==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-NOV-03 1RE9 . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR A.-M.A.HAYS,A.R.DUNN,H.B.GRAY,C.D.STOUT,D.B.GOODIN . 404 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 65.3 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 . 11 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 37.1 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 1 1 1 2 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 1 A L 0 0 136 0, 0.0 47,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 113.2 8.2 34.3 14.0 2 2 A A - 0 0 26 45,-2.9 49,-0.0 1,-0.1 2,-0.0 -0.401 360.0 -85.0 -71.9 151.3 9.3 32.3 10.9 3 3 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.328 49.9-110.4 -59.9 132.6 6.6 30.6 8.8 4 4 A L - 0 0 53 1,-0.1 6,-0.1 -3,-0.1 43,-0.0 -0.447 31.9-120.4 -67.4 124.7 5.6 27.3 10.2 5 5 A P > - 0 0 32 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.406 19.2-122.0 -63.5 140.0 6.8 24.5 8.0 6 6 A P T 3 S+ 0 0 138 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.701 108.7 61.8 -61.3 -16.6 4.0 22.3 6.7 7 7 A H T 3 S+ 0 0 53 2,-0.1 294,-0.2 296,-0.0 -3,-0.0 0.618 88.0 86.1 -81.5 -9.2 5.5 19.1 8.2 8 8 A V S < S- 0 0 7 -3,-2.1 2,-0.2 292,-0.1 5,-0.1 -0.749 79.9-131.9 -92.5 121.5 5.3 20.6 11.7 9 9 A P > - 0 0 47 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.503 12.3-128.6 -73.5 143.5 1.9 20.0 13.4 10 10 A E G > S+ 0 0 124 1,-0.3 3,-1.8 2,-0.2 35,-0.1 0.808 104.5 66.5 -58.9 -30.9 0.3 23.1 15.1 11 11 A H G 3 S+ 0 0 142 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.673 99.1 53.2 -71.1 -12.2 -0.2 21.2 18.4 12 12 A L G < S+ 0 0 11 -3,-1.8 33,-2.8 28,-0.1 2,-0.4 0.383 81.6 116.4 -96.6 1.0 3.6 21.1 18.8 13 13 A V B < +a 45 0A 24 -3,-1.8 2,-0.3 -4,-0.2 33,-0.2 -0.572 27.3 158.1 -77.6 128.1 4.2 24.8 18.4 14 14 A F - 0 0 63 31,-2.9 2,-2.3 -2,-0.4 30,-0.1 -0.866 33.4-143.8-146.5 106.8 5.6 26.7 21.4 15 15 A D + 0 0 60 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.348 32.5 165.4 -86.7 68.6 7.3 29.9 20.5 16 16 A F - 0 0 7 -2,-2.3 2,-0.7 32,-0.1 32,-0.3 -0.660 27.0-148.5 -77.4 133.1 10.2 30.0 23.0 17 17 A D > - 0 0 49 -2,-0.4 3,-1.3 3,-0.1 -2,-0.0 -0.894 5.6-164.6-107.2 105.8 12.9 32.5 22.3 18 18 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.643 89.5 48.6 -66.7 -17.6 16.3 31.2 23.5 19 19 A Y T 3 S+ 0 0 84 1,-0.2 364,-0.5 365,-0.1 -1,-0.3 0.523 131.3 14.6 -96.8 -10.4 17.9 34.6 23.3 20 20 A N S < S- 0 0 108 -3,-1.3 -1,-0.2 362,-0.1 -2,-0.2 -0.311 79.3-175.3-160.3 65.2 15.1 36.4 25.2 21 21 A P > - 0 0 2 0, 0.0 3,-1.2 0, 0.0 11,-0.1 -0.287 33.1-105.3 -71.5 150.2 12.8 34.1 27.0 22 22 A S T 3 S+ 0 0 99 1,-0.3 -2,-0.0 9,-0.1 -5,-0.0 -0.362 106.2 29.7 -71.4 155.6 9.8 35.5 28.7 23 23 A N T > S+ 0 0 112 1,-0.1 3,-2.2 -3,-0.1 4,-0.3 0.720 71.5 144.5 68.5 20.1 10.0 35.6 32.5 24 24 A L G X + 0 0 37 -3,-1.2 3,-2.0 1,-0.3 357,-0.3 0.801 64.6 70.3 -56.4 -31.1 13.8 36.0 32.2 25 25 A S G 3 S+ 0 0 123 1,-0.3 -1,-0.3 355,-0.1 3,-0.1 0.734 89.9 60.1 -60.5 -20.0 13.3 38.3 35.3 26 26 A A G < S- 0 0 57 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.609 