==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(OXYGENASE) 18-MAY-90 4CPP . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR R.RAAG,T.L.POULOS . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17114.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 68.9 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 . 15 3.7 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 2 1 2 0 0 2 0 2 2 0 1 0 0 1 1 0 1 1 0 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 0 191 0, 0.0 2,-0.4 0, 0.0 49,-0.4 0.000 360.0 360.0 360.0 79.9 46.4 25.6 32.5 2 11 A L - 0 0 84 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.857 360.0-129.9-104.0 128.4 44.8 23.5 29.8 3 12 A A - 0 0 23 45,-2.7 49,-0.0 -2,-0.4 46,-0.0 -0.711 36.7 -93.4 -85.4 137.5 41.1 23.8 29.3 4 13 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.201 49.2 -98.6 -49.0 140.4 39.1 20.5 29.2 5 14 A L - 0 0 58 1,-0.1 6,-0.1 2,-0.1 43,-0.0 -0.436 36.0-123.2 -68.0 124.5 38.5 19.2 25.7 6 15 A P > - 0 0 28 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.429 28.0-108.5 -61.1 157.9 35.1 20.0 24.2 7 16 A P T 3 S+ 0 0 134 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.797 112.7 60.0 -58.6 -36.3 33.1 17.0 23.1 8 17 A H T 3 S+ 0 0 41 2,-0.1 294,-0.3 1,-0.1 -3,-0.0 0.469 83.0 96.6 -77.0 -1.3 33.5 17.7 19.4 9 18 A V S < S- 0 0 7 -3,-1.8 2,-0.2 292,-0.1 5,-0.1 -0.805 70.6-135.3-100.5 118.0 37.3 17.5 19.3 10 19 A P > - 0 0 47 0, 0.0 3,-2.9 0, 0.0 4,-0.2 -0.395 18.3-133.1 -65.9 123.9 39.1 14.3 18.3 11 20 A E G > S+ 0 0 173 1,-0.3 3,-1.1 2,-0.2 35,-0.1 0.666 104.6 67.1 -49.2 -23.4 41.9 13.8 20.8 12 21 A H G 3 S+ 0 0 142 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.505 95.2 57.2 -77.8 -15.6 44.2 13.0 17.8 13 22 A L G < S+ 0 0 15 -3,-2.9 33,-2.0 32,-0.1 -1,-0.3 0.449 82.0 114.1 -92.9 -4.3 43.8 16.6 16.8 14 23 A V B < +a 46 0A 34 -3,-1.1 2,-0.3 31,-0.2 33,-0.2 -0.498 28.1 157.3 -74.2 137.8 45.1 18.0 20.1 15 24 A F - 0 0 57 31,-2.9 2,-1.7 -2,-0.2 30,-0.1 -0.853 34.6-141.3-159.0 99.1 48.4 19.9 20.1 16 25 A D + 0 0 54 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.541 32.5 165.9 -77.8 83.7 48.8 22.2 23.1 17 26 A F - 0 0 6 -2,-1.7 2,-0.6 32,-0.1 32,-0.4 -0.748 27.7-149.7 -93.1 131.8 50.5 25.3 21.6 18 27 A D > - 0 0 47 -2,-0.4 3,-1.1 1,-0.1 -2,-0.0 -0.948 3.2-163.0-101.7 99.9 50.6 28.5 23.7 19 28 A M T 3 S+ 0 0 0 -2,-0.6 366,-0.2 1,-0.3 -1,-0.1 0.760 93.1 49.4 -56.5 -25.8 50.5 31.4 21.2 20 29 A Y T 3 S+ 0 0 44 1,-0.2 364,-0.5 364,-0.1 -1,-0.3 0.552 128.3 18.0 -90.2 -20.0 51.7 33.6 24.1 21 30 A N S < S- 0 0 102 -3,-1.1 -2,-0.2 362,-0.1 -1,-0.2 -0.273 79.1-169.9-155.5 69.3 54.6 31.3 25.3 22 31 A P > - 0 0 3 0, 0.0 3,-0.8 0, 0.0 11,-0.1 -0.118 33.4-104.7 -59.6 157.2 55.6 28.8 22.6 23 32 A S