==== 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 (OXYGENASE) 02-DEC-95 1NOO . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR H.Y.LI,T.L.POULOS . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 67.9 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 . 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 . 17 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 37.8 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 2 1 2 0 0 2 0 2 1 2 0 0 0 1 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 0 190 0, 0.0 2,-0.5 0, 0.0 50,-0.4 0.000 360.0 360.0 360.0-100.6 46.9 26.3 31.9 2 11 A L - 0 0 72 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.825 360.0-143.9-100.3 127.8 45.2 23.7 29.8 3 12 A A - 0 0 27 45,-2.7 49,-0.0 -2,-0.5 2,-0.0 -0.608 34.8 -87.9 -86.4 148.7 41.4 23.9 29.3 4 13 A P - 0 0 117 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.303 50.1-103.6 -58.4 132.5 39.2 20.8 29.2 5 14 A L - 0 0 60 1,-0.1 6,-0.1 2,-0.1 43,-0.0 -0.324 36.4-120.2 -59.6 128.9 38.9 19.3 25.8 6 15 A P > - 0 0 30 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.483 24.0-111.3 -71.0 150.6 35.5 20.1 24.2 7 16 A P T 3 S+ 0 0 135 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.807 113.4 53.0 -48.3 -43.6 33.3 17.1 23.2 8 17 A H T 3 S+ 0 0 37 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.490 85.7 98.8 -77.3 -2.7 33.6 17.6 19.4 9 18 A V S < S- 0 0 7 -3,-2.0 2,-0.3 292,-0.1 5,-0.1 -0.760 71.2-137.0 -93.1 113.0 37.4 17.7 19.4 10 19 A P > - 0 0 53 0, 0.0 3,-2.6 0, 0.0 36,-0.1 -0.509 17.3-133.7 -64.6 125.5 39.1 14.4 18.3 11 20 A E G > S+ 0 0 168 -2,-0.3 3,-1.0 1,-0.3 35,-0.1 0.641 101.6 66.7 -59.0 -14.4 42.0 14.0 20.8 12 21 A H G 3 S+ 0 0 146 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.541 95.6 58.6 -83.0 -5.6 44.4 13.1 18.0 13 22 A L G < S+ 0 0 16 -3,-2.6 33,-2.9 32,-0.1 2,-0.3 0.296 82.6 114.1-101.0 6.0 44.0 16.7 16.7 14 23 A V B < +a 46 0A 36 -3,-1.0 2,-0.3 31,-0.2 33,-0.2 -0.644 29.8 159.2 -83.6 133.5 45.2 18.1 20.0 15 24 A F - 0 0 60 31,-2.5 2,-1.6 -2,-0.3 30,-0.1 -0.823 33.4-141.2-153.4 103.4 48.5 20.0 20.1 16 25 A D + 0 0 57 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.557 33.8 164.0 -75.8 86.9 49.0 22.3 23.0 17 26 A F - 0 0 8 -2,-1.6 2,-0.7 32,-0.1 32,-0.3 -0.883 26.9-151.0-104.8 130.9 50.7 25.3 21.5 18 27 A D > - 0 0 47 -2,-0.4 3,-1.9 3,-0.2 -2,-0.0 -0.887 2.5-162.8-106.4 104.8 50.8 28.6 23.6 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.597 91.3 51.1 -61.0 -15.5 50.9 31.5 21.2 20 29 A Y T 3 S+ 0 0 38 1,-0.2 364,-0.4 363,-0.0 -1,-0.3 0.495 129.4 15.4 -99.2 -8.3 52.0 33.8 24.0 21 30 A N S < S- 0 0 101 -3,-1.9 -3,-0.2 362,-0.1 -1,-0.2 -0.285 76.2-172.2-162.0 66.4 54.8 31.5 25.1 22 31 A P > - 0 0 3 0, 0.0 3,-1.2 0, 0.0 11,-0.1 -0.317 32.0-116.6 -64.3 150.1 55.8 28.9 22.6 23 32 A S T 3 S+ 0 0 126 1,-0.2 3,-0.4 9,-0.2 10,-0.1 0.845 106.6 44.5 -55.6 -47.6 58.3 26.3 23.8 24 33 A N T > + 0 0 86 8,-0.2 3,-2.1 1,-0.2 4,-0.3 0.093 69.8 129.5 -92.8 29.0 61.3 26.9 21.6 25 34 A L G X + 0 0 28 -3,-1.2 3,-1.8 1,-0.3 357,-0.4 0.753 