==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(OXYGENASE) 05-JUL-89 3CPP . 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) . 17297.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 65.4 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 . 52 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 36.8 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 1 1 3 0 0 2 0 2 1 2 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 10 A N 0 0 197 0, 0.0 49,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 100.1 46.6 26.0 32.6 2 11 A L - 0 0 95 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.844 360.0-129.7 -96.1 136.4 44.9 23.7 30.0 3 12 A A - 0 0 23 45,-3.1 0, 0.0 -2,-0.4 0, 0.0 -0.676 34.7 -95.7 -91.3 135.9 41.2 23.9 29.4 4 13 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.210 49.5-101.3 -53.3 132.9 39.2 20.6 29.4 5 14 A L - 0 0 52 1,-0.1 6,-0.0 2,-0.1 43,-0.0 -0.316 34.4-121.5 -62.9 132.3 38.7 19.3 25.8 6 15 A P > - 0 0 30 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.495 25.4-112.9 -70.4 156.4 35.3 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 0.784 112.3 60.2 -64.8 -30.8 33.3 16.9 23.3 8 17 A H T 3 S+ 0 0 42 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.589 86.2 94.2 -76.4 -8.2 33.5 17.7 19.6 9 18 A V S < S- 0 0 6 -3,-1.5 5,-0.1 292,-0.1 -1,-0.0 -0.754 72.3-136.7 -92.9 118.8 37.3 17.6 19.5 10 19 A P > - 0 0 47 0, 0.0 3,-1.4 0, 0.0 36,-0.1 -0.359 16.0-129.7 -68.4 136.5 39.0 14.4 18.6 11 20 A E G > S+ 0 0 171 1,-0.2 3,-1.5 2,-0.2 35,-0.1 0.747 104.8 63.9 -56.6 -32.7 42.0 13.6 20.9 12 21 A H G 3 S+ 0 0 147 1,-0.3 -1,-0.2 33,-0.0 -3,-0.0 0.510 97.4 57.9 -72.4 -8.5 44.3 13.0 17.9 13 22 A L G < S+ 0 0 15 -3,-1.4 33,-2.5 32,-0.1 2,-0.3 0.402 80.4 113.4 -99.9 -3.1 43.9 16.6 16.9 14 23 A V B < +a 46 0A 34 -3,-1.5 2,-0.3 31,-0.2 33,-0.2 -0.597 28.7 159.1 -76.8 131.7 45.1 18.0 20.2 15 24 A F - 0 0 57 31,-2.3 2,-1.9 -2,-0.3 30,-0.1 -0.786 34.2-141.4-149.5 103.1 48.4 19.9 20.1 16 25 A D + 0 0 59 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.465 33.6 165.2 -80.5 80.6 48.9 22.2 23.1 17 26 A F - 0 0 11 -2,-1.9 2,-0.6 32,-0.1 32,-0.4 -0.711 26.2-152.2 -92.1 135.9 50.5 25.3 21.6 18 27 A D > - 0 0 49 -2,-0.4 3,-1.7 3,-0.1 -2,-0.0 -0.924 1.5-162.5-113.4 98.3 50.6 28.5 23.7 19 28 A M T 3 S+ 0 0 0 -2,-0.6 366,-0.2 1,-0.3 -1,-0.1 0.571 93.1 47.9 -59.7 -20.5 50.7 31.4 21.3 20 29 A Y T 3 S+ 0 0 38 1,-0.1 364,-0.4 364,-0.1 -1,-0.3 0.501 128.1 21.3 -99.6 -13.8 51.8 33.6 24.2 21 30 A N S < S- 0 0 104 -3,-1.7 -2,-0.2 362,-0.1 -1,-0.1 -0.310 75.4-173.5-153.5 72.8 54.5 31.2 25.4 22 31 A P > - 0 0 2 0, 0.0 3,-1.0 0, 0.0 11,-0.1 -0.262 32.6-115.5 -71.9 141.4 55.7 28.8 22.7 23 32 A S T 3 S+ 0 0 126 1,-0.3 3,-0.3 9,-0.2 2,-0.3 0.779 104.0 36.7 -46.6 -54.5 58.1 26.2 24.0 24 33 A N T > + 0 0 95 8,-0.2 3,-1.6 1,-0.2 -1,-0.3 -0.369 67.1 141.4-107.9 54.5 61.3 26.8 22.1 25 34 A L G X + 0 0 30 -3,-1.0 3,-2.5 1,-0.3 357,-0.3 0.829 63.3 72.4 -62.5 -30.6 61.1 30.6 22.1 26 35 A S G 3 S+ 0 0 117 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.808 90.2 58.3 -46.1 -46.2 64.9 30.6 22.7 27 36 A A G < S- 0 0 46 -3,-1.6 -1,-0.3 1,-0.3 4,-0.2 0.464 128.7 -83.4 -67.2 -5.5 65.4 29.4 19.1 28 37 A G <> - 0 0 7 -3,-2.5 4,-1.9 -4,-0.2 -1,-0.3 -0.187 39.9 -88.9 109.4 151.8 63.6 32.5 17.9 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.956 122.1 46.0 -62.7 -50.5 59.9 33.4 17.5 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.888 114.0 48.9 -61.7 -43.8 59.4 32.1 13.9 31 40 A E H 4 S+ 0 0 65 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.866 109.1 55.2 -63.7 -36.4 61.2 28.9 14.6 32 41 A A H >< S+ 0 0 2 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.885 110.9 42.9 -63.4 -43.8 59.1 28.5 17.8 33 42 A W H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.766 101.5 71.4 -70.8 -33.9 55.8 28.7 15.7 34 43 A A G >< S+ 0 0 22 -4,-1.8 3,-2.1 1,-0.3 -1,-0.2 0.568 74.3 82.6 -62.5 -12.2 57.3 26.5 13.0 35 44 A V G X S+ 0 0 44 -3,-0.7 3,-1.3 -4,-0.3 -1,-0.3 0.850 81.7 66.6 -58.4 -33.1 57.0 23.5 15.3 36 45 A L G < S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.463 97.0 53.2 -59.9 -20.0 53.4 23.5 14.1 37 46 A Q G < S+ 0 0 8 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.2 0.180 80.7 115.9-106.5 10.4 54.5 22.5 10.6 38 47 A E S X S- 0 0 104 -3,-1.3 3,-2.2 -4,-0.1 -3,-0.0 -0.504 82.6-100.5 -68.7 160.5 56.5 19.4 11.5 39 48 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.601 117.9 60.8 -55.0 -29.7 55.4 16.1 10.2 40 49 A N T 3 S+ 0 0 110 2,-0.1 -1,-0.3 1,-0.0 -4,-0.1 0.518 90.3 89.7 -82.6 -5.5 53.8 14.9 13.4 41 50 A V S < S- 0 0 7 -3,-2.2 -28,-0.1 -6,-0.1 4,-0.1 -0.843 73.8-134.4-104.9 123.1 51.4 17.8 13.3 42 51 A P - 0 0 46 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.205 28.3-111.8 -61.7 157.6 48.0 17.6 11.6 43 52 A D S S+ 0 0 52 1,-0.2 14,-2.5 13,-0.1 15,-0.4 0.707 108.0 35.4 -60.5 -35.8 47.1 20.6 9.4 44 53 A L E S+ B 0 56A 5 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.961 78.5 173.1-127.1 117.8 44.4 21.7 11.8 45 54 A V E - B 0 55A 0 10,-1.9 10,-2.4 -2,-0.4 2,-0.4 -0.768 27.4-132.9-120.4 163.2 44.9 21.2 15.6 46 55 A W E -aB 14 54A 11 -33,-2.5 -31,-2.3 -2,-0.3 2,-0.4 -0.980 19.5-158.7-113.6 130.4 