==== 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 7CPP . 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) . 17145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 66.4 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 . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 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 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 0 188 0, 0.0 49,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 83.6 46.5 25.7 32.4 2 11 A L - 0 0 86 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.840 360.0-133.2 -98.7 133.0 44.9 23.5 29.8 3 12 A A - 0 0 23 45,-2.8 2,-0.1 -2,-0.4 49,-0.0 -0.625 36.8 -91.0 -83.0 151.5 41.1 23.8 29.5 4 13 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.392 50.6-100.3 -64.7 138.7 39.2 20.5 29.3 5 14 A L - 0 0 56 -2,-0.1 43,-0.1 1,-0.1 6,-0.0 -0.435 35.3-120.5 -63.8 129.7 38.7 19.3 25.7 6 15 A P > - 0 0 33 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.280 28.2-109.2 -65.1 160.7 35.2 20.0 24.3 7 16 A P T 3 S+ 0 0 136 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.743 113.0 58.6 -69.3 -26.1 33.3 16.9 23.2 8 17 A H T 3 S+ 0 0 40 2,-0.1 294,-0.3 1,-0.0 -3,-0.0 0.493 84.7 97.3 -82.1 -3.2 33.5 17.6 19.4 9 18 A V S < S- 0 0 9 -3,-1.3 2,-0.2 292,-0.1 5,-0.1 -0.808 70.7-138.3 -96.7 114.8 37.3 17.6 19.4 10 19 A P > - 0 0 49 0, 0.0 3,-2.0 0, 0.0 36,-0.2 -0.420 15.5-131.8 -69.8 130.3 39.1 14.3 18.4 11 20 A E G > S+ 0 0 171 1,-0.3 3,-1.4 2,-0.2 35,-0.1 0.741 103.9 66.0 -59.1 -23.0 42.0 13.7 20.7 12 21 A H G 3 S+ 0 0 148 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.709 98.0 56.8 -70.8 -22.7 44.3 13.0 17.8 13 22 A L G < S+ 0 0 12 -3,-2.0 33,-2.9 32,-0.1 2,-0.4 0.342 81.1 113.0 -86.5 -2.9 43.9 16.6 16.8 14 23 A V B < +a 46 0A 34 -3,-1.4 2,-0.3 31,-0.2 33,-0.2 -0.642 30.1 161.1 -74.6 132.6 45.1 18.0 20.1 15 24 A F - 0 0 62 31,-3.3 2,-1.6 -2,-0.4 30,-0.0 -0.906 33.9-139.9-148.5 110.1 48.4 19.9 20.1 16 25 A D + 0 0 58 -2,-0.3 2,-0.3 31,-0.2 31,-0.1 -0.537 35.6 164.1 -84.0 76.4 48.9 22.2 23.1 17 26 A F - 0 0 10 -2,-1.6 2,-0.7 32,-0.1 32,-0.4 -0.671 26.7-153.6 -92.6 130.1 50.5 25.3 21.6 18 27 A D > - 0 0 46 -2,-0.3 3,-0.9 1,-0.1 -2,-0.0 -0.947 1.8-163.5-110.2 98.8 50.5 28.5 23.7 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.1 0.643 92.3 48.4 -55.1 -25.3 50.6 31.4 21.3 20 29 A Y T 3 S+ 0 0 37 1,-0.2 364,-0.4 -3,-0.0 -1,-0.3 0.549 128.9 17.8 -93.7 -21.5 51.7 33.6 24.2 21 30 A N S < S- 0 0 101 -3,-0.9 -2,-0.2 362,-0.1 -1,-0.2 -0.375 77.9-173.7-151.5 72.1 54.5 31.3 25.5 22 31 A P > - 0 0 2 0, 0.0 3,-1.2 0, 0.0 11,-0.1 -0.279 30.6-119.1 -69.1 148.6 55.5 28.8 22.8 23 32 A S T 3 S+ 0 0 122 1,-0.3 3,-0.4 9,-0.2 10,-0.1 0.791 104.3 48.9 -56.2 -49.5 58.0 26.2 23.9 24 33 A N T > + 0 0 84 8,-0.2 3,-1.7 1,-0.2 4,-0.4 0.000 67.4 131.7 -85.8 25.4 60.9 26.9 21.6 25 34 A L G X + 0 0 31 -3,-1.2 3,-2.3 1,-0.3 357,-0.3 0.810 63.6 65.0 -50.5 -37.3 61.1 30.6 