==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-MAY-02 1LWL . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR A.R.DUNN,A.M.HAYS,D.B.GOODIN,C.D.STOUT,R.CHIU,J.R.WINKLER, . 404 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 66.8 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 . 13 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 37.6 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 0 4 0 0 2 0 2 2 1 0 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 11 A L 0 0 140 0, 0.0 47,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 103.0 8.5 34.4 14.5 2 12 A A - 0 0 27 45,-3.0 49,-0.0 1,-0.1 46,-0.0 -0.228 360.0 -86.1 -64.3 150.9 9.5 32.4 11.5 3 13 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.304 49.9-107.1 -57.5 137.7 6.8 30.8 9.3 4 14 A L - 0 0 57 -3,-0.1 6,-0.1 1,-0.1 47,-0.0 -0.546 33.7-121.0 -72.8 120.6 5.8 27.4 10.6 5 15 A P > - 0 0 30 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.364 19.5-121.4 -61.9 138.4 7.1 24.6 8.4 6 16 A P T 3 S+ 0 0 131 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.803 110.2 57.1 -48.6 -37.7 4.4 22.4 6.9 7 17 A H T 3 S+ 0 0 48 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.598 88.5 88.5 -74.9 -10.5 5.8 19.3 8.5 8 18 A V S < S- 0 0 6 -3,-2.2 2,-0.3 292,-0.1 5,-0.1 -0.806 78.3-132.1 -93.8 118.4 5.5 20.7 12.0 9 19 A P > - 0 0 48 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.515 12.9-126.1 -73.9 132.5 2.2 20.1 13.7 10 20 A E G > S+ 0 0 125 1,-0.3 3,-1.5 -2,-0.3 35,-0.1 0.735 104.0 63.6 -43.8 -38.5 0.5 23.1 15.4 11 21 A H G 3 S+ 0 0 145 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.543 98.3 55.8 -71.6 -5.6 0.1 21.3 18.7 12 22 A L G < S+ 0 0 13 -3,-2.5 33,-3.0 32,-0.1 2,-0.5 0.398 81.3 117.7-103.0 1.2 3.8 21.1 19.2 13 23 A V B < +a 45 0A 27 -3,-1.5 2,-0.4 -4,-0.3 33,-0.2 -0.579 27.5 157.9 -77.8 121.0 4.3 24.8 18.8 14 24 A F - 0 0 65 31,-3.1 2,-2.0 -2,-0.5 30,-0.1 -0.920 33.5-144.4-141.9 108.5 5.8 26.6 21.8 15 25 A D + 0 0 61 -2,-0.4 2,-0.4 31,-0.2 31,-0.1 -0.440 32.2 167.5 -78.8 71.3 7.5 30.0 21.0 16 26 A F - 0 0 6 -2,-2.0 2,-0.8 32,-0.1 32,-0.2 -0.695 27.2-147.6 -85.5 131.5 10.3 29.9 23.5 17 27 A D > - 0 0 48 -2,-0.4 3,-1.2 3,-0.2 -2,-0.1 -0.855 8.8-168.4-103.9 101.9 13.0 32.5 23.0 18 28 A M T 3 S+ 0 0 1 -2,-0.8 -1,-0.1 1,-0.3 14,-0.0 0.627 88.9 48.7 -63.3 -14.8 16.3 31.0 24.1 19 29 A Y T 3 S+ 0 0 82 1,-0.2 364,-0.5 -3,-0.1 -1,-0.3 0.575 129.2 18.1-100.9 -12.6 18.0 34.4 23.9 20 30 A N S < S- 0 0 107 -3,-1.2 -3,-0.2 362,-0.1 -1,-0.2 -0.366 81.1-162.1-156.5 65.7 15.3 36.3 25.8 21 31 A P > - 0 0 3 0, 0.0 3,-1.7 0, 0.0 11,-0.1 -0.214 29.5-113.7 -54.2 139.2 13.1 33.9 27.8 22 32 A S T 3 S+ 0 0 121 1,-0.3 3,-0.2 9,-0.2 10,-0.1 0.780 110.7 32.0 -45.1 -44.2 9.8 35.3 29.0 23 33 A N T > S+ 0 0 92 1,-0.2 3,-1.9 8,-0.1 -1,-0.3 -0.142 72.6 137.1-113.5 41.8 10.5 35.3 32.7 24 34 A L G X + 0 0 30 -3,-1.7 3,-2.8 1,-0.3 357,-0.2 0.846 65.3 66.6 -52.6 -40.3 14.2 35.9 32.7 25 35 A S G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.745 96.7 56.9 -55.7 -24.6 13.9 38.4 35.6 