T 3 S+ 0 0 123 1,-0.2 2,-0.5 9,-0.2 3,-0.3 0.781 106.1 27.9 -56.2 -57.0 57.9 26.1 23.6 24 33 A N T > + 0 0 82 1,-0.2 3,-1.3 8,-0.1 -1,-0.2 -0.534 65.9 146.5-115.7 64.8 61.3 26.8 22.2 25 34 A L G X + 0 0 28 -3,-0.8 3,-3.5 -2,-0.5 -1,-0.2 0.927 63.0 76.4 -59.6 -40.0 61.2 30.6 22.1 26 35 A S G 3 S+ 0 0 127 1,-0.3 -1,-0.3 -3,-0.3 3,-0.1 0.736 93.1 49.8 -35.9 -42.9 64.9 30.6 22.8 27 36 A A G < S- 0 0 58 -3,-1.3 -1,-0.3 1,-0.3 4,-0.2 0.208 130.7 -71.3 -82.1 -3.4 65.6 29.6 19.2 28 37 A G <> - 0 0 4 -3,-3.5 4,-1.5 3,-0.1 -1,-0.3 -0.105 37.4-101.2 122.6 155.4 63.5 32.4 17.8 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.903 120.2 48.4 -74.3 -47.4 59.8 33.2 17.5 30 39 A Q H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 114.8 49.9 -60.0 -41.0 59.3 32.2 13.8 31 40 A E H 4 S+ 0 0 59 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.827 107.1 53.2 -64.9 -37.7 61.2 29.0 14.8 32 41 A A H >< S+ 0 0 0 -4,-1.5 3,-0.8 1,-0.2 -9,-0.2 0.876 112.5 44.4 -67.1 -42.6 58.9 28.3 17.8 33 42 A W H >< S+ 0 0 0 -4,-2.1 3,-2.2 1,-0.2 -1,-0.2 0.808 99.4 69.1 -70.4 -43.7 55.8 28.6 15.7 34 43 A A G >< S+ 0 0 20 -4,-1.9 3,-2.0 1,-0.3 -1,-0.2 0.543 77.6 83.0 -55.1 -11.0 57.1 26.4 12.8 35 44 A V G X S+ 0 0 37 -3,-0.8 3,-1.5 1,-0.3 -1,-0.3 0.796 81.3 65.8 -57.9 -34.3 56.9 23.5 15.2 36 45 A L G < S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.514 97.0 54.4 -60.8 -19.6 53.3 23.5 14.1 37 46 A Q G < S+ 0 0 8 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.211 79.4 119.8-106.0 15.5 54.4 22.5 10.6 38 47 A E S X S- 0 0 100 -3,-1.5 3,-2.8 1,-0.1 -3,-0.0 -0.522 80.1-105.0 -70.9 159.1 56.5 19.5 11.6 39 48 A S T 3 S+ 0 0 129 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.672 117.9 61.2 -53.1 -35.8 55.4 16.1 10.1 40 49 A N T 3 S+ 0 0 118 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.527 89.4 88.0 -68.2 -12.1 53.8 14.9 13.4 41 50 A V S < S- 0 0 7 -3,-2.8 -28,-0.1 -6,-0.1 4,-0.1 -0.842 75.3-133.3-100.9 127.5 51.3 17.8 13.3 42 51 A P - 0 0 43 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.307 28.5-111.3 -64.2 156.2 48.0 17.5 11.6 43 52 A D S S+ 0 0 52 1,-0.2 14,-2.5 13,-0.1 2,-0.5 0.760 109.0 39.1 -61.6 -36.3 47.1 20.5 9.4 44 53 A L E S+ B 0 56A 5 12,-0.2 -1,-0.2 13,-0.1 12,-0.2 -0.972 80.7 176.3-121.6 113.0 44.3 21.6 11.7 45 54 A V E - B 0 55A 0 10,-2.0 10,-1.5 -2,-0.5 2,-0.4 -0.566 24.5-135.9-113.7 167.6 45.0 21.2 15.4 46 55 A W E -aB 14 54A 9 -33,-2.0 -31,-2.9 8,-0.2 2,-0.4 -0.997 17.5-163.4-124.2 133.8 43.2 22.0 18.7 47 56 A T E - B 0 53A 0 6,-3.1 6,-1.8 -2,-0.4 -31,-0.2 -0.917 16.0-154.4-118.6 148.8 45.0 23.6 21.6 48 57 A R > + 0 0 79 -2,-0.4 -45,-2.7 4,-0.2 3,-0.6 0.287 66.8 100.0 -98.2 7.0 43.8 23.6 25.2 49 58 A C G > S+ 0 0 13 -32,-0.4 3,-2.0 1,-0.2 -2,-0.1 -0.578 80.4 21.9 -85.5 159.9 45.8 26.7 26.0 50 59 A N G 3 S- 0 0 44 -49,-0.4 31,-0.3 1,-0.3 -1,-0.2 0.816 141.9 -51.5 53.6 34.8 44.2 30.2 26.2 51 60 A G G < S- 0 0 59 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.1 0.233 100.9 -65.4 87.6 -4.0 40.8 28.6 26.6 52 61 A G < + 0 0 8 -3,-2.0 256,-0.3 1,-0.1 2,-0.3 0.416 67.7 156.1 98.7 126.3 40.8 26.1 23.7 53 62 A H E -B 47 0A 1 -6,-1.8 -6,-3.1 254,-0.1 256,-0.2 -0.898 37.6-103.8-165.7 166.4 40.8 27.1 20.1 54 63 A W E -Bc 46 309A 0 254,-2.3 256,-3.1 -2,-0.3 2,-0.3 -0.469 24.1-156.0 -92.3 166.0 41.9 25.6 16.7 55 64 A I E -Bc 45 310A 0 -10,-1.5 -10,-2.0 254,-0.3 2,-0.4 -0.962 9.3-145.8-141.9 124.0 45.0 26.6 14.7 56 65 A A E -B 44 0A 0 254,-1.7 -12,-0.2 -2,-0.3 259,-0.1 -0.767 14.2-169.9 -87.9 131.4 45.3 26.1 10.9 57 66 A T + 0 0 0 -14,-2.5 2,-0.4 -2,-0.4 -13,-0.1 0.456 54.4 73.4-105.1 -1.4 49.0 25.3 10.3 58 67 A R S >> S- 0 0 6 -15,-0.4 4,-2.6 1,-0.1 3,-0.7 -0.904 75.1-127.2-130.1 148.1 49.2 25.6 6.5 59 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.4 256,-0.3 5,-0.2 0.837 109.8 54.7 -46.4 -44.5 49.2 28.3 3.9 60 69 A Q H 3> S+ 0 0 105 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.882 110.7 42.7 -65.8 -45.1 46.4 26.7 2.0 61 70 A L H <> S+ 0 0 1 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.888 112.9 53.1 -68.6 -42.7 44.0 26.5 5.0 62 71 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.922 110.7 46.5 -60.8 -46.2 44.9 30.0 6.2 63 72 A R H X S+ 0 0 51 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.920 114.6 48.4 -59.3 -43.6 44.2 31.6 2.8 64 73 A E H X S+ 0 0 74 -4,-1.6 4,-1.2 1,-0.2 3,-0.5 0.944 111.5 47.1 -63.4 -51.7 40.9 29.6 2.5 65 74 A A H < S+ 0 0 1 -4,-2.8 7,-0.3 1,-0.2 -1,-0.2 0.819 112.5 52.7 -58.3 -36.8 39.7 30.5 6.0 66 75 A Y H < S+ 0 0 7 -4,-2.1 279,-0.5 1,-0.2 -1,-0.2 0.717 108.8 48.0 -70.3 -36.6 40.6 34.2 5.3 67 76 A E H < S+ 0 0 124 -4,-1.4 2,-1.0 -3,-0.5 -1,-0.2 0.662 100.8 73.8 -70.3 -33.3 38.7 34.3 2.0 68 77 A D >X + 0 0 37 -4,-1.2 4,-3.0 1,-0.2 3,-0.6 -0.653 48.1 158.0 -86.1 47.2 35.6 32.7 3.7 69 78 A Y T 34 + 0 0 75 -2,-1.0 -1,-0.2 1,-0.2 5,-0.1 0.769 69.1 67.8 -47.2 -33.4 34.0 35.4 5.9 70 79 A R T 34 S+ 0 0 168 -3,-0.2 -1,-0.2 1,-0.2 223,-0.2 0.924 117.4 23.5 -51.0 -51.8 30.7 33.7 5.9 71 80 A H T <4 S+ 0 0 45 -3,-0.6 222,-1.9 1,-0.2 2,-0.8 0.870 128.4 48.5 -80.4 -43.2 32.1 30.8 7.9 72 81 A F E < S-D 292 0A 1 -4,-3.0 2,-0.3 -7,-0.3 -1,-0.2 -0.874 78.6-164.2-106.2 96.2 35.0 32.6 9.5 73 82 A S E > -D 291 0A 4 218,-2.9 218,-2.6 -2,-0.8 3,-0.6 -0.584 24.2-146.2 -85.2 142.2 33.9 35.9 11.0 74 83 A S T 3 S+ 0 0 0 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.376 76.4 104.3 -76.2 -0.5 36.1 38.8 12.0 75 84 A E T 3 S+ 0 0 120 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.780 