62.9 68.5 -53.0 -29.4 61.2 30.7 21.8 26 35 A S G 3 S+ 0 0 121 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.825 96.4 54.4 -60.9 -31.4 64.9 30.7 22.7 27 36 A A G < S- 0 0 52 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.455 132.5 -70.8 -82.3 -2.2 65.7 29.6 19.1 28 37 A G <> - 0 0 7 -3,-1.8 4,-2.2 -4,-0.3 -1,-0.3 -0.124 40.0-102.9 119.9 143.9 63.7 32.5 17.7 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.919 120.0 48.4 -66.3 -44.8 60.0 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 0.929 114.1 48.4 -61.5 -41.3 59.5 32.2 13.9 31 40 A E H 4 S+ 0 0 61 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.878 109.0 54.9 -63.8 -38.4 61.4 29.0 14.6 32 41 A A H >< S+ 0 0 1 -4,-2.2 3,-0.7 1,-0.2 -8,-0.2 0.895 111.9 42.0 -62.6 -43.0 59.2 28.5 17.7 33 42 A W H >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.784 101.1 72.0 -74.4 -29.3 56.0 28.7 15.7 34 43 A A G >< S+ 0 0 22 -4,-1.9 3,-1.9 1,-0.3 -1,-0.2 0.591 75.2 80.9 -65.2 -9.9 57.4 26.6 12.8 35 44 A V G X S+ 0 0 40 -3,-0.7 3,-1.4 -4,-0.4 -1,-0.3 0.753 79.5 70.8 -66.7 -19.9 57.2 23.5 15.0 36 45 A L G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.575 95.1 54.5 -70.0 -9.9 53.5 23.6 14.0 37 46 A Q G < S+ 0 0 7 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.200 78.0 120.4-110.4 15.1 54.6 22.5 10.5 38 47 A E S X S- 0 0 108 -3,-1.4 3,-2.5 1,-0.1 -3,-0.0 -0.517 79.1-106.9 -77.2 151.1 56.6 19.4 11.5 39 48 A S T 3 S+ 0 0 123 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.679 116.6 62.1 -50.1 -26.2 55.5 16.1 9.9 40 49 A N T 3 S+ 0 0 121 2,-0.1 -1,-0.3 0, 0.0 -4,-0.1 0.651 90.3 82.2 -79.4 -10.4 54.0 14.9 13.2 41 50 A V S < S- 0 0 7 -3,-2.5 -28,-0.1 -6,-0.1 4,-0.1 -0.771 78.8-127.9-102.2 130.4 51.5 17.8 13.4 42 51 A P - 0 0 44 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.275 26.6-111.7 -65.5 163.8 48.2 17.7 11.5 43 52 A D S S+ 0 0 55 1,-0.2 14,-3.1 13,-0.1 15,-0.5 0.783 108.8 36.2 -67.6 -29.8 47.3 20.7 9.3 44 53 A L E S+ B 0 56A 6 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.986 80.2 170.6-128.3 117.1 44.5 21.7 11.6 45 54 A V E - B 0 55A 0 10,-2.2 10,-2.0 -2,-0.5 2,-0.4 -0.820 27.5-133.0-125.8 168.3 45.0 21.3 15.3 46 55 A W E -aB 14 54A 11 -33,-2.9 -31,-2.5 -2,-0.3 2,-0.4 -0.984 17.3-160.1-123.5 127.4 43.4 22.2 18.6 47 56 A T E - B 0 53A 0 6,-2.6 6,-1.8 -2,-0.4 -31,-0.2 -0.826 14.6-152.9-107.3 147.6 45.3 23.7 21.5 48 57 A R > + 0 0 79 -2,-0.4 -45,-2.7 4,-0.2 3,-0.6 0.394 67.5 101.4 -96.4 1.5 44.1 23.6 25.1 49 58 A C G > S+ 0 0 10 -32,-0.3 3,-2.1 1,-0.2 -47,-0.1 -0.438 79.3 19.5 -83.7 159.1 46.1 26.7 25.9 50 59 A N G 3 S- 0 0 44 -49,-0.4 31,-0.4 1,-0.3 -1,-0.2 0.776 141.1 -48.1 53.7 33.1 44.5 30.2 26.2 51 60 A G G < S- 0 0 61 -3,-0.6 -1,-0.3 -50,-0.4 -2,-0.1 0.293 102.1 -70.9 95.5 -8.5 41.1 28.8 26.6 52 61 A G < + 0 0 7 -3,-2.1 256,-0.3 1,-0.1 2,-0.3 0.395 65.9 157.1 93.3 128.9 41.1 26.3 23.8 53 62 A H E -B 47 0A 1 -6,-1.8 -6,-2.6 254,-0.1 256,-0.2 -0.943 38.2 -98.7-175.3 159.5 41.0 27.1 20.0 54 63 A W E -Bc 46 309A 0 254,-2.2 256,-3.2 -2,-0.3 2,-0.3 -0.421 27.2-161.2 -84.5 161.9 