.6 -39.7 48.8 36.0 68.0 207 216 A E H < S+ 0 0 127 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.909 135.9 18.7 -80.8 -44.2 48.3 32.2 68.4 208 217 A Y H >< S- 0 0 34 -4,-3.0 3,-2.0 1,-0.2 4,-0.4 0.389 80.8-172.6-112.1 3.6 49.3 30.9 64.9 209 218 A G G >< S- 0 0 27 -4,-2.0 3,-1.6 -5,-0.3 -1,-0.2 -0.045 73.1 -2.9 43.0-131.4 51.3 33.7 63.4 210 219 A D G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -17,-0.1 4,-0.1 0.668 117.4 81.5 -65.5 -18.2 52.1 33.1 59.7 211 220 A D G < S+ 0 0 115 -3,-2.0 2,-0.9 1,-0.1 -1,-0.3 0.807 84.7 68.7 -56.6 -27.9 50.5 29.7 59.8 212 221 A A S < S- 0 0 0 -3,-1.6 -1,-0.1 -4,-0.4 -4,-0.0 -0.840 88.0-151.8 -93.4 103.6 47.3 31.7 59.3 213 222 A T > - 0 0 64 -2,-0.9 4,-2.4 1,-0.1 5,-0.2 -0.251 24.3-110.7 -74.3 166.0 47.7 33.1 55.8 214 223 A D H > S+ 0 0 67 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.881 119.5 55.2 -63.2 -38.7 46.1 36.3 54.6 215 224 A E H > S+ 0 0 109 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.919 108.6 47.6 -60.0 -44.9 43.7 34.3 52.4 216 225 A E H > S+ 0 0 37 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.958 113.4 47.2 -61.1 -50.0 42.5 32.4 55.4 217 226 A L H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.885 112.6 49.5 -60.3 -39.6 42.1 35.5 57.5 218 227 A R H X S+ 0 0 46 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.936 112.4 48.7 -64.8 -43.5 40.2 37.2 54.6 219 228 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.933 110.7 50.0 -60.8 -47.2 38.1 34.2 54.3 220 229 A F H X S+ 0 0 1 -4,-3.2 4,-2.8 1,-0.2 5,-0.3 0.935 109.4 52.1 -57.3 -48.8 37.4 34.1 58.0 221 230 A C H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.917 112.9 42.3 -55.0 -50.4 36.4 37.8 58.1 222 231 A V H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.957 114.4 50.8 -63.5 -51.1 33.9 37.6 55.3 223 232 A Q H X S+ 0 0 30 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.907 114.0 44.9 -53.5 -46.3 32.4 34.3 56.5 224 233 A V H X S+ 0 0 15 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.917 110.9 53.6 -65.3 -43.0 31.9 35.7 60.0 225 234 A M H < S+ 0 0 0 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.864 115.7 40.1 -60.8 -35.4 30.5 39.0 58.6 226 235 A L H >< S+ 0 0 62 -4,-2.4 3,-0.5 -5,-0.1 4,-0.4 0.782 113.8 52.8 -84.6 -28.8 27.9 37.1 56.6 227 236 A A H 3< S+ 0 0 58 -4,-2.2 4,-0.3 -5,-0.3 -2,-0.2 0.814 110.1 44.6 -78.7 -27.5 27.1 34.5 59.2 228 237 A G T 3< S+ 0 0 18 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.1 0.133 101.2 63.6-108.7 24.3 26.3 36.8 62.2 229 238 A D S <> S+ 0 0 17 -3,-0.5 4,-2.7 3,-0.1 3,-0.3 0.819 101.0 34.5-107.3 -71.5 24.2 39.6 60.7 230 239 A D H > S+ 0 0 50 -4,-0.4 4,-2.8 1,-0.2 5,-0.2 0.869 115.3 57.4 -54.3 -43.5 20.8 38.4 59.4 231 240 A N H > S+ 0 0 59 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.933 112.8 41.2 -54.9 -45.7 20.4 35.7 62.0 232 241 A I H > S+ 0 0 9 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.927 113.1 50.1 -71.5 -47.1 20.7 38.4 64.7 233 242 A S H X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.920 112.5 50.8 -58.2 -39.3 18.6 41.1 63.1 234 243 A G H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 5,-0.5 0.944 111.0 47.5 -62.6 -46.4 15.9 38.5 62.6 235 244 A M H X S+ 0 0 9 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.888 110.7 51.3 -62.8 -38.9 16.1 37.4 66.3 236 245 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 3,-0.2 5,-0.2 0.960 116.2 40.7 -63.5 -49.8 16.0 41.0 67.6 237 246 A G H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.979 123.1 36.2 -63.3 -58.2 12.9 41.8 65.6 238 247 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 -5,-0.2 5,-0.2 0.877 116.0 58.6 -63.4 -35.3 10.9 38.6 66.0 239 248 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.5 -1,-0.2 0.908 107.0 44.5 -61.0 -45.2 12.2 38.4 69.5 240 249 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.893 114.7 50.2 -67.7 -36.1 10.8 41.7 70.6 241 250 A L H X S+ 0 0 2 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.945 110.0 49.8 -66.7 -44.9 7.5 40.9 68.8 242 251 A A H < S+ 0 0 0 -4,-3.2 4,-0.4 1,-0.2 -1,-0.2 0.899 112.8 47.3 -60.1 -40.8 7.4 37.5 70.6 243 252 A M H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 7,-0.2 0.891 107.8 54.2 -70.2 -38.6 8.0 39.1 73.9 244 253 A L H 3< S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.793 106.2 54.5 -66.7 -22.4 5.4 41.9 73.4 245 254 A R T 3< S+ 0 0 112 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.608 118.6 33.8 -85.2 -8.3 2.9 39.1 72.7 246 255 A H S X S+ 0 0 60 -3,-1.2 3,-1.8 -4,-0.4 4,-0.3 -0.507 75.0 167.9-141.2 62.8 3.7 37.5 76.0 247 256 A P G > S+ 0 0 79 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.704 70.5 65.1 -51.1 -30.5 4.4 40.6 78.2 248 257 A E G > S+ 0 0 163 1,-0.3 3,-1.2 2,-0.2 4,-0.1 0.847 95.8 59.3 -66.3 -30.0 4.4 38.7 81.4 249 258 A Q G X S+ 0 0 38 -3,-1.8 3,-1.7 1,-0.3 -1,-0.3 0.585 82.0 83.6 -75.5 -8.4 7.5 36.8 80.2 250 259 A I G X S+ 0 0 6 -3,-1.2 3,-2.3 -4,-0.3 4,-0.3 0.720 71.2 79.3 -67.3 -18.2 9.4 40.1 79.9 251 260 A D G X S+ 0 0 92 -3,-1.2 3,-1.9 1,-0.3 -1,-0.3 0.804 76.4 72.6 -60.7 -23.9 10.0 39.7 83.7 252 261 A A G < S+ 0 0 14 -3,-1.7 -1,-0.3 1,-0.3 3,-0.3 0.654 98.8 47.5 -65.7 -12.2 12.8 37.3 82.7 253 262 A F G < S+ 0 0 10 -3,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.404 101.9 64.7-105.9 1.1 14.7 40.3 81.5 254 263 A R S < S+ 0 0 128 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.1 0.068 104.7 45.0-106.3 20.3 14.1 42.3 84.7 255 264 A G S S- 0 0 49 1,-0.4 -3,-0.1 -3,-0.3 -2,-0.0 -0.183 100.3 -20.1-132.6-135.6 16.0 39.9 86.9 256 265 A D > - 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