==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-AUG-10 3OIA . COMPND 2 MOLECULE: CAMPHOR 5-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR Y.-T.LEE,R.F.WILSON,E.C.GLAZER,D.B.GOODIN . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 67.4 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 . 31 7.7 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 . 15 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 3 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 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 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 0 183 0, 0.0 2,-0.6 0, 0.0 49,-0.4 0.000 360.0 360.0 360.0 131.2 23.0 37.7 31.1 2 11 A L - 0 0 89 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.890 360.0-131.9-114.2 116.1 24.3 34.3 32.0 3 12 A A - 0 0 25 45,-3.0 2,-0.1 -2,-0.6 49,-0.0 -0.290 43.9 -87.4 -58.1 144.2 23.0 32.3 35.0 4 13 A P - 0 0 119 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.362 49.2-108.1 -53.8 128.7 25.7 30.8 37.2 5 14 A L - 0 0 49 -3,-0.1 6,-0.0 1,-0.1 43,-0.0 -0.418 35.7-119.0 -60.4 121.4 26.7 27.4 35.8 6 15 A P > - 0 0 30 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.409 21.2-116.9 -63.2 144.3 25.4 24.6 38.1 7 16 A P T 3 S+ 0 0 141 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.756 111.9 56.8 -51.5 -30.2 28.1 22.5 39.7 8 17 A H T 3 S+ 0 0 51 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.605 87.5 89.9 -82.8 -10.4 26.8 19.3 38.0 9 18 A V S < S- 0 0 5 -3,-2.1 2,-0.1 292,-0.1 294,-0.1 -0.779 75.3-134.7 -92.2 117.9 27.1 20.8 34.4 10 19 A P > - 0 0 47 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.401 13.9-123.0 -73.0 145.9 30.5 20.2 32.8 11 20 A E G > S+ 0 0 137 1,-0.3 3,-1.8 2,-0.2 -2,-0.0 0.826 106.2 64.7 -49.8 -41.7 32.3 23.0 30.9 12 21 A H G 3 S+ 0 0 135 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.609 99.2 53.5 -66.4 -13.0 32.4 21.0 27.6 13 22 A L G < S+ 0 0 11 -3,-1.8 33,-2.8 28,-0.1 2,-0.5 0.404 80.7 116.0-100.3 1.1 28.6 21.0 27.3 14 23 A V B < +a 46 0A 24 -3,-1.8 2,-0.4 -4,-0.2 33,-0.2 -0.605 26.2 156.6 -84.2 120.9 28.1 24.8 27.6 15 24 A F - 0 0 59 31,-2.6 2,-2.3 -2,-0.5 30,-0.1 -0.929 35.4-142.6-140.9 110.7 26.7 26.6 24.6 16 25 A D + 0 0 63 -2,-0.4 2,-0.3 31,-0.2 31,-0.1 -0.371 32.6 169.1 -83.1 62.2 25.0 29.8 25.5 17 26 A F - 0 0 21 -2,-2.3 2,-0.7 32,-0.1 32,-0.3 -0.594 25.1-149.2 -70.9 132.5 22.2 29.7 23.0 18 27 A D > - 0 0 48 -2,-0.3 3,-1.3 1,-0.1 -2,-0.1 -0.874 6.5-166.1-107.1 103.0 19.5 32.4 23.6 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.679 88.5 48.7 -65.9 -17.7 16.1 30.9 22.4 20 29 A Y T 3 S+ 0 0 83 1,-0.2 364,-0.5 365,-0.1 -1,-0.3 0.572 131.1 14.1 -96.0 -10.8 14.5 34.4 22.5 21 30 A N S < S- 0 0 107 -3,-1.3 -1,-0.2 362,-0.1 -2,-0.2 -0.356 80.9-170.7-159.4 65.2 17.2 36.2 20.5 22 31 A P > - 0 0 3 0, 0.0 3,-1.6 0, 0.0 11,-0.1 -0.280 32.3-112.1 -69.1 152.6 19.5 33.8 18.8 23 32 A S T 3 S+ 0 0 127 1,-0.3 3,-0.3 9,-0.2 10,-0.1 0.847 111.4 43.1 -51.1 -45.8 22.8 35.0 17.2 24 33 A N T > S+ 0 0 90 8,-0.2 3,-2.1 1,-0.2 -1,-0.3 0.229 75.6 125.4 -93.3 21.4 21.9 34.4 13.6 25 34 