41.9 25.8 16.6 55 64 A I E -Bc 45 310A 0 -10,-2.0 -10,-2.2 254,-0.2 2,-0.5 -0.963 10.2-146.6-145.9 122.9 45.1 26.7 14.7 56 65 A A E -B 44 0A 0 254,-2.2 -12,-0.2 -2,-0.3 -13,-0.1 -0.835 13.5-171.4 -90.1 130.9 45.5 26.2 10.9 57 66 A T + 0 0 0 -14,-3.1 2,-0.4 -2,-0.5 -13,-0.1 0.545 55.4 73.6-101.7 -10.3 49.1 25.4 10.2 58 67 A R S > S- 0 0 5 -15,-0.5 4,-2.3 1,-0.1 3,-0.5 -0.892 75.4-129.2-113.6 142.1 49.3 25.5 6.4 59 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.2 256,-0.3 5,-0.2 0.796 108.7 58.4 -51.6 -33.5 49.3 28.5 4.0 60 69 A Q H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.936 109.5 40.2 -63.8 -49.5 46.6 26.8 2.0 61 70 A L H > S+ 0 0 4 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.856 113.9 55.5 -69.2 -34.8 44.1 26.6 4.9 62 71 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.934 109.5 45.3 -64.2 -45.4 45.1 30.0 6.2 63 72 A R H X S+ 0 0 46 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.894 113.7 50.5 -64.3 -42.6 44.3 31.7 2.9 64 73 A E H >X S+ 0 0 75 -4,-1.8 4,-2.3 2,-0.2 3,-1.2 0.952 110.3 47.1 -59.4 -55.7 41.0 29.8 2.5 65 74 A A H 3< S+ 0 0 1 -4,-2.6 7,-0.2 1,-0.3 -1,-0.2 0.885 111.4 53.4 -55.4 -39.7 39.7 30.7 6.0 66 75 A Y H 3< S+ 0 0 8 -4,-2.0 279,-0.4 -5,-0.2 -1,-0.3 0.667 111.3 45.5 -70.0 -20.9 40.7 34.3 5.3 67 76 A E H << S+ 0 0 119 -3,-1.2 2,-1.6 -4,-0.9 -2,-0.2 0.780 100.3 71.8 -89.3 -33.2 38.7 34.4 2.1 68 77 A D >X + 0 0 33 -4,-2.3 4,-2.0 1,-0.2 3,-0.7 -0.557 51.4 160.2 -87.0 79.4 35.6 32.7 3.5 69 78 A Y T 34 + 0 0 79 -2,-1.6 -1,-0.2 1,-0.2 5,-0.1 0.660 64.6 74.2 -73.9 -14.4 34.2 35.4 5.8 70 79 A R T 34 S+ 0 0 170 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.858 114.6 19.8 -64.1 -38.7 30.8 33.7 5.7 71 80 A H T <4 S+ 0 0 50 -3,-0.7 222,-2.2 1,-0.2 2,-0.7 0.736 126.6 53.4-101.5 -30.4 32.0 30.9 8.1 72 81 A F E < S-D 292 0A 1 -4,-2.0 2,-0.2 -7,-0.2 -1,-0.2 -0.865 78.0-166.3-111.9 95.3 35.0 32.7 9.6 73 82 A S E > -D 291 0A 4 218,-3.1 218,-2.6 -2,-0.7 3,-0.6 -0.587 25.7-143.5 -87.0 149.0 34.0 36.0 11.0 74 83 A S T 3 S+ 0 0 1 -2,-0.2 -1,-0.1 1,-0.2 20,-0.1 0.480 77.5 101.6 -83.0 -6.8 36.2 38.9 12.1 75 84 A E T 3 S+ 0 0 135 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.823 94.7 24.0 -47.1 -43.1 33.9 39.8 14.9 76 85 A C S < S+ 0 0 4 -3,-0.6 -1,-0.3 1,-0.1 8,-0.2 -0.791 77.0 156.4-127.5 82.2 36.1 38.1 17.5 77 86 A P + 0 0 0 0, 0.0 212,-2.8 0, 0.0 2,-0.3 0.603 49.6 72.9 -84.4 -17.8 39.6 38.2 15.9 78 87 A F S S- 0 0 15 210,-0.2 6,-0.6 3,-0.2 9,-0.1 -0.766 77.1-114.3-104.6 152.0 41.8 38.0 19.0 79 88 A I S S+ 0 0 4 -2,-0.3 2,-0.1 4,-0.2 307,-0.1 -0.925 88.9 57.4-121.7 140.4 42.5 35.1 21.3 80 89 A P S >> S- 0 0 29 0, 0.0 3,-2.0 0, 0.0 4,-1.9 0.579 90.2-122.1 -69.0 162.7 41.8 34.6 24.2 81 90 A R H 3> S+ 0 0 80 -31,-0.4 4,-2.9 1,-0.3 5,-0.3 0.846 109.7 61.3 -41.6 -49.7 38.0 35.0 23.8 82 91 A E H 3> S+ 0 0 129 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.814 109.3 43.2 -50.0 -37.6 37.8 37.9 26.3 83 92 A A H <> S+ 0 0 9 -3,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.920 112.8 50.9 -75.5 -45.9 40.2 39.9 24.1 84 93 