22.2 26 35 A S G 3 S+ 0 0 130 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.845 98.1 55.3 -51.7 -43.4 64.9 30.6 22.7 27 36 A A G < S- 0 0 55 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.544 129.4 -80.1 -63.7 -20.7 65.4 29.5 19.1 28 37 A G <> - 0 0 5 -3,-2.3 4,-2.6 -4,-0.4 -1,-0.3 -0.260 38.0 -94.0 125.3 153.2 63.5 32.5 17.9 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.944 123.0 47.9 -69.2 -48.5 59.7 33.3 17.5 30 39 A Q H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 114.9 48.0 -57.4 -46.3 59.3 32.2 13.9 31 40 A E H 4 S+ 0 0 62 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.923 108.8 54.9 -59.9 -38.9 61.2 29.0 14.8 32 41 A A H >< S+ 0 0 1 -4,-2.6 3,-0.8 1,-0.3 -8,-0.2 0.895 113.6 39.9 -63.1 -43.1 59.0 28.5 17.9 33 42 A W H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 -1,-0.3 0.750 101.5 72.5 -71.5 -34.6 55.7 28.7 15.8 34 43 A A G >< S+ 0 0 20 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.510 76.5 79.9 -62.4 -13.1 57.2 26.6 12.9 35 44 A V G X S+ 0 0 29 -3,-0.8 3,-1.3 -4,-0.4 -1,-0.3 0.712 81.0 68.2 -60.6 -31.5 57.0 23.5 15.1 36 45 A L G < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.520 96.2 55.1 -62.4 -19.1 53.3 23.6 14.1 37 46 A Q G < S+ 0 0 6 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.2 0.277 79.3 118.6-101.0 4.1 54.4 22.7 10.6 38 47 A E S X S- 0 0 108 -3,-1.3 3,-2.1 1,-0.1 -3,-0.0 -0.367 80.5-105.7 -65.4 156.6 56.4 19.5 11.5 39 48 A S T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.689 117.2 63.1 -55.4 -29.8 55.3 16.2 9.9 40 49 A N T 3 S+ 0 0 114 2,-0.1 -1,-0.3 1,-0.0 -4,-0.1 0.599 90.0 83.3 -74.5 -11.8 53.9 15.0 13.3 41 50 A V S < S- 0 0 6 -3,-2.1 -28,-0.1 -6,-0.1 4,-0.1 -0.846 77.5-130.3-103.4 126.6 51.3 17.9 13.3 42 51 A P - 0 0 44 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.166 29.6-109.9 -60.6 158.3 48.0 17.7 11.5 43 52 A D S S+ 0 0 51 1,-0.2 14,-3.5 13,-0.1 15,-0.4 0.758 108.6 36.8 -63.6 -34.2 47.1 20.6 9.3 44 53 A L E S+ B 0 56A 5 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.988 79.6 172.5-127.0 118.6 44.3 21.7 11.7 45 54 A V E - B 0 55A 0 10,-2.1 10,-2.8 -2,-0.4 2,-0.4 -0.814 26.8-131.8-124.1 167.7 44.9 21.3 15.4 46 55 A W E -aB 14 54A 11 -33,-2.9 -31,-3.3 -2,-0.3 2,-0.4 -0.960 16.6-160.5-123.0 129.4 43.2 22.1 18.7 47 56 A T E - B 0 53A 0 6,-2.8 6,-1.9 -2,-0.4 -31,-0.2 -0.862 13.3-154.3-110.5 146.4 45.1 23.6 21.6 48 57 A R > + 0 0 80 -2,-0.4 -45,-2.8 4,-0.2 3,-0.6 0.385 68.3 97.7 -92.3 -6.0 43.9 23.5 25.2 49 58 A C G > S+ 0 0 12 -32,-0.4 3,-1.6 1,-0.2 -47,-0.1 -0.571 78.5 25.1 -82.3 157.4 45.8 26.6 26.1 50 59 A N G 3 S- 0 0 44 -49,-0.5 31,-0.4 1,-0.3 -1,-0.2 0.800 141.4 -52.8 58.5 33.6 44.3 30.1 26.2 51 60 A G G < S- 0 0 58 -3,-0.6 -1,-0.3 -50,-0.4 -2,-0.2 0.318 101.6 -68.0 91.6 -9.0 40.9 28.6 26.8 52 61 A G < + 0 0 8 -3,-1.6 256,-0.3 1,-0.1 2,-0.3 0.557 66.2 157.2 95.2 127.1 41.0 26.2 23.8 53 62 A H E -B 47 0A 1 -6,-1.9 -6,-2.8 -4,-0.1 256,-0.2 -0.947 38.3 -99.5-166.1 165.1 40.9 27.1 20.1 54 63 A W E -Bc 46 309A 0 254,-2.3 256,-3.5 -2,-0.3 2,-0.4 -0.521 26.5-157.6 -88.1 157.9 41.8 25.7 16.7 55 64 A I E -Bc 45 310A 0 -10,-2.8 -10,-2.1 254,-0.2 2,-0.5 -0.999 9.6-145.9-132.5 127.8 45.0 26.6 14.8 56 65 A A E -B 44 0A 0 254,-2.3 -12,-0.2 -2,-0.4 259,-0.1 -0.854 15.0-170.7 -87.6 126.9 45.3 26.3 11.0 57 66 A T + 0 0 0 -14,-3.5 2,-0.4 -2,-0.5 -13,-0.1 0.527 54.2 70.9 -97.6 -4.5 49.0 25.3 10.3 58 67 A R S >> S- 0 0 6 -15,-0.4 4,-2.7 1,-0.1 3,-0.5 -0.916 76.0-126.3-123.4 146.6 49.2 25.6 6.5 59 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.6 257,-0.3 5,-0.2 0.807 109.8 57.3 -50.9 -39.0 49.2 28.4 4.0 60 69 A Q H 3> S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.920 110.9 39.2 -65.5 -47.7 46.4 26.7 2.1 61 70 A L H <> S+ 0 0 2 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.845 114.2 55.3 -70.4 -40.6 44.0 26.6 5.0 62 71 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.966 110.3 45.2 -60.3 -50.1 45.0 30.0 6.2 63 72 A R H X S+ 0 0 51 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.913 114.7 48.8 -59.5 -45.6 44.2 31.6 2.8 64 73 A E H X S+ 0 0 73 -4,-1.9 4,-1.6 -5,-0.2 3,-0.4 0.910 110.2 48.9 -61.0 -46.0 40.9 29.7 2.6 65 74 A A H < S+ 0 0 0 -4,-2.8 7,-0.3 1,-0.2 -1,-0.2 0.916 111.4 52.4 -62.7 -39.2 39.7 30.6 6.0 66 75 A Y H < S+ 0 0 7 -4,-2.4 279,-0.4 -5,-0.2 -1,-0.2 0.718 109.6 47.0 -65.3 -35.9 40.6 34.2 5.3 67 76 A E H < S+ 0 0 121 -4,-1.3 2,-1.3 -3,-0.4 -1,-0.2 0.755 100.6 72.5 -72.8 -35.3 38.6 34.3 2.0 68 77 A D >X + 0 0 36 -4,-1.6 4,-2.8 1,-0.2 3,-0.7 -0.644 49.0 155.8 -77.4 47.0 35.5 32.7 3.6 69 78 A Y T 34 + 0 0 77 -2,-1.3 -1,-0.2 1,-0.2 5,-0.1 0.768 67.0 72.1 -57.7 -19.6 34.1 35.5 5.8 70 79 A R T 34 S+ 0 0 173 -3,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.918 117.0 19.8 -60.4 -42.1 30.6 33.8 5.6 71 80 A H T <4 S+ 0 0 46 -3,-0.7 222,-2.0 1,-0.2 2,-0.8 0.809 125.3 52.4 -93.9 -44.6 32.0 31.0 7.9 72 81 A F E < S-D 292 0A 0 -4,-2.8 2,-0.2 -7,-0.3 220,-0.2 -0.870 79.7-160.6-100.4 102.5 35.0 32.6 9.6 73 82 A S E > -D 291 0A 3 218,-3.3 218,-2.0 -2,-0.8 3,-0.6 -0.544 24.3-146.7 -92.6 142.7 33.9 35.9 11.1 74 83 A S T 3 S+ 0 0 0 -2,-0.2 -1,-0.1 1,-0.2 215,-0.1 0.332 77.1 102.1 -73.8 -10.1 36.1 38.8 12.1 75 84 A E T 3 S+ 0 0 126 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.857 95.8 19.8 -47.6 -38.0 33.7 39.6 15.0 76 85 A C S < S+ 0 0 2 -3,-0.6 -1,-0.3 1,-0.1 8,-0.2 -0.823 75.7 156.7-138.3 84.7 36.0 38.0 17.6 77 86 A P + 0 0 1 0, 0.0 212,-2.2 0, 0.0 2,-0.4 0.391 48.6 75.0 -96.3 -4.9 39.5 37.9 16.1 78 87 A F S S- 0 0 11 210,-0.2 6,-0.6 3,-0.2 9,-0.1 -0.923 76.8-111.6-115.7 143.4 41.7 37.7 19.1 79 88 A I S S+ 0 0 2 -2,-0.4 2,-0.2 4,-0.2 307,-0.1 -0.890 90.0 56.3-108.4 138.5 42.4 34.8 21.5 80 89 A P S >> S- 0 0 27 0, 0.0 4,-2.3 0, 0.0 3,-1.6 0.570 88.5-123.6 -78.6 169.2 41.6 34.4 24.3 81 90 A R H 3> S+ 0 0 81 -31,-0.4 4,-2.8 1,-0.3 5,-0.2 