A L G X + 0 0 27 -3,-1.6 3,-2.8 1,-0.3 -1,-0.2 0.811 65.2 57.8 -51.6 -53.6 18.3 35.7 13.7 26 35 A S G 3 S+ 0 0 126 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.683 103.7 58.0 -50.5 -23.7 18.4 38.3 10.9 27 36 A A G < S- 0 0 61 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.381 132.4 -60.4 -88.5 2.1 19.5 35.4 8.5 28 37 A G <> - 0 0 8 -3,-2.8 4,-2.2 -4,-0.2 -1,-0.3 -0.019 40.8-117.5 123.3 132.9 16.4 33.3 9.3 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.939 114.3 48.9 -68.0 -45.2 15.1 31.8 12.5 30 39 A Q H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 112.3 50.2 -57.6 -41.5 15.3 28.2 11.5 31 40 A E H 4 S+ 0 0 68 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.895 108.0 54.0 -61.7 -40.7 18.9 28.9 10.3 32 41 A A H >< S+ 0 0 2 -4,-2.2 3,-0.6 1,-0.2 -8,-0.2 0.853 111.9 43.2 -62.7 -39.9 19.7 30.5 13.7 33 42 A W H >< S+ 0 0 0 -4,-2.1 3,-2.1 1,-0.2 -1,-0.2 0.831 101.7 68.9 -74.7 -33.7 18.5 27.5 15.6 34 43 A A G >< S+ 0 0 22 -4,-2.1 3,-2.0 1,-0.3 -1,-0.2 0.614 77.6 81.5 -61.6 -12.3 20.3 25.1 13.2 35 44 A V G X S+ 0 0 53 -3,-0.6 3,-1.5 -4,-0.5 -1,-0.3 0.781 81.1 67.2 -60.3 -28.0 23.7 26.4 14.6 36 45 A L G < S+ 0 0 6 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.552 96.3 56.0 -68.1 -5.8 23.0 23.9 17.4 37 46 A Q G < S+ 0 0 9 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.267 74.8 123.1-114.2 8.7 23.5 21.2 14.8 38 47 A E S X S- 0 0 103 -3,-1.5 3,-2.1 1,-0.1 -3,-0.0 -0.364 78.5-104.4 -67.3 154.9 27.0 22.1 13.6 39 48 A S T 3 S+ 0 0 122 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.617 116.7 57.2 -68.8 -16.4 29.4 19.3 14.0 40 49 A N T 3 S+ 0 0 109 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.413 88.7 94.8 -88.4 -0.5 31.3 20.7 17.0 41 50 A V S < S- 0 0 15 -3,-2.1 -28,-0.1 -6,-0.1 4,-0.1 -0.827 75.3-127.2 -99.8 124.8 28.0 20.8 19.1 42 51 A P - 0 0 36 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.154 23.7-111.5 -59.6 162.9 27.1 17.9 21.4 43 52 A D S S+ 0 0 47 1,-0.2 14,-2.9 256,-0.1 15,-0.6 0.734 109.6 34.2 -69.3 -27.2 23.7 16.2 21.1 44 53 A L E S+ B 0 56A 6 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.981 78.0 173.0-135.0 121.0 22.8 17.7 24.5 45 54 A V E - B 0 55A 0 10,-2.5 10,-2.7 -2,-0.4 2,-0.4 -0.813 25.6-132.1-126.2 162.4 24.1 21.1 25.6 46 55 A W E -aB 14 54A 10 -33,-2.8 -31,-2.6 -2,-0.3 2,-0.4 -0.978 16.9-163.4-115.4 128.4 23.5 23.5 28.5 47 56 A T E - B 0 53A 0 6,-2.7 6,-2.1 -2,-0.4 -31,-0.2 -0.917 15.2-154.0-106.4 141.4 22.9 27.2 27.9 48 57 A R > + 0 0 68 -2,-0.4 -45,-3.0 4,-0.2 3,-0.5 0.416 66.1 105.3 -89.0 1.4 23.3 29.7 30.7 49 58 A C G > S+ 0 0 14 -32,-0.3 3,-2.4 -47,-0.2 -2,-0.1 -0.414 77.1 17.1 -75.8 157.4 20.7 32.0 29.0 50 59 A N G 3 S- 0 0 40 -49,-0.4 31,-0.3 1,-0.3 -1,-0.2 0.820 142.7 -43.5 55.4 39.5 17.2 32.6 30.2 51 60 A G G < S- 0 0 63 -3,-0.5 -1,-0.3 -50,-0.3 -2,-0.1 0.175 104.6 -75.2 95.2 -16.9 17.9 31.1 33.6 52 61 A G < + 0 0 2 -3,-2.4 256,-0.3 1,-0.1 2,-0.3 0.455 64.2 163.0 93.8 124.4 19.9 28.1 32.5 53 62 A H E -B 47 0A 0 -6,-2.1 -6,-2.7 254,-0.1 256,-0.2 -0.981 36.7-100.4-163.7 159.8 18.6 25.0 30.8 54 63 A W