==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/ELECTRON TRANSPORT 03-APR-13 3W9C . COMPND 2 MOLECULE: CAMPHOR 5-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR Y.KIKUI,Y.HIRUMA,M.A.HASS,H.KOTEISHI,M.UBBINK,M.NOJIRI . 507 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 9.1 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 24 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 4 1 1 1 0 2 1 2 0 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 2 5 4 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 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 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 0 207 0, 0.0 2,-0.5 0, 0.0 49,-0.5 0.000 360.0 360.0 360.0 136.5 44.9 1.6 9.8 2 11 A L - 0 0 76 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.878 360.0-131.1-115.2 122.1 44.5 -1.7 8.0 3 12 A A - 0 0 27 45,-2.7 49,-0.1 -2,-0.5 -1,-0.0 -0.318 44.1 -88.3 -66.5 144.7 45.1 -5.2 9.4 4 13 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.308 50.1-102.1 -56.2 137.7 47.3 -7.6 7.2 5 14 A L - 0 0 54 -3,-0.1 4,-0.1 1,-0.1 6,-0.0 -0.485 38.6-127.6 -67.7 102.0 45.1 -9.5 4.7 6 15 A P > - 0 0 33 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.075 21.0-114.5 -53.9 151.5 44.7 -13.0 6.1 7 16 A P T 3 S+ 0 0 135 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.769 109.6 59.7 -68.6 -28.5 45.7 -15.7 3.7 8 17 A H T 3 S+ 0 0 59 2,-0.1 291,-0.2 1,-0.0 -3,-0.0 0.544 86.9 92.9 -74.0 -4.0 42.2 -17.3 3.2 9 18 A V S < S- 0 0 6 -3,-1.8 5,-0.1 289,-0.1 291,-0.0 -0.805 75.7-131.5 -98.0 115.5 40.7 -14.0 1.9 10 19 A P > - 0 0 52 0, 0.0 3,-1.4 0, 0.0 36,-0.1 -0.246 12.9-131.4 -60.7 140.7 40.7 -13.4 -1.9 11 20 A E G > S+ 0 0 133 1,-0.3 3,-2.3 2,-0.2 35,-0.1 0.900 102.4 60.4 -61.9 -39.3 42.0 -10.1 -3.0 12 21 A H G 3 S+ 0 0 153 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.652 99.3 61.4 -68.2 -9.5 39.2 -9.2 -5.4 13 22 A L G < S+ 0 0 15 -3,-1.4 33,-2.6 32,-0.1 2,-0.5 0.352 78.8 117.4 -87.1 4.3 36.9 -9.4 -2.3 14 23 A V B < +a 46 0A 34 -3,-2.3 2,-0.3 31,-0.2 33,-0.2 -0.636 27.3 156.5 -85.1 121.2 38.8 -6.6 -0.6 15 24 A F - 0 0 60 31,-2.7 2,-2.3 -2,-0.5 30,-0.1 -0.863 33.9-143.6-144.4 104.5 36.8 -3.4 0.1 16 25 A D + 0 0 63 -2,-0.3 2,-0.5 31,-0.2 31,-0.1 -0.415 29.8 169.7 -84.5 76.7 38.1 -1.3 3.0 17 26 A F - 0 0 8 -2,-2.3 2,-0.7 32,-0.1 32,-0.3 -0.729 23.1-154.4 -83.7 125.4 35.0 0.0 4.6 18 27 A D > - 0 0 42 -2,-0.5 3,-0.7 3,-0.2 -2,-0.0 -0.896 2.7-165.4 -98.5 112.0 35.5 1.8 7.9 19 28 A M T 3 S+ 0 0 1 -2,-0.7 -1,-0.1 1,-0.2 14,-0.0 0.655 92.0 46.7 -72.2 -12.7 32.2 1.4 9.8 20 29 A Y T 3 S+ 0 0 76 1,-0.2 361,-0.3 362,-0.1 -1,-0.2 0.474 128.8 20.7-103.1 -8.1 33.4 4.2 12.2 21 30 A N S < S- 0 0 113 -3,-0.7 -3,-0.2 359,-0.1 -2,-0.2 -0.248 76.4-179.7-156.6 65.1 34.7 6.6 9.6 22 31 A P > - 0 0 9 0, 0.0 3,-0.7 0, 0.0 11,-0.1 -0.291 35.8-110.3 -69.9 155.6 33.1 6.0 6.2 23 32 A S T 3 S+ 0 0 117 1,-0.2 2,-1.2 9,-0.2 3,-0.3 0.908 103.9 38.0 -55.0 -67.5 34.2 8.2 3.3 24 33 A N T > + 0 0 109 1,-0.2 3,-0.7 8,-0.2 -1,-0.2 -0.379 68.2 141.6 -93.1 65.6 31.2 10.4 2.4 25 34 A L