26 36 A A G < S- 0 0 59 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.405 133.1 -67.0 -87.7 2.1 12.9 35.5 37.8 27 37 A G <> - 0 0 9 -3,-2.8 4,-1.8 -4,-0.2 -1,-0.3 -0.006 38.8-111.8 118.9 135.8 16.1 33.6 37.0 28 38 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.931 117.0 49.3 -65.7 -45.0 17.3 32.0 33.8 29 39 A Q H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.920 112.0 50.3 -59.0 -42.3 17.0 28.4 35.0 30 40 A E H > S+ 0 0 65 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.865 107.6 55.4 -62.4 -35.3 13.5 29.2 36.1 31 41 A A H >< S+ 0 0 2 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.893 111.3 41.7 -66.5 -40.3 12.8 30.7 32.7 32 42 A W H >< S+ 0 0 0 -4,-2.1 3,-2.8 1,-0.2 -2,-0.2 0.900 102.1 69.7 -73.7 -39.2 13.8 27.6 30.8 33 43 A A H >< S+ 0 0 22 -4,-2.5 3,-2.7 1,-0.3 -1,-0.2 0.676 78.8 78.4 -52.4 -20.6 12.1 25.2 33.3 34 44 A V G X< S+ 0 0 42 -4,-0.6 3,-1.3 -3,-0.6 -1,-0.3 0.767 82.6 67.6 -61.2 -22.0 8.7 26.5 32.0 35 45 A L G < S+ 0 0 0 -3,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.539 97.1 55.6 -73.1 -6.0 9.4 24.1 29.1 36 46 A Q G < S+ 0 0 22 -3,-2.7 -1,-0.2 -4,-0.1 -2,-0.2 0.281 74.3 126.1-111.2 10.9 9.0 21.4 31.7 37 47 A E S X S- 0 0 106 -3,-1.3 3,-2.1 1,-0.1 -3,-0.0 -0.430 77.1-103.2 -69.8 144.8 5.5 22.2 33.0 38 48 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.660 118.2 56.0 -40.7 -30.1 3.0 19.3 32.8 39 49 A N T 3 S+ 0 0 126 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.118 88.2 93.9 -96.3 23.2 1.2 20.6 29.8 40 50 A V S < S- 0 0 9 -3,-2.1 -28,-0.1 -4,-0.0 4,-0.1 -0.961 76.0-119.3-118.7 127.8 4.3 20.9 27.6 41 51 A P - 0 0 47 0, 0.0 3,-0.2 0, 0.0 15,-0.1 -0.067 22.4-115.2 -57.4 162.5 5.3 18.1 25.2 42 52 A D S S+ 0 0 48 1,-0.3 14,-3.1 256,-0.1 15,-0.7 0.773 108.6 31.1 -68.8 -27.0 8.7 16.3 25.5 43 53 A L E S+ B 0 55A 5 12,-0.2 -1,-0.3 13,-0.1 2,-0.2 -0.959 77.4 170.0-138.9 116.1 9.6 17.8 22.1 44 54 A V E - B 0 54A 1 10,-1.9 10,-1.9 -2,-0.4 2,-0.4 -0.726 26.6-129.2-121.5 171.2 8.3 21.2 20.9 45 55 A W E -aB 13 53A 11 -33,-3.0 -31,-3.1 -2,-0.2 2,-0.4 -0.980 16.4-161.3-122.7 132.2 8.9 23.6 18.0 46 56 A T E - B 0 52A 0 6,-2.6 6,-2.1 -2,-0.4 -31,-0.2 -0.944 13.7-155.1-114.5 137.4 9.6 27.3 18.5 47 57 A R > + 0 0 71 -2,-0.4 -45,-3.0 4,-0.2 3,-0.6 0.515 65.9 105.5 -85.5 -4.9 9.2 29.8 15.7 48 58 A C G > S+ 0 0 12 -32,-0.2 3,-2.8 -47,-0.2 -2,-0.1 -0.251 78.0 15.9 -71.3 163.5 11.6 32.1 17.4 49 59 A N G 3 S- 0 0 52 1,-0.3 31,-0.3 2,-0.1 -1,-0.2 0.785 142.5 -42.7 40.8 46.4 15.2 32.6 16.2 50 60 A G G < S- 0 0 62 -3,-0.6 -1,-0.3 29,-0.1 -2,-0.2 0.137 103.8 -80.7 93.6 -21.2 14.6 31.1 12.8 51 61 A G < + 0 0 3 -3,-2.8 256,-0.3 1,-0.1 2,-0.3 0.454 62.4 159.7 94.3 126.2 12.5 28.2 14.1 52 62 A H E -B 46 0A 0 -6,-2.1 -6,-2.6 254,-0.1 256,-0.2 -0.980 37.5 -95.6-170.6 160.9 13.8 25.0 15.6 53 63 A W E -Bc 45 308A 0 254,-2.7 256,-2.9 -2,-0.3 2,-0.3 -0.352 28.6-158.0 -79.3 167.1 12.9 22.0 17.8 54 64 A I E -Bc 44 309A 0 -10,-1.9 -10,-1.9 254,-0.2 2,-0.5 -0.909 10.3-146.4-149.1 114.9 13.6 21.8 21.5 55 65 A A E -B 43 0A 0 254,-2.4 -12,-0.2 -2,-0.3 259,-0.1 -0.733 17.1-173.2 -80.3 131.0 13.9 18.6 23.5 56 66 A T + 0 0 0 -14,-3.1 2,-0.4 -2,-0.5 -13,-0.1 0.523 54.8 66.9-105.0 -8.6 12.5 19.5 26.9 57 67 A R S > S- 0 0 11 -15,-0.7 4,-2.4 1,-0.1 3,-0.3 -0.913 78.9-122.7-121.0 145.9 13.2 16.3 28.9 58 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.9 257,-0.3 5,-0.3 0.845 109.4 57.8 -47.4 -42.4 16.4 14.6 30.1 59 69 A Q H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.945 111.7 38.1 -57.5 -53.4 15.5 11.4 28.3 60 70 A L H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.888 115.9 54.0 -66.2 -38.9 15.2 12.9 24.8 61 71 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.950 111.7 43.7 -60.0 -51.1 18.1 15.2 25.3 62 72 A R H X S+ 0 0 60 -4,-2.9 4,-1.1 -5,-0.2 -2,-0.2 0.932 114.1 51.9 -61.0 -45.3 20.4 12.3 26.3 63 73 A E H >X S+ 0 0 66 -4,-2.4 4,-1.7 -5,-0.3 3,-0.5 0.917 109.4 47.7 -59.1 -46.0 19.1 10.2 23.5 64 74 A A H 3< S+ 0 0 0 -4,-2.8 7,-0.3 1,-0.2 -1,-0.2 0.895 109.1 53.2 -63.5 -40.7 19.7 12.8 20.8 65 75 A Y H 3< S+ 0 0 5 -4,-2.0 279,-0.5 1,-0.2 280,-0.3 0.729 110.6 49.9 -67.2 -19.7 23.2 13.6 22.0 66 76 A E H << S+ 0 0 111 -4,-1.1 2,-1.6 -3,-0.5 -1,-0.2 0.806 99.0 67.6 -84.7 -35.3 23.9 9.8 21.7 67 77 A D >X + 0 0 36 -4,-1.7 4,-2.3 1,-0.2 3,-0.7 -0.560 55.5 160.2 -88.8 74.3 22.6 9.5 18.2 68 78 A Y T 34 + 0 0 59 -2,-1.6 -1,-0.2 1,-0.2 5,-0.1 0.719 65.9 70.5 -68.0 -19.9 25.2 11.5 16.3 69 79 A R T 34 S+ 0 0 178 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.876 114.1 23.7 -65.2 -38.3 24.2 9.8 13.1 70 80 A H T <4 S+ 0 0 49 -3,-0.7 222,-2.2 1,-0.2 2,-0.8 0.771 125.7 53.2 -94.8 -33.1 20.8 11.6 12.9 71 81 A F E < S-D 291 0A 0 -4,-2.3 -1,-0.2 -7,-0.3 220,-0.2 -0.820 78.6-169.2-110.7 91.8 21.8 14.6 15.1 72 82 A S E -D 290 0A 6 218,-2.4 218,-1.9 -2,-0.8 3,-0.4 -0.457 28.3-145.6 -83.6 151.6 25.0 16.2 13.6 73 83 A S S S+ 0 0 1 216,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.343 75.3 106.0 -93.0 2.2 27.2 18.8 15.2 74 84 A E S S+ 0 0 120 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.902 98.2 19.2 -46.8 -47.4 27.9 20.3 11.7 75 85 A C S S+ 0 0 4 -3,-0.4 -1,-0.3 1,-0.1 9,-0.2 -0.769 79.3 161.7-128.3 82.3 25.6 23.2 12.6 76 86 A P + 0 0 2 0, 0.0 212,-2.8 0, 0.0 2,-0.3 0.517 49.1 71.6 -80.6 -10.7 25.4 23.1 16.5 77 87 A F S S- 0 0 26 210,-0.2 6,-0.5 3,-0.2 7,-0.1 -0.789 75.3-106.9-116.3 158.0 24.2 26.6 17.2 78 88 A I S S+ 0 0 7 -2,-0.3 2,-0.2 4,-0.1 307,-0.1 -0.965 94.9 52.8-117.0 134.1 21.0 28.7 16.9 79 89 A P S >> S- 0 0 43 0, 0.0 4,-2.0 0, 0.0 3,-1.2 0.499 88.9-129.2 -70.6 162.2 20.6 30.9 14.8 80 90 A R H 3> S+ 0 0 91 -31,-0.3 4,-3.0 1,-0.3 5,-0.2 0.836 105.2 57.8 -48.1 -44.6 21.4 28.8 11.8 81 91 A E H 3> S+ 0 0 136 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.840 107.9 47.1 -59.5 -35.4 23.9 31.4 10.4 82 92 A A H <> S+ 0 0 13 -3,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.933 114.7 46.5 -71.2 -45.5 25.9 31.2 13.6 83 93 A G H < S+ 0 0 0 -4,-2.0 -2,-0.2 -6,-0.5 -1,-0.2 0.865 111.9 50.8 -64.3 -37.3 25.9 27.5 13.6 84 94 A E H < S+ 0 0 122 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.903 