E -Bc 46 309A 0 254,-3.0 256,-3.1 -2,-0.3 2,-0.4 -0.468 28.6-158.4 -76.5 157.1 19.5 21.9 28.8 55 64 A I E -Bc 45 310A 0 -10,-2.7 -10,-2.5 254,-0.2 2,-0.5 -0.965 8.4-149.5-135.0 122.0 18.9 21.8 25.0 56 65 A A E -B 44 0A 0 254,-2.1 -12,-0.2 -2,-0.4 259,-0.1 -0.810 15.2-173.3 -82.7 131.2 18.6 18.5 23.1 57 66 A T + 0 0 0 -14,-2.9 2,-0.4 -2,-0.5 -13,-0.1 0.495 54.2 66.9-108.8 -4.5 19.8 19.4 19.6 58 67 A R S >> S- 0 0 3 -15,-0.6 4,-2.4 1,-0.1 3,-0.7 -0.938 77.6-123.6-126.6 143.0 19.2 16.2 17.6 59 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.8 256,-0.3 5,-0.3 0.837 108.3 60.0 -49.5 -42.2 16.0 14.5 16.6 60 69 A Q H 3> S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 112.3 38.0 -55.0 -46.2 16.9 11.2 18.3 61 70 A L H <> S+ 0 0 0 -3,-0.7 4,-2.8 2,-0.2 5,-0.3 0.867 113.7 54.9 -76.0 -39.2 17.1 12.8 21.7 62 71 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.952 112.5 43.8 -57.0 -50.3 14.2 15.1 21.2 63 72 A R H X S+ 0 0 54 -4,-2.8 4,-1.6 -5,-0.2 -2,-0.2 0.942 113.5 51.4 -61.0 -46.7 12.0 12.2 20.4 64 73 A E H X S+ 0 0 70 -4,-2.1 4,-1.6 -5,-0.3 3,-0.4 0.932 110.9 46.3 -58.0 -48.8 13.3 10.0 23.2 65 74 A A H < S+ 0 0 0 -4,-2.8 7,-0.2 1,-0.2 -1,-0.2 0.883 109.7 54.9 -63.2 -37.2 12.8 12.7 25.9 66 75 A Y H < S+ 0 0 3 -4,-2.0 279,-0.6 -5,-0.3 -1,-0.2 0.798 109.8 47.9 -66.9 -27.3 9.2 13.4 24.6 67 76 A E H < S+ 0 0 111 -4,-1.6 2,-1.5 -3,-0.4 -1,-0.2 0.793 100.0 69.8 -76.1 -32.4 8.5 9.6 25.0 68 77 A D >X + 0 0 36 -4,-1.6 4,-2.5 1,-0.2 3,-0.7 -0.536 52.1 157.3 -95.6 73.1 9.9 9.5 28.5 69 78 A Y T 34 + 0 0 55 -2,-1.5 -1,-0.2 1,-0.2 5,-0.1 0.704 66.4 70.9 -68.0 -22.4 7.3 11.5 30.5 70 79 A R T 34 S+ 0 0 180 -3,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.900 116.4 21.3 -61.1 -39.6 8.3 9.7 33.7 71 80 A H T <4 S+ 0 0 48 -3,-0.7 222,-2.1 1,-0.2 2,-0.8 0.754 125.9 53.9 -95.2 -32.3 11.6 11.6 33.7 72 81 A F E < S-D 292 0A 0 -4,-2.5 2,-0.2 -7,-0.2 220,-0.2 -0.843 78.9-165.5-114.1 93.0 10.7 14.5 31.5 73 82 A S E > -D 291 0A 3 218,-2.8 218,-2.1 -2,-0.8 3,-0.5 -0.538 26.6-148.9 -87.6 145.7 7.6 16.2 32.9 74 83 A S T 3 S+ 0 0 1 -2,-0.2 -1,-0.1 1,-0.2 215,-0.1 0.318 76.6 100.7 -86.5 3.6 5.2 18.7 31.3 75 84 A E T 3 S+ 0 0 140 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.854 99.2 22.1 -59.3 -32.1 4.5 20.3 34.7 76 85 A C S < S+ 0 0 4 -3,-0.5 -1,-0.3 1,-0.1 9,-0.2 -0.739 78.4 159.0-132.7 81.3 7.0 23.1 33.8 77 86 A P + 0 0 4 0, 0.0 212,-1.9 0, 0.0 2,-0.3 0.468 47.2 70.1 -95.5 -1.4 7.1 23.0 30.0 78 87 A F S S- 0 0 22 210,-0.2 6,-0.6 3,-0.2 7,-0.1 -0.895 75.0-106.9-119.2 149.8 8.4 26.5 29.2 79 88 A I S S+ 0 0 5 -2,-0.3 2,-0.1 4,-0.1 307,-0.1 -0.925 96.6 54.7-101.4 133.4 11.6 28.6 29.5 80 89 A P S >> S- 0 0 41 0, 0.0 4,-1.8 0, 0.0 3,-1.2 0.519 86.9-133.2 -79.0 161.6 11.9 30.8 31.5 81 90 A R H 3> S+ 0 0 78 -31,-0.3 4,-3.0 1,-0.3 5,-0.2 0.827 102.8 61.6 -48.1 -43.5 11.0 28.8 34.6 82 91 A E H 3> S+ 0 0 139 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.845 107.4 43.8 -56.3 -38.7 8.6 31.5 35.9 83 92 A A H <> S+ 0 0 12 -3,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.908 113.6 51.6 -69.0 -45.0 6.4 