95.1 19.8 -52.7 -34.6 33.7 39.6 14.9 76 85 A C S < S+ 0 0 1 -3,-0.6 -1,-0.3 1,-0.1 8,-0.2 -0.835 75.6 158.7-143.4 84.7 36.0 38.0 17.5 77 86 A P + 0 0 1 0, 0.0 212,-3.4 0, 0.0 2,-0.4 0.555 50.0 74.9 -93.0 -10.4 39.5 38.0 15.9 78 87 A F S S- 0 0 11 210,-0.2 6,-0.8 3,-0.2 7,-0.1 -0.862 76.8-111.4-112.3 152.2 41.7 37.7 19.0 79 88 A I S S+ 0 0 1 -2,-0.4 2,-0.2 4,-0.2 307,-0.1 -0.900 91.6 52.7-113.6 139.8 42.4 34.9 21.3 80 89 A P S >> S- 0 0 28 0, 0.0 4,-2.2 0, 0.0 3,-1.6 0.570 89.5-124.2 -72.8 171.3 41.5 34.5 24.1 81 90 A R H 3> S+ 0 0 79 -31,-0.3 4,-3.2 1,-0.3 -3,-0.2 0.791 108.1 59.3 -50.8 -52.8 37.8 35.1 23.7 82 91 A E H 3> S+ 0 0 129 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.717 110.8 45.9 -49.7 -32.5 37.5 37.9 26.3 83 92 A A H <> S+ 0 0 9 -3,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.944 115.4 43.9 -74.0 -53.1 40.1 39.8 24.1 84 93 A G H < S+ 0 0 0 -4,-2.2 -2,-0.2 -6,-0.8 -3,-0.2 0.832 116.3 51.4 -58.8 -31.9 38.3 38.9 20.8 85 94 A E H < S+ 0 0 134 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.970 111.2 42.7 -73.3 -49.4 35.0 39.8 22.6 86 95 A A H < S+ 0 0 23 -4,-1.9 2,-0.6 -5,-0.2 -1,-0.2 0.471 92.7 109.1 -70.3 -9.5 36.1 43.2 23.9 87 96 A Y < + 0 0 14 -4,-0.9 -9,-0.1 1,-0.1 98,-0.0 -0.692 30.0 152.4 -74.9 120.2 37.7 43.8 20.4 88 97 A D + 0 0 39 -2,-0.6 -1,-0.1 143,-0.1 143,-0.1 0.078 18.0 145.5-133.9 22.1 35.6 46.4 18.6 89 98 A F > - 0 0 2 145,-0.1 4,-2.6 2,-0.1 143,-0.2 -0.238 47.3-102.6 -60.8 149.6 38.2 47.9 16.2 90 99 A I T 4 S+ 0 0 0 141,-1.5 145,-0.3 1,-0.3 -2,-0.1 -0.969 94.5 5.3-124.3 134.3 37.0 49.0 12.7 91 100 A P T >4 S+ 0 0 5 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 -0.984 125.0 63.9 -89.9 2.5 37.3 47.8 10.1 92 101 A T T 34 S+ 0 0 33 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.821 99.3 50.6 -58.2 -40.8 38.9 44.7 11.6 93 102 A S T 3< S+ 0 0 20 -4,-2.6 2,-0.3 -18,-0.1 -1,-0.3 0.252 102.5 79.5 -91.2 20.2 35.9 43.5 13.7 94 103 A M < - 0 0 17 -3,-1.5 -6,-0.0 -5,-0.1 -5,-0.0 -0.879 64.5-145.2-127.0 151.4 33.5 43.6 10.8 95 104 A D > - 0 0 34 -2,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.677 42.5 -53.5-107.2 163.7 32.8 41.5 7.8 96 105 A P T 4 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.333 112.6 31.1 -71.7 152.7 31.8 42.5 4.3 97 106 A P T >4 S+ 0 0 113 0, 0.0 3,-0.9 0, 0.0 4,-0.3 -0.990 128.6 42.1 -82.6 -17.2 29.7 44.2 3.0 98 107 A E T >> S+ 0 0 123 -3,-0.4 3,-1.2 1,-0.2 4,-0.9 0.905 107.9 63.6 -52.2 -42.2 29.7 46.4 6.1 99 108 A Q H 3X S+ 0 0 6 -4,-2.0 4,-1.8 1,-0.3 -1,-0.2 0.827 91.1 69.6 -49.0 -41.2 33.5 46.3 6.3 100 109 A R H <> S+ 0 0 159 -3,-0.9 4,-1.2 2,-0.2 -1,-0.3 0.610 92.7 48.9 -58.4 -39.1 33.9 48.1 3.0 101 110 A Q H <> S+ 0 0 59 -3,-1.2 4,-1.1 -4,-0.3 -1,-0.2 0.881 115.2 46.8 -73.9 -41.3 32.7 51.6 3.6 102 111 A F H X S+ 0 0 8 -4,-0.9 4,-2.1 1,-0.2 -2,-0.2 0.830 110.7 53.3 -66.3 -36.3 34.9 51.8 6.7 103 112 A R H X S+ 0 0 63 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.913 102.7 56.6 -63.7 -43.1 37.8 50.4 4.8 104 113 A A H < S+ 0 0 52 -4,-1.2 4,-0.4 1,-0.2 -1,-0.2 0.801 110.0 46.4 -59.8 -37.4 37.6 53.0 2.0 105 114 A L H >X S+ 0 0 1 -4,-1.1 3,-2.4 2,-0.2 4,-1.2 0.953 109.3 50.5 -72.1 -54.4 37.9 55.7 4.6 106 115 A A H 3X S+ 0 0 2 -4,-2.1 4,-1.6 1,-0.3 3,-0.3 0.872 108.1 58.4 -54.1 -34.1 40.9 54.2 6.5 107 116 A N H 3X S+ 0 0 72 -4,-2.5 4,-1.6 1,-0.2 -1,-0.3 0.762 97.3 58.1 -62.0 -35.0 42.4 54.0 3.1 108 117 A Q H <4 S+ 0 0 116 -3,-2.4 -1,-0.2 -4,-0.4 -2,-0.2 0.861 112.0 43.3 -61.8 -44.4 42.0 57.7 2.5 109 118 A V H < S+ 0 0 6 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.695 131.7 15.9 -71.9 -39.5 44.2 58.2 5.6 110 119 A V H < S+ 0 0 12 -4,-1.6 243,-0.4 100,-0.1 242,-0.2 0.350 96.4 116.2-114.3 -11.3 47.0 55.5 5.1 111 120 A G S >X S- 0 0 0 -4,-1.6 4,-1.4 -5,-0.3 3,-0.5 0.157 82.7 -77.3 -54.7-173.0 46.7 54.6 1.4 112 121 A M H 3> S+ 0 0 101 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.869 124.3 56.5 -54.1 -59.6 49.3 55.1 -1.3 113 122 A P H 3> S+ 0 0 101 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.807 106.8 52.1 -49.2 -32.1 48.8 58.8 -2.0 114 123 A V H <> S+ 0 0 29 -3,-0.5 4,-2.1 2,-0.2 3,-0.2 0.912 109.1 47.7 -70.3 -44.6 49.5 59.6 1.7 115 124 A V H X S+ 0 0 5 -4,-1.4 4,-1.2 1,-0.2 7,-0.2 0.909 108.4 56.6 -65.7 -41.2 52.8 57.6 1.6 116 125 A D H < S+ 0 0 109 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.847 111.5 43.5 -52.0 -39.1 53.7 59.4 -1.6 117 126 A K H < S+ 0 0 155 -4,-1.1 3,-0.3 -3,-0.2 -2,-0.2 0.836 115.0 47.1 -76.5 -42.3 53.2 62.7 0.3 118 127 A L H >X S+ 0 0 7 -4,-2.1 4,-1.6 1,-0.2 3,-0.9 0.475 82.9 103.3 -82.5 -0.8 55.0 61.7 3.5 119 128 A E H >X S+ 0 0 55 -4,-1.2 4,-2.7 1,-0.3 3,-0.7 0.837 76.9 48.7 -52.3 -58.0 58.0 60.2 1.6 120 129 A N H 3> S+ 0 0 134 -3,-0.3 4,-2.1 1,-0.3 -1,-0.3 0.756 111.7 50.6 -58.3 -34.6 60.5 63.0 2.2 121 130 A R H <> S+ 0 0 117 -3,-0.9 4,-2.3 2,-0.2 -1,-0.3 0.767 109.3 51.3 -71.3 -34.3 59.8 63.1 5.9 122 131 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 3,-1.9 0.958 111.0 50.1 -69.4 -49.3 71.0 57.1 11.7 131 140 A E H 3< S+ 0 0 60 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.928 108.9 54.4 -57.7 -39.8 73.5 59.9 11.4 132 141 A S T 3< S+ 0 0 74 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.632 114.8 39.8 -63.2 -25.7 72.9 60.7 15.1 133 142 A L T X4>S+ 0 0 12 -3,-1.9 3,-2.2 -4,-0.4 5,-0.5 0.819 94.3 83.1 -92.1 -44.2 73.7 57.1 16.0 134 143 A R G ><5S+ 0 0 42 -4,-2.8 3,-1.0 1,-0.3 -2,-0.2 0.746 88.0 50.2 -31.3 -52.8 76.6 56.4 