==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(OXYGENASE) 27-JUL-92 1PHG . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR T.L.POULOS . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.9 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 . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 1 1 2 0 0 2 0 2 2 0 1 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 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 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 10 A N 0 0 189 0, 0.0 49,-0.5 0, 0.0 50,-0.4 0.000 360.0 360.0 360.0 86.0 46.5 25.7 32.2 2 11 A L - 0 0 81 47,-0.1 47,-0.2 48,-0.1 3,-0.0 -0.791 360.0-132.3-100.2 134.4 44.8 23.5 29.7 3 12 A A - 0 0 25 45,-2.7 2,-0.0 -2,-0.4 49,-0.0 -0.722 36.0 -93.0 -88.3 144.6 41.0 23.7 29.3 4 13 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.370 51.3-101.2 -57.0 135.2 39.1 20.5 29.2 5 14 A L - 0 0 59 1,-0.1 6,-0.0 2,-0.1 43,-0.0 -0.389 34.8-119.7 -64.8 132.8 38.6 19.3 25.6 6 15 A P > - 0 0 30 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.403 28.4-107.6 -66.3 161.9 35.1 20.0 24.1 7 16 A P T 3 S+ 0 0 136 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.774 112.7 57.5 -62.6 -36.2 33.1 17.0 23.0 8 17 A H T 3 S+ 0 0 41 2,-0.1 294,-0.3 1,-0.0 -3,-0.0 0.484 83.6 96.2 -77.6 -5.6 33.5 17.6 19.3 9 18 A V S < S- 0 0 8 -3,-1.5 2,-0.1 292,-0.1 5,-0.1 -0.819 71.7-134.2 -96.6 115.4 37.3 17.6 19.2 10 19 A P > - 0 0 45 0, 0.0 3,-3.1 0, 0.0 4,-0.2 -0.365 18.3-129.5 -63.2 127.7 39.0 14.3 18.2 11 20 A E G > S+ 0 0 175 1,-0.3 3,-1.1 2,-0.2 35,-0.1 0.736 106.5 65.1 -55.3 -18.2 41.9 13.7 20.7 12 21 A H G 3 S+ 0 0 143 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.561 94.8 59.8 -81.2 -14.5 44.2 13.1 17.8 13 22 A L G < S+ 0 0 13 -3,-3.1 33,-2.5 32,-0.1 2,-0.3 0.409 80.4 112.7 -92.0 -5.0 43.7 16.7 16.8 14 23 A V B < +a 46 0A 36 -3,-1.1 2,-0.3 -4,-0.2 33,-0.2 -0.562 29.0 158.4 -73.4 132.0 45.1 18.0 20.1 15 24 A F - 0 0 58 31,-2.6 2,-1.7 -2,-0.3 30,-0.1 -0.908 35.6-139.4-150.9 103.1 48.4 19.9 19.9 16 25 A D + 0 0 57 -2,-0.3 2,-0.3 31,-0.2 31,-0.1 -0.450 34.1 166.5 -80.3 75.3 48.9 22.2 23.0 17 26 A F - 0 0 9 -2,-1.7 2,-0.6 32,-0.1 32,-0.4 -0.612 25.6-153.6 -82.9 131.0 50.4 25.3 21.5 18 27 A D > - 0 0 46 -2,-0.3 3,-2.1 1,-0.1 -2,-0.1 -0.867 1.9-164.3-110.1 97.3 50.5 28.5 23.6 19 28 A M T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 366,-0.1 0.723 92.1 49.8 -57.5 -21.3 50.6 31.5 21.2 20 29 A Y T 3 S+ 0 0 42 1,-0.2 364,-0.3 -3,-0.1 -1,-0.3 0.556 128.4 16.8 -92.0 -17.6 51.7 33.6 24.1 21 30 A N S < S- 0 0 102 -3,-2.1 -1,-0.2 362,-0.1 -2,-0.2 -0.313 76.9-171.4-159.1 68.1 54.5 31.4 25.2 22 31 A P > - 0 0 3 0, 0.0 3,-1.1 0, 0.0 11,-0.1 -0.179 30.4-117.7 -61.7 155.8 55.6 28.8 22.7 23 32 A S T 