A G H < S+ 0 0 0 -4,-1.9 -2,-0.2 -6,-0.6 -1,-0.2 0.811 113.0 47.8 -61.4 -31.0 38.4 38.9 20.9 85 94 A E H < S+ 0 0 138 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.816 111.1 47.7 -78.5 -36.4 35.1 40.0 22.5 86 95 A A H < S+ 0 0 19 -4,-1.3 2,-0.5 -5,-0.3 -2,-0.2 0.645 90.2 106.6 -77.7 -14.9 36.4 43.3 23.8 87 96 A Y < + 0 0 14 -4,-1.3 -9,-0.1 1,-0.1 98,-0.0 -0.539 31.2 150.2 -70.0 115.9 37.9 43.9 20.3 88 97 A D + 0 0 39 -2,-0.5 -1,-0.1 -12,-0.1 143,-0.1 0.162 16.8 143.7-133.8 18.2 35.8 46.6 18.5 89 98 A F > - 0 0 4 145,-0.1 4,-2.9 1,-0.1 143,-0.2 -0.299 49.8-100.9 -62.2 142.7 38.3 48.3 16.2 90 99 A I T 4 S+ 0 0 0 141,-1.0 145,-0.3 1,-0.2 -2,-0.1 -0.906 94.8 8.2-111.0 141.5 37.0 49.3 12.7 91 100 A P T >4 S+ 0 0 8 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.998 124.1 62.5 -84.9 -4.7 37.3 48.1 10.0 92 101 A T T 34 S+ 0 0 25 1,-0.3 -2,-0.2 140,-0.1 7,-0.1 0.825 100.6 49.4 -52.4 -44.2 38.9 45.0 11.5 93 102 A S T 3< S+ 0 0 18 -4,-2.9 2,-0.3 -18,-0.1 -1,-0.3 0.429 101.1 85.3 -80.5 6.7 36.0 43.7 13.6 94 103 A M < - 0 0 13 -3,-1.9 -6,-0.0 -5,-0.2 -5,-0.0 -0.833 64.9-148.5-111.1 146.7 33.6 44.0 10.7 95 104 A D >> - 0 0 37 -2,-0.3 4,-1.7 1,-0.1 3,-0.5 -0.595 44.1 -50.3-103.4 161.9 32.8 41.6 7.9 96 105 A P T 34 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.423 114.2 26.7 -69.5 157.5 31.8 42.5 4.3 97 106 A P T 3> S+ 0 0 114 0, 0.0 4,-0.5 0, 0.0 3,-0.3 -0.998 125.7 48.2 -84.8 -4.6 29.9 44.3 3.0 98 107 A E H X> S+ 0 0 121 -3,-0.5 3,-0.8 1,-0.2 4,-0.8 0.905 106.6 58.1 -58.7 -45.7 29.8 46.6 6.1 99 108 A Q H 3X S+ 0 0 6 -4,-1.7 4,-2.7 1,-0.2 3,-0.4 0.862 90.8 75.0 -51.2 -43.5 33.6 46.8 6.4 100 109 A R H 3> S+ 0 0 175 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.771 92.5 48.6 -41.2 -49.5 33.9 48.2 2.9 101 110 A Q H X S+ 0 0 2 -4,-2.4 4,-1.4 1,-0.2 3,-0.5 0.888 107.8 57.3 -58.3 -36.2 40.9 54.5 6.5 107 116 A N H 3X S+ 0 0 77 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.876 97.2 60.9 -62.2 -38.9 42.5 54.1 3.1 108 117 A Q H 3< S+ 0 0 124 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.858 110.1 42.5 -56.9 -36.8 42.2 57.9 2.5 109 118 A V H << S+ 0 0 3 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.730 130.5 17.9 -86.6 -25.9 44.4 58.4 5.5 110 119 A V H < S+ 0 0 15 -4,-1.4 243,-0.3 -3,-0.2 -2,-0.2 0.333 97.0 115.8-126.8 6.3 47.2 55.8 5.2 111 120 A G S >X S- 0 0 0 -4,-2.3 4,-1.5 -5,-0.3 3,-1.2 0.047 84.7 -75.6 -68.5-176.6 46.9 54.8 1.6 112 121 A M H 3> S+ 0 0 101 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.837 125.6 55.9 -46.8 -52.2 49.4 55.3 -1.3 113 122 A P H 3> S+ 0 0 103 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.786 106.7 51.5 -56.2 -31.0 48.9 59.1 -1.8 114 123 A V H <> S+ 0 0 24 -3,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.900 109.5 49.8 -73.9 -39.6 49.7 59.8 1.9 115 124 A V H X S+ 0 0 8 -4,-1.5 4,-1.2 2,-0.2 7,-0.2 0.917 108.7 51.3 -64.7 -45.1 52.9 57.8 1.7 116 125 A D H < S+ 0 0 111 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.865 112.4 48.6 -60.3 -35.0 54.1 59.7 -1.5 117 126 A K H < S+ 0 0 153 -4,-1.2 