113.4 43.9 -68.4 -40.8 26.8 27.3 9.9 85 95 A A H < S+ 0 0 34 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.2 0.747 90.9 101.3 -75.3 -25.2 29.8 29.7 10.2 86 96 A Y < + 0 0 18 -4,-1.7 -9,-0.1 1,-0.1 98,-0.0 -0.449 38.6 162.0 -65.8 121.6 31.0 28.0 13.4 87 97 A D + 0 0 41 -2,-0.3 -1,-0.1 -12,-0.1 5,-0.1 0.135 15.4 143.4-131.0 24.0 33.9 25.7 12.6 88 98 A F > - 0 0 2 3,-0.1 4,-1.4 145,-0.1 143,-0.2 -0.210 52.1 -89.5 -61.8 156.0 35.7 25.0 15.9 89 99 A I T 4 S- 0 0 0 141,-2.3 145,-0.3 1,-0.2 146,-0.2 -0.970 97.0 -3.0-121.6 136.8 37.2 21.5 16.4 90 100 A P T >4 S+ 0 0 8 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.967 120.5 70.0 -97.4 15.1 35.9 19.2 17.5 91 101 A T T 34 S+ 0 0 33 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.601 105.2 43.3 -62.5 -15.8 32.6 20.8 18.5 92 102 A S T 3< S+ 0 0 13 -4,-1.4 2,-0.4 -5,-0.1 -1,-0.3 0.104 102.9 88.6-115.4 21.1 31.4 21.2 14.8 93 103 A M < - 0 0 13 -3,-1.9 -6,-0.0 5,-0.1 -5,-0.0 -0.936 63.6-146.9-123.5 139.9 32.6 17.7 13.9 94 104 A D > - 0 0 40 -2,-0.4 4,-1.7 1,-0.1 3,-0.5 -0.711 37.3 -79.2-100.6 154.0 30.8 14.3 14.1 95 105 A P T 4 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.364 103.8 50.2 -74.0 170.6 32.5 11.1 14.8 96 106 A P T >4 S+ 0 0 84 0, 0.0 3,-0.8 0, 0.0 4,-0.5 -0.990 127.3 39.1 -72.9 -16.4 34.2 8.9 13.6 97 107 A E T >> S+ 0 0 94 -3,-0.5 3,-0.8 1,-0.2 4,-0.7 0.938 112.8 56.7 -58.6 -47.6 36.3 11.8 12.4 98 108 A Q H 3X S+ 0 0 2 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.708 87.8 84.2 -56.4 -23.1 35.9 13.7 15.6 99 109 A R H <> S+ 0 0 142 -3,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.911 94.5 36.1 -49.6 -55.3 37.3 10.8 17.6 100 110 A Q H <> S+ 0 0 82 -3,-0.8 4,-2.0 -4,-0.5 -1,-0.2 0.791 113.5 55.3 -75.3 -28.1 41.0 11.5 17.2 101 111 A F H X S+ 0 0 0 -4,-0.7 4,-3.1 2,-0.2 5,-0.2 0.906 109.4 50.1 -67.7 -39.3 40.8 15.3 17.3 102 112 A R H X S+ 0 0 55 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.899 109.5 51.5 -63.3 -40.0 39.1 14.8 20.7 103 113 A A H X S+ 0 0 54 -4,-1.5 4,-0.9 -5,-0.2 -1,-0.2 0.865 112.2 45.2 -66.4 -35.9 41.9 12.5 21.7 104 114 A L H >X S+ 0 0 4 -4,-2.0 3,-0.8 2,-0.2 4,-0.7 0.932 112.9 49.8 -72.9 -43.8 44.5 15.2 20.7 105 115 A A H >X S+ 0 0 1 -4,-3.1 4,-0.9 1,-0.2 3,-0.7 0.845 105.3 60.5 -60.9 -32.7 42.5 17.9 22.5 106 116 A N H 3X S+ 0 0 63 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.793 92.2 65.1 -66.7 -30.1 42.4 15.6 25.5 107 117 A Q H << S+ 0 0 114 -4,-0.9 -1,-0.2 -3,-0.8 6,-0.2 0.835 109.1 39.2 -61.8 -32.1 46.1 15.5 25.8 108 118 A V H << S+ 0 0 4 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.595 132.3 19.6 -97.2 -12.3 46.2 19.2 26.6 109 119 A V H < S+ 0 0 16 -4,-0.9 243,-0.4 -3,-0.2 -2,-0.2 0.389 98.2 106.1-134.5 -1.4 43.1 19.7 28.9 110 120 A G S >X S- 0 0 0 -4,-2.3 4,-1.3 -5,-0.2 3,-0.5 -0.067 91.6 -73.8 -75.0 179.5 42.4 16.2 30.1 111 121 A M H 3> S+ 0 0 97 1,-0.2 4,-1.2 2,-0.2 3,-0.1 0.795 124.9 63.1 -40.3 -45.0 42.9 14.7 33.6 112 122 A P H 3> S+ 0 0 90 0, 0.0 4,-0.9 0, 0.0 3,-0.5 0.956 104.4 44.6 -48.1 -62.1 46.7 14.4 33.1 113 123 A V H <> S+ 0 0 20 -3,-0.5 4,-1.0 -6,-0.2 3,-0.3 0.816 102.8 69.8 -52.9 -37.8 47.3 18.2 32.8 114 124 A V H >X S+ 0 0 6 -4,-1.3 4,-1.5 1,-0.2 3,-1.5 0.909 94.3 50.0 -50.9 -55.9 45.0 18.9 35.7 115 125 A D H 3< S+ 0 0 113 -4,-1.2 4,-0.4 -3,-0.5 -1,-0.2 0.862 110.7 52.1 -54.8 -36.4 47.1 17.6 38.6 116 126 A K H 3< S+ 0 0 140 -4,-0.9 -1,-0.3 -3,-0.3 4,-0.2 0.708 110.4 50.1 -72.9 -19.1 50.1 19.5 37.2 117 127 A L H XX S+ 0 0 7 -3,-1.5 4,-2.6 -4,-1.0 3,-1.0 0.689 82.0 92.8 -91.6 -23.4 47.9 22.7 37.2 118 128 A E H 3X S+ 0 0 49 -4,-1.5 4,-3.8 1,-0.3 5,-0.3 0.861 85.0 50.0 -36.7 -60.0 46.6 22.5 40.8 119 129 A N H 3> S+ 0 0 103 -4,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.852 113.8 45.7 -54.3 -38.2 49.3 24.7 42.3 120 130 A R H <> S+ 0 0 108 -3,-1.0 4,-2.5 -4,-0.2 -1,-0.2 0.896 115.9 46.1 -72.5 -38.6 48.8 27.4 39.7 121 131 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.961 115.2 46.7 -65.1 -51.7 45.0 27.2 40.1 122 132 A Q H X S+ 0 0 63 -4,-3.8 4,-2.2 -5,-0.2 5,-0.2 0.941 114.6 47.8 -53.3 -52.7 45.3 27.2 43.9 123 133 A E H X S+ 0 0 104 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.890 111.6 49.5 -58.0 -43.9 47.8 30.1 43.8 124 134 A L H X S+ 0 0 20 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.923 110.7 49.2 -63.8 -46.8 45.7 32.2 41.3 125 135 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.947 114.1 44.9 -58.8 -51.7 42.5 31.8 43.3 126 136 A C H X S+ 0 0 18 -4,-2.2 4,-3.6 -5,-0.2 5,-0.3 0.946 112.6 51.9 -58.1 -50.6 44.1 32.8 46.6 127 137 A S H X S+ 0 0 62 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.918 113.9 43.7 -52.9 -48.0 45.9 35.7 45.0 128 138 A L H X S+ 0 0 9 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.918 116.3 47.2 -65.3 -43.2 42.7 37.0 43.5 129 139 A I H >X S+ 0 0 0 -4,-3.0 4,-2.9 -5,-0.2 3,-0.6 0.894 108.5 54.2 -66.9 -40.1 40.8 36.5 46.7 130 140 A E H 3< S+ 0 0 63 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.846 103.7 56.2 -64.4 -32.9 43.4 38.1 49.0 131 141 A S H 3< S+ 0 0 63 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.775 116.6 36.2 -70.4 -24.4 43.3 41.3 46.9 132 142 A L H XX S+ 0 0 9 -4,-0.8 3,-2.7 -3,-0.6 4,-0.6 0.865 96.2 81.4 -93.1 -43.6 39.6 41.6 47.4 133 143 A R G >< S+ 0 0 40 -4,-2.9 3,-1.0 1,-0.3 -2,-0.1 0.761 94.0 45.8 -30.9 -56.3 39.2 40.4 51.0 134 144 A P G 34 S+ 0 0 70 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.673 100.3 70.8 -69.3 -16.9 40.2 43.6 52.8 135 145 A Q G <4 S- 0 0 116 -3,-2.7 -2,-0.2 2,-0.1 -3,-0.1 0.718 91.6-139.9 -72.7 -23.2 38.0 45.8 50.5 136 146 A G S << S+ 0 0 10 -3,-1.0 260,-2.4 -4,-0.6 2,-0.3 0.517 73.4 39.7 76.4 3.0 34.7 44.5 52.0 137 147 A Q E +F 395 0B 115 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.982 55.1 160.5-169.2 168.7 33.1 44.4 48.5 138 148 A C E -F 394 0B 12 256,-1.9 256,-3.7 -2,-0.3 2,-0.9 -0.939 47.1-104.1 177.4 165.7 33.5 43.5 44.8 139 149 A N E >> -F 393 0B 41 -2,-0.3 4,-3.2 254,-0.2 3,-1.0 -0.860 38.1-159.9-104.9 89.0 31.7 42.7 41.6 140 150 A F H 3>>S+ 0 0 0 252,-1.8 5,-2.3 -2,-0.9 4,-2.1 0.824 86.4 