0.802 108.3 57.9 -47.1 -50.0 37.8 34.8 23.9 82 91 A E H 3> S+ 0 0 133 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.777 111.3 43.9 -50.7 -39.0 37.5 37.7 26.4 83 92 A A H <> S+ 0 0 9 -3,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.909 114.1 49.0 -71.7 -48.8 40.0 39.7 24.4 84 93 A G H < S+ 0 0 0 -4,-2.3 -2,-0.2 -6,-0.6 -3,-0.2 0.816 112.6 50.5 -59.0 -33.6 38.3 38.8 21.1 85 94 A E H < S+ 0 0 137 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.888 111.7 45.0 -74.1 -33.8 35.0 39.7 22.7 86 95 A A H < S+ 0 0 18 -4,-1.3 2,-0.4 -5,-0.2 -2,-0.2 0.681 89.5 105.2 -82.5 -20.3 36.2 43.1 23.9 87 96 A Y < + 0 0 13 -4,-1.7 -9,-0.1 1,-0.1 98,-0.0 -0.511 33.0 153.6 -66.2 119.9 37.8 43.8 20.5 88 97 A D + 0 0 38 -2,-0.4 -1,-0.1 143,-0.1 143,-0.1 0.102 17.4 143.5-141.1 25.0 35.7 46.3 18.7 89 98 A F > - 0 0 2 145,-0.1 4,-2.8 3,-0.1 143,-0.2 -0.288 47.9 -99.3 -68.6 149.4 38.1 48.0 16.3 90 99 A I T 4 S+ 0 0 0 141,-1.1 145,-0.3 1,-0.3 -2,-0.1 -0.955 95.4 7.4-117.8 137.1 37.0 49.1 12.8 91 100 A P T >4 S+ 0 0 8 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 -0.992 124.7 61.0 -90.0 3.9 37.4 47.9 10.2 92 101 A T T 34 S+ 0 0 30 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.697 99.9 51.9 -64.9 -31.9 38.9 44.7 11.7 93 102 A S T 3< S+ 0 0 18 -4,-2.8 2,-0.3 -18,-0.1 -1,-0.3 0.361 102.0 81.8 -89.6 12.7 36.0 43.5 13.9 94 103 A M < - 0 0 17 -3,-1.4 -6,-0.0 -5,-0.2 -5,-0.0 -0.878 64.4-144.7-119.6 154.1 33.6 43.7 10.9 95 104 A D >> - 0 0 35 -2,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.578 42.3 -57.9-104.9 162.0 32.7 41.5 7.9 96 105 A P T 34 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.433 113.2 33.4 -69.1 146.4 31.8 42.5 4.3 97 106 A P T 34 S+ 0 0 113 0, 0.0 4,-0.4 0, 0.0 3,-0.4 -0.999 126.5 42.3 -90.9 -7.2 29.7 44.2 3.2 98 107 A E T X> S+ 0 0 123 -3,-0.6 3,-0.8 1,-0.2 4,-0.8 0.872 108.3 61.7 -63.0 -40.1 29.7 46.5 6.2 99 108 A Q H >X S+ 0 0 5 -4,-2.0 4,-2.6 1,-0.2 3,-0.6 0.856 88.8 72.8 -49.7 -51.7 33.5 46.6 6.4 100 109 A R H 3> S+ 0 0 166 -3,-0.4 4,-2.0 1,-0.3 -1,-0.2 0.710 93.8 48.4 -38.0 -49.9 33.9 48.1 3.0 101 110 A Q H <> S+ 0 0 51 -3,-0.8 4,-1.4 -4,-0.4 -1,-0.3 0.869 114.2 47.1 -66.9 -41.8 32.8 51.7 3.7 102 111 A F H X S- 0 0 0 -4,-1.9 4,-1.5 -5,-0.3 3,-1.1 0.153 83.2 -79.1 -52.4 177.6 46.7 54.7 1.7 112 121 A M H >> S+ 0 0 106 1,-0.3 4,-1.9 2,-0.2 3,-0.6 0.874 124.8 55.0 -44.4 -60.7 49.1 55.1 -1.2 113 122 A P H 3> S+ 0 0 100 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.767 105.8 53.5 -54.0 -28.2 48.6 58.8 -1.8 114 123 A V H <> S+ 0 0 26 -3,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.858 106.5 52.0 -73.0 -39.6 49.5 59.5 1.9 115 124 A V H X S+ 0 0 7 -4,-2.0 4,-1.8 1,-0.2 3,-0.6 0.405 83.8 102.9 -92.6 -1.4 55.1 61.7 3.5 119 128 A E H 3X S+ 0 0 58 -4,-0.8 4,-2.1 -3,-0.4 3,-0.3 0.861 78.8 50.2 -54.5 -47.1 58.0 60.3 1.5 120 129 A N H 3> S+ 0 0 139 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.3 0.800 