G X + 0 0 37 -2,-1.2 3,-1.7 -3,-0.7 -1,-0.2 0.781 65.2 61.0 -73.9 -33.6 29.8 11.1 5.9 26 35 A S G 3 S+ 0 0 114 -3,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.670 97.9 63.9 -69.3 -14.3 28.8 14.8 5.3 27 36 A A G < S- 0 0 61 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.456 127.1 -81.7 -80.1 -5.0 26.5 13.4 2.6 28 37 A G <> - 0 0 7 -3,-1.7 4,-2.4 3,-0.1 -1,-0.2 0.035 34.9 -96.1 109.4 143.1 24.6 11.5 5.3 29 38 A V H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.887 120.4 47.7 -55.5 -48.1 25.1 8.2 7.2 30 39 A Q H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.844 112.5 48.1 -68.1 -35.4 22.8 6.1 5.0 31 40 A E H > S+ 0 0 74 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.897 110.8 52.7 -69.4 -41.7 24.3 7.4 1.7 32 41 A A H >< S+ 0 0 4 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.890 113.6 42.9 -61.0 -41.4 27.8 6.8 3.1 33 42 A W H >< S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.848 99.6 71.8 -74.1 -30.7 26.8 3.3 4.0 34 43 A A H >< S+ 0 0 17 -4,-2.0 3,-2.3 1,-0.3 -1,-0.2 0.643 75.1 85.9 -58.9 -16.6 25.0 2.8 0.5 35 44 A V G X< S+ 0 0 42 -3,-0.7 3,-0.8 -4,-0.6 -1,-0.3 0.678 77.9 65.8 -52.9 -20.6 28.6 2.8 -1.0 36 45 A L G < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.505 99.2 55.2 -81.6 -1.3 28.5 -1.0 -0.2 37 46 A Q G < + 0 0 8 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.085 68.2 130.2-127.1 19.9 25.7 -1.3 -2.7 38 47 A E S X S- 0 0 96 -3,-0.8 3,-1.0 1,-0.1 -3,-0.0 -0.467 73.0-109.6 -63.2 151.6 27.1 0.1 -5.9 39 48 A S T 3 S+ 0 0 133 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.830 118.4 54.9 -56.7 -34.4 26.5 -2.3 -8.8 40 49 A N T 3 S+ 0 0 126 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.789 89.9 89.8 -66.3 -33.6 30.3 -3.1 -9.0 41 50 A V S < S- 0 0 4 -3,-1.0 4,-0.1 -6,-0.1 -28,-0.1 -0.571 76.1-126.9 -75.8 127.5 30.6 -4.1 -5.2 42 51 A P - 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.068 21.3-103.6 -69.9 166.0 29.9 -7.9 -4.4 43 52 A D S S+ 0 0 51 1,-0.2 14,-2.6 13,-0.1 2,-0.4 0.866 107.5 31.5 -55.0 -44.9 27.5 -9.5 -1.9 44 53 A L E S- B 0 56A 4 12,-0.2 2,-0.3 252,-0.1 12,-0.2 -0.976 75.0-178.7-124.9 125.2 30.1 -10.3 0.7 45 54 A V E - B 0 55A 0 10,-2.4 10,-2.4 -2,-0.4 2,-0.6 -0.889 22.7-137.2-124.4 159.7 33.2 -8.2 1.2 46 55 A W E -aB 14 54A 10 -33,-2.6 -31,-2.7 -2,-0.3 2,-0.4 -0.980 19.2-165.6-112.3 120.3 36.3 -8.3 3.4 47 56 A T E - B 0 53A 0 6,-2.3 6,-2.0 -2,-0.6 -31,-0.2 -0.888 16.3-154.2-100.4 141.9 37.4 -5.0 4.9 48 57 A R > + 0 0 74 -2,-0.4 -45,-2.7 4,-0.2 3,-0.7 0.377 65.7 106.4 -88.2 -2.9 40.8 -4.6 6.5 49 58 A C G > S+ 0 0 11 -32,-0.3 3,-1.7 1,-0.2 -47,-0.1 -0.405 77.4 18.8 -75.1 154.3 39.5 -1.9 8.8 50 59 A N G 3 S- 0 0 44 -49,-0.5 -1,-0.2 1,-0.3 -48,-0.1 0.706 140.6 -49.2 60.7 27.7 38.9 -2.4 12.5 51 60 A G G < S- 0 0 61 -3,-0.7 -1,-0.3 -50,-0.3 -2,-0.2 0.464 104.5 -66.7 95.6 4.3 41.1 -5.6 12.6 52 61 A G < + 0 0 11 -3,-1.7 253,-0.3 1,-0.1 2,-0.3 0.643 66.7 158.8 81.9 125.9 39.6 -7.3 9.6 53 62 A H E -B 47 0A 1 -6,-2.0 -6,-2.3 251,-0.1 253,-0.2 -0.964 37.2-103.8-165.9 156.7 36.0 -8.7 9.2 