130.3 -76.4 -81.3 -7.9 12.5 35.2 37.3 27 27 A G <> - 0 0 7 -3,-2.0 4,-2.2 -4,-0.3 -1,-0.3 -0.277 39.6-101.9 111.8 149.0 15.9 33.7 36.5 28 28 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.957 120.6 48.6 -82.4 -44.4 17.2 32.2 33.3 29 29 A Q H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 114.1 49.8 -57.9 -40.9 16.9 28.5 34.4 30 30 A E H 4 S+ 0 0 70 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.885 108.6 52.2 -61.7 -38.3 13.4 29.3 35.7 31 31 A A H >< S+ 0 0 1 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.918 112.3 44.4 -66.0 -41.8 12.6 30.9 32.3 32 32 A W H >< S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.811 100.2 70.2 -70.8 -30.7 13.8 27.8 30.4 33 33 A A G >< S+ 0 0 22 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.620 76.7 81.5 -65.7 -9.8 11.9 25.5 32.9 34 34 A V G X S+ 0 0 37 -3,-0.9 3,-1.7 -4,-0.4 -1,-0.3 0.812 81.6 67.1 -59.2 -27.1 8.6 26.9 31.3 35 35 A L G < S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.627 96.6 54.3 -69.6 -13.4 9.4 24.2 28.7 36 36 A Q G < S+ 0 0 17 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.225 76.7 125.7-107.4 14.6 8.8 21.6 31.3 37 37 A E S X S- 0 0 107 -3,-1.7 3,-2.3 1,-0.1 -3,-0.0 -0.430 75.9-106.1 -69.1 153.5 5.3 22.7 32.4 38 38 A S T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.628 117.0 53.3 -61.1 -22.8 2.6 20.0 32.2 39 39 A N T 3 S+ 0 0 128 2,-0.1 -1,-0.3 0, 0.0 -4,-0.0 0.438 89.3 91.7 -95.4 5.8 0.9 21.3 29.1 40 40 A V S < S- 0 0 9 -3,-2.3 -28,-0.1 -6,-0.1 4,-0.1 -0.870 77.5-125.8 -98.8 123.8 4.2 21.5 27.0 41 41 A P - 0 0 46 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.074 23.3-107.6 -60.1 166.6 4.9 18.4 24.9 42 42 A D S S+ 0 0 51 1,-0.2 14,-2.6 13,-0.1 15,-0.4 0.819 110.1 31.0 -62.4 -34.8 8.3 16.6 25.2 43 43 A L E S+ B 0 55A 6 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.996 78.5 173.6-130.9 120.5 9.3 17.9 21.7 44 44 A V E - B 0 54A 0 10,-2.4 10,-2.5 -2,-0.4 2,-0.5 -0.822 26.2-131.1-124.4 164.6 8.1 21.2 20.5 45 45 A W E -aB 13 53A 10 -33,-2.8 -31,-2.9 -2,-0.3 2,-0.4 -0.974 17.4-161.3-113.0 128.7 8.7 23.6 17.6 46 46 A T E - B 0 52A 0 6,-2.9 6,-2.3 -2,-0.5 -31,-0.2 -0.902 13.6-154.6-105.9 139.3 9.4 27.2 18.1 47 47 A R > + 0 0 69 -2,-0.4 -45,-2.9 4,-0.2 3,-0.6 0.510 66.3 104.3 -84.8 -6.2 9.0 29.7 15.3 48 48 A C G > S+ 0 0 15 -32,-0.3 3,-2.4 -47,-0.2 -2,-0.1 -0.341 77.1 18.8 -67.8 155.2 11.5 32.0 16.9 49 49 A N G 3 S- 0 0 51 1,-0.3 31,-0.4 2,-0.1 -1,-0.2 0.780 141.8 -46.7 58.8 34.4 15.1 32.5 15.7 50 50 A G G < S- 0 0 62 -3,-0.6 -1,-0.3 29,-0.1 -2,-0.2 0.216 104.9 -72.2 94.9 -14.8 14.3 31.1 12.3 51 51 A G < + 0 0 4 -3,-2.4 256,-0.4 1,-0.1 2,-0.3 0.484 64.0 161.1 92.9 125.7 12.4 28.0 13.6 52 52 A H E -B 46 0A 1 -6,-2.3 -6,-2.9 254,-0.1 256,-0.2 -0.985 36.6-100.1-165.4 160.0 13.6 25.0 15.3 53 53 A W E -Bc 45 308A 0 254,-2.7 256,-3.0 -2,-0.3 2,-0.4 -0.488 28.2-158.0 -77.7 159.0 12.7 22.0 17.4 54 54 A I E -Bc 44 309A 0 -10,-2.5 -10,-2.4 254,-0.2 2,-0.5 -0.966 8.6-149.4-138.0 124.3 13.4 21.9 21.1 55 55 A A E -B 43 0A 0 254,-2.3 -12,-0.2 -2,-0.4 259,-0.1 -0.795 15.7-173.7 -84.7 128.7 13.7 18.7 23.1 56 56 A T + 0 0 0 -14,-2.6 2,-0.3 -2,-0.5 -13,-0.1 0.475 53.6 65.2-110.5 -5.0 12.5 19.6 26.6 57 57 A R S > S- 0 0 5 -15,-0.4 4,-2.5 1,-0.1 3,-0.5 -0.928 78.1-121.3-128.5 147.5 13.2 16.5 28.7 58 58 A G H > S+ 0 0 0 -2,-0.3 4,-2.8 256,-0.3 5,-0.3 0.854 108.6 57.7 -54.1 -40.6 16.3 14.7 29.8 59 59 A Q H > S+ 0 0 117 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.938 112.0 40.1 -63.5 -41.3 15.4 11.4 28.1 60 60 A L H > S+ 0 0 1 -3,-0.5 4,-2.4 2,-0.2 5,-0.2 0.861 113.9 54.5 -74.0 -36.7 15.0 12.9 24.7 61 61 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.956 112.0 42.9 -62.4 -50.1 18.0 15.2 25.1 62 62 A R H X S+ 0 0 51 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.915 112.9 53.7 -63.2 -41.1 20.3 12.3 26.0 63 63 A E H X S+ 0 0 71 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.934 110.5 45.6 -59.9 -42.5 18.9 10.1 23.2 64 64 A A H < S+ 0 0 0 -4,-2.4 7,-0.2 1,-0.2 -1,-0.2 0.893 110.0 53.7 -71.2 -36.5 19.5 12.7 20.5 65 65 A Y H < S+ 0 0 3 -4,-2.2 279,-0.6 1,-0.2 -1,-0.2 0.793 110.2 49.6 -65.5 -28.3 23.0 13.4 21.8 66 66 A E H < S+ 0 0 113 -4,-1.8 2,-1.4 1,-0.2 -1,-0.2 0.804 100.0 68.1 -74.7 -32.6 23.7 9.7 21.5 67 67 A D >X + 0 0 35 -4,-1.5 4,-2.4 1,-0.2 3,-0.7 -0.545 54.2 157.9 -93.2 72.9 22.4 9.4 18.0 68 68 A Y T 34 + 0 0 58 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.692 66.8 69.3 -69.4 -21.3 25.0 11.4 16.0 69 69 A R T 34 S+ 0 0 184 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.902 115.5 23.7 -65.5 -38.6 24.0 9.6 12.8 70 70 A H T <4 S+ 0 0 52 -3,-0.7 222,-2.2 1,-0.2 2,-0.7 0.766 126.9 50.6 -89.0 -37.0 20.6 11.4 12.7 71 71 A F E < S-D 291 0A 0 -4,-2.4 220,-0.2 -7,-0.2 2,-0.2 -0.832 80.4-167.2-112.8 90.2 21.5 14.4 14.8 72 72 A S E > -D 290 0A 2 218,-2.6 218,-2.3 -2,-0.7 3,-0.6 -0.516 27.4-145.8 -88.4 148.0 24.7 16.0 13.4 73 73 A S T 3 S+ 0 0 1 1,-0.2 -1,-0.1 216,-0.2 215,-0.1 0.312 75.7 102.9 -85.6 5.2 27.0 18.6 14.9 74 74 A E T 3 S+ 0 0 139 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.830 98.0 21.8 -68.0 -27.4 27.8 20.1 11.5 75 75 A C S < S+ 0 0 5 -3,-0.6 -1,-0.3 1,-0.1 9,-0.2 -0.833 78.0 159.6-134.5 83.5 25.3 23.0 12.3 76 76 A P + 0 0 2 0, 0.0 212,-1.9 0, 0.0 2,-0.3 0.476 46.5 69.5 -96.9 0.8 25.1 23.1 16.1 77 77 A F S S- 0 0 28 210,-0.2 6,-0.4 3,-0.1 7,-0.1 -0.879 76.2-103.8-118.5 151.5 23.9 26.6 16.8 78 78 A I S S+ 0 0 6 -2,-0.3 2,-0.1 4,-0.1 307,-0.1 -0.928 94.5 53.2-100.4 137.6 20.7 28.6 16.4 79 79 A P S >> S- 0 0 53 0, 0.0 4,-2.1 0, 0.0 3,-1.4 0.524 87.3-128.9 -81.1 167.6 20.2 30.6 14.3 80 80 A R H 3> S+ 0 0 77 -31,-0.4 4,-2.7 1,-0.3 5,-0.2 0.830 103.6 58.3 -52.8 -41.5 21.1 28.7 11.3 81 81 A E H 3> S+ 0 0 129 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.875 108.8 46.2 -61.1 -32.7 23.5 31.2 9.8 82 82 A A H <> S+ 0 0 16 -3,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.913 112.6 49.5 -71.9 -44.3 25.7 31.1 13.0 83 83 A G H < S+ 0 0 0 -4,-2.1 -2,-0.2 -6,-0.4 -1,-0.2 0.888 111.2 50.9 -63.8 -35.1 25.6 27.3 13.0 84 84 A E H < S+ 0 0 126 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.867 112.4 45.3 -67.6 -42.7 