43.1 22.1 18.8 47 56 A T E - B 0 53A 0 6,-3.2 6,-1.7 -2,-0.4 -31,-0.2 -0.909 12.5-153.3-110.9 144.9 45.2 23.7 21.6 48 57 A R > + 0 0 76 -2,-0.4 -45,-3.1 4,-0.2 3,-0.6 0.396 68.6 96.8 -88.9 -5.0 43.9 23.5 25.2 49 58 A C G > S+ 0 0 8 -32,-0.4 3,-2.3 -47,-0.2 -2,-0.2 -0.420 80.0 24.0 -80.7 164.3 45.9 26.7 26.1 50 59 A N G 3 S- 0 0 44 -49,-0.4 31,-0.3 1,-0.3 -1,-0.2 0.734 142.0 -51.2 52.8 32.1 44.4 30.1 26.2 51 60 A G G < S- 0 0 59 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.2 0.219 100.7 -70.9 97.6 -10.3 40.9 28.6 26.7 52 61 A G < + 0 0 10 -3,-2.3 256,-0.3 1,-0.1 2,-0.3 0.521 66.2 159.0 92.2 133.1 41.0 26.1 23.8 53 62 A H E -B 47 0A 1 -6,-1.7 -6,-3.2 254,-0.1 256,-0.2 -0.935 38.1 -98.5-168.2 166.6 40.9 27.1 20.1 54 63 A W E -Bc 46 309A 0 254,-2.3 256,-4.0 -2,-0.3 2,-0.4 -0.576 26.6-156.4 -94.0 153.5 41.8 25.7 16.7 55 64 A I E -Bc 45 310A 0 -10,-2.4 -10,-1.9 254,-0.2 2,-0.3 -0.971 6.6-150.3-130.6 128.0 45.0 26.5 14.7 56 65 A A E -B 44 0A 0 254,-2.0 -12,-0.2 -2,-0.4 259,-0.1 -0.687 14.3-173.8 -95.9 133.8 45.3 26.2 11.0 57 66 A T + 0 0 0 -14,-2.5 2,-0.4 -2,-0.3 -13,-0.1 0.434 50.6 77.3-110.6 -1.4 48.9 25.4 10.2 58 67 A R S > S- 0 0 8 -15,-0.4 4,-2.7 1,-0.1 3,-0.4 -0.903 75.7-126.5-122.1 139.7 49.2 25.5 6.4 59 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.2 257,-0.3 5,-0.2 0.858 111.8 55.5 -39.5 -45.8 49.3 28.3 3.9 60 69 A Q H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 109.7 41.1 -63.2 -48.7 46.4 26.7 2.1 61 70 A L H > S+ 0 0 2 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.881 115.1 51.5 -68.2 -41.2 44.0 26.5 5.1 62 71 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.902 111.1 48.8 -63.1 -42.3 44.9 30.0 6.3 63 72 A R H X S+ 0 0 55 -4,-2.2 4,-0.7 -5,-0.3 -2,-0.2 0.969 114.7 44.3 -61.9 -48.9 44.3 31.4 2.9 64 73 A E H >X S+ 0 0 72 -4,-2.1 4,-1.8 1,-0.2 3,-0.7 0.844 111.7 51.8 -60.1 -47.9 40.9 29.7 2.5 65 74 A A H 3< S+ 0 0 0 -4,-2.7 7,-0.2 1,-0.3 -1,-0.2 0.880 109.6 52.0 -59.5 -38.9 39.8 30.5 6.0 66 75 A Y H 3< S+ 0 0 7 -4,-2.1 279,-0.6 1,-0.2 280,-0.3 0.578 109.0 49.3 -69.3 -28.6 40.6 34.1 5.3 67 76 A E H << S+ 0 0 118 -4,-0.7 2,-1.5 -3,-0.7 3,-0.2 0.848 98.3 72.7 -76.3 -39.4 38.6 34.2 2.1 68 77 A D >X + 0 0 32 -4,-1.8 4,-3.1 1,-0.2 3,-0.7 -0.595 47.0 156.2 -78.3 47.2 35.5 32.6 3.7 69 78 A Y T 34 S+ 0 0 94 -2,-1.5 -1,-0.2 1,-0.2 5,-0.1 0.786 70.2 71.2 -49.6 -30.1 34.1 35.4 5.9 70 79 A R T 34 S+ 0 0 176 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.890 117.9 17.7 -49.3 -53.7 30.8 33.7 5.6 71 80 A H T <4 S+ 0 0 43 -3,-0.7 222,-1.4 1,-0.2 2,-0.7 0.763 127.5 54.0 -87.4 -39.6 32.1 30.9 7.9 72 