111.8 47.7 -64.1 -37.1 60.3 63.2 2.1 121 130 A R H <> S+ 0 0 122 -3,-0.6 4,-2.7 2,-0.2 -1,-0.3 0.725 108.5 54.0 -71.0 -40.2 59.8 63.2 5.9 122 131 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 -3,-0.3 -2,-0.2 0.956 113.5 43.2 -56.8 -49.0 60.3 59.4 6.2 123 132 A Q H X S+ 0 0 60 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.891 114.3 51.9 -62.5 -42.5 63.6 59.8 4.4 124 133 A E H X S+ 0 0 110 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.898 112.2 43.3 -62.8 -49.0 64.5 62.8 6.5 125 134 A L H X S+ 0 0 27 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.804 112.8 52.8 -65.5 -37.5 63.8 61.2 9.9 126 135 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.951 112.8 43.9 -64.8 -48.9 65.6 58.0 8.9 127 136 A C H X S+ 0 0 26 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.876 114.2 50.5 -61.5 -46.2 68.7 59.8 7.9 128 137 A S H X S+ 0 0 71 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.958 111.5 47.0 -61.0 -45.1 68.6 62.1 10.9 129 138 A L H X S+ 0 0 14 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.878 115.5 45.5 -64.4 -40.4 68.2 59.2 13.4 130 139 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.915 111.1 51.0 -72.1 -43.7 71.0 57.1 11.8 131 140 A E H < S+ 0 0 62 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.930 109.1 52.5 -61.5 -42.1 73.5 60.0 11.5 132 141 A S H < S+ 0 0 72 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.819 116.2 40.6 -61.8 -36.0 72.9 60.8 15.2 133 142 A L H >X S+ 0 0 11 -4,-1.1 3,-1.5 -3,-0.2 4,-0.6 0.826 95.5 81.8 -78.9 -41.4 73.7 57.2 16.1 134 143 A R G >< S+ 0 0 41 -4,-2.9 3,-0.8 1,-0.3 -2,-0.1 0.734 88.8 47.9 -35.4 -53.3 76.6 56.5 13.7 135 144 A P G 34 S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.698 99.9 69.4 -73.6 -12.6 79.5 58.0 15.7 136 145 A Q G <4 S- 0 0 116 -3,-1.5 -2,-0.2 -4,-0.2 -3,-0.1 0.760 85.9-146.8 -78.0 -26.5 78.5 56.3 18.9 137 146 A G S << S+ 0 0 9 -3,-0.8 260,-1.9 -4,-0.6 2,-0.3 0.652 70.9 57.8 64.2 21.4 79.4 52.8 17.7 138 147 A Q E +F 396 0B 125 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.936 54.1 157.3-176.6 137.1 76.6 51.3 19.8 139 148 A C E -F 395 0B 13 256,-2.1 256,-2.7 -2,-0.3 2,-0.8 -0.980 46.7-114.3-145.0-173.7 72.9 51.4 20.4 140 149 A N E > -F 394 0B 27 -2,-0.3 4,-3.7 254,-0.3 5,-0.3 -0.944 36.9-162.3-113.8 66.6 69.8 49.6 21.6 141 150 A F H >>S+ 0 0 0 252,-2.6 5,-2.9 -2,-0.8 4,-2.0 0.775 84.5 54.9 -35.6 -39.3 68.2 49.4 18.1 142 151 A T H 4>S+ 0 0 9 3,-0.2 5,-1.5 2,-0.2 -1,-0.2 0.953 121.7 27.8 -64.8 -50.9 64.8 48.7 19.6 143 152 A E H 45S+ 0 0 118 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.830 126.3 46.9 -77.8 -35.7 64.8 51.8 21.8 144 153 A D H <5S- 0 0 57 -4,-3.7 -3,-0.2 3,-0.1 -2,-0.2 0.640 135.0 -9.5 -75.9 -31.4 67.1 53.9 19.6 145 154 A Y T X5S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 -3,-0.2 0.511 120.7 63.2-133.8 -56.5 65.6 53.4 16.1 146 155 A A T 4 S+ 0 0 21 0, 0.0 4,-3.1 0, 0.0 5,-0.4 0.877 