52.4 -37.7 -49.3 32.5 38.9 41.8 141 151 A T H 34>S+ 0 0 5 3,-0.2 5,-1.7 2,-0.2 -1,-0.3 0.902 119.8 33.9 -58.6 -43.5 31.8 38.4 38.1 142 152 A E H <45S+ 0 0 107 -3,-1.0 -2,-0.2 3,-0.2 -1,-0.2 0.916 124.5 40.7 -78.1 -47.7 34.2 41.3 37.1 143 153 A D H <5S+ 0 0 61 -4,-3.2 -3,-0.2 3,-0.1 -2,-0.2 0.592 134.9 2.5 -82.6 -13.1 36.8 40.9 39.9 144 154 A Y T X5S+ 0 0 0 -4,-2.1 4,-1.3 -5,-0.4 -3,-0.2 0.584 122.5 52.8-137.6 -52.8 37.2 37.2 40.1 145 155 A A T 4 S+ 0 0 20 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.606 104.6 72.0 -73.5 -11.2 40.2 36.9 35.2 148 158 A F H X S+ 0 0 0 -4,-1.3 4,-1.5 2,-0.2 -2,-0.1 0.991 100.5 37.4 -69.5 -60.1 40.4 33.5 36.8 149 159 A P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.876 114.9 52.8 -60.1 -44.7 39.8 31.2 33.7 150 160 A I H X S+ 0 0 9 -4,-0.9 4,-2.5 1,-0.2 5,-0.2 0.919 108.7 50.9 -58.3 -46.2 41.8 33.3 31.2 151 161 A R H X S+ 0 0 90 -4,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.858 110.6 49.5 -60.6 -36.4 44.8 33.3 33.4 152 162 A I H X S+ 0 0 1 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.942 111.0 49.7 -68.2 -45.8 44.6 29.6 33.7 153 163 A F H X S+ 0 0 18 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.875 105.8 56.4 -60.2 -40.1 44.3 29.2 30.0 154 164 A M H X>S+ 0 0 3 -4,-2.5 5,-2.9 1,-0.2 4,-0.6 0.912 109.6 45.2 -58.6 -44.4 47.3 31.4 29.3 155 165 A L H <5S+ 0 0 63 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.863 114.0 51.6 -66.1 -36.3 49.5 29.2 31.5 156 166 A L H <5S+ 0 0 20 -4,-1.9 53,-2.2 1,-0.2 -2,-0.2 0.932 117.9 35.1 -66.3 -48.8 48.1 26.2 29.8 157 167 A A H <5S- 0 0 1 -4,-3.2 53,-0.3 51,-0.2 -1,-0.2 0.411 110.5-121.3 -87.3 1.2 48.7 27.4 26.3 158 168 A G T <5 + 0 0 39 -4,-0.6 -3,-0.2 -5,-0.2 -4,-0.1 0.924 57.6 154.9 59.4 46.4 52.0 29.1 27.4 159 169 A L < - 0 0 14 -5,-2.9 2,-0.2 -6,-0.2 -1,-0.2 -0.736 50.9 -92.9-104.5 155.4 50.9 32.5 26.2 160 170 A P > - 0 0 55 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.472 22.9-137.8 -68.5 129.6 52.2 35.9 27.6 161 171 A E G > S+ 0 0 142 1,-0.3 3,-1.4 -2,-0.2 -7,-0.0 0.751 101.9 73.6 -58.2 -20.6 50.0 37.3 30.4 162 172 A E G 3 S+ 0 0 132 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.833 90.8 56.3 -61.8 -31.3 50.5 40.6 28.6 163 173 A D G <> S+ 0 0 47 -3,-2.2 4,-3.2 1,-0.2 5,-0.3 0.539 78.5 97.7 -79.6 -5.7 48.1 39.4 26.0 164 174 A I H <> S+ 0 0 24 -3,-1.4 4,-3.1 -4,-0.3 5,-0.3 0.918 83.4 45.5 -50.4 -54.6 45.3 38.7 28.4 165 175 A P H > S+ 0 0 93 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.886 115.7 48.1 -60.2 -35.0 43.4 42.0 27.9 166 176 A H H > S+ 0 0 91 -4,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.953 114.3 45.0 -68.1 -48.5 43.7 41.7 24.1 167 177 A L H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.890 112.0 53.0 -61.3 -39.5 42.6 38.0 24.1 168 178 A K H X S+ 0 0 31 -4,-3.1 4,-2.3 -5,-0.3 -1,-0.2 0.873 108.1 51.0 -63.3 -37.5 39.7 38.9 26.5 169 179 A Y H X S+ 0 0 147 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.872 112.3 47.8 -66.6 -37.2 38.7 41.7 24.0 170 180 A L H < S+ 0 0 7 