26.6 27.3 9.3 85 85 A A H < S+ 0 0 28 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.2 0.736 91.7 100.0 -73.8 -21.2 29.5 29.6 9.9 86 86 A Y < + 0 0 17 -4,-1.7 -9,-0.1 1,-0.1 98,-0.0 -0.461 36.6 157.1 -72.6 127.1 30.7 27.8 12.9 87 87 A D + 0 0 38 -2,-0.4 -1,-0.1 -12,-0.1 5,-0.1 0.170 15.0 144.5-138.7 27.7 33.6 25.5 12.2 88 88 A F > - 0 0 2 3,-0.1 4,-1.7 145,-0.1 143,-0.2 -0.281 50.8 -91.6 -66.4 154.8 35.4 24.8 15.4 89 89 A I T 4 S+ 0 0 0 141,-1.8 145,-0.3 1,-0.2 146,-0.2 -0.956 97.1 2.0-116.5 133.5 37.0 21.4 16.0 90 90 A P T >4 S+ 0 0 8 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.989 121.8 65.7 -91.8 6.1 35.8 19.0 17.3 91 91 A T T 34 S+ 0 0 31 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.626 103.2 47.6 -68.6 -13.7 32.4 20.6 18.1 92 92 A S T 3< S+ 0 0 15 -4,-1.7 2,-0.3 -5,-0.1 -1,-0.3 0.225 102.0 81.4-109.4 17.7 31.3 20.9 14.4 93 93 A M < - 0 0 8 -3,-1.9 -5,-0.0 -5,-0.1 -6,-0.0 -0.879 64.2-144.6-120.7 150.0 32.3 17.4 13.5 94 94 A D > - 0 0 37 -2,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.754 39.4 -66.8-103.2 154.4 30.7 14.0 13.8 95 95 A P T 4 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.438 108.6 43.6 -64.3 158.5 32.3 10.7 14.5 96 96 A P T >> S+ 0 0 85 0, 0.0 3,-1.2 0, 0.0 4,-0.5 -0.952 126.5 35.8 -79.0 -19.3 34.1 8.9 13.2 97 97 A E H >> S+ 0 0 95 -3,-0.4 4,-0.9 1,-0.3 3,-0.6 0.857 114.1 61.3 -58.2 -36.1 36.3 11.9 12.0 98 98 A Q H 3X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 -1,-0.3 0.809 88.3 73.1 -56.3 -32.3 35.7 13.7 15.3 99 99 A R H <> S+ 0 0 132 -3,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.877 98.0 42.6 -61.5 -42.7 37.2 10.9 17.4 100 100 A Q H < S+ 0 0 8 -4,-1.6 3,-0.7 2,-0.2 4,-0.5 0.949 111.3 49.2 -66.6 -47.1 44.3 15.2 20.4 105 105 A A H >X S+ 0 0 2 -4,-2.6 4,-1.6 1,-0.2 3,-1.6 0.877 104.2 61.4 -58.7 -35.8 42.3 17.9 22.3 106 106 A N H 3X S+ 0 0 71 -4,-2.4 4,-2.0 1,-0.3 -1,-0.2 0.844 94.3 62.7 -60.0 -31.1 42.2 15.6 25.3 107 107 A Q H << S+ 0 0 118 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.763 111.7 36.2 -66.6 -22.3 45.9 15.6 25.6 108 108 A V H <4 S+ 0 0 4 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.2 0.626 133.7 18.7-110.4 -16.3 46.0 19.3 26.2 109 109 A V H < S+ 0 0 13 -4,-1.6 243,-0.4 100,-0.1 -3,-0.2 0.465 99.6 103.6-130.4 0.9 42.8 20.0 28.4 110 110 A G S X S- 0 0 0 -4,-2.0 4,-0.7 -5,-0.3 3,-0.5 0.025 88.9 -71.8 -68.7-179.0 42.0 16.5 29.7 111 111 A M H > S+ 0 0 83 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.754 122.0 54.0 -52.6 -45.8 42.7 15.2 33.3 112 112 A P H > S+ 0 0 88 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.950 104.3 57.5 -66.6 -37.9 46.5 14.7 33.6 113 113 A V H > S+ 0 0 9 -3,-0.5 4,-2.5 1,-0.3 5,-0.2 0.820 100.2 62.7 -49.0 -36.6 47.1 18.3 32.5 114 114 A V H X S+ 0 0 0 -4,-0.7 4,-1.7 1,-0.2 -1,-0.3 0.947 99.7 49.7 -62.0 -42.8 44.9 19.2 35.4 115 115 A D H < S+ 0 0 78 -4,-1.4 4,-0.5 -3,-0.4 3,-0.3 0.929 111.6 50.0 -70.6 -30.0 47.4 17.7 37.8 116 116 A K H < S+ 0 0 137 -4,-1.8 3,-0.3 1,-0.2 4,-0.2 0.894 117.8 38.5 -69.1 -34.6 50.2 19.7 36.1 117 117 A L H >X S+ 0 0 12 -4,-2.5 