31.1 32.8 84 93 A G H < S+ 0 0 0 -4,-1.8 -2,-0.2 -6,-0.6 -1,-0.2 0.876 110.7 48.5 -60.4 -39.7 6.6 27.3 33.0 85 94 A E H < S+ 0 0 133 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.919 112.4 46.4 -70.4 -42.8 5.6 27.3 36.7 86 95 A A H < S+ 0 0 27 -4,-1.6 2,-0.3 -5,-0.2 -1,-0.2 0.744 90.4 101.2 -67.8 -26.7 2.6 29.7 36.2 87 96 A Y < + 0 0 20 -4,-1.6 -9,-0.1 1,-0.1 98,-0.0 -0.474 35.8 158.6 -72.0 124.3 1.3 27.8 33.1 88 97 A D + 0 0 35 -2,-0.3 -1,-0.1 -12,-0.1 5,-0.1 0.141 17.5 143.5-133.5 17.3 -1.6 25.4 34.0 89 98 A F > - 0 0 2 3,-0.1 4,-1.8 145,-0.1 143,-0.2 -0.227 51.8 -91.8 -57.2 151.9 -3.3 24.8 30.7 90 99 A I T 4 S+ 0 0 2 141,-1.8 145,-0.3 1,-0.2 146,-0.2 -0.960 97.3 0.9-119.3 132.5 -4.8 21.3 30.1 91 100 A P T >4 S+ 0 0 10 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.982 122.8 65.5 -92.9 2.6 -3.5 18.9 28.8 92 101 A T T 34 S+ 0 0 31 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.589 103.9 46.1 -66.4 -16.6 -0.2 20.6 28.1 93 102 A S T 3< S+ 0 0 16 -4,-1.8 2,-0.3 -5,-0.1 -1,-0.3 0.276 102.9 84.5-104.9 13.4 0.8 21.0 31.8 94 103 A M < - 0 0 13 -3,-1.9 -6,-0.0 -5,-0.1 -5,-0.0 -0.830 64.3-145.1-118.3 148.4 -0.2 17.5 32.7 95 104 A D > - 0 0 39 -2,-0.3 4,-1.9 -22,-0.1 3,-0.4 -0.769 37.2 -70.1-102.1 154.2 1.7 14.2 32.5 96 105 A P T 4 S+ 0 0 5 0, 0.0 -1,-0.0 0, 0.0 249,-0.0 -0.436 109.2 43.0 -59.3 153.4 0.2 10.7 31.7 97 106 A P T >4 S+ 0 0 103 0, 0.0 3,-0.9 0, 0.0 4,-0.5 -0.955 126.5 36.7 -79.0 -20.9 -1.5 8.8 33.2 98 107 A E T >> S+ 0 0 100 -3,-0.4 4,-0.7 1,-0.2 3,-0.6 0.864 113.8 59.2 -58.1 -37.3 -3.8 11.7 34.3 99 108 A Q H 3X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 3,-0.4 0.815 86.1 78.1 -62.3 -33.3 -3.4 13.5 31.0 100 109 A R H <> S+ 0 0 131 -3,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.845 96.9 41.0 -50.5 -49.4 -4.7 10.7 28.8 101 110 A Q H <> S+ 0 0 92 -3,-0.6 4,-1.6 -4,-0.5 -1,-0.2 0.822 114.0 51.7 -75.2 -29.3 -8.5 11.2 29.5 102 111 A F H X S+ 0 0 0 -4,-0.7 4,-2.4 -3,-0.4 -2,-0.2 0.901 110.1 51.2 -66.1 -41.7 -8.3 15.0 29.3 103 112 A R H X S+ 0 0 54 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.905 106.7 54.1 -59.9 -42.5 -6.6 14.5 26.0 104 113 A A H X S+ 0 0 56 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.898 109.6 47.9 -55.4 -43.0 -9.4 12.2 24.9 105 114 A L H >X S+ 0 0 4 -4,-1.6 4,-0.7 1,-0.2 3,-0.7 0.925 110.7 49.3 -68.6 -45.3 -11.9 14.9 25.7 106 115 A A H >X S+ 0 0 1 -4,-2.4 4,-1.3 1,-0.2 3,-1.0 0.879 105.0 60.9 -58.3 -39.4 -10.0 17.7 23.8 107 116 A N H 3X S+ 0 0 72 -4,-2.4 4,-2.2 1,-0.3 -1,-0.2 0.803 94.7 62.7 -59.5 -31.9 -9.8 15.3 20.9 108 117 A Q H << S+ 0 0 117 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.843 109.7 39.5 -59.5 -34.6 -13.6 15.2 20.7 109 118 A V H << S+ 0 0 5 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.641 131.8 20.8 -97.5 -14.7 -13.7 19.0 19.9 110 119 A V H < S+ 0 0 20 -4,-1.3 243,-0.3 -3,-0.1 -3,-0.2 0.518 97.0 104.6-126.3 -13.1 -10.6 19.3 17.5 111 120 A G S >X S- 0 0 0 -4,-2.2 4,-1.2 -5,-0.3 3,-0.8 0.093 86.5 -67.4 -66.1-176.4 -10.0 15.8 16.1 112 121 A M H >> S+ 0 0 97 1,-0.2 4,-1.4 2,-0.2 3,-0.7 0.765 