3,-0.4 -5,-0.2 -1,-0.2 0.883 114.5 43.7 -72.8 -38.7 53.4 62.9 0.3 118 127 A L H >X S+ 0 0 11 -4,-2.2 4,-2.1 1,-0.2 3,-0.7 0.519 84.1 102.4 -85.0 -5.7 55.3 61.9 3.4 119 128 A E H 3X S+ 0 0 49 -4,-1.2 4,-2.6 1,-0.2 5,-0.2 0.863 78.3 50.9 -44.2 -52.2 58.2 60.4 1.6 120 129 A N H 3> S+ 0 0 135 -3,-0.4 4,-2.5 -4,-0.3 -1,-0.2 0.850 111.4 47.1 -60.6 -36.5 60.6 63.3 2.1 121 130 A R H <> S+ 0 0 123 -3,-0.7 4,-2.8 -4,-0.2 -1,-0.2 0.854 110.9 52.8 -73.3 -35.9 60.0 63.4 5.9 122 131 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.962 113.3 43.5 -60.6 -51.4 60.5 59.7 6.1 123 132 A Q H X S+ 0 0 61 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.944 114.5 51.0 -57.1 -51.8 63.8 60.0 4.3 124 133 A E H X S+ 0 0 108 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.913 110.6 47.1 -54.4 -50.9 64.8 63.0 6.4 125 134 A L H X S+ 0 0 26 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.876 112.0 51.3 -62.2 -37.8 64.0 61.4 9.8 126 135 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.944 111.5 45.2 -64.9 -50.4 65.9 58.2 8.8 127 136 A C H X S+ 0 0 27 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.911 115.2 48.9 -60.6 -42.5 69.1 60.0 7.7 128 137 A S H X S+ 0 0 75 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.940 112.3 46.6 -63.8 -49.5 69.0 62.2 10.8 129 138 A L H X S+ 0 0 16 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.913 116.7 44.6 -60.1 -44.3 68.4 59.3 13.3 130 139 A I H >X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 3,-0.8 0.928 111.9 50.9 -68.2 -45.2 71.2 57.2 11.7 131 140 A E H 3< S+ 0 0 61 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.879 108.2 53.8 -61.7 -36.3 73.7 60.1 11.4 132 141 A S H 3< S+ 0 0 76 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.741 115.6 39.4 -69.2 -26.0 73.2 60.9 15.0 133 142 A L H XX S+ 0 0 13 -4,-0.8 3,-1.8 -3,-0.8 4,-0.6 0.833 96.1 84.0 -90.2 -37.4 74.0 57.3 16.0 134 143 A R G >< S+ 0 0 40 -4,-3.0 3,-0.7 1,-0.3 -2,-0.1 0.736 89.1 45.7 -36.1 -54.1 76.8 56.7 13.5 135 144 A P G 34 S+ 0 0 72 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.743 99.0 73.5 -70.0 -19.2 79.8 58.2 15.4 136 145 A Q G <4 S- 0 0 112 -3,-1.8 -2,-0.2 -4,-0.2 261,-0.1 0.780 86.7-144.6 -64.9 -31.7 78.8 56.4 18.7 137 146 A G S << S+ 0 0 11 -3,-0.7 260,-2.3 -4,-0.6 2,-0.3 0.576 72.0 47.0 77.4 6.9 79.8 53.0 17.6 138 147 A Q E +F 396 0B 127 -5,-0.4 2,-0.3 258,-0.3 258,-0.2 -0.969 54.7 159.5-170.2 159.0 77.0 51.3 19.5 139 148 A C E -F 395 0B 11 256,-1.8 256,-3.0 -2,-0.3 2,-0.9 -0.947 45.2-110.8-176.4 160.1 73.2 51.5 20.2 140 149 A N E > -F 394 0B 32 -2,-0.3 4,-2.9 254,-0.2 3,-0.4 -0.903 35.6-158.1-101.9 94.6 70.2 49.6 21.3 141 150 A F H >>S+ 0 0 0 252,-2.5 5,-2.7 -2,-0.9 4,-1.9 0.796 82.8 59.9 -46.6 -38.0 68.5 49.4 18.0 142 151 A T H 4>S+ 0 0 9 1,-0.2 5,-1.8 3,-0.2 -1,-0.2 0.968 120.6 23.4 -60.2 -52.0 65.1 48.8 19.4 143 152 A E H 45S+ 0 0 118 -3,-0.4 -2,-0.2 3,-0.2 -1,-0.2 0.727 124.8 51.8 -90.6 -17.0 64.9 51.9 21.4 144 153 A D H <5S- 0 0 56 -4,-2.9 -3,-0.2 3,-0.1 -2,-0.2 0.702 134.7 -10.7 -90.7 -20.6 67.4 54.0 19.5 145 154 A Y T