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.945 116.0 40.1 -70.6 -49.6 38.7 39.2 21.2 171 181 A T H >X S+ 0 0 3 -4,-2.9 4,-2.7 1,-0.2 3,-1.3 0.912 112.2 58.7 -67.0 -40.7 36.7 36.4 22.9 172 182 A D H 3X S+ 0 0 35 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.878 102.5 51.0 -55.7 -44.4 34.4 38.9 24.5 173 183 A Q H 3< S+ 0 0 37 -4,-1.5 -1,-0.3 1,-0.2 5,-0.2 0.608 114.8 45.8 -73.9 -7.6 33.2 40.4 21.2 174 184 A M H <4 S+ 0 0 13 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.855 121.8 31.3 -96.2 -47.2 32.5 36.9 19.9 175 185 A T H < S+ 0 0 53 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.613 125.1 43.7 -88.1 -15.7 30.6 35.4 22.9 176 186 A R S < S- 0 0 99 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.1 -0.526 83.4-170.6-127.0 62.1 29.0 38.6 24.1 177 187 A P - 0 0 89 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.245 19.0-172.6 -58.5 138.6 27.8 40.1 20.8 178 188 A D - 0 0 127 -5,-0.2 -5,-0.0 3,-0.1 0, 0.0 0.363 57.0 -98.1-110.2 -0.9 26.5 43.7 21.0 179 189 A G S S+ 0 0 71 2,-0.3 3,-0.0 3,-0.0 0, 0.0 0.315 101.2 102.6 102.1 -6.8 25.3 43.6 17.4 180 190 A S S S+ 0 0 81 1,-0.1 2,-0.4 -7,-0.1 -7,-0.0 0.785 82.4 39.7 -78.8 -29.1 28.3 45.4 15.8 181 191 A M S S- 0 0 54 -8,-0.2 -2,-0.3 4,-0.0 -1,-0.1 -0.943 77.8-126.1-125.2 146.0 29.9 42.2 14.4 182 192 A T > - 0 0 66 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.420 37.5-107.6 -77.4 161.8 28.6 39.1 12.8 183 193 A F H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.931 120.6 54.7 -56.3 -44.9 29.7 35.8 14.4 184 194 A A H > S+ 0 0 39 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.910 106.2 49.8 -54.7 -49.0 31.9 35.2 11.4 185 195 A E H > S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 110.3 50.1 -58.5 -45.4 33.8 38.5 11.7 186 196 A A H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.925 110.4 51.6 -59.0 -43.8 34.4 38.0 15.5 187 197 A K H X S+ 0 0 9 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.923 108.3 50.4 -59.3 -47.2 35.8 34.5 14.7 188 198 A E H X S+ 0 0 87 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.924 109.0 51.1 -59.4 -46.1 38.2 35.8 12.0 189 199 A A H X S+ 0 0 21 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.938 112.3 47.1 -57.0 -47.1 39.5 38.5 14.4 190 200 A L H >X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 3,-1.4 0.958 113.1 48.6 -59.0 -49.7 40.1 35.8 17.0 191 201 A Y H 3X S+ 0 0 1 -4,-3.3 4,-3.3 1,-0.3 -2,-0.2 0.879 100.8 65.3 -57.4 -39.2 41.7 33.6 14.4 192 202 A D H 3< S+ 0 0 104 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.781 104.1 47.5 -54.8 -28.2 43.9 36.5 13.3 193 203 A Y H S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.868 112.4 55.6 -62.4 -36.9 50.7 33.5 13.6 197 207 A I H X S+ 0 0 16 -4,-0.7 4,-2.5 -3,-0.2 -2,-0.2 0.897 109.5 47.0 -62.9 -39.3 51.2 31.9 17.0 198 208 A I H X S+ 0 0 2 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.866 108.6 54.6 -69.6 -37.0 50.5 28.5 15.5 199 209 A E H X S+ 0 0 135 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.940 112.7 44.3 -60.3 -46.3 52.9 29.2 12.6 200 210 A Q