124.1 49.8 -39.8 -61.1 -10.7 14.3 12.6 113 122 A P H 3> S+ 0 0 102 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.860 110.9 52.1 -56.8 -38.7 -14.5 14.1 12.4 114 123 A V H <> S+ 0 0 33 -3,-0.8 4,-1.5 1,-0.2 -2,-0.2 0.821 101.3 62.7 -63.6 -33.8 -14.8 17.7 13.5 115 124 A V H X S+ 0 0 15 -4,-1.5 4,-2.3 -3,-0.5 3,-0.9 0.718 85.1 93.6 -84.6 -23.0 -15.6 22.7 9.5 119 128 A E H 3X S+ 0 0 49 -4,-1.6 4,-2.9 1,-0.3 5,-0.2 0.773 83.7 51.8 -41.2 -42.7 -14.1 22.3 6.1 120 129 A N H 3> S+ 0 0 104 -4,-0.4 4,-3.0 -3,-0.4 -1,-0.3 0.901 111.9 44.8 -68.3 -40.7 -16.8 24.5 4.4 121 130 A R H <> S+ 0 0 102 -3,-0.9 4,-2.6 -4,-0.3 -1,-0.2 0.849 113.2 52.8 -69.0 -34.4 -16.3 27.4 6.8 122 131 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.956 113.7 41.7 -66.4 -49.9 -12.5 27.0 6.4 123 132 A Q H X S+ 0 0 67 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.937 115.6 50.6 -63.6 -44.9 -12.8 27.2 2.7 124 133 A E H X S+ 0 0 101 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.906 112.3 46.5 -56.2 -47.8 -15.4 30.0 2.8 125 134 A L H X S+ 0 0 16 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.920 112.0 50.5 -62.5 -46.6 -13.3 32.1 5.2 126 135 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.929 113.0 46.5 -56.3 -50.7 -10.1 31.5 3.1 127 136 A C H X S+ 0 0 29 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.907 112.5 48.6 -58.1 -48.6 -11.9 32.6 -0.1 128 137 A S H X S+ 0 0 52 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.931 113.6 47.0 -65.1 -42.2 -13.5 35.7 1.4 129 138 A L H X S+ 0 0 22 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.956 114.9 45.8 -61.2 -48.6 -10.2 36.9 2.9 130 139 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 3,-0.4 0.918 110.6 52.4 -64.1 -44.0 -8.3 36.3 -0.3 131 140 A E H < S+ 0 0 56 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.845 105.8 55.9 -59.6 -33.5 -10.9 38.0 -2.5 132 141 A S H < S+ 0 0 67 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.867 116.8 35.5 -67.8 -32.4 -10.8 41.1 -0.2 133 142 A L H >X>S+ 0 0 9 -4,-1.4 3,-2.0 -3,-0.4 4,-0.7 0.827 97.9 84.7 -87.7 -33.5 -7.1 41.4 -0.8 134 143 A R G ><5S+ 0 0 33 -4,-2.7 3,-0.8 1,-0.3 -2,-0.1 0.784 90.8 42.5 -46.9 -49.9 -6.9 40.2 -4.4 135 144 A P G 345S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.648 101.3 72.1 -79.1 -6.2 -7.6 43.5 -6.3 136 145 A Q G <45S- 0 0 126 -3,-2.0 -2,-0.2 -4,-0.2 -3,-0.1 0.744 90.0-141.3 -76.8 -23.9 -5.5 45.6 -4.0 137 146 A G T <<5S+ 0 0 9 -3,-0.8 260,-2.1 -4,-0.7 2,-0.3 0.594 73.5 51.1 70.3 14.4 -2.2 44.2 -5.4 138 147 A Q E < +F 396 0B 128 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.962 53.2 160.3-168.6 153.5 -0.6 44.2 -2.0 139 148 A C E -F 395 0B 11 256,-1.8 256,-2.8 -2,-0.3 2,-0.8 -0.964 45.7-112.5-159.0 168.0 -1.1 43.1 1.6 140 149 A N E > -F 394 0B 45 -2,-0.3 4,-3.5 254,-0.2 5,-0.4 -0.943 37.4-158.9 -98.1 102.9 0.8 42.4 4.8 141 150 A F H >>S+ 0 0 0 252,-2.8 5,-2.8 -2,-0.8 4,-1.9 0.850 85.4 51.5 -55.0 -39.3 0.0 38.7 4.7 142 151 A T H 4>S+ 0 0 7 3,-0.2 5,-2.6 1,-0.2 -1,-0.2 0.943 120.7 32.8 -65.5 -46.2 0.6 38.2 8.4 143 152 A E H 45S+ 0 0 111 