109.1 61.1 -60.8 -43.7 61.2 56.4 17.4 149 158 A F H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -3,-0.1 0.951 116.6 26.0 -50.9 -65.2 61.4 56.0 13.6 150 159 A P H > S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.857 123.6 53.7 -67.5 -39.8 58.0 54.6 12.8 151 160 A I H X S+ 0 0 2 -4,-1.8 4,-3.3 2,-0.2 5,-0.2 0.911 107.0 48.3 -65.6 -51.4 56.3 56.1 15.9 152 161 A R H X S+ 0 0 87 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.887 111.3 52.2 -58.7 -35.3 57.4 59.7 15.3 153 162 A I H X S+ 0 0 4 -4,-1.5 4,-1.7 -5,-0.4 -1,-0.2 0.861 112.3 46.5 -67.6 -33.1 56.1 59.3 11.7 154 163 A F H X S+ 0 0 13 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.919 109.1 52.5 -72.0 -47.0 52.8 58.1 13.1 155 164 A M H X>S+ 0 0 4 -4,-3.3 5,-1.9 1,-0.2 4,-1.3 0.934 110.8 50.5 -56.7 -37.8 52.6 60.9 15.6 156 165 A L H <5S+ 0 0 84 -4,-2.4 3,-0.2 2,-0.2 -1,-0.2 0.892 111.5 45.9 -62.6 -45.9 53.2 63.3 12.7 157 166 A L H <5S+ 0 0 15 -4,-1.7 53,-2.6 1,-0.2 -1,-0.2 0.899 119.3 41.6 -66.1 -42.6 50.4 61.7 10.6 158 167 A A H <5S- 0 0 0 -4,-2.8 53,-0.4 51,-0.2 -1,-0.2 0.505 104.1-126.7 -83.5 -15.8 48.0 61.6 13.5 159 168 A G T <5 + 0 0 37 -4,-1.3 -3,-0.2 -3,-0.2 -4,-0.1 0.878 59.9 145.0 64.8 40.7 48.9 65.1 14.9 160 169 A L < - 0 0 10 -5,-1.9 -1,-0.2 -6,-0.1 2,-0.2 -0.888 54.1 -99.1-111.6 149.4 49.6 63.6 18.4 161 170 A P > - 0 0 48 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.410 15.7-137.9 -71.4 136.9 52.2 64.8 20.9 162 171 A E G > S+ 0 0 97 1,-0.3 3,-1.8 2,-0.2 -7,-0.0 0.797 101.9 72.9 -61.6 -24.0 55.5 62.8 21.1 163 172 A E G 3 S+ 0 0 150 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.827 90.6 57.1 -57.3 -37.7 55.0 63.2 24.9 164 173 A D G <> S+ 0 0 46 -3,-1.9 4,-2.4 1,-0.2 3,-0.5 0.541 79.0 97.0 -73.9 -14.2 52.2 60.7 24.8 165 174 A I H <> S+ 0 0 32 -3,-1.8 4,-3.6 -4,-0.3 5,-0.2 0.831 78.7 50.2 -43.8 -59.1 54.3 57.9 23.3 166 175 A P H > S+ 0 0 91 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.876 114.1 45.4 -53.9 -42.2 55.3 56.0 26.4 167 176 A H H > S+ 0 0 95 -3,-0.5 4,-1.9 -4,-0.3 -2,-0.2 0.971 117.7 43.0 -67.7 -51.9 51.7 55.8 27.7 168 177 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.863 111.5 54.9 -61.9 -41.9 50.3 54.8 24.3 169 178 A K H X S+ 0 0 15 -4,-3.6 4,-2.3 -5,-0.2 -1,-0.2 0.867 107.7 49.8 -61.2 -43.4 53.0 52.4 23.6 170 179 A Y H X S+ 0 0 102 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.904 110.7 47.6 -62.2 -48.3 52.4 50.5 26.9 171 180 A L H X S+ 0 0 6 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.867 112.3 51.5 -63.9 -37.6 48.7 50.2 26.3 172 181 A T H >X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 3,-0.8 0.909 108.2 51.3 -63.4 -44.5 49.4 49.0 22.8 173 182 A D H 3X S+ 0 0 44 -4,-2.3 4,-2.4 1,-0.3 -1,-0.2 0.812 104.7 56.9 -60.5 -38.1 51.8 46.3 24.1 174 183 A Q H 3< S+ 0 0 7 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.771 106.2 52.1 -64.5 -31.7 49.3 45.1 26.6 175 184 A M H << S+ 0 0 4 