54 63 A W E -Bc 46 306A 0 251,-2.5 253,-3.4 -2,-0.3 2,-0.4 -0.450 26.4-154.1 -77.7 158.9 33.5 -9.6 6.5 55 64 A I E -Bc 45 307A 0 -10,-2.4 -10,-2.4 251,-0.2 2,-0.4 -0.994 7.7-146.0-130.3 132.0 30.5 -7.5 5.6 56 65 A A E -B 44 0A 0 251,-2.5 -12,-0.2 -2,-0.4 -13,-0.1 -0.778 16.9-174.4 -82.9 139.5 27.2 -8.8 4.1 57 66 A T + 0 0 0 -14,-2.6 2,-0.4 -2,-0.4 -13,-0.1 0.431 54.2 66.1-121.5 -0.1 25.9 -6.1 1.8 58 67 A R S >> S- 0 0 5 -15,-0.4 4,-2.3 1,-0.1 3,-0.6 -0.974 75.8-126.9-127.0 145.1 22.6 -7.4 0.6 59 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.0 254,-0.3 5,-0.1 0.741 107.3 60.2 -54.8 -32.4 19.4 -7.9 2.5 60 69 A Q H 3> S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.904 110.9 39.5 -67.2 -42.0 19.0 -11.5 1.3 61 70 A L H <> S+ 0 0 2 -3,-0.6 4,-2.4 2,-0.2 5,-0.2 0.860 111.5 57.2 -76.3 -38.0 22.4 -12.5 2.9 62 71 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.912 109.7 47.3 -58.2 -39.6 21.8 -10.4 6.0 63 72 A R H X S+ 0 0 62 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.935 111.8 47.0 -68.2 -50.1 18.5 -12.4 6.6 64 73 A E H < S+ 0 0 68 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.907 113.2 49.7 -56.0 -48.3 20.0 -15.9 6.0 65 74 A A H >< S+ 0 0 1 -4,-2.4 3,-1.4 1,-0.2 7,-0.2 0.925 112.1 47.6 -58.7 -45.3 22.9 -15.1 8.3 66 75 A Y H 3< S+ 0 0 10 -4,-2.0 276,-0.4 1,-0.3 277,-0.2 0.745 109.3 55.5 -65.2 -24.1 20.5 -13.8 11.0 67 76 A E T 3< S+ 0 0 64 -4,-1.6 -1,-0.3 1,-0.2 2,-0.2 0.297 102.9 62.8 -85.1 9.0 18.4 -17.0 10.5 68 77 A D X> + 0 0 14 -3,-1.4 4,-2.1 -5,-0.1 3,-0.6 -0.591 48.4 156.4-144.6 69.2 21.4 -19.2 11.2 69 78 A Y T 34 S+ 0 0 94 1,-0.2 5,-0.2 -2,-0.2 -1,-0.1 0.570 70.9 70.2 -81.6 -7.6 22.9 -18.8 14.7 70 79 A R T 34 S+ 0 0 156 1,-0.1 -1,-0.2 -3,-0.1 3,-0.2 0.861 115.8 24.5 -75.4 -34.0 24.4 -22.3 14.6 71 80 A H T <4 S+ 0 0 31 -3,-0.6 219,-1.9 1,-0.3 2,-0.6 0.745 130.4 44.9 -91.1 -32.4 27.0 -21.0 12.0 72 81 A F E < S-D 289 0A 0 -4,-2.1 -1,-0.3 -7,-0.2 217,-0.2 -0.919 82.9-163.5-121.8 98.6 26.8 -17.3 12.9 73 82 A S E > -D 288 0A 3 215,-3.3 215,-2.8 -2,-0.6 3,-0.6 -0.587 26.1-144.7 -94.4 146.3 26.9 -16.9 16.6 74 83 A S T 3 S+ 0 0 0 -2,-0.2 4,-0.1 1,-0.2 -1,-0.1 0.353 77.2 102.9 -82.2 3.8 26.1 -13.9 18.8 75 84 A E T 3 S+ 0 0 145 1,-0.3 -1,-0.2 213,-0.2 15,-0.1 0.853 96.1 26.6 -59.4 -31.9 28.9 -14.8 21.2 76 85 A C S < S+ 0 0 28 -3,-0.6 -1,-0.3 1,-0.1 14,-0.1 -0.748 76.0 157.5-128.9 81.8 30.8 -12.0 19.6 77 86 A P + 0 0 6 0, 0.0 209,-2.5 0, 0.0 2,-0.3 0.728 50.7 72.9 -86.5 -17.6 28.3 -9.5 18.2 78 87 A F S S- 0 0 44 207,-0.2 207,-0.1 3,-0.1 229,-0.0 -0.721 79.6-106.7-110.1 147.5 30.4 -6.4 18.1 79 88 A I S S+ 0 0 6 -2,-0.3 2,-0.1 2,-0.1 -28,-0.1 -0.966 96.1 31.9-118.8 122.0 33.2 -5.2 15.8 80 89 A P S S- 0 0 59 0, 0.0 -29,-0.1 0, 0.0 -2,-0.1 0.519 86.9-123.4 -82.1 173.1 36.1 -5.1 16.8 81 90 A R 0 0 139 1,-0.1 -3,-0.1 -2,-0.1 -2,-0.1 0.752 360.0 360.0 -48.7 -36.0 36.5 -8.0 19.4 82 91 A E 0 0 227 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.804 360.0 360.0-111.7 360.0 37.7 -5.6 22.1 83 ! 