4,-2.2 1,-0.2 3,-1.1 0.615 88.6 97.9 -85.3 -14.8 48.3 23.0 36.3 118 118 A E H 3X S+ 0 0 82 -4,-1.7 4,-2.6 1,-0.3 5,-0.2 0.846 81.0 51.2 -54.2 -37.1 46.7 22.5 39.7 119 119 A N H 3> S+ 0 0 102 -4,-0.5 4,-2.3 -3,-0.3 -1,-0.3 0.885 112.0 46.9 -69.8 -30.9 49.3 24.5 41.6 120 120 A R H <> S+ 0 0 110 -3,-1.1 4,-2.6 -4,-0.2 -1,-0.2 0.883 110.4 52.7 -76.6 -35.7 48.9 27.5 39.3 121 121 A I H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.949 111.7 47.0 -60.3 -48.4 45.1 27.2 39.6 122 122 A Q H X S+ 0 0 71 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.918 114.4 46.8 -56.8 -49.3 45.4 27.3 43.4 123 123 A E H X S+ 0 0 113 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.900 111.1 51.0 -64.0 -41.9 47.8 30.2 43.3 124 124 A L H X S+ 0 0 13 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.914 110.7 48.3 -62.5 -44.8 45.7 32.3 40.9 125 125 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.935 113.8 46.5 -58.6 -48.5 42.5 31.8 42.9 126 126 A C H X S+ 0 0 23 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.893 112.6 49.7 -64.0 -39.1 44.2 32.8 46.1 127 127 A S H X S+ 0 0 56 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.933 112.6 47.2 -69.3 -41.0 45.9 35.8 44.6 128 128 A L H X S+ 0 0 7 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.957 114.3 46.5 -64.2 -43.8 42.7 37.1 43.0 129 129 A I H >X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 3,-0.5 0.930 109.6 52.4 -68.1 -42.0 40.7 36.7 46.2 130 130 A E H 3< S+ 0 0 62 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.841 104.4 58.4 -63.3 -29.5 43.3 38.3 48.4 131 131 A S H 3< S+ 0 0 69 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.850 115.4 35.5 -66.1 -31.5 43.3 41.3 46.1 132 132 A L H XX S+ 0 0 8 -4,-1.3 3,-1.9 -3,-0.5 4,-0.6 0.811 97.2 84.2 -86.6 -34.3 39.6 41.8 46.7 133 133 A R G >< S+ 0 0 38 -4,-2.5 3,-1.0 1,-0.3 -2,-0.1 0.797 89.5 46.4 -46.7 -51.4 39.3 40.7 50.4 134 134 A P G 34 S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.672 101.7 70.1 -69.9 -15.0 40.3 44.0 52.1 135 135 A Q G <4 S- 0 0 123 -3,-1.9 -2,-0.2 -4,-0.1 -3,-0.1 0.732 88.5-141.2 -75.8 -25.9 38.0 46.0 49.9 136 136 A G S << S+ 0 0 9 -3,-1.0 260,-2.1 -4,-0.6 2,-0.3 0.600 74.3 49.0 76.5 8.0 34.6 44.8 51.2 137 137 A Q E +F 395 0B 120 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.978 53.6 161.7-167.1 156.0 33.1 44.7 47.7 138 138 A C E -F 394 0B 11 256,-1.9 256,-2.2 -2,-0.3 2,-0.7 -0.952 44.6-112.2-160.9 170.7 33.6 43.6 44.2 139 139 A N E > -F 393 0B 49 -2,-0.3 4,-3.2 254,-0.2 5,-0.3 -0.973 37.7-160.3-102.1 103.7 31.8 42.9 40.9 140 140 A F H >>S+ 0 0 0 252,-2.8 5,-2.6 -2,-0.7 4,-2.0 0.843 83.1 53.1 -57.6 -41.6 32.4 39.2 41.1 141 141 A T H 4>S+ 0 0 5 1,-0.2 5,-1.7 3,-0.2 -1,-0.2 0.943 120.4 32.9 -60.8 -42.6 31.8 38.6 37.4 142 142 A E H 45S+ 0 0 86 3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.851 123.8 42.6 -81.5 -34.6 34.4 41.2 36.4 143 143 A D H <5S+ 0 0 59 -4,-3.2 -3,-0.2 3,-0.1 -2,-0.2 0.649 134.7 1.2 -97.0 -19.4 36.9 40.9 39.2 144 144 A Y T X5S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -3,-0.2 0.539 123.0 55.5-130.0 -55.9 37.2 37.2 39.7 145 145 A A T 4 S+ 0 0 23 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.838 105.2 64.0 -65.2 -27.7 40.2 36.9 35.0 148 148 A F H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 5,-0.2 0.974 106.8 35.3 -66.7 -61.1 40.4 33.4 36.5 149 149 A P H > S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.863 116.7 53.0 -66.1 -33.3 39.8 31.1 33.5 150 150 A I H X S+ 0 0 12 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.930 108.5 50.8 -71.7 -35.4 41.5 33.3 30.9 151 151 A R H X S+ 0 0 86 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.894 110.1 50.4 -62.2 -38.5 44.7 33.4 33.0 152 152 A I H X S+ 0 0 5 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.938 110.1 50.2 -63.8 -39.6 44.6 29.6 33.3 153 153 A F H X S+ 0 0 16 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.931 105.9 55.1 -65.4 -41.4 44.1 29.3 29.5 154 154 A M H <>S+ 0 0 5 -4,-2.5 5,-2.4 1,-0.2 4,-0.5 0.883 109.7 48.5 -60.5 -34.0 47.1 31.6 28.9 155 155 A L H ><5S+ 0 0 71 -4,-1.7 3,-0.7 3,-0.2 -1,-0.2 0.933 112.8 45.0 -67.9 -44.5 49.2 29.3 31.0 156 156 A L H 3<5S+ 0 0 19 -4,-2.4 53,-2.6 1,-0.2 -2,-0.2 0.851 118.4 44.7 -70.7 -28.8 48.1 26.2 29.3 157 157 A A T 3<5S- 0 0 0 -4,-2.7 -1,-0.2 51,-0.2 53,-0.2 0.395 107.6-122.8 -92.2 0.6 48.5 27.8 25.9 158 158 A G T < 5 + 0 0 37 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.906 59.9 148.1 60.9 42.5 51.9 29.4 26.6 159 159 A L < - 0 0 15 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.2 -0.787 50.6-102.7-109.6 148.8 50.5 32.9 25.8 160 160 A P > - 0 0 54 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.474 20.2-125.9 -78.0 144.5 51.8 36.1 27.5 161 161 A E G > S+ 0 0 140 1,-0.3 3,-2.1 2,-0.2 -7,-0.0 0.817 107.3 65.4 -52.2 -35.0 49.8 37.8 30.2 162 162 A E G 3 S+ 0 0 144 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.740 92.2 64.6 -66.7 -14.8 49.9 41.1 28.3 163 163 A D G <> S+ 0 0 47 -3,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.597 78.4 91.2 -79.3 -9.8 47.8 39.5 25.6 164 164 A I H <> S+ 0 0 26 -3,-2.1 4,-2.5 -4,-0.3 5,-0.2 0.913 82.3 46.7 -59.5 -48.3 44.9 39.0 27.9 165 165 A P H > S+ 0 0 87 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.883 115.1 48.7 -67.1 -29.7 42.9 42.3 27.4 166 166 A H H > S+ 0 0 93 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.916 112.2 47.1 -70.4 -38.9 43.2 41.9 23.6 167 167 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.939 112.4 51.2 -67.4 -37.6 42.1 38.3 23.6 168 168 A K H X S+ 0 0 70 -4,-2.5 4,-3.1 -5,-0.3 5,-0.3 0.918 107.6 52.2 -62.1 -47.0 39.3 39.3 25.9 169 169 A Y H X S+ 0 0 140 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.938 112.7 47.2 -52.0 -47.4 38.3 42.1 23.4 170 170 A L H X S+ 0 0 9 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.905 113.3 44.9 -68.7 -42.0 38.3 39.5 20.7 171 171 A T H >X S+ 0 0 9 -4,-2.9 4,-2.7 1,-0.2 3,-0.8 0.908 110.4 54.6 -73.4 -32.8 36.2 36.9 22.6 172 172 A D H 3X S+ 0 0 46 -4,-3.1 4,-3.0 1,-0.3 -2,-0.2 0.914 101.9 58.5 -60.6 -39.7 33.7 39.4 23.8 173 173 A Q H 3< S+ 0 0 44 -4,-1.9 -1,-0.3 -5,-0.3 5,-0.2 0.839 115.7 37.1 -57.7 -30.7 