X5S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -3,-0.2 0.549 122.5 62.0-141.0 -54.5 65.9 53.5 16.0 146 155 A A T 4 S+ 0 0 24 0, 0.0 4,-2.6 0, 0.0 5,-0.4 0.880 110.1 58.0 -59.3 -42.2 61.4 56.4 17.3 149 158 A F H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -3,-0.1 0.965 116.3 30.2 -54.4 -61.9 61.6 56.2 13.5 150 159 A P H > S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.941 122.5 50.3 -64.2 -46.4 58.2 54.6 12.8 151 160 A I H X S+ 0 0 2 -4,-1.9 4,-2.9 -5,-0.2 5,-0.2 0.856 107.8 50.4 -61.7 -43.1 56.4 56.2 15.7 152 161 A R H X S+ 0 0 88 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.883 109.9 52.3 -65.0 -36.6 57.5 59.8 15.2 153 162 A I H X S+ 0 0 4 -4,-1.3 4,-1.7 -5,-0.4 -2,-0.2 0.900 112.7 44.9 -65.1 -39.8 56.3 59.5 11.5 154 163 A F H X S+ 0 0 9 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.909 110.0 53.0 -71.0 -40.5 53.0 58.2 12.7 155 164 A M H X>S+ 0 0 4 -4,-2.9 5,-1.8 1,-0.2 4,-1.0 0.869 109.9 51.8 -62.2 -29.6 52.7 60.9 15.4 156 165 A L H <5S+ 0 0 78 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.885 111.4 45.5 -71.0 -40.7 53.4 63.4 12.6 157 166 A L H <5S+ 0 0 16 -4,-1.7 53,-2.5 1,-0.2 -2,-0.2 0.887 116.3 43.9 -69.3 -43.2 50.6 61.9 10.5 158 167 A A H <5S- 0 0 0 -4,-2.8 53,-0.5 51,-0.2 -1,-0.2 0.606 107.2-122.5 -79.5 -15.3 48.0 61.7 13.3 159 168 A G T <5 + 0 0 35 -4,-1.0 -3,-0.2 1,-0.3 -4,-0.1 0.796 62.8 141.8 76.5 29.4 48.8 65.2 14.6 160 169 A L < - 0 0 10 -5,-1.8 -1,-0.3 -6,-0.2 2,-0.1 -0.830 54.5-103.7-106.8 144.5 49.6 63.9 18.1 161 170 A P > - 0 0 52 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.376 18.6-129.4 -68.4 138.8 52.5 65.2 20.4 162 171 A E G > S+ 0 0 102 1,-0.3 3,-1.5 2,-0.2 -7,-0.0 0.749 103.0 73.9 -56.3 -24.9 55.7 63.1 20.8 163 172 A E G 3 S+ 0 0 154 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.743 89.7 58.3 -62.5 -24.6 55.2 63.5 24.6 164 173 A D G <> S+ 0 0 50 -3,-2.2 4,-2.4 1,-0.2 3,-0.4 0.603 78.9 94.7 -83.8 -8.7 52.4 61.0 24.5 165 174 A I H <> S+ 0 0 32 -3,-1.5 4,-3.0 -4,-0.3 5,-0.3 0.881 80.4 50.9 -49.3 -52.7 54.5 58.2 22.9 166 175 A P H > S+ 0 0 97 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.868 115.2 43.2 -55.0 -43.4 55.5 56.4 26.2 167 176 A H H > S+ 0 0 96 -3,-0.4 4,-2.0 -4,-0.3 -2,-0.2 0.956 117.6 43.7 -68.1 -52.3 52.0 56.2 27.5 168 177 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -3,-0.2 0.880 112.1 53.4 -62.1 -41.1 50.4 55.1 24.1 169 178 A K H X S+ 0 0 16 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.896 107.5 51.7 -63.9 -40.3 53.1 52.6 23.4 170 179 A Y H X S+ 0 0 97 -4,-1.5 4,-1.4 -5,-0.3 -1,-0.2 0.950 110.8 46.8 -61.7 -50.4 52.6 50.9 26.7 171 180 A L H X S+ 0 0 5 -4,-2.0 4,-0.7 1,-0.2 3,-0.2 0.898 111.6 52.1 -58.4 -42.2 48.9 50.5 26.2 172 181 A T H >X S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 4,-1.1 0.944 106.2 53.2 -59.8 -50.0 49.4 49.2 22.6 173 182 A D H 3X S+ 0 0 41 -4,-2.4 4,-2.7 1,-0.3 -1,-0.2 0.806 101.6 59.6 -57.4 -31.8 51.9 46.6 23.8 174 183 A Q H 3< S+ 0 0 11 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.743 104.6 52.8 -69.3 -22.5 49.4 45.3 