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 84 96 A Y 0 0 106 0, 0.0 98,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 82.3 30.1 -5.5 27.7 85 97 A D + 0 0 48 4,-0.0 4,-0.1 2,-0.0 144,-0.0 0.403 360.0 139.1 -81.8-141.5 27.8 -8.0 29.4 86 98 A F - 0 0 4 3,-0.1 4,-0.1 2,-0.1 143,-0.1 0.529 46.4-112.2 66.7 114.6 24.1 -8.0 28.8 87 99 A I S S+ 0 0 4 2,-0.2 145,-0.2 3,-0.1 -2,-0.0 -0.423 88.2 24.0 63.9 81.0 22.4 -10.5 28.4 88 100 A P S > S+ 0 0 5 0, 0.0 3,-1.1 0, 0.0 12,-0.1 -0.868 100.4 78.1-116.9 25.0 20.9 -11.5 26.1 89 101 A T T 3 S+ 0 0 27 1,-0.3 -2,-0.2 -4,-0.1 -3,-0.1 0.790 103.1 40.1 -61.0 -36.0 22.8 -9.9 23.4 90 102 A S T 3 S+ 0 0 37 -4,-0.1 2,-0.3 -15,-0.1 -1,-0.3 0.301 102.9 93.0 -99.3 5.1 25.8 -12.3 23.5 91 103 A M < - 0 0 36 -3,-1.1 -4,-0.0 5,-0.1 0, 0.0 -0.742 56.5-158.6 -99.8 146.3 23.6 -15.4 24.0 92 104 A D > - 0 0 27 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.721 38.5 -47.2-106.4 168.9 22.1 -17.8 21.5 93 105 A P T 4 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.482 112.8 35.0 -58.6 143.3 19.2 -20.1 21.8 94 106 A P T >> S+ 0 0 91 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.912 126.5 36.7 -88.9 -27.5 18.4 -22.0 23.8 95 107 A E H >> S+ 0 0 74 1,-0.3 3,-1.2 -3,-0.2 4,-0.6 0.825 111.4 64.4 -49.0 -40.4 19.6 -20.1 26.9 96 108 A Q H >X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 3,-0.5 0.752 89.4 65.3 -53.4 -33.9 18.5 -16.8 25.2 97 109 A R H <> S+ 0 0 63 -3,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.822 95.1 60.4 -61.8 -31.4 14.8 -17.8 25.1 98 110 A Q H < S+ 0 0 11 -4,-1.1 3,-1.2 1,-0.2 4,-0.5 0.929 111.1 50.3 -63.6 -44.1 11.6 -12.3 30.9 103 115 A A H >X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.3 3,-1.1 0.809 103.5 62.2 -68.3 -29.7 12.1 -9.1 28.9 104 116 A N H 3X S+ 0 0 19 -4,-2.2 4,-1.2 1,-0.3 7,-0.3 0.774 91.4 64.6 -68.9 -22.7 8.7 -9.6 27.3 105 117 A Q H << S+ 0 0 104 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.759 116.4 30.2 -66.2 -22.6 7.0 -9.3 30.7 106 118 A V H <4 S+ 0 0 8 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.740 134.8 22.8-113.1 -29.1 8.2 -5.7 30.8 107 119 A V H < S+ 0 0 17 -4,-2.3 243,-0.4 4,-0.1 242,-0.2 0.189 92.5 124.6-119.0 13.1 8.4 -4.4 27.2 108 120 A G S >X S- 0 0 0 -4,-1.2 4,-2.2 -5,-0.3 3,-0.6 -0.237 78.0 -96.3 -70.4 166.5 6.0 -6.8 25.6 109 121 A M H 3> S+ 0 0 21 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.781 122.0 57.7 -61.5 -33.8 3.0 -5.7 23.6 110 122 A P H 3> S+ 0 0 55 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.961 111.4 44.4 -61.7 -38.9 0.5 -6.0 26.4 111 123 A V H <> S+ 0 0 37 -3,-0.6 4,-1.5 -7,-0.3 -2,-0.2 0.929 113.9 49.7 -66.7 -44.0 2.7 -3.5 28.4 112 124 A V H X S+ 0 0 1 -4,-2.2 4,-0.8 2,-0.2 3,-0.3 0.913 111.5 47.5 -61.9 -46.8 3.1 -1.3 25.3 113 125 A D H >< S+ 0 0 49 -4,-2.9 3,-0.6 1,-0.2 4,-0.3 0.872 111.2 54.3 -57.0 -40.3 -0.7 -1.2 24.7 114 126 A C H 3< S+ 0 0 111 -4,-2.1 3,-0.3 -5,-0.3 4,-0.2 0.793 110.5 45.5 -62.8 -36.7 -1.2 -0.5 28.3 115 127 A L H 3X S+ 0 0 21 -4,-1.5 4,-2.6 -3,-0.3 3,-0.4 0.503 75.6 105.9 -91.8 -4.6 1.2 2.5 28.2 116 128 A E H S+ 0 0 111 