3 S+ 0 0 117 1,-0.3 3,-0.3 9,-0.2 10,-0.1 0.812 105.4 48.4 -65.5 -43.1 58.0 26.2 23.7 24 33 A N T > + 0 0 80 8,-0.2 3,-2.0 1,-0.2 -1,-0.3 -0.001 67.0 135.0 -90.0 27.2 61.0 26.9 21.5 25 34 A L G X + 0 0 29 -3,-1.1 3,-3.0 1,-0.3 357,-0.2 0.846 64.9 63.1 -48.3 -42.7 61.1 30.6 22.2 26 35 A S G 3 S+ 0 0 130 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.749 97.6 56.0 -46.0 -43.2 64.9 30.6 22.7 27 36 A A G < S- 0 0 56 -3,-2.0 -1,-0.3 1,-0.3 4,-0.2 0.425 128.9 -80.5 -68.5 -12.1 65.5 29.4 19.0 28 37 A G <> - 0 0 6 -3,-3.0 4,-2.5 -4,-0.2 -1,-0.3 -0.123 38.7 -92.9 117.0 149.9 63.5 32.5 17.8 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.918 122.9 47.3 -66.2 -49.3 59.8 33.3 17.5 30 39 A Q H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 114.4 50.2 -57.7 -44.1 59.3 32.2 13.9 31 40 A E H 4 S+ 0 0 59 2,-0.2 4,-0.2 1,-0.2 -2,-0.2 0.902 107.9 53.4 -62.3 -43.5 61.2 28.9 14.8 32 41 A A H >< S+ 0 0 1 -4,-2.5 3,-0.8 1,-0.2 -8,-0.2 0.870 112.9 42.8 -58.3 -48.8 58.9 28.4 17.8 33 42 A W H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.781 101.0 70.0 -64.2 -38.9 55.7 28.7 15.7 34 43 A A G >< S+ 0 0 20 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.448 76.4 81.9 -57.4 -13.0 57.1 26.5 12.9 35 44 A V G X S+ 0 0 31 -3,-0.8 3,-1.3 1,-0.3 -1,-0.3 0.775 81.3 66.6 -61.0 -33.0 56.9 23.5 15.2 36 45 A L G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.512 97.0 54.9 -60.8 -17.0 53.2 23.5 14.1 37 46 A Q G < S+ 0 0 7 -3,-1.4 -1,-0.2 -4,-0.1 -2,-0.2 0.261 79.1 119.9-106.9 10.8 54.4 22.6 10.6 38 47 A E S X S- 0 0 105 -3,-1.3 3,-2.4 1,-0.1 -3,-0.0 -0.479 79.9-106.5 -66.8 152.1 56.4 19.5 11.6 39 48 A S T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.736 117.1 62.2 -45.1 -39.8 55.3 16.2 10.0 40 49 A N T 3 S+ 0 0 117 2,-0.0 -1,-0.3 1,-0.0 -2,-0.1 0.483 90.4 88.0 -71.4 -5.2 53.8 14.9 13.3 41 50 A V S < S- 0 0 6 -3,-2.4 -28,-0.1 -6,-0.1 4,-0.1 -0.869 75.6-130.9-109.2 125.2 51.3 17.8 13.3 42 51 A P - 0 0 45 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.257 28.4-111.6 -66.1 153.4 47.9 17.7 11.6 43 52 A D S S+ 0 0 52 1,-0.2 14,-2.7 13,-0.1 15,-0.4 0.687 108.3 32.9 -54.5 -32.1 47.0 20.6 9.3 44 53 A L E S+ B 0 56A 6 12,-0.2 2,-0.2 13,-0.1 12,-0.2 -0.975 79.8 173.8-138.3 111.7 44.3 21.7 11.7 45 54 A V E - B 0 55A 0 10,-1.9 10,-1.8 -2,-0.4 2,-0.4 -0.721 27.1-130.2-118.0 166.0 44.8 21.2 15.4 46 55 A W E -aB 14 54A 11 -33,-2.5 -31,-2.6 -2,-0.2 2,-0.4 -0.983 18.8-160.1-114.5 136.6 43.1 22.1 18.7 47 56 A T E - B 0 53A 0 6,-3.2 6,-1.7 -2,-0.4 -31,-0.2 -0.915 12.8-154.6-118.9 143.9 45.1 23.7 21.5 48 57 A R > + 0 0 81 -2,-0.4 -45,-2.7 4,-0.2 3,-0.5 0.299 66.1 101.0 -92.3 -2.6 43.8 23.6 25.0 49 58 A C G > S+ 0 0 10 -32,-0.4 3,-1.8 1,-0.2 -2,-0.1 -0.548 79.7 21.0 -79.2 