26.4 175 184 A M H << S+ 0 0 4 -3,-1.7 -1,-0.2 -4,-0.7 -2,-0.2 0.777 121.1 26.5 -83.1 -31.5 47.0 44.6 23.4 176 185 A T H < S+ 0 0 2 -4,-1.1 210,-2.6 -3,-0.2 211,-0.5 0.779 138.5 20.9-100.8 -37.5 49.4 42.5 21.3 177 186 A R S < S- 0 0 28 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 -0.585 86.1-150.8-132.7 70.4 51.8 41.0 23.9 178 187 A P - 0 0 55 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.139 11.2-164.0 -48.5 127.1 49.9 41.2 27.2 179 188 A D - 0 0 118 3,-0.2 4,-0.1 4,-0.0 -5,-0.1 0.863 42.8-113.6 -78.2 -42.5 52.1 41.5 30.2 180 189 A G S S+ 0 0 70 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.196 94.1 106.9 119.4 -7.8 49.4 40.5 32.7 181 190 A S S S+ 0 0 62 1,-0.2 2,-0.3 2,-0.0 -7,-0.0 0.653 90.5 8.1 -72.5 -21.1 49.4 44.0 34.2 182 191 A M S S- 0 0 40 -8,-0.1 -2,-0.4 4,-0.0 -1,-0.2 -0.969 75.2-113.1-162.6 147.5 46.1 44.7 32.5 183 192 A T > - 0 0 82 -2,-0.3 4,-2.6 -3,-0.1 5,-0.2 -0.361 36.1-109.3 -75.5 161.1 43.3 43.1 30.5 184 193 A F H > S+ 0 0 18 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.929 119.7 53.3 -56.2 -47.4 42.6 43.9 26.8 185 194 A A H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 110.8 45.7 -55.2 -45.1 39.4 45.7 27.8 186 195 A E H > S+ 0 0 117 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.881 114.0 48.7 -67.9 -37.4 41.2 47.9 30.3 187 196 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.927 112.5 49.8 -67.2 -40.4 44.0 48.6 27.8 188 197 A K H X S+ 0 0 18 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.882 109.9 50.0 -64.5 -41.1 41.3 49.4 25.2 189 198 A E H X S+ 0 0 90 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.884 108.2 52.0 -66.5 -40.6 39.4 51.8 27.6 190 199 A A H X S+ 0 0 26 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.884 110.1 48.7 -64.5 -39.7 42.5 53.7 28.5 191 200 A L H X S+ 0 0 1 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.883 112.3 50.3 -66.7 -37.9 43.4 54.3 24.9 192 201 A Y H X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.873 103.3 57.0 -67.7 -38.7 39.8 55.4 24.3 193 202 A D H < S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.802 110.6 47.7 -61.3 -29.3 39.9 57.9 27.2 194 203 A Y H X S+ 0 0 34 -4,-1.1 4,-0.8 -5,-0.2 -2,-0.2 0.933 115.7 41.7 -76.0 -48.7 42.9 59.4 25.4 195 204 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-0.4 0.891 99.5 70.5 -68.4 -44.3 41.3 59.6 22.0 196 205 A I H X S+ 0 0 63 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.860 100.7 44.5 -41.8 -55.3 37.7 60.7 22.9 197 206 A P H > S+ 0 0 55 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.892 114.3 50.3 -60.6 -40.9 38.7 64.3 23.9 198 207 A I H X S+ 0 0 20 -4,-0.8 4,-2.4 -3,-0.4 -2,-0.2 0.906 109.9 49.9 -64.2 -43.8 41.0 64.7 20.8 199 208 A I H X S+ 0 0 4 -4,-2.7 4,-1.0 2,-0.2 5,-0.2 0.931 108.1 53.3 -62.5 -44.1 38.2 63.5 18.5 200 209 A E H >X S+ 0 0 108 -4,-2.4 4,-1.7 -5,-0.2 3,-1.0 0.939 110.0 48.7 -54.5 -50.1 35.7 66.0 20.0 201 210 A Q H 3X S+ 0 0 94 -4,-2.1 4,-2.7 1,-0.3 -1,-0.2 0.914 111.5 48.6 -56.9 -47.6 38.2 68.8 19.4 202 211 A R H 3< S+ 0 0 37 