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.894 111.7 46.5 -77.2 -38.0 -1.7 7.0 27.0 118 130 A C H > S+ 0 0 53 -3,-0.4 4,-3.1 -4,-0.2 -1,-0.2 0.902 113.0 54.3 -59.7 -43.4 1.2 7.8 29.5 119 131 A I H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.921 110.3 43.7 -56.9 -48.0 3.4 7.8 26.4 120 132 A Q H X S+ 0 0 32 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.879 113.2 52.3 -62.5 -41.8 1.3 10.4 24.6 121 133 A E H X S+ 0 0 134 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.949 110.2 48.6 -63.2 -45.8 1.0 12.4 27.8 122 134 A L H X S+ 0 0 45 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.880 112.5 48.5 -55.6 -40.7 4.8 12.4 28.2 123 135 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.896 109.1 54.8 -67.7 -40.0 5.2 13.4 24.5 124 136 A C H X S+ 0 0 28 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.882 108.9 44.0 -66.9 -42.0 2.7 16.2 24.9 125 137 A S H X S+ 0 0 66 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.890 112.0 52.9 -76.6 -39.3 4.3 18.0 27.9 126 138 A L H X S+ 0 0 14 -4,-1.6 4,-1.8 -5,-0.2 3,-0.4 0.996 115.5 41.8 -47.3 -60.8 7.7 17.7 26.4 127 139 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.849 112.6 54.6 -61.0 -32.6 6.4 19.3 23.2 128 140 A E H < S+ 0 0 61 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.869 106.2 49.7 -74.0 -36.2 4.3 21.9 25.2 129 141 A S H < S+ 0 0 71 -4,-2.5 4,-0.3 -3,-0.4 -1,-0.2 0.925 116.9 43.8 -66.6 -37.0 7.2 23.2 27.1 130 142 A L H >< S+ 0 0 12 -4,-1.8 3,-1.2 -5,-0.2 5,-0.5 0.807 95.1 78.3 -70.9 -34.2 9.1 23.6 23.8 131 143 A R G >< S+ 0 0 50 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.867 92.1 47.9 -49.2 -50.5 6.4 25.1 21.6 132 144 A P G 3 S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.741 99.2 70.2 -65.9 -23.0 6.5 28.7 22.9 133 145 A Q G < S- 0 0 104 -3,-1.2 -2,-0.2 -4,-0.3 -3,-0.1 0.575 89.9-137.9 -72.2 -17.0 10.3 29.0 22.6 134 146 A G S < S+ 0 0 10 -3,-1.2 260,-2.0 -4,-0.5 2,-0.3 0.463 77.1 49.8 73.8 -0.9 10.6 29.0 18.8 135 147 A Q E +F 393 0B 116 -5,-0.5 2,-0.3 258,-0.2 258,-0.2 -0.997 52.5 165.2-168.2 150.1 13.5 26.6 19.1 136 148 A C E -F 392 0B 9 256,-1.7 256,-3.0 -2,-0.3 2,-0.7 -0.967 41.4-116.7-157.4 161.8 15.0 23.5 20.5 137 149 A N E >> -F 391 0B 46 -2,-0.3 4,-3.2 254,-0.2 3,-0.8 -0.904 36.8-159.8 -96.7 96.4 17.9 21.0 20.2 138 150 A F H 3>>S+ 0 0 0 252,-2.4 5,-2.5 -2,-0.7 4,-2.3 0.818 81.4 52.6 -49.5 -44.3 15.6 18.1 19.3 139 151 A T H 34>S+ 0 0 7 1,-0.2 5,-0.9 3,-0.2 -1,-0.3 0.905 122.6 28.7 -68.1 -33.6 18.1 15.4 20.2 140 152 A E H <45S+ 0 0 117 -3,-0.8 -1,-0.2 3,-0.2 -2,-0.2 0.754 125.8 44.2 -93.4 -28.0 18.8 16.7 23.7 141 153 A D H <5S- 0 0 55 -4,-3.2 -3,-0.2 3,-0.1 -2,-0.2 0.582 136.8 -1.4 -97.5 -18.7 15.5 18.4 24.4 142 154 A Y T X5S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.4 -3,-0.2 0.526 121.7 57.6-132.3 -58.8 13.2 15.7 23.1 143 155 A A T 4 S+ 0 0 11 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.882 106.9 59.4 -64.2 -35.7 14.2 13.0 27.5 146 158 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 3,-0.4 0.976 111.3 36.1 -54.6 -68.0 11.2 11.1 26.0 147 