157.8 45.8 26.7 26.0 50 59 A N G 3 S- 0 0 43 -49,-0.5 31,-0.3 1,-0.3 -1,-0.2 0.843 142.9 -50.3 52.4 37.0 44.3 30.1 26.3 51 60 A G G < S- 0 0 56 -3,-0.5 -1,-0.3 -50,-0.4 -2,-0.2 0.353 100.6 -67.8 85.6 -2.6 40.9 28.5 26.7 52 61 A G < + 0 0 8 -3,-1.8 256,-0.3 1,-0.1 2,-0.3 0.549 66.4 157.0 91.4 126.8 40.9 26.1 23.7 53 62 A H E -B 47 0A 0 -6,-1.7 -6,-3.2 254,-0.1 256,-0.2 -0.922 38.8-101.4-166.3 164.7 40.8 27.1 20.0 54 63 A W E -Bc 46 309A 0 254,-2.4 256,-3.1 -2,-0.3 2,-0.4 -0.473 25.4-160.3 -90.1 159.4 41.8 25.7 16.6 55 64 A I E -Bc 45 310A 0 -10,-1.8 -10,-1.9 254,-0.2 2,-0.5 -0.959 10.4-146.2-140.3 123.0 44.9 26.7 14.7 56 65 A A E -B 44 0A 0 254,-1.7 -12,-0.2 -2,-0.4 -13,-0.1 -0.852 14.4-168.9 -86.0 131.8 45.2 26.2 10.9 57 66 A T + 0 0 0 -14,-2.7 2,-0.3 -2,-0.5 -13,-0.1 0.421 54.0 72.2-104.0 -5.3 48.9 25.4 10.2 58 67 A R S >> S- 0 0 4 -15,-0.4 4,-2.2 1,-0.1 3,-0.6 -0.886 76.9-124.4-124.0 145.1 49.2 25.6 6.4 59 68 A G H 3> S+ 0 0 0 -2,-0.3 4,-2.1 257,-0.3 5,-0.2 0.814 110.0 56.9 -50.4 -37.9 49.2 28.4 4.0 60 69 A Q H 3> S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 109.7 41.6 -64.1 -46.3 46.4 26.8 2.0 61 70 A L H <> S+ 0 0 1 -3,-0.6 4,-3.1 2,-0.2 5,-0.2 0.866 113.4 54.0 -70.0 -42.6 44.0 26.6 4.9 62 71 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.922 111.2 43.9 -59.2 -51.6 44.9 30.1 6.2 63 72 A R H X S+ 0 0 50 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.948 115.2 50.9 -59.5 -44.7 44.2 31.7 2.9 64 73 A E H >X S+ 0 0 75 -4,-1.8 4,-1.6 1,-0.2 3,-0.6 0.912 111.7 44.9 -59.3 -50.3 41.0 29.7 2.5 65 74 A A H 3< S+ 0 0 1 -4,-3.1 -1,-0.2 1,-0.3 7,-0.2 0.842 112.8 54.6 -62.9 -37.1 39.7 30.6 6.0 66 75 A Y H 3< S+ 0 0 7 -4,-2.2 279,-0.5 -5,-0.2 280,-0.3 0.685 109.1 45.8 -65.0 -34.3 40.6 34.2 5.3 67 76 A E H << S+ 0 0 120 -4,-1.3 2,-1.3 -3,-0.6 -1,-0.2 0.762 100.5 74.3 -75.4 -37.4 38.7 34.4 2.1 68 77 A D >X + 0 0 37 -4,-1.6 4,-2.3 1,-0.2 3,-0.5 -0.689 47.9 156.8 -76.3 53.6 35.6 32.7 3.7 69 78 A Y T 34 + 0 0 77 -2,-1.3 -1,-0.2 1,-0.2 5,-0.1 0.636 66.8 72.6 -63.0 -16.5 34.1 35.4 5.9 70 79 A R T 34 S+ 0 0 170 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.917 116.7 18.8 -59.4 -46.8 30.7 33.7 5.7 71 80 A H T <4 S+ 0 0 44 -3,-0.5 222,-2.1 1,-0.2 2,-0.8 0.799 127.0 52.4 -89.3 -41.1 32.0 31.0 8.0 72 81 A F E < S-D 292 0A 0 -4,-2.3 2,-0.3 -7,-0.2 -1,-0.2 -0.869 79.0-165.6-102.4 94.9 35.0 32.6 9.6 73 82 A S E > -D 291 0A 4 218,-3.1 218,-2.2 -2,-0.8 3,-0.7 -0.609 26.7-143.5 -89.5 148.6 33.9 36.0 11.0 74 83 A S T 3 S+ 0 0 0 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.351 78.0 103.1 -82.8 2.0 36.1 38.9 12.1 75 84 A E T 3 S+ 0 0 118 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.855 95.4 18.9 -55.0 -39.4 33.6 39.5 14.9 76 85 A C S < S+ 0 0 1 -3,-0.7 -1,-0.3 1,-0.1 8,-0.2 -0.839 77.5 158.7-135.1 85.0 35.8 38.0 17.6 77 86 A P + 0 0 2 0, 0.0 212,-2.7 0, 0.0 2,-0.4 0.542 48.5 73.6 -93.8 -6.5 39.3 37.9 16.0 78 87 A F S S- 0 0 14 210,-0.2 6,-0.7 3,-0.1 7,-0.1 -0.876 75.5-112.7-118.0 146.0 41.5 37.7 19.1 79 88 A I S S+ 0 0 3 -2,-0.4 2,-0.2 4,-0.2 -28,-0.1 -0.891 90.5 56.6-112.1 135.0 42.2 34.8 21.5 80 89 A P S >> S- 0 0 34 0, 0.0 4,-2.1 0, 0.0 3,-1.1 0.555 90.4-124.4 -72.6 168.1 41.5 34.4 24.3 81 90 A R H 3> S+ 0 0 80 -31,-0.3 4,-2.3 1,-0.3 -3,-0.1 0.782 106.6 59.1 -52.5 -45.0 37.8 34.8 23.8 82 91 A E H 3> S+ 0 0 129 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.809 109.1 46.1 -54.6 -38.5 37.4 37.7 26.3 83 92 A A H <> S+ 0 0 9 -3,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.938 113.7 47.4 -68.2 -50.7 39.9 39.7 24.3 84 93 A G H < S+ 0 0 0 -4,-2.1 -2,-0.2 -6,-0.7 -1,-0.2 0.808 113.4 52.7 -58.9 -32.6 38.1 38.8 21.0 85 94 A E H < S+ 0 0 137 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.968 110.7 42.1 -64.5 -52.8 34.9 39.7 22.8 86 95 A A H < S+ 0 0 22 -4,-2.2 2,-0.4 -5,-0.1 -2,-0.2 0.622 91.5 111.4 -67.5 -21.4 36.0 43.1 23.9 87 96 A Y < + 0 0 13 -4,-1.7 -9,-0.0 1,-0.1 98,-0.0 -0.480 28.5 150.8 -64.0 124.2 37.6 43.7 20.5 88 97 A D + 0 0 39 -2,-0.4 -1,-0.1 143,-0.1 5,-0.1 0.210 16.8 142.5-140.5 21.3 35.6 46.4 18.6 89 98 A F > - 0 0 4 3,-0.1 4,-2.9 145,-0.1 143,-0.2 -0.138 49.1 -98.5 -61.4 153.9 38.1 48.1 16.3 90 99 A I T 4 S+ 0 0 0 141,-1.7 145,-0.3 1,-0.3 -2,-0.1 -0.960 95.7 4.2-120.2 141.3 36.9 49.1 12.8 91 100 A P T >4 S+ 0 0 6 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 -0.976 124.8 66.0 -87.1 5.2 37.2 47.9 10.1 92 101 A T T 34 S+ 0 0 34 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.775 98.6 48.3 -64.3 -34.6 38.8 44.9 11.8 93 102 A S T 3< S+ 0 0 19 -4,-2.9 2,-0.3 -5,-0.1 -1,-0.3 0.233 102.5 84.0 -93.1 23.6 35.9 43.5 13.8 94 103 A M < - 0 0 15 -3,-1.4 -6,-0.0 -5,-0.1 -5,-0.0 -0.919 63.7-146.1-125.4 151.7 33.5 43.7 10.8 95 104 A D > - 0 0 33 -2,-0.3 4,-1.7 1,-0.1 3,-0.4 -0.626 43.1 -56.7-108.3 156.6 32.8 41.4 7.8 96 105 A P T 4 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.320 113.5 33.4 -61.9 148.9 31.8 42.5 4.3 97 106 A P T >4 S+ 0 0 113 0, 0.0 3,-0.6 0, 0.0 4,-0.4 -0.990 127.4 42.0 -88.5 -11.0 29.7 44.2 3.1 98 107 A E T >> S+ 0 0 120 -3,-0.4 3,-1.0 1,-0.2 4,-0.8 0.874 109.0 59.9 -57.8 -48.1 29.7 46.4 6.2 99 108 A Q H 3X S+ 0 0 7 -4,-1.7 4,-2.3 1,-0.2 3,-0.3 0.843 90.5 74.1 -48.8 -41.2 33.5 46.5 6.5 100 109 A R H <> S+ 0 0 170 -3,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.689 92.4 48.7 -47.7 -45.6 33.8 48.0 3.0 101 110 A Q H <> S+ 0 0 50 -3,-1.0 4,-1.3 -4,-0.4 -1,-0.2 0.886 114.0 45.7 -69.9 -44.4 32.7 51.6 3.8 102 111 A F H X S+ 0 0 9 -4,-0.8 4,-2.1 -3,-0.3 -2,-0.2 0.830 111.2 54.1 -66.8 -34.9 34.9 51.9 6.8 103 112 A R H X S+ 0 0 65 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.955 103.0 56.3 -61.5 -48.4 37.9 50.4 4.8 104 113 A A H X S+ 0 0 55 -4,-1.7 4,-0.7 1,-0.3 -1,-0.2 0.849 111.1 44.4 -49.4 -41.3 37.4 53.0 2.1 105 114 A L H >X S+ 0 0 2 -4,-1.3 4,-0.9 2,-0.2 3,-0.5 0.852 110.4 52.3 -71.2 -48.7 37.8 55.8 4.7 106 115 A A H >X S+ 0 0 2 -4,-2.1 4,-1.2 1,-0.3 3,-0.8 0.910 106.9 56.2 -58.2 -34.5 40.8 54.2 6.5 107 116 A N H 3X S+ 0 0 72 -4,-3.3 4,-1.9 1,-0.3 -1,-0.3 0.826 96.7 63.2 -61.7 -37.5 42.4 54.0 3.1 108 117 A Q H << S+ 0 0 122 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.850 110.8 38.9 -54.6 -44.2 41.9 57.7 2.6 109 118 A V H << S+ 0 0 6 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.547 130.9 19.8 -77.8 -37.9 44.3 58.3 5.6 110 119 A V H < S+ 0 0 14 -4,-1.2 243,-0.4 -3,-0.2 242,-0.2 0.313 95.5 112.7-113.7 -12.1 47.0 55.6 5.2 111 120 A G S >X S- 0 0 0 -4,-1.9 4,-1.4 -5,-0.3 3,-0.9 0.048 85.6 -75.3 -58.5-172.7 46.8 54.6 1.5 112 121 A M H 3> S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.823 125.1 57.5 -49.7 -56.3 49.3 55.2 -1.3 113 122 A P H 3> S+ 0 0 102 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.824 107.0 50.9 -52.2 -33.6 48.7 58.9 -1.8 114 123 A V H <> S+ 0 0 24 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.870 110.2 48.1 -70.9 -44.3 49.6 59.6 1.9 115 124 A V H X S+ 0 0 5 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.912 108.3 55.0 -59.2 -49.9 52.8 57.7 1.7 116 125 A D H < S+ 0 0 115 -4,-2.7 4,-0.3 1,-0.2 3,-0.3 0.840 111.8 45.1 -50.8 -37.6 53.7 59.5 -1.5 117 126 A K H < S+ 0 0 159 -4,-1.2 3,-0.3 1,-0.2 -1,-0.2 0.813 115.5 46.4 -76.1 -37.8 53.2 62.8 0.4 118 127 A L H >X S+ 0 0 7 -4,-2.0 4,-1.8 1,-0.2 3,-1.0 0.519 82.1 101.9 -87.7 -5.5 55.1 61.6 3.5 119 128 A E H 3X S+ 0 0 60 -4,-1.3 4,-2.4 1,-0.3 5,-0.2 0.808 78.5 49.1 -48.4 -56.6 58.1 60.2 1.7 120 129 A N H 3> S+ 0 0 135 -3,-0.3 4,-2.3 -4,-0.3 -1,-0.3 0.830 111.5 51.1 -58.1 -34.1 60.6 63.1 2.2 121 130 A R H <> S+ 0 0 120 -3,-1.0 4,-2.7 -4,-0.2 -1,-0.2 0.827 108.9 51.2 -70.8 -37.7 59.8 63.1 6.0 122 131 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 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-2,-0.2 0.755 114.7 42.4 -65.8 -28.0 73.0 60.6 15.1 133 142 A L H XX>S+ 0 0 10 -3,-1.6 3,-1.7 -4,-0.6 5,-0.5 0.807 95.7 80.8 -86.4 -38.7 73.7 57.0 15.9 134 143 A R G ><5S+ 0 0 39 -4,-2.9 3,-0.9 1,-0.3 -2,-0.1 0.757 89.1 47.3 -35.4 -56.9 76.7 56.4 13.6 135 144 A P G 345S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.693 100.0 70.4 -75.8 -5.4 79.5 57.9 15.6 136 145 A Q G <45S- 0 0 116 -3,-1.7 -2,-0.2 -4,-0.1 261,-0.1 0.789 85.6-146.2 -79.1 -28.3 78.5 56.1 18.7 137 146 A G T <<5S+ 0 0 9 -3,-0.9 