81 A F E < S-D 292 0A 1 -4,-3.1 2,-0.3 -7,-0.2 -1,-0.2 -0.895 77.0-164.4-108.5 93.7 35.1 32.7 9.5 73 82 A S E > -D 291 0A 4 218,-2.4 218,-1.9 -2,-0.7 3,-0.6 -0.601 24.9-145.6 -87.7 139.0 33.9 36.0 11.0 74 83 A S T 3 S+ 0 0 1 -2,-0.3 -1,-0.1 1,-0.2 215,-0.1 0.251 77.0 103.5 -77.2 1.1 36.2 38.8 12.1 75 84 A E T 3 S+ 0 0 122 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.826 94.0 19.0 -56.6 -43.6 33.8 39.5 14.9 76 85 A C S < S+ 0 0 3 -3,-0.6 -1,-0.3 1,-0.1 8,-0.1 -0.842 77.4 156.3-129.3 84.1 36.0 37.9 17.6 77 86 A P + 0 0 2 0, 0.0 212,-2.2 0, 0.0 2,-0.3 0.638 47.9 75.1 -94.3 -17.8 39.5 37.9 16.0 78 87 A F S S- 0 0 13 210,-0.2 6,-0.5 3,-0.1 9,-0.1 -0.779 77.5-112.7 -98.9 145.5 41.7 37.8 19.1 79 88 A I S S+ 0 0 2 -2,-0.3 2,-0.2 4,-0.1 -28,-0.1 -0.923 89.5 55.6-107.3 143.8 42.4 34.8 21.4 80 89 A P S > S- 0 0 27 0, 0.0 4,-2.2 0, 0.0 3,-0.4 0.550 87.7-124.1 -72.8 177.1 41.6 34.4 24.2 81 90 A R H > S+ 0 0 83 -31,-0.3 4,-2.5 1,-0.2 5,-0.2 0.884 106.3 58.1 -55.9 -51.0 37.9 34.9 24.0 82 91 A E H > S+ 0 0 134 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.775 111.4 44.7 -51.5 -39.6 37.5 37.7 26.5 83 92 A A H > S+ 0 0 10 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.904 113.7 48.9 -72.4 -43.7 40.0 39.8 24.4 84 93 A G H < S+ 0 0 0 -4,-2.2 -2,-0.2 -6,-0.5 -1,-0.2 0.781 110.8 52.3 -66.5 -26.5 38.2 38.9 21.2 85 94 A E H < S+ 0 0 143 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.942 110.7 45.8 -74.5 -41.3 34.9 39.8 22.8 86 95 A A H < S+ 0 0 20 -4,-1.7 2,-0.4 -5,-0.2 -1,-0.2 0.619 89.7 105.7 -68.5 -25.6 36.1 43.2 23.9 87 96 A Y < + 0 0 14 -4,-1.2 -9,-0.1 1,-0.1 98,-0.0 -0.562 30.2 151.2 -70.8 122.4 37.7 43.8 20.5 88 97 A D + 0 0 39 -2,-0.4 -1,-0.1 143,-0.1 5,-0.1 0.100 18.5 146.5-140.8 25.6 35.6 46.3 18.5 89 98 A F > - 0 0 2 3,-0.1 4,-2.2 145,-0.1 143,-0.2 -0.204 48.1 -96.3 -66.1 150.3 38.1 48.0 16.3 90 99 A I T 4 S+ 0 0 1 141,-1.1 145,-0.3 1,-0.3 -1,-0.1 -0.963 96.1 4.3-119.1 135.4 37.0 49.1 12.8 91 100 A P T >4 S+ 0 0 6 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 -0.970 123.5 63.7 -92.1 7.1 37.3 47.8 10.2 92 101 A T T 34 S+ 0 0 31 1,-0.2 -2,-0.2 140,-0.1 -3,-0.1 0.627 98.9 51.3 -72.0 -14.7 38.7 44.6 11.6 93 102 A S T 3< S+ 0 0 20 -4,-2.2 2,-0.4 -5,-0.1 -1,-0.2 0.430 100.8 88.3-103.1 13.5 35.8 43.5 13.8 94 103 A M < - 0 0 12 -3,-1.1 -6,-0.0 -5,-0.2 -5,-0.0 -0.817 63.6-150.1-111.9 138.8 33.6 43.8 10.7 95 104 A D > - 0 0 36 -2,-0.4 4,-2.3 1,-0.1 3,-0.4 -0.641 44.2 -60.8 -96.1 160.0 32.7 41.4 7.9 96 105 A P T 4 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.371 114.5 33.7 -69.3 149.5 31.8 42.5 4.4 97 