159 A P H > S+ 0 0 7 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.854 118.3 53.6 -58.9 -32.0 12.7 7.5 26.1 148 160 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.906 108.4 49.1 -68.4 -33.7 14.5 8.2 29.4 149 161 A R H X S+ 0 0 88 -4,-2.3 4,-2.0 -3,-0.4 -1,-0.2 0.888 109.8 51.9 -75.2 -36.0 11.2 9.4 30.9 150 162 A I H X S+ 0 0 8 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.932 108.3 51.1 -59.9 -46.1 9.5 6.2 29.6 151 163 A F H X S+ 0 0 23 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.950 108.2 52.2 -60.3 -44.1 12.2 4.1 31.2 152 164 A M H X>S+ 0 0 8 -4,-2.3 5,-2.7 1,-0.2 4,-0.7 0.890 111.8 46.4 -58.2 -40.8 11.7 5.9 34.6 153 165 A L H <5S+ 0 0 95 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.901 113.5 48.8 -66.1 -42.5 8.0 5.2 34.4 154 166 A L H <5S+ 0 0 22 -4,-2.9 53,-3.7 1,-0.2 -2,-0.2 0.945 119.6 36.3 -62.6 -49.7 8.5 1.5 33.4 155 167 A A H <5S- 0 0 0 -4,-3.0 -1,-0.2 51,-0.2 -2,-0.2 0.483 108.7-124.2 -84.7 -2.3 11.1 0.8 36.2 156 168 A G T <5 + 0 0 38 -4,-0.7 -3,-0.2 -5,-0.3 -4,-0.1 0.962 54.4 159.3 60.4 54.6 9.2 3.1 38.6 157 169 A L < - 0 0 11 -5,-2.7 2,-0.2 -6,-0.1 -1,-0.2 -0.756 44.8 -92.7-109.6 149.8 12.3 5.2 39.2 158 170 A P > - 0 0 46 0, 0.0 3,-2.7 0, 0.0 4,-0.3 -0.490 21.8-130.0 -76.3 145.1 12.2 8.7 40.6 159 171 A E G > S+ 0 0 146 1,-0.3 3,-1.0 -2,-0.2 -7,-0.0 0.701 105.1 65.3 -59.1 -35.3 12.2 11.7 38.3 160 172 A E G 3 S+ 0 0 162 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.657 92.2 65.9 -62.2 -17.8 15.1 13.4 40.2 161 173 A D G <> S+ 0 0 39 -3,-2.7 4,-1.9 1,-0.2 3,-0.4 0.676 75.2 89.8 -79.5 -14.7 17.3 10.5 39.0 162 174 A I H <> S+ 0 0 16 -3,-1.0 4,-3.7 -4,-0.3 5,-0.2 0.889 82.5 52.0 -53.1 -56.8 17.1 11.4 35.3 163 175 A P H > S+ 0 0 92 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.897 109.6 52.0 -46.4 -45.0 20.1 13.8 35.2 164 176 A H H > S+ 0 0 91 -4,-0.4 4,-2.2 -3,-0.4 -2,-0.2 0.931 115.1 39.1 -62.0 -45.9 22.3 11.1 36.8 165 177 A L H X S+ 0 0 0 -4,-1.9 4,-3.4 2,-0.2 5,-0.3 0.872 108.6 61.6 -74.3 -34.9 21.3 8.4 34.3 166 178 A K H X S+ 0 0 30 -4,-3.7 4,-2.6 -5,-0.2 -1,-0.2 0.961 110.6 43.1 -49.6 -52.5 21.4 10.8 31.4 167 179 A Y H X S+ 0 0 91 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.919 115.2 45.4 -56.7 -54.3 25.1 11.3 32.3 168 180 A L H X S+ 0 0 3 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.954 115.0 51.5 -60.8 -41.6 26.0 7.6 32.9 169 181 A T H >X S+ 0 0 2 -4,-3.4 4,-3.7 1,-0.2 3,-0.5 0.895 107.6 49.1 -58.5 -46.8 24.1 6.8 29.7 170 182 A D H 3X S+ 0 0 44 -4,-2.6 4,-3.1 -5,-0.3 -1,-0.2 0.882 104.6 59.5 -63.8 -36.8 25.9 9.4 27.5 171 183 A Q H 3< S+ 0 0 1 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.778 116.2 35.8 -62.9 -27.2 29.3 8.2 28.7 172 184 A M H << S+ 0 0 17 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.899 124.8 38.2 -86.2 -58.4 28.4 4.8 27.4 173 185 A T H < S+ 0 0 32 -4,-3.7 -3,-0.2 1,-0.2 -2,-0.2 0.964 140.4 0.1 -63.8 -47.3 26.5 5.7 24.3 174 186 A R S < S- 0 0 56 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 -0.633 75.4-137.3-148.2 93.0 28.7 8.6 23.4 175 187 A P - 