260,-1.7 -4,-0.5 2,-0.3 0.707 73.5 54.6 67.0 15.9 79.5 52.6 17.5 138 147 A Q E < +F 396 0B 130 -5,-0.5 2,-0.3 258,-0.2 258,-0.2 -0.924 54.5 158.2-174.2 137.5 76.6 51.2 19.6 139 148 A C E -F 395 0B 13 256,-1.6 256,-2.6 -2,-0.3 2,-0.8 -0.925 46.5-111.5-142.1-171.8 72.9 51.4 20.2 140 149 A N E > -F 394 0B 30 -2,-0.3 4,-4.0 254,-0.2 5,-0.3 -0.904 36.8-162.5-106.6 63.6 69.8 49.6 21.5 141 150 A F H >>S+ 0 0 0 252,-2.6 5,-3.0 -2,-0.8 4,-1.9 0.834 84.3 54.2 -37.4 -38.9 68.2 49.3 18.0 142 151 A T H 4>S+ 0 0 10 2,-0.2 5,-1.9 1,-0.2 3,-0.2 0.984 123.1 25.6 -63.6 -55.4 64.8 48.6 19.5 143 152 A E H 45S+ 0 0 112 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.806 125.4 51.0 -76.7 -33.4 64.8 51.7 21.6 144 153 A D H <5S- 0 0 56 -4,-4.0 -3,-0.2 3,-0.1 -1,-0.2 0.529 133.9 -12.7 -73.9 -25.7 67.1 53.7 19.5 145 154 A Y T X5S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 -3,-0.2 0.415 122.1 64.5-142.3 -57.6 65.6 53.4 16.0 146 155 A A T 4 S+ 0 0 25 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.832 109.7 60.3 -54.5 -50.2 61.2 56.3 17.2 149 158 A F H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -3,-0.1 0.968 116.2 26.3 -46.1 -71.0 61.4 55.9 13.4 150 159 A P H > S+ 0 0 1 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.848 123.2 55.3 -65.8 -33.8 57.9 54.4 12.7 151 160 A I H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.913 106.3 46.7 -67.3 -53.5 56.4 56.0 15.8 152 161 A R H X S+ 0 0 86 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.825 110.7 53.8 -57.3 -37.8 57.3 59.6 15.1 153 162 A I H X S+ 0 0 1 -4,-1.4 4,-1.3 -5,-0.3 -1,-0.2 0.795 111.7 45.9 -66.3 -34.6 56.1 59.3 11.5 154 163 A F H X S+ 0 0 9 -4,-1.3 4,-2.9 2,-0.2 5,-0.2 0.920 109.2 53.5 -69.1 -48.9 52.8 58.1 12.8 155 164 A M H X>S+ 0 0 3 -4,-3.0 5,-2.1 1,-0.3 4,-0.9 0.916 110.6 49.5 -55.7 -34.7 52.6 60.8 15.5 156 165 A L H <5S+ 0 0 74 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.876 112.2 46.3 -70.7 -40.5 53.2 63.3 12.6 157 166 A L H <5S+ 0 0 17 -4,-1.3 53,-2.3 1,-0.2 -1,-0.2 0.899 117.9 42.5 -68.0 -44.5 50.5 61.8 10.4 158 167 A A H <5S- 0 0 0 -4,-2.9 53,-0.4 51,-0.2 -1,-0.2 0.467 106.5-126.9 -80.4 -17.8 48.0 61.6 13.3 159 168 A G T <5 + 0 0 36 -4,-0.9 -3,-0.2 -5,-0.2 -4,-0.1 0.893 59.5 143.2 67.6 45.5 48.9 65.0 14.6 160 169 A L < - 0 0 11 -5,-2.1 2,-0.2 -6,-0.1 -1,-0.2 -0.866 55.6 -94.1-118.8 153.5 49.6 63.8 18.1 161 170 A P > - 0 0 47 0, 0.0 3,-2.9 0, 0.0 4,-0.4 -0.416 17.8-138.1 -69.3 135.2 52.2 64.9 20.6 162 171 A E G > S+ 0 0 97 1,-0.3 3,-1.8 -2,-0.2 -7,-0.0 0.820 102.8 72.2 -55.9 -27.2 55.5 63.0 20.8 163 172 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.741 89.4 59.9 -61.3 -28.2 55.1 63.3 24.6 164 173 A D G X> S+ 0 0 45 -3,-2.9 4,-2.7 1,-0.2 3,-0.9 0.607 77.6 96.9 -79.5 -10.8 52.3 60.7 24.4 165 174 A I H <> S+ 0 0 34 -3,-1.8 4,-2.7 -4,-0.4 5,-0.3 0.826 81.1 47.0 -42.6 -56.3 54.5 58.0 23.0 166 175 A P H 3> S+ 0 0 96 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.781 115.2 44.4 -61.3 -38.1 55.4 56.2 26.2 167 176 A H H <> S+ 0 0 98 -3,-0.9 4,-1.8 -4,-0.2 -2,-0.2 0.965 116.7 46.0 -75.2 -45.9 51.8 56.0 27.5 168 177 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -3,-0.2 0.845 111.7 50.9 -63.5 -42.2 50.4 55.0 24.1 169 178 A K H X S+ 0 0 14 -4,-2.7 4,-2.8 -5,-0.3 -1,-0.2 0.943 106.7 55.3 -65.8 -41.3 53.0 52.4 23.4 170 179 A Y H X S+ 0 0 98 -4,-1.6 4,-1.2 -5,-0.3 -1,-0.2 0.924 111.6 43.1 -55.9 -52.0 52.5 50.8 26.8 171 180 A L H X S+ 0 0 6 -4,-1.8 4,-0.6 2,-0.2 -1,-0.3 0.822 111.5 53.9 -63.2 -39.3 48.8 50.4 26.2 172 181 A T H >X S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 4,-1.1 0.925 106.7 54.3 -61.6 -41.8 49.4 49.1 22.6 173 182 A D H 3X S+ 0 0 41 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.744 98.8 61.1 -60.8 -37.1 51.7 46.5 24.0 174 183 A Q H 3< S+ 0 0 9 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.746 103.1 52.9 -63.2 -29.2 49.1 45.2 26.4 175 184 A M H << S+ 0 0 4 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.2 0.855 121.2 25.3 -76.9 -40.4 46.8 44.2 23.5 176 185 A T H < S+ 0 0 3 -4,-1.1 210,-2.3 1,-0.2 211,-0.3 0.807 137.0 23.9 -97.2 -37.3 49.3 42.2 21.4 177 186 A R S < S- 0 0 27 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.466 85.3-156.9-133.8 63.4 51.8 40.9 24.0 178 187 A P - 0 0 53 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.038 12.1-164.6 -47.5 138.0 49.9 41.0 27.3 179 188 A D - 0 0 104 3,-0.2 4,-0.1 -5,-0.0 -5,-0.1 0.640 43.7-110.1 -93.3 -36.7 51.9 41.2 30.4 180 189 A G S S+ 0 0 75 2,-0.5 3,-0.1 -6,-0.1 -6,-0.0 0.128 98.8 103.3 109.1 -11.4 49.2 40.2 32.9 181 190 A S S S+ 0 0 63 1,-0.2 2,-0.3 2,-0.0 -7,-0.0 0.724 90.6 12.9 -69.4 -31.3 49.3 43.8 34.2 182 191 A M S S- 0 0 38 -8,-0.1 -2,-0.5 -11,-0.0 -1,-0.2 -0.989 73.1-121.8-151.3 146.3 46.1 44.6 32.4 183 192 A T > - 0 0 84 -2,-0.3 4,-2.3 -3,-0.1 5,-0.2 -0.367 37.2-108.3 -75.4 160.3 43.2 42.8 30.6 184 193 A F H > S+ 0 0 19 1,-0.2 4,-3.2 2,-0.2 5,-0.1 0.906 119.5 52.0 -58.1 -48.1 42.4 43.6 27.0 185 194 A A H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.853 110.0 47.5 -62.4 -39.1 39.3 45.5 27.9 186 195 A E H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.915 114.7 47.0 -64.1 -47.9 41.1 47.7 30.4 187 196 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.916 113.8 48.9 -60.4 -45.8 43.9 48.4 27.8 188 197 A K H X S+ 0 0 17 -4,-3.2 4,-1.4 2,-0.2 -2,-0.2 0.850 110.1 50.4 -63.9 -42.1 41.2 49.1 25.3 189 198 A E H X S+ 0 0 87 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.923 108.7 52.0 -62.2 -43.2 39.3 