13.7 135 144 A P G 3 5S+ 0 0 75 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.690 98.8 66.5 -71.9 -8.6 79.4 58.0 15.7 136 145 A Q G < 5S- 0 0 118 -3,-2.2 -2,-0.2 2,-0.1 261,-0.1 0.733 87.7-144.9 -85.3 -17.2 78.6 56.1 19.0 137 146 A G T < 5S+ 0 0 8 -3,-1.0 260,-1.8 -4,-0.5 2,-0.3 0.757 73.9 58.7 58.7 22.0 79.5 52.7 17.5 138 147 A Q E < +F 396 0B 125 -5,-0.5 2,-0.3 258,-0.2 258,-0.2 -0.810 54.4 159.1-172.3 131.0 76.6 51.2 19.6 139 148 A C E -F 395 0B 11 256,-1.1 256,-2.5 -2,-0.3 2,-0.8 -0.967 46.0-113.9-136.2-174.1 72.8 51.5 20.2 140 149 A N E > -F 394 0B 34 -2,-0.3 4,-3.6 254,-0.2 5,-0.3 -0.947 37.1-164.2-104.5 63.1 69.8 49.6 21.5 141 150 A F H >>S+ 0 0 0 252,-2.2 5,-3.6 -2,-0.8 4,-1.8 0.816 82.8 56.3 -38.6 -38.3 68.2 49.4 18.0 142 151 A T H 4>S+ 0 0 10 1,-0.2 5,-2.0 3,-0.2 3,-0.2 0.992 123.3 25.1 -61.9 -51.4 64.8 48.5 19.4 143 152 A E H 45S+ 0 0 117 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.816 125.3 48.5 -79.2 -35.8 64.7 51.6 21.5 144 153 A D H <5S- 0 0 57 -4,-3.6 -1,-0.2 3,-0.1 -3,-0.2 0.509 134.8 -8.9 -78.6 -28.2 67.1 53.9 19.5 145 154 A Y T X5S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 -3,-0.2 0.429 121.8 63.8-135.2 -57.4 65.7 53.4 16.0 146 155 A A T 4 S+ 0 0 24 0, 0.0 4,-2.6 0, 0.0 5,-0.4 0.835 107.8 61.3 -52.1 -49.4 61.2 56.3 17.3 149 158 A F H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -3,-0.1 0.969 114.9 27.4 -45.7 -68.2 61.3 55.8 13.5 150 159 A P H > S+ 0 0 1 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.862 122.2 55.2 -68.9 -30.8 57.9 54.5 12.8 151 160 A I H >X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 3,-0.5 0.934 105.9 46.9 -72.3 -47.7 56.3 56.1 15.8 152 161 A R H 3X S+ 0 0 81 -4,-2.6 4,-2.3 1,-0.3 -1,-0.2 0.855 111.7 53.9 -66.5 -34.0 57.3 59.7 15.2 153 162 A I H 3X S+ 0 0 4 -4,-1.2 4,-1.4 -5,-0.4 -1,-0.3 0.755 111.5 44.6 -65.6 -32.8 56.1 59.3 11.6 154 163 A F H S+ 0 0 3 -4,-3.2 5,-1.9 1,-0.3 4,-1.2 0.953 111.5 48.1 -59.2 -42.8 52.5 60.9 15.4 156 165 A L H <5S+ 0 0 68 -4,-2.3 3,-0.3 -5,-0.2 -1,-0.3 0.893 113.8 45.5 -53.7 -56.8 53.2 63.3 12.5 157 166 A L H <5S+ 0 0 17 -4,-1.4 53,-2.1 1,-0.2 -1,-0.2 0.857 118.4 42.6 -57.5 -42.0 50.5 61.7 10.3 158 167 A A H <5S- 0 0 0 -4,-3.0 53,-0.4 51,-0.2 -1,-0.2 0.449 106.6-125.8 -84.8 -18.4 48.0 61.5 13.1 159 168 A G T <5 + 0 0 37 -4,-1.2 -3,-0.2 -3,-0.3 -4,-0.1 0.782 61.3 141.1 69.7 37.1 48.8 65.0 14.4 160 169 A L < - 0 0 12 -5,-1.9 2,-0.4 -6,-0.2 -1,-0.2 -0.818 57.0 -92.0-110.6 157.3 49.5 63.8 18.0 161 170 A P > - 0 0 46 0, 0.0 3,-4.0 0, 0.0 4,-0.4 -0.444 18.0-142.6 -70.3 128.4 52.1 64.8 20.6 162 171 A E G > S+ 0 0 89 -2,-0.4 3,-1.2 1,-0.3 -7,-0.0 0.739 101.0 71.8 -56.3 -21.5 55.4 62.8 20.7 163 172 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.710 