0 0 83 0, 0.0 -4,-0.2 0, 0.0 -3,-0.0 -0.174 6.8-161.3 -61.5 125.8 31.7 9.5 25.4 176 188 A D - 0 0 111 1,-0.0 -5,-0.1 3,-0.0 -6,-0.0 0.393 60.4-103.0 -82.5 2.5 32.0 13.2 25.9 177 189 A G S S+ 0 0 60 2,-0.2 3,-0.0 -6,-0.1 -1,-0.0 0.332 99.1 98.8 94.0 -5.2 35.4 12.0 26.7 178 190 A S S S+ 0 0 83 1,-0.1 2,-0.3 2,-0.0 -7,-0.0 0.904 79.4 42.2 -70.6 -43.1 35.7 12.0 30.5 179 191 A M S S- 0 0 43 1,-0.0 -2,-0.2 2,-0.0 2,-0.1 -0.816 76.8-116.8-118.5 145.1 35.0 8.4 31.4 180 192 A T > - 0 0 69 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.395 31.0-118.1 -71.7 152.6 35.9 5.0 30.2 181 193 A F H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.919 115.1 49.5 -61.0 -41.8 33.2 2.9 28.9 182 194 A A H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.828 110.4 52.5 -63.1 -35.5 33.8 0.2 31.5 183 195 A E H > S+ 0 0 110 2,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.818 109.6 47.7 -64.3 -38.2 33.7 2.8 34.1 184 196 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.915 112.5 49.6 -72.2 -44.0 30.4 4.2 32.9 185 197 A K H X S+ 0 0 14 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.900 110.6 50.8 -54.8 -45.9 29.1 0.6 32.8 186 198 A E H X S+ 0 0 90 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.883 110.0 49.2 -65.8 -37.8 30.3 0.1 36.4 187 199 A A H X S+ 0 0 30 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.848 108.7 52.0 -72.6 -34.8 28.7 3.2 37.6 188 200 A L H >X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.7 0.933 109.5 51.5 -60.3 -44.0 25.4 2.3 36.0 189 201 A Y H 3X S+ 0 0 2 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.885 105.3 55.9 -61.4 -34.5 25.7 -1.1 37.7 190 202 A D H 3< S+ 0 0 103 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.701 108.5 46.8 -77.5 -17.6 26.2 0.8 41.1 191 203 A Y H S+ 0 0 49 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.870 115.2 50.8 -56.0 -44.2 20.8 -1.3 45.5 195 207 A I H X S+ 0 0 19 -4,-0.9 4,-3.7 -3,-0.2 5,-0.2 0.930 111.0 48.3 -63.4 -43.0 17.5 -0.8 43.8 196 208 A I H X S+ 0 0 3 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.849 111.4 50.2 -66.1 -36.9 17.5 -4.4 42.6 197 209 A E H X S+ 0 0 109 -4,-2.1 4,-1.6 -5,-0.3 3,-0.5 0.954 113.9 47.0 -63.0 -46.1 18.4 -5.5 46.1 198 210 A Q H >X S+ 0 0 96 -4,-3.1 4,-2.5 1,-0.2 3,-0.7 0.965 110.8 49.1 -57.1 -59.3 15.5 -3.4 47.3 199 211 A R H 3< S+ 0 0 44 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.662 110.6 53.1 -60.6 -18.8 12.9 -4.6 44.8 200 212 A R H 3< S+ 0 0 80 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.867 116.2 36.7 -77.4 -37.3 13.9 -8.2 45.6 201 213 A Q H << S+ 0 0 159 -4,-1.6 -2,-0.2 -3,-0.7 -3,-0.2 0.701 135.9 23.7 -91.7 -21.3 13.3 -7.8 49.3 202 214 A K S < S- 0 0 131 -4,-2.5 -1,-0.3 -5,-0.2 2,-0.1 -0.669 88.2-158.8-144.0 78.5 10.3 -5.5 48.9 203 215 A P - 0 0 84 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.407 12.3-179.3 -71.6 134.2 8.9 -6.2 45.4 204 216 A G - 0 0 40 -2,-0.1 -48,-0.0 2,-0.1 0, 0.0 -0.078 41.9-101.6-102.8-153.4 6.6 -3.6 43.6 205 217 A T S S+ 0 0 141 -2,-0.1 2,-0.1 4,-0.0 -49,-0.1 0.112 81.1 114.8-124.3 