3,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.861 125.8 39.7 -76.2 -37.5 -1.7 41.0 9.4 144 153 A D H <5S+ 0 0 57 -4,-3.5 -3,-0.2 3,-0.1 -2,-0.2 0.696 133.8 7.2 -96.4 -24.2 -4.3 40.8 6.6 145 154 A Y T X5S+ 0 0 0 -4,-1.9 4,-1.3 -5,-0.4 -3,-0.2 0.673 125.4 47.9-119.3 -54.3 -4.7 37.0 6.1 146 155 A A T 4 S+ 0 0 28 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.749 104.4 69.8 -65.4 -22.1 -7.8 36.8 11.1 149 158 A F H X S+ 0 0 0 -4,-1.3 4,-1.7 -3,-0.3 5,-0.2 0.966 99.6 33.7 -71.6 -61.4 -7.9 33.3 9.8 150 159 A P H > S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.854 115.7 56.1 -69.2 -32.9 -7.5 30.8 12.8 151 160 A I H X S+ 0 0 4 -4,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.922 108.1 50.2 -61.6 -40.5 -9.2 33.0 15.4 152 161 A R H X S+ 0 0 86 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.901 109.8 49.6 -61.7 -41.1 -12.3 33.0 13.1 153 162 A I H X S+ 0 0 4 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.892 109.8 52.3 -65.8 -40.5 -12.2 29.2 12.7 154 163 A F H X S+ 0 0 20 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.910 103.8 55.8 -62.3 -42.3 -11.9 28.9 16.5 155 164 A M H X>S+ 0 0 5 -4,-2.2 5,-2.3 1,-0.2 4,-0.6 0.874 108.8 49.1 -56.1 -38.7 -15.0 31.1 17.1 156 165 A L H ><5S+ 0 0 63 -4,-1.4 3,-0.6 2,-0.2 -1,-0.2 0.918 112.7 45.9 -68.2 -45.9 -17.0 28.8 14.9 157 166 A L H 3<5S+ 0 0 20 -4,-2.1 53,-2.7 1,-0.2 -2,-0.2 0.899 119.9 40.7 -57.2 -45.5 -15.8 25.7 16.8 158 167 A A H 3<5S- 0 0 0 -4,-2.9 53,-0.3 51,-0.2 -1,-0.2 0.411 105.7-124.8 -89.3 0.3 -16.4 27.3 20.2 159 168 A G T <<5 + 0 0 39 -4,-0.6 -3,-0.2 -3,-0.6 -4,-0.1 0.898 55.5 155.4 52.8 44.1 -19.7 29.0 19.2 160 169 A L < - 0 0 10 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.773 49.4 -98.5 -98.9 146.3 -18.4 32.3 20.3 161 170 A P > - 0 0 53 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.372 21.9-128.1 -71.5 144.7 -19.9 35.5 18.8 162 171 A E G > S+ 0 0 134 1,-0.3 3,-1.7 2,-0.2 -7,-0.0 0.822 107.4 64.0 -53.5 -36.2 -18.1 37.2 15.9 163 172 A E G 3 S+ 0 0 150 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.676 92.4 65.6 -69.3 -11.5 -18.2 40.5 17.7 164 173 A D G <> S+ 0 0 45 -3,-1.9 4,-2.9 1,-0.2 5,-0.3 0.618 76.1 92.6 -79.8 -14.0 -15.9 39.0 20.4 165 174 A I H <> S+ 0 0 10 -3,-1.7 4,-3.0 -4,-0.3 5,-0.3 0.893 82.6 46.8 -53.8 -51.3 -13.0 38.6 18.0 166 175 A P H > S+ 0 0 93 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.896 116.1 45.7 -64.0 -33.8 -11.1 41.8 18.6 167 176 A H H > S+ 0 0 93 -4,-0.3 4,-2.3 -3,-0.3 -2,-0.2 0.941 114.7 47.0 -69.7 -44.9 -11.4 41.5 22.4 168 177 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.873 111.9 51.3 -65.1 -37.4 -10.3 37.9 22.3 169 178 A K H X S+ 0 0 40 -4,-3.0 4,-2.7 -5,-0.3 5,-0.2 0.902 109.0 51.9 -61.7 -42.6 -7.5 38.7 20.0 170 179 A Y H X S+ 0 0 130 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.929 112.5 45.3 -57.7 -48.4 -6.4 41.4 22.4 171 180 A L H X S+ 0 0 9 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.927 115.3 45.4 -65.1 -45.8 -6.4 39.0 25.3 172 181 A T H >X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 3,-0.8 0.936 112.3 50.6 -67.9 -43.6 -4.6 36.2 23.5 173 182 A D H 3X S+ 0 0 37 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.854 104.5 59.9 -55.9 -38.2 -1.9 38.6 22.0 174 183 A Q H 3< S+ 0 0 36 -4,-1.7 -1,-0.2 -5,-0.2 5,-0.2 0.819 113.0 38.2 -61.9 -30.5 -1.3 39.9 25.5 175 184 A M H << S+ 0 0 17 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.876 124.3 34.4 -86.3 -44.1 -0.4 36.4 26.6 176 185 A T H < S+ 0 0 54 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.610 122.6 42.3 -97.4 -17.2 1.6 35.1 23.6 177 186 A R S < S- 0 0 64 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.514 84.1-174.3-121.0 64.2 3.3 38.2 22.4 178 187 A P - 0 0 93 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.283 21.5-169.8 -67.4 143.9 4.3 39.7 25.8 179 188 A D - 0 0 136 -5,-0.2 -5,-0.0 3,-0.0 0, 0.0 0.371 53.3-103.0-107.4 -0.1 5.9 43.2 25.9 180 189 A G S S+ 0 0 67 2,-0.3 4,-0.0 3,-0.0 3,-0.0 0.357 97.1 108.2 95.3 -1.7 6.9 42.9 29.5 181 190 A S S S+ 0 0 87 2,-0.0 2,-0.3 1,-0.0 0, 0.0 0.675 82.4 36.7 -78.5 -20.5 4.1 45.1 30.9 182 191 A M S S- 0 0 61 -8,-0.1 -2,-0.3 -7,-0.0 2,-0.1 -0.951 85.5-117.4-126.5 148.7 2.3 42.1 32.4 183 192 A T > - 0 0 78 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.445 34.8-110.1 -70.6 160.9 3.6 39.0 34.1 184 193 A F H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.924 122.2 53.8 -52.7 -48.0 2.7 35.7 32.3 185 194 A A H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.892 107.1 49.9 -55.5 -44.6 0.4 35.0 35.2 186 195 A E H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 111.3 47.8 -63.4 -43.9 -1.4 38.3 34.8 187 196 A A H X S+ 0 0 3 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.910 111.1 51.9 -63.8 -41.8 -2.0 37.8 31.1 188 197 A K H X S+ 0 0 15 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.920 109.1 49.6 -60.9 -46.4 -3.2 34.2 31.8 189 198 A E H X S+ 0 0 85 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.879 106.3 55.6 -60.8 -40.4 -5.8 35.5 34.4 190 199 A A H X S+ 0 0 24 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.908 110.7 45.8 -58.8 -42.7 -7.1 38.2 32.0 191 200 A L H >X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 3,-1.1 0.944 110.8 52.4 -63.6 -46.9 -7.8 35.4 29.4 192 201 A Y H 3X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.859 100.3 63.3 -57.3 -35.9 -9.3 33.2 32.1 193 202 A D H 3< S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.779 104.0 47.9 -60.9 -30.8 -11.7 36.1 33.1 194 203 A Y H S+ 0 0 51 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.890 113.5 52.0 -60.8 -36.7 -18.5 33.4 32.7 198 207 A I H X S+ 0 0 15 -4,-0.7 4,-2.0 1,-0.2 -2,-0.2 0.888 108.9 49.7 -68.8 -39.4 -19.0 31.5 29.4 199 208 A I H X S+ 0 0 3 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.919 110.3 51.1 -62.8 -43.4 -18.2 28.2 31.1 200 209 A E H >X S+ 0 0 140 -4,-2.3 4,-1.5 1,-0.2 3,-0.6 0.938 111.4 48.3 -58.7 -47.9 -20.7 28.9 33.9 201 210 A Q H 3X S+ 0 0 108 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.865 112.1 47.7 -60.1 -39.4 -23.3 29.7 31.3 202 211 A R H 3< S+ 0 0 43 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.591 105.2 57.9 -90.4 -7.7 -22.8 26.6 29.2 203 212 A R H << S+ 0 0 90 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.790 115.2 38.4 -81.2 -32.4 -22.8 24.3 32.2 204 213 A Q H < S+ 0 0 147 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.925 136.7 18.4 -76.5 -49.1 -26.3 25.5 33.0 205 214 A K S < S- 0 0 152 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.716 85.1-167.9-126.5 80.4 -27.5 25.8 29.4 206 215 A P - 0 0 78 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.261 7.6-175.9 -69.2 152.8 -25.2 23.7 27.1 207 216 A G - 0 0 45 2,-0.2 -48,-0.0 -5,-0.1 0, 0.0 -0.283 44.4 -92.5-114.6-147.9 -25.2 23.8 23.3 208 217 A T S S+ 0 0 120 -2,-0.1 -49,-0.1 4,-0.1 2,-0.1 0.188 83.9 115.6-117.8 13.3 -23.2 21.6 20.9 209 218 A D S > S- 0 0 26 -51,-0.1 4,-2.0 -50,-0.1 -51,-0.2 -0.319 82.9 -99.7 -74.6 166.6 -20.2 24.0 20.6 210 219 A A H > S+ 0 0 11 -53,-2.7 4,-2.4 1,-0.2 5,-0.2 0.816 121.0 52.5 -60.2 -35.0 -16.7 23.0 21.8 211 220 A I H > S+ 0 0 2 -53,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.946 109.3 49.1 -70.0 -45.3 -17.0 24.9 25.1 212 221 A S H > S+ 0 0 2 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.895 113.2 47.9 -56.3 -43.5 -20.3 23.2 26.0 213 222 A I H < S+ 0 0 60 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.921 116.6 41.4 -67.1 -47.9 -18.8 19.8 25.2 214 223 A V H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.952 114.0 52.1 -61.2 -50.5 -15.6 20.3 27.2 215 224 A A H 3< S+ 0 0 0 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.667 116.7 39.7 -66.8 -18.9 -17.4 22.1 30.1 216 225 A N T 3< S+ 0 0 78 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.181 94.0 123.4-113.2 15.6 -19.9 19.2 30.5 217 226 A G < - 0 0 9 -3,-1.7 7,-2.8 8,-0.1 2,-0.4 -0.180 57.1-127.7 -75.3 164.6 -17.4 16.4 29.9 218 227 A Q E +H 223 0C 165 5,-0.3 2,-0.3 -117,-0.1 -2,-0.1 -0.954 28.8 179.6-111.4 135.5 -16.5 13.3 32.0 219 228 A V E > -H 222 0C 0 3,-3.1 3,-2.6 -2,-0.4 -117,-0.1 -0.992 59.1 -10.9-136.5 143.3 -12.8 12.6 32.8 220 229 A N T 3 S- 0 0 61 -2,-0.3 -1,-0.1 1,-0.3 -118,-0.0 0.760 131.7 -43.0 40.9 39.1 -11.0 9.9 34.8 221 230 A G T 3 S+ 0 0 77 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.404 126.1 57.1 95.4 -1.0 -14.3 8.6 36.4 222 231 A R E < S-H 219 0C 86 -3,-2.6 -3,-3.1 3,-0.0 -1,-0.2 -0.890 90.9 -72.0-150.0 173.8 -16.1 11.9 37.2 223 232 A P E -H 218 0C 99 0, 0.0 -5,-0.3 0, 0.0 -6,-0.1 -0.522 55.0-103.1 -75.3 146.2 -17.4 15.2 35.7 224 233 A I - 0 0 2 -7,-2.8 2,-0.1 -2,-0.2 -4,-0.0 -0.338 37.5-121.3 -60.5 143.7 -14.9 17.8 34.7 225 234 A T > - 0 0 60 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.441 20.0-113.3 -82.5 162.6 -14.7 20.7 37.2 226 235 A S H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.885 119.2 51.8 -59.9 -39.1 -15.3 24.3 36.1 227 236 A D H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 108.6 48.5 -67.6 -42.1 -11.7 25.1 36.7 228 237 A E H > S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 110.8 51.7 -63.8 -43.4 -10.4 22.1 34.6 229 238 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.888 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