89.9 59.8 -69.0 -21.8 55.1 63.2 24.4 164 173 A D G X> S+ 0 0 49 -3,-4.0 4,-3.2 1,-0.2 3,-0.6 0.608 77.8 95.5 -86.7 -11.0 52.2 60.7 24.3 165 174 A I H <> S+ 0 0 33 -3,-1.2 4,-3.4 -4,-0.4 5,-0.3 0.854 81.7 47.1 -44.9 -59.5 54.3 57.9 22.9 166 175 A P H 3> S+ 0 0 96 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.813 115.7 44.7 -56.2 -43.9 55.3 56.1 26.1 167 176 A H H <> S+ 0 0 100 -3,-0.6 4,-1.5 -4,-0.3 -2,-0.2 0.968 119.1 43.9 -69.2 -46.9 51.8 56.1 27.5 168 177 A L H X S+ 0 0 0 -4,-3.2 4,-1.6 1,-0.2 -3,-0.2 0.824 110.5 52.4 -63.4 -43.4 50.4 55.0 24.1 169 178 A K H X S+ 0 0 15 -4,-3.4 4,-2.4 -5,-0.2 -1,-0.2 0.863 105.1 58.0 -65.0 -33.5 53.0 52.4 23.3 170 179 A Y H X S+ 0 0 97 -4,-1.5 4,-1.8 -5,-0.3 -2,-0.2 0.938 108.8 43.4 -65.8 -47.5 52.3 50.7 26.7 171 180 A L H X S+ 0 0 4 -4,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.769 111.9 53.6 -62.3 -37.6 48.6 50.2 26.0 172 181 A T H >X S+ 0 0 0 -4,-1.6 3,-1.9 1,-0.2 4,-1.3 0.983 108.7 51.2 -65.8 -42.6 49.3 49.0 22.4 173 182 A D H 3X S+ 0 0 41 -4,-2.4 4,-2.9 1,-0.3 -2,-0.2 0.807 103.7 55.4 -60.2 -41.7 51.7 46.4 23.8 174 183 A Q H 3< S+ 0 0 12 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.701 105.4 58.1 -64.6 -22.8 49.2 45.1 26.3 175 184 A M H << S+ 0 0 2 -3,-1.9 -2,-0.2 -4,-0.5 -1,-0.2 0.955 121.7 19.2 -74.7 -45.8 46.9 44.5 23.3 176 185 A T H < S+ 0 0 2 -4,-1.3 210,-2.0 1,-0.2 -2,-0.2 0.818 135.7 34.9 -94.4 -34.8 49.2 42.2 21.3 177 186 A R S < S- 0 0 36 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 -0.448 83.6-152.5-126.3 68.4 51.6 41.0 24.0 178 187 A P - 0 0 62 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.004 12.1-172.5 -45.3 126.1 49.5 40.7 27.1 179 188 A D - 0 0 107 3,-0.3 4,-0.1 -5,-0.1 -5,-0.0 0.830 41.5-114.8 -91.5 -45.9 51.7 41.2 30.1 180 189 A G S S+ 0 0 71 2,-0.4 3,-0.2 -6,-0.1 -6,-0.0 0.066 93.9 102.9 123.8 -9.7 49.1 40.4 32.8 181 190 A S S S+ 0 0 61 1,-0.3 2,-0.3 2,-0.0 -7,-0.0 0.685 93.5 10.0 -71.3 -29.7 49.2 43.9 34.2 182 191 A M S S- 0 0 54 -8,-0.1 -2,-0.4 -11,-0.0 -3,-0.3 -0.919 76.8-123.0-157.5 137.5 45.9 44.8 32.5 183 192 A T > - 0 0 86 -2,-0.3 4,-1.9 -3,-0.2 5,-0.1 0.020 39.5 -97.6 -67.3 170.1 43.3 42.8 30.7 184 193 A F H > S+ 0 0 19 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.972 122.6 51.8 -63.6 -49.2 42.2 43.6 27.1 185 194 A A H > S+ 0 0 45 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.837 110.7 46.7 -55.1 -46.5 39.1 45.6 28.2 186 195 A E H > S+ 0 0 115 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.907 115.2 47.5 -60.7 -47.3 41.2 47.8 30.6 187 196 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.952 113.3 48.2 -60.2 -47.6 43.8 48.4 27.8 188 197 A K H X S+ 0 0 24 -4,-3.4 4,-1.3 1,-0.2 -1,-0.2 0.811 111.4 50.3 -59.7 -44.2 41.1 49.1 