33.1 40.5 20.2 174 174 A M H << S+ 0 0 16 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.2 0.888 129.8 26.1 -84.9 -45.3 32.1 36.9 19.5 175 175 A T H < S+ 0 0 49 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.531 124.0 45.4-108.3 -10.4 30.3 35.8 22.6 176 176 A R S < S+ 0 0 121 -4,-3.0 -1,-0.2 -5,-0.3 -4,-0.1 -0.570 86.8 177.9-125.6 57.6 28.9 39.1 24.1 177 177 A P - 0 0 87 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.325 30.9-173.0 -80.5 156.5 27.7 40.5 20.8 178 178 A D - 0 0 130 -5,-0.2 -5,-0.0 3,-0.1 0, 0.0 0.129 55.8 -99.9-125.9 12.6 25.9 43.7 20.2 179 179 A G S S+ 0 0 71 2,-0.3 3,-0.1 1,-0.0 0, 0.0 0.533 93.8 113.6 81.5 6.3 24.9 43.3 16.5 180 180 A S S S+ 0 0 93 1,-0.2 2,-0.3 -7,-0.1 -7,-0.0 0.873 84.5 20.8 -76.5 -35.1 27.8 45.4 15.2 181 181 A M S S- 0 0 45 -8,-0.2 -2,-0.3 -7,-0.0 -1,-0.2 -0.922 83.4-113.9-130.1 161.1 29.5 42.4 13.6 182 182 A T > - 0 0 79 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.374 33.8-106.2 -87.0 170.2 28.3 39.0 12.4 183 183 A F H > S+ 0 0 47 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.929 121.2 55.4 -60.6 -44.9 29.4 35.8 14.0 184 184 A A H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 108.7 46.4 -52.5 -41.2 31.5 35.1 10.9 185 185 A E H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 113.2 47.7 -73.6 -39.7 33.4 38.4 11.3 186 186 A A H X S+ 0 0 2 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.893 111.6 52.5 -68.6 -34.1 34.0 38.0 15.0 187 187 A K H X S+ 0 0 14 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.920 108.8 49.0 -66.4 -42.1 35.2 34.5 14.3 188 188 A E H X S+ 0 0 87 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.866 106.6 55.8 -65.6 -35.6 37.6 35.6 11.7 189 189 A A H X S+ 0 0 23 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.911 108.6 48.3 -65.0 -37.6 39.0 38.3 13.9 190 190 A L H >X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 3,-0.6 0.914 109.9 52.1 -64.8 -41.2 39.7 35.6 16.5 191 191 A Y H 3X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.853 101.0 62.0 -63.3 -34.4 41.4 33.5 13.8 192 192 A D H 3< S+ 0 0 104 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.840 104.7 48.3 -58.3 -34.3 43.6 36.4 12.8 193 193 A Y H S+ 0 0 56 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.884 112.5 52.6 -65.7 -32.2 50.5 33.6 13.3 197 197 A I H X S+ 0 0 15 -4,-0.6 4,-2.4 -3,-0.4 -2,-0.2 0.921 109.1 48.6 -68.6 -46.3 51.0 31.8 16.6 198 198 A I H X S+ 0 0 4 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.912 110.1 52.3 -60.0 -39.7 50.2 28.5 15.0 199 199 A E H X S+ 0 0 140 -4,-2.2 4,-1.5 -5,-0.3 3,-0.4 0.935 111.1 48.3 -57.5 -45.2 52.7 29.2 12.2 200 200 A Q H X S+ 0 0 108 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.906 112.6 46.7 -62.4 -44.2 55.3 30.0 14.7 201 201 A R H < S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.574 104.9 59.7 -84.3 -8.0 54.8 26.9 16.8 202 202 A R H < S+ 0 0 85 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.791 115.1 37.0 -80.4 -29.8 54.7 24.7 13.8 203 203 A Q H < S+ 0 0 147 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.941 136.5 