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.815 122.0 26.1 -75.4 -38.6 46.9 44.4 23.7 176 185 A T H < S+ 0 0 2 -4,-1.3 210,-2.5 1,-0.1 211,-0.4 0.794 136.4 26.4 -94.0 -37.6 49.2 42.4 21.4 177 186 A R S < S- 0 0 24 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.1 -0.472 84.3-156.5-129.5 64.3 51.6 40.9 24.0 178 187 A P - 0 0 51 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.058 12.1-169.6 -50.8 135.3 49.7 40.7 27.3 179 188 A D - 0 0 110 3,-0.2 4,-0.1 -5,-0.1 -5,-0.1 0.677 47.3-106.1 -93.0 -42.4 51.8 40.7 30.4 180 189 A G S S+ 0 0 74 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.067 98.7 105.2 112.9 -10.7 49.2 39.8 33.0 181 190 A S S S+ 0 0 65 1,-0.2 2,-0.3 -7,-0.0 -7,-0.0 0.800 90.2 6.6 -65.6 -36.0 49.3 43.5 34.2 182 191 A M S S- 0 0 38 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -0.991 73.5-118.8-150.6 147.6 46.0 44.4 32.6 183 192 A T > - 0 0 85 -2,-0.3 4,-2.1 -3,-0.1 3,-0.5 -0.484 37.2-107.1 -77.4 159.8 43.2 42.6 30.8 184 193 A F H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.822 119.7 52.9 -56.9 -44.4 42.3 43.5 27.2 185 194 A A H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.845 109.7 49.5 -60.7 -37.3 39.1 45.4 28.2 186 195 A E H > S+ 0 0 116 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.911 113.0 45.2 -66.2 -49.8 41.1 47.5 30.7 187 196 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.865 112.8 52.1 -62.8 -43.0 43.8 48.4 28.2 188 197 A K H X S+ 0 0 21 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.839 108.3 51.3 -61.5 -40.9 41.1 49.1 25.6 189 198 A E H X S+ 0 0 92 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.898 109.1 49.7 -64.5 -41.0 39.3 51.4 28.0 190 199 A A H X S+ 0 0 27 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.889 111.1 49.4 -65.8 -42.5 42.4 53.4 28.8 191 200 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.886 112.3 48.1 -62.8 -45.0 43.2 53.8 25.1 192 201 A Y H X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.879 106.3 57.3 -65.4 -37.1 39.6 55.0 24.5 193 202 A D H < S+ 0 0 108 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.757 108.6 48.4 -60.2 -36.2 39.9 57.4 27.4 194 203 A Y H X S+ 0 0 35 -4,-1.2 4,-0.6 -3,-0.2 -2,-0.2 0.951 116.6 40.3 -65.9 -57.8 42.9 59.0 25.7 195 204 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 3,-0.5 0.776 97.1 74.6 -61.9 -48.3 41.2 59.3 22.3 196 205 A I H X S+ 0 0 55 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.844 98.3 45.4 -39.1 -55.2 37.7 60.4 23.2 197 206 A P H > S+ 0 0 62 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.858 113.9 51.8 -60.6 -38.5 38.6 64.0 24.1 198 207 A I H X S+ 0 0 18 -4,-0.6 4,-2.4 -3,-0.5 -2,-0.2 0.922 108.1 48.7 -64.8 -52.5 40.8 64.3 21.0 199 208 A I H X S+ 0 0 0 -4,-2.8 4,-1.1 1,-0.2 5,-0.2 0.929 112.1 51.5 -54.3 -44.3 38.1 63.1 18.6 200 209 A E H X S+ 0 0 108 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.854 109.7 48.8 -57.6 -47.2 35.7 65.6 20.3 