25.3 189 198 A E H X S+ 0 0 91 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.806 107.4 51.8 -65.7 -38.9 39.3 51.6 27.6 190 199 A A H X S+ 0 0 30 -4,-2.0 4,-1.1 2,-0.3 -2,-0.2 0.828 109.7 49.4 -69.5 -39.0 42.5 53.6 28.5 191 200 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.854 113.4 49.4 -63.0 -41.6 43.3 54.1 24.8 192 201 A Y H X S+ 0 0 2 -4,-1.3 4,-2.3 2,-0.2 -2,-0.3 0.909 103.6 56.3 -65.3 -40.3 39.7 55.2 24.4 193 202 A D H < S+ 0 0 119 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.809 112.3 47.6 -57.4 -37.1 39.9 57.6 27.4 194 203 A Y H X S+ 0 0 30 -4,-1.1 4,-0.8 -5,-0.1 -2,-0.2 0.951 113.8 41.7 -64.5 -61.8 42.8 59.1 25.4 195 204 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.815 98.0 72.8 -62.5 -45.1 41.3 59.4 22.0 196 205 A I H X S+ 0 0 53 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.893 98.2 45.7 -43.0 -56.7 37.8 60.6 22.8 197 206 A P H > S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.884 113.3 51.3 -54.5 -46.4 38.7 64.2 23.7 198 207 A I H X S+ 0 0 20 -4,-0.8 4,-1.3 1,-0.2 -2,-0.2 0.913 111.7 46.8 -57.6 -48.6 40.9 64.5 20.7 199 208 A I H >X S+ 0 0 1 -4,-2.6 3,-0.5 2,-0.2 4,-0.5 0.887 109.4 53.5 -61.0 -47.8 38.2 63.3 18.4 200 209 A E H >X S+ 0 0 106 -4,-2.8 4,-1.5 1,-0.3 3,-1.5 0.947 110.6 48.5 -50.5 -49.3 35.6 65.6 20.0 201 210 A Q H 3X S+ 0 0 99 -4,-2.2 4,-2.1 1,-0.3 -1,-0.3 0.693 109.3 51.3 -66.7 -26.4 38.0 68.5 19.3 202 211 A R H << S+ 0 0 32 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.355 103.6 58.2 -96.6 -3.7 38.6 67.5 15.7 203 212 A R H << S+ 0 0 92 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.1 0.856 115.5 37.3 -83.3 -40.7 34.9 67.3 14.9 204 213 A Q H < S+ 0 0 138 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.899 134.3 21.5 -72.1 -54.1 34.7 71.0 16.0 205 214 A K S < S- 0 0 148 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.1 -0.715 84.0-156.7-127.6 85.2 38.0 72.2 14.6 206 215 A P - 0 0 79 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.117 9.8-171.8 -61.4 147.3 39.2 69.9 11.8 207 216 A G - 0 0 41 -5,-0.2 -48,-0.0 2,-0.1 -5,-0.0 -0.369 39.6-101.7-117.0-158.1 42.8 69.7 10.8 208 217 A T S S+ 0 0 141 -2,-0.2 -49,-0.1 4,-0.1 5,-0.0 0.334 84.9 110.9-110.1 -9.2 44.6 68.0 7.9 209 218 A D S > S- 0 0 25 -51,-0.1 4,-2.0 1,-0.1 -51,-0.2 -0.069 84.5-104.6 -66.7 168.9 45.7 65.1 10.2 210 219 A A H > S+ 0 0 7 -53,-2.1 4,-2.1 2,-0.2 5,-0.2 0.860 120.4 54.0 -62.1 -40.6 44.5 61.5 9.9 211 220 A I H > S+ 0 0 3 -53,-0.4 4,-2.9 1,-0.2 3,-0.3 0.984 108.2 49.3 -64.3 -42.6 42.3 61.9 13.1 212 221 A S H > S+ 0 0 3 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.873 111.2 50.2 -60.9 -43.9 40.6 64.9 11.6 213 222 A I H < S+ 0 0 66 -4,-2.0 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