51.4 27.6 190 199 A A H X S+ 0 0 30 -4,-2.4 4,-1.1 2,-0.3 -1,-0.2 0.777 108.7 48.8 -65.1 -38.4 42.4 53.4 28.4 191 200 A L H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.3 0.792 111.3 53.6 -68.9 -35.8 43.3 54.0 24.8 192 201 A Y H X S+ 0 0 2 -4,-1.4 4,-2.2 2,-0.2 -2,-0.3 0.872 103.2 54.1 -64.6 -38.6 39.7 55.1 24.4 193 202 A D H < S+ 0 0 111 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.807 109.9 50.3 -63.4 -38.4 40.0 57.6 27.2 194 203 A Y H X S+ 0 0 31 -4,-1.1 4,-0.8 -5,-0.2 -2,-0.2 0.977 114.4 42.1 -57.4 -61.6 42.9 59.1 25.4 195 204 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.835 97.6 71.2 -62.4 -49.6 41.1 59.3 22.0 196 205 A I H X S+ 0 0 65 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.872 100.0 44.3 -36.1 -62.0 37.6 60.6 22.9 197 206 A P H > S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.927 114.6 51.7 -52.6 -47.8 38.6 64.2 23.9 198 207 A I H X S+ 0 0 20 -4,-0.8 4,-1.5 1,-0.2 -2,-0.2 0.883 109.8 48.1 -57.5 -47.9 40.8 64.4 20.8 199 208 A I H X S+ 0 0 2 -4,-2.6 4,-0.6 1,-0.2 3,-0.2 0.904 110.3 51.8 -63.2 -45.5 38.1 63.3 18.5 200 209 A E H >X S+ 0 0 105 -4,-2.7 4,-2.0 1,-0.2 3,-1.1 0.916 109.9 49.4 -52.8 -51.0 35.6 65.7 20.0 201 210 A Q H 3X S+ 0 0 108 -4,-2.2 4,-2.6 1,-0.3 -1,-0.2 0.788 112.2 48.8 -57.1 -38.6 38.1 68.6 19.5 202 211 A R H 3< S+ 0 0 34 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.374 105.8 55.3 -89.6 -4.2 38.7 67.5 15.9 203 212 A R H << S+ 0 0 86 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.815 118.3 36.5 -89.9 -39.5 35.0 67.2 15.0 204 213 A Q H < S+ 0 0 149 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.924 134.1 24.2 -70.0 -55.4 34.6 70.8 16.2 205 214 A K S < S- 0 0 71 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.703 84.1-155.6-123.8 83.7 37.9 72.1 14.9 206 215 A P - 0 0 80 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.242 11.2-175.1 -63.1 137.8 39.3 70.0 12.0 207 216 A G - 0 0 39 -5,-0.2 -48,-0.0 2,-0.1 -5,-0.0 -0.115 40.8-105.7-103.8-157.6 42.9 69.8 11.0 208 217 A T S S+ 0 0 139 -2,-0.1 -49,-0.1 4,-0.1 2,-0.0 0.243 82.8 113.8-115.4 0.3 44.5 68.0 8.1 209 218 A D S > S- 0 0 23 -51,-0.1 4,-1.8 -50,-0.1 -51,-0.2 -0.182 83.8-102.9 -72.4 169.1 45.8 65.2 10.4 210 219 A A H > S+ 0 0 5 -53,-2.3 4,-1.8 2,-0.2 -52,-0.2 0.871 120.9 53.1 -62.2 -40.7 44.6 61.5 10.1 211 220 A I H > S+ 0 0 3 -53,-0.4 4,-3.2 1,-0.2 5,-0.2 0.920 107.8 51.1 -64.5 -42.1 42.3 61.8 13.2 212 221 A S H > S+ 0 0 2 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.862 111.6 47.0 -61.4 -42.1 40.6 65.0 11.8 213 222 A I H < S+ 0 0 64 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.788 115.1 46.1 -69.3 -41.1 39.9 63.2 8.5 214 223 A V H >< S+ 0 0 0 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