19.4 -82.1 -43.7 58.2 25.8 13.0 204 204 A K S < S- 0 0 151 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 -0.654 82.7-167.7-125.6 74.5 59.4 26.1 16.6 205 205 A P - 0 0 78 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.238 6.3-176.9 -62.4 149.1 57.2 24.0 18.9 206 206 A G - 0 0 45 2,-0.1 -48,-0.0 -5,-0.1 0, 0.0 -0.248 45.5 -88.1-114.5-149.6 57.3 24.2 22.7 207 207 A T S S+ 0 0 135 -2,-0.1 -49,-0.1 4,-0.1 2,-0.1 0.200 85.4 112.7-115.5 15.3 55.3 22.2 25.2 208 208 A D S > S- 0 0 25 -51,-0.1 4,-2.2 -50,-0.1 -51,-0.2 -0.254 82.7 -98.1 -80.4 172.9 52.2 24.4 25.4 209 209 A A H > S+ 0 0 6 -53,-2.6 4,-2.5 1,-0.2 5,-0.2 0.834 120.8 52.2 -64.8 -32.9 48.8 23.4 24.2 210 210 A I H > S+ 0 0 4 -53,-0.2 4,-3.1 1,-0.2 5,-0.2 0.941 108.9 49.3 -72.2 -39.5 49.1 25.2 20.9 211 211 A S H > S+ 0 0 2 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.926 112.3 49.7 -61.1 -41.6 52.3 23.6 20.0 212 212 A I H < S+ 0 0 60 -4,-2.2 3,-0.3 2,-0.2 4,-0.2 0.956 115.9 40.6 -66.6 -46.7 50.9 20.1 20.8 213 213 A V H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.963 113.8 53.1 -64.3 -47.5 47.7 20.6 18.8 214 214 A A H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.699 116.3 39.2 -66.2 -18.3 49.5 22.3 15.9 215 215 A N T 3< S+ 0 0 71 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.239 93.8 119.7-111.4 13.7 52.0 19.5 15.5 216 216 A G < - 0 0 10 -3,-1.8 7,-2.5 -4,-0.2 2,-0.4 -0.144 58.9-123.5 -76.6 171.6 49.6 16.6 16.2 217 217 A Q E -H 222 0C 123 5,-0.2 2,-0.4 -117,-0.1 -1,-0.1 -0.938 24.5-170.2-113.3 138.8 48.7 13.6 14.0 218 218 A V E > -H 221 0C 0 3,-3.4 3,-2.2 -2,-0.4 -117,-0.0 -0.999 65.1 -15.7-140.7 138.9 45.1 12.9 13.0 219 219 A N T 3 S- 0 0 70 -2,-0.4 -1,-0.1 1,-0.3 -122,-0.0 0.749 132.0 -46.4 31.5 47.8 43.7 9.8 11.3 220 220 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.401 125.0 71.1 95.5 -0.9 47.2 8.9 10.2 221 221 A R E < S-H 218 0C 92 -3,-2.2 -3,-3.4 3,-0.0 -1,-0.2 -0.869 88.4 -77.7-139.2 170.8 48.5 12.2 8.9 222 222 A P E -H 217 0C 81 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.477 50.8-107.6 -74.0 145.3 49.7 15.6 10.3 223 223 A I - 0 0 2 -7,-2.5 2,-0.1 -10,-0.2 -4,-0.0 -0.287 37.4-120.3 -64.8 145.0 47.1 18.0 11.3 224 224 A T > - 0 0 59 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.504 19.1-111.1 -86.3 168.6 46.8 20.9 8.9 225 225 A S H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.878 119.4 50.9 -56.4 -39.1 47.4 24.6 9.8 226 226 A D H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 109.0 49.1 -70.9 -37.4 43.7 25.2 9.3 227 227 A E H > S+ 0 0 24 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.894 109.8 53.9 -65.8 -45.2 42.5 22.3 11.5 228 228 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.898 108.6 48.4 -60.5 -45.8 44.9 23.5 14.2 229 229 A K H X S+ 0 0 19 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.913 110.2 51.0 -57.6 -45.6 43.4 27.0 14.1 230 230 A R H X S+ 0 0 47 -4,-2.0 -141,-1.8 2,-0.2 4,-0.8 0.796 113.3 46.0 -65.9 -29.1 39.8 25.6 14.3 231 231 A M H X S+ 0 0 0 -4,-1.5 4,-2.5 -143,-0.2 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