H X S+ 0 0 106 -4,-2.4 4,-3.1 1,-0.2 3,-0.3 0.922 112.6 49.8 -63.6 -48.5 55.6 29.9 15.1 201 211 A R H < S+ 0 0 34 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.722 107.9 55.7 -65.5 -23.4 54.8 26.9 17.4 202 212 A R H < S+ 0 0 84 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.836 115.0 37.0 -78.5 -34.3 54.9 24.6 14.3 203 213 A Q H < S+ 0 0 145 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.1 0.907 136.8 20.4 -81.7 -45.7 58.4 25.7 13.3 204 214 A K S < S- 0 0 157 -4,-3.1 -1,-0.3 -5,-0.2 2,-0.2 -0.750 85.9-166.6-125.7 83.0 59.7 26.0 16.9 205 215 A P - 0 0 72 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.463 5.5-173.0 -74.5 139.0 57.4 23.9 19.2 206 216 A G - 0 0 45 -2,-0.2 -48,-0.0 2,-0.1 0, 0.0 0.001 42.7 -91.6-104.4-147.5 57.5 24.2 23.0 207 217 A T S S+ 0 0 135 -2,-0.1 -49,-0.1 4,-0.1 2,-0.0 0.236 84.7 115.2-116.8 10.3 55.7 22.2 25.6 208 218 A D S > S- 0 0 25 -51,-0.2 4,-1.9 -50,-0.1 3,-0.3 -0.282 83.4-102.4 -75.3 165.3 52.6 24.4 25.8 209 219 A A H > S+ 0 0 10 -53,-2.2 4,-2.4 1,-0.2 -52,-0.2 0.855 120.9 54.2 -57.5 -37.5 49.1 23.2 24.8 210 220 A I H > S+ 0 0 3 -53,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.881 106.6 49.6 -66.7 -39.9 49.4 25.2 21.5 211 221 A S H > S+ 0 0 2 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.899 112.5 49.4 -65.9 -38.7 52.7 23.5 20.5 212 222 A I H < S+ 0 0 58 -4,-1.9 3,-0.3 2,-0.2 -2,-0.2 0.926 113.8 43.7 -66.2 -46.7 51.2 20.1 21.2 213 223 A V H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.959 113.0 51.5 -63.7 -50.6 48.0 20.7 19.2 214 224 A A H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.676 116.6 39.3 -62.3 -21.7 49.7 22.3 16.2 215 225 A N T 3< S+ 0 0 68 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.215 93.1 123.7-113.0 14.1 52.2 19.4 15.8 216 226 A G < - 0 0 10 -3,-1.6 7,-2.7 -4,-0.2 2,-0.5 -0.253 58.5-125.0 -77.2 162.3 49.8 16.6 16.6 217 227 A Q E -H 222 0C 114 5,-0.2 2,-0.4 -117,-0.1 3,-0.1 -0.916 28.7-178.2-107.6 128.3 49.0 13.5 14.5 218 228 A V E > -H 221 0C 0 3,-3.0 3,-1.4 -2,-0.5 -117,-0.1 -0.991 62.3 -11.4-131.8 137.3 45.3 12.9 13.7 219 229 A N T 3 S- 0 0 60 -2,-0.4 -1,-0.1 1,-0.3 -122,-0.0 0.857 130.9 -46.5 44.1 48.0 43.7 10.0 11.8 220 230 A G T 3 S+ 0 0 77 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.634 125.1 67.1 76.1 15.8 47.1 8.8 10.5 221 231 A R E < S-H 218 0C 84 -3,-1.4 -3,-3.0 0, 0.0 -1,-0.1 -0.992 89.3 -74.4-161.5 160.0 48.5 12.1 9.4 222 232 A P E -H 217 0C 81 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.306 51.1-112.5 -59.9 135.1 49.9 15.5 10.5 223 233 A I - 0 0 2 -7,-2.7 2,-0.1 -10,-0.2 -4,-0.0 -0.426 34.6-120.1 -67.6 140.6 47.3 18.0 11.7 224 234 A T > - 0 0 57 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.426 17.2-115.1 -80.3 159.8 47.0 21.0 9.3 225 235 A S H > S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.907 118.2 54.5 -59.0 -41.5 47.6 24.6 10.5 226 236 A D H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.867 110.3 45.0 -59.7 -40.8 44.0 25.4 9.7 227 237 A 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