106 A P T > S+ 0 0 109 0, 0.0 4,-0.6 0, 0.0 3,-0.4 -0.987 126.4 43.3 -93.9 -9.6 29.7 44.2 3.2 98 107 A E H >> S+ 0 0 125 -3,-0.4 4,-0.9 1,-0.2 3,-0.9 0.927 111.8 59.2 -57.5 -40.2 29.7 46.4 6.3 99 108 A Q H >X S+ 0 0 6 -4,-2.3 4,-2.9 1,-0.2 3,-0.7 0.877 89.8 73.1 -53.9 -46.9 33.5 46.4 6.3 100 109 A R H 3> S+ 0 0 178 -3,-0.4 4,-1.6 1,-0.3 -1,-0.2 0.747 96.2 44.5 -41.9 -48.9 33.8 47.9 2.8 101 110 A Q H X S- 0 0 1 -4,-2.7 4,-1.7 -5,-0.1 3,-1.6 -0.033 84.5 -77.0 -61.7-178.1 46.8 54.7 1.4 112 121 A M H 3> S+ 0 0 107 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.843 126.0 58.8 -40.9 -55.5 49.4 55.1 -1.4 113 122 A P H 3> S+ 0 0 100 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.788 107.7 46.3 -52.6 -34.1 48.6 58.8 -1.8 114 123 A V H <> S+ 0 0 25 -3,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.892 110.9 50.8 -75.9 -46.2 49.5 59.6 1.8 115 124 A V H < S+ 0 0 6 -4,-1.7 4,-0.5 1,-0.2 7,-0.2 0.890 109.7 52.6 -53.5 -48.3 52.7 57.5 1.8 116 125 A D H < S+ 0 0 111 -4,-2.7 3,-0.4 1,-0.2 4,-0.3 0.809 110.1 48.0 -56.6 -40.5 53.7 59.4 -1.4 117 126 A K H < S+ 0 0 152 -4,-1.1 3,-0.4 -5,-0.2 -1,-0.2 0.837 116.0 42.4 -66.2 -45.5 53.1 62.7 0.4 118 127 A L S X S+ 0 0 6 -4,-2.1 4,-1.9 1,-0.2 3,-0.3 0.281 82.7 103.7 -85.5 -6.1 55.1 61.8 3.5 119 128 A E H > S+ 0 0 62 -4,-0.5 4,-2.2 -3,-0.4 5,-0.2 0.832 78.8 52.4 -48.5 -43.1 58.0 60.1 1.6 120 129 A N H > S+ 0 0 136 -3,-0.4 4,-2.6 -4,-0.3 -1,-0.2 0.891 110.2 47.0 -67.5 -36.4 60.3 63.1 2.1 121 130 A R H > S+ 0 0 121 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.795 109.8 54.3 -71.6 -35.1 59.8 63.2 5.9 122 131 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.971 113.8 41.3 -58.6 -54.2 60.3 59.4 6.1 123 132 A Q H X S+ 0 0 66 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.920 115.1 52.5 -58.6 -43.8 63.7 59.7 4.3 124 133 A E H X S+ 0 0 110 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.868 112.2 44.3 -60.7 -47.6 64.5 62.8 6.3 125 134 A L H X S+ 0 0 29 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.809 112.4 49.3 -70.2 -39.5 63.8 61.1 9.7 126 135 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.909 113.6 47.3 -63.8 -49.7 65.6 57.9 9.0 127 136 A C H X S+ 0 0 26 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.879 113.0 50.4 -59.0 -44.2 68.7 59.8 7.7 128 137 A S H X S+ 0 0 71 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 0.852 113.4 43.9 -60.9 -42.6 68.6 62.0 10.8 129 138 A L H X S+ 0 0 17 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.883 115.1 47.4 -71.9 -43.6 68.3 59.1 13.3 130 139 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 