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.538 105.0 57.6 -75.3 -7.1 38.8 67.8 15.8 203 212 A R H << S+ 0 0 77 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.853 114.2 40.4 -83.6 -39.5 35.1 67.5 15.0 204 213 A Q H < S+ 0 0 167 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.916 132.5 21.9 -71.8 -45.4 34.7 71.1 16.0 205 214 A K S < S- 0 0 140 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.731 83.4-153.7-130.6 82.5 37.9 72.4 14.5 206 215 A P - 0 0 83 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.235 13.1-176.4 -59.8 139.2 39.2 70.1 11.6 207 216 A G - 0 0 41 2,-0.2 -48,-0.0 -5,-0.1 0, 0.0 -0.339 41.7 -99.3-114.6-162.0 42.9 70.1 10.8 208 217 A T S S+ 0 0 140 -2,-0.2 -49,-0.1 4,-0.1 2,-0.0 0.380 83.3 114.6-105.5 0.9 44.7 68.2 8.0 209 218 A D S > S- 0 0 25 -51,-0.1 4,-1.9 1,-0.1 3,-0.2 -0.273 81.8-107.2 -70.3 159.9 45.8 65.4 10.3 210 219 A A H > S+ 0 0 4 -53,-2.5 4,-2.3 1,-0.2 5,-0.2 0.848 118.8 54.2 -54.9 -39.1 44.6 61.8 9.9 211 220 A I H > S+ 0 0 3 -53,-0.5 4,-3.1 1,-0.2 -1,-0.2 0.923 107.2 49.0 -64.9 -43.7 42.5 62.0 13.0 212 221 A S H > S+ 0 0 2 -3,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.861 111.4 51.5 -62.6 -38.4 40.6 65.1 11.7 213 222 A I H < S+ 0 0 63 -4,-1.9 3,-0.2 2,-0.2 -1,-0.2 0.925 114.4 41.4 -65.2 -45.8 40.0 63.4 8.4 214 223 A V H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.952 111.9 55.2 -66.8 -48.2 38.6 60.3 10.1 215 224 A A H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.704 118.2 35.1 -59.4 -22.5 36.5 62.3 12.6 216 225 A N T 3< S+ 0 0 70 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.168 93.7 126.2-117.7 16.9 34.8 64.2 9.9 217 226 A G < - 0 0 9 -3,-2.0 7,-2.4 8,-0.1 2,-0.4 -0.238 55.9-124.9 -75.6 163.8 34.6 61.5 7.3 218 227 A Q E -H 223 0C 116 5,-0.2 2,-0.4 -117,-0.1 -1,-0.1 -0.925 22.4-172.1-112.2 133.5 31.5 60.3 5.5 219 228 A V E > S-H 222 0C 0 3,-2.6 3,-1.2 -2,-0.4 -117,-0.1 -0.988 70.2 -14.3-130.3 121.2 30.4 56.6 5.5 220 229 A N T 3 S- 0 0 118 -2,-0.4 -1,-0.1 1,-0.3 -118,-0.0 0.818 126.8 -54.2 59.6 36.8 27.6 55.3 3.4 221 230 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 -0.090 124.6 81.3 93.7 -36.1 26.3 58.8 2.6 222 231 A R E < S-H 219 0C 103 -3,-1.2 -3,-2.6 1,-0.1 -1,-0.3 -0.430 88.8 -84.2 -99.2 171.3 26.0 60.0 6.2 223 232 A P E -H 218 0C 80 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.484 43.9-107.5 -75.7 149.6 28.6 61.3 8.6 224 233 A I - 0 0 2 -7,-2.4 2,-0.2 -10,-0.2 -4,-0.0 -0.402 36.3-124.6 -71.5 148.7 30.8 59.1 10.7 225 234 A T > - 0 0 60 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.603 18.9-111.4 -93.5 163.4 29.8 59.0 14.4 226 235 A S H > S+ 0 0 51 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.884 119.4 51.6 -58.0 -42.1 32.2 59.8 17.3 227 236 A D H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.907 110.9 46.6 -61.9 -45.3 32.1 56.2 18.4 228 237 A E H > S+ 0 0 23 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.893 114.6 48.3 -63.8 -40.3 33.0 54.9 14.9 229 238 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 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