201 210 A Q H X S+ 0 0 114 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.888 113.8 46.9 -61.0 -43.4 38.2 68.4 19.8 202 211 A R H < S+ 0 0 34 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.531 104.5 58.3 -83.7 -13.0 38.7 67.5 16.1 203 212 A R H < S+ 0 0 87 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.861 116.1 38.7 -78.8 -34.7 35.0 67.2 15.3 204 213 A Q H < S+ 0 0 156 -4,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.936 133.3 20.2 -73.4 -58.7 34.8 70.8 16.5 205 214 A K S < S- 0 0 73 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.1 -0.817 85.8-157.0-124.2 86.5 38.0 72.2 15.1 206 215 A P - 0 0 78 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.277 9.7-170.8 -68.2 145.3 39.2 69.9 12.3 207 216 A G - 0 0 38 2,-0.2 -48,-0.0 -5,-0.2 0, 0.0 -0.334 39.5 -99.7-115.0-161.9 42.8 69.7 11.2 208 217 A T S S+ 0 0 140 -2,-0.2 -49,-0.1 4,-0.1 2,-0.0 0.365 85.2 110.4-107.4 1.6 44.6 68.1 8.3 209 218 A D S > S- 0 0 22 -51,-0.1 4,-2.2 -50,-0.1 -51,-0.2 -0.225 84.9-102.6 -74.3 166.5 45.7 65.1 10.5 210 219 A A H > S+ 0 0 8 -53,-2.6 4,-2.7 1,-0.2 -52,-0.2 0.841 120.5 53.1 -56.6 -42.1 44.5 61.5 10.3 211 220 A I H > S+ 0 0 2 -53,-0.4 4,-3.6 1,-0.2 5,-0.3 0.939 108.6 48.8 -64.4 -44.8 42.3 61.9 13.4 212 221 A S H > S+ 0 0 3 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.890 112.6 49.2 -59.2 -43.3 40.5 65.0 11.9 213 222 A I H < S+ 0 0 62 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.932 116.1 41.9 -64.2 -46.2 39.9 63.1 8.6 214 223 A V H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.946 111.8 54.5 -66.9 -48.2 38.5 60.1 10.4 215 224 A A H 3< S+ 0 0 0 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.752 117.8 36.2 -56.4 -27.8 36.4 62.1 12.9 216 225 A N T 3< S+ 0 0 72 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.083 92.3 124.3-115.0 23.7 34.7 64.0 10.1 217 226 A G < - 0 0 9 -3,-1.7 7,-2.4 8,-0.1 2,-0.4 -0.242 55.9-123.6 -82.5 173.0 34.4 61.3 7.4 218 227 A Q E -H 223 0C 117 5,-0.3 2,-0.4 -117,-0.1 -2,-0.1 -0.941 23.8-177.9-115.8 137.4 31.3 60.0 5.6 219 228 A V E > S-H 222 0C 0 3,-3.3 3,-1.2 -2,-0.4 -117,-0.1 -0.969 73.9 -7.5-139.7 122.2 30.3 56.3 5.6 220 229 A N T 3 S- 0 0 119 -2,-0.4 -1,-0.1 1,-0.3 -118,-0.0 0.891 129.4 -56.8 55.3 47.8 27.3 55.0 3.7 221 230 A G T 3 S+ 0 0 63 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.109 122.9 85.4 76.3 -18.0 26.3 58.6 2.9 222 231 A R E < S-H 219 0C 100 -3,-1.2 -3,-3.3 1,-0.1 2,-0.2 -0.629 87.6 -84.5-110.0 165.2 26.1 59.8 6.5 223 232 A P E -H 218 0C 79 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.483 45.4-109.9 -67.5 141.6 28.6 61.1 9.0 224 233 A I - 0 0 1 -7,-2.4 2,-0.2 -2,-0.2 -4,-0.0 -0.314 38.2-117.7 -64.2 155.8 30.7 58.7 11.0 225 234 A T > - 0 0 63 1,-0.1 4,-2.7 -9,-0.0 5,-0.2 -0.516 17.4-112.0 -91.5 165.0 29.8 58.6 14.7 226 235 A S H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 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