15.6 4.9 -3.9 40.2 206 218 A D S > S- 0 0 24 -51,-0.2 4,-1.7 -50,-0.1 3,-0.3 -0.427 85.0 -94.9 -77.0 160.7 7.5 -1.8 38.2 207 219 A A H > S+ 0 0 16 -53,-3.7 4,-2.5 1,-0.2 5,-0.2 0.818 121.8 54.5 -48.9 -42.0 9.7 -3.3 35.5 208 220 A I H > S+ 0 0 2 1,-0.2 4,-3.8 2,-0.2 5,-0.2 0.952 107.9 48.3 -64.6 -47.9 12.7 -3.9 37.9 209 221 A S H > S+ 0 0 2 -3,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.834 111.2 52.6 -54.9 -35.7 10.7 -6.0 40.4 210 222 A I H < S+ 0 0 62 -4,-1.7 4,-0.3 2,-0.2 3,-0.2 0.941 117.7 36.3 -69.3 -46.6 9.3 -8.0 37.5 211 223 A V H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.972 116.0 53.1 -66.6 -51.3 12.8 -8.8 36.1 212 224 A A H 3< S+ 0 0 0 -4,-3.8 -1,-0.2 1,-0.3 -2,-0.2 0.620 117.3 37.8 -65.9 -14.5 14.5 -9.1 39.5 213 225 A N T 3< S+ 0 0 73 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.277 95.5 112.7-118.3 3.7 12.0 -11.6 40.8 214 226 A G < - 0 0 14 -3,-1.9 7,-2.4 -4,-0.3 2,-0.4 -0.024 65.3-113.0 -70.8 179.7 11.5 -13.5 37.5 215 227 A Q E -H 220 0C 124 5,-0.3 2,-0.4 -117,-0.1 -113,-0.1 -0.925 23.2-172.3-118.8 137.1 12.6 -17.0 36.8 216 228 A V E > S-H 219 0C 0 3,-3.0 3,-1.8 -2,-0.4 2,-0.3 -1.000 71.4 -18.8-130.0 138.3 15.3 -18.2 34.4 217 229 A N T 3 S- 0 0 73 -2,-0.4 4,-0.1 1,-0.3 -2,-0.0 -0.541 129.0 -38.2 59.7-128.1 15.7 -21.8 33.7 218 230 A G T 3 S+ 0 0 63 -2,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.424 125.6 59.1-102.9 9.4 13.9 -23.4 36.6 219 231 A R E < S-H 216 0C 92 -3,-1.8 -3,-3.0 1,-0.1 3,-0.1 -0.770 91.6 -69.4-140.4 167.6 15.0 -21.0 39.2 220 232 A P E -H 215 0C 91 0, 0.0 -5,-0.3 0, 0.0 -6,-0.1 -0.331 54.6-107.8 -61.8 139.0 15.0 -17.4 40.4 221 233 A I - 0 0 1 -7,-2.4 2,-0.2 -10,-0.2 3,-0.0 -0.265 36.1-115.6 -54.7 149.1 17.1 -15.0 38.5 222 234 A T > - 0 0 58 1,-0.1 4,-2.5 -3,-0.1 5,-0.3 -0.630 20.5-115.4 -82.4 148.3 20.3 -13.9 40.3 223 235 A S H > S+ 0 0 48 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.946 119.5 53.0 -40.6 -52.2 20.7 -10.2 41.3 224 236 A D H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 108.6 46.7 -61.2 -42.8 23.6 -10.2 38.8 225 237 A E H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 113.5 49.9 -61.5 -43.5 21.6 -11.5 35.9 226 238 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.879 110.0 50.8 -59.2 -43.9 18.8 -9.1 36.7 227 239 A K H X S+ 0 0 18 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.957 109.7 50.0 -58.5 -50.0 21.3 -6.3 36.8 228 240 A R H X S+ 0 0 64 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.822 113.3 46.5 -63.5 -36.5 22.8 -7.2 33.4 229 241 A M H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 3,-0.4 0.914 108.9 52.2 -68.8 -47.7 19.3 -7.4 31.8 230 242 A C H X S+ 0 0 3 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.883 106.1 55.5 -59.4 -38.3 18.0 -4.1 33.2 231 243 A G H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.830 109.0 47.8 -64.1 -33.6 21.1 -2.2 31.9 232 244 A L H X S+ 0 0 25 -4,-0.9 4,-2.8 -3,-0.4 5,-0.3 0.868 108.1 55.0 -69.2 -39.5 20.3 -3.5 28.4 233 245 A L H < S+ 0 0 36 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