3,-0.3 0.911 111.2 51.2 -65.2 -45.8 71.0 57.0 11.6 131 140 A E H < S+ 0 0 60 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.898 109.1 51.8 -59.8 -39.2 73.5 59.9 11.4 132 141 A S H < S+ 0 0 74 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.781 115.1 42.1 -67.3 -31.3 72.9 60.6 15.1 133 142 A L H >X S+ 0 0 12 -4,-1.2 3,-1.7 -3,-0.3 4,-0.6 0.878 94.6 82.9 -81.8 -39.9 73.7 57.0 15.9 134 143 A R T 3< S+ 0 0 39 -4,-2.8 3,-0.4 1,-0.3 -2,-0.1 0.590 88.9 45.7 -37.7 -48.0 76.6 56.5 13.6 135 144 A P T 34 S+ 0 0 72 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.654 99.9 70.1 -84.1 -12.5 79.6 57.9 15.6 136 145 A Q T <4 S- 0 0 111 -3,-1.7 -2,-0.2 -4,-0.2 261,-0.1 0.752 86.4-147.9 -71.8 -28.0 78.5 56.2 18.9 137 146 A G S < S+ 0 0 9 -4,-0.6 260,-2.1 -3,-0.4 2,-0.3 0.701 71.7 61.9 61.6 19.3 79.5 52.8 17.5 138 147 A Q E +F 396 0B 127 -5,-0.5 2,-0.3 258,-0.2 258,-0.2 -0.932 54.2 157.4-171.1 132.6 76.6 51.3 19.7 139 148 A C E -F 395 0B 11 256,-1.6 256,-2.5 -2,-0.3 2,-0.8 -0.986 46.2-115.6-139.5-175.9 72.9 51.5 20.1 140 149 A N E > -F 394 0B 29 -2,-0.3 4,-3.9 254,-0.2 5,-0.3 -0.926 36.2-163.2-109.4 64.8 69.8 49.7 21.5 141 150 A F H >>S+ 0 0 0 252,-2.3 5,-2.6 -2,-0.8 4,-2.0 0.824 84.0 54.0 -34.1 -38.6 68.3 49.3 18.0 142 151 A T H 4>S+ 0 0 8 1,-0.2 5,-1.2 3,-0.2 -1,-0.2 0.954 123.2 26.0 -66.8 -47.8 64.9 48.6 19.5 143 152 A E H 45S+ 0 0 120 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.739 125.4 50.1 -81.3 -30.3 64.8 51.7 21.6 144 153 A D H <5S- 0 0 53 -4,-3.9 -3,-0.2 3,-0.1 -2,-0.2 0.665 134.2 -12.3 -79.1 -28.9 67.2 53.8 19.5 145 154 A Y T X5S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 -3,-0.2 0.491 120.1 64.8-140.0 -64.4 65.6 53.4 16.0 146 155 A A T 4 S+ 0 0 20 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.755 109.4 64.7 -56.5 -38.8 61.1 56.3 17.2 149 158 A F H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -3,-0.1 0.989 114.9 23.7 -55.5 -67.2 61.4 55.8 13.5 150 159 A P H > S+ 0 0 1 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.800 123.7 55.8 -65.2 -44.5 58.0 54.5 12.6 151 160 A I H X S+ 0 0 1 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.928 104.8 49.3 -56.5 -54.8 56.3 56.1 15.7 152 161 A R H X S+ 0 0 87 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.874 111.9 51.8 -54.2 -35.4 57.4 59.6 15.1 153 162 A I H X S+ 0 0 3 -4,-1.3 4,-1.2 -5,-0.3 -1,-0.2 0.816 110.5 46.3 -69.9 -35.0 56.1 59.2 11.5 154 163 A F H X S+ 0 0 11 -4,-1.6 4,-3.2 2,-0.2 3,-0.3 0.925 110.1 54.0 -71.1 -43.8 52.7 58.0 12.6 155 164 A M H X>S+ 0 0 4 -4,-3.0 5,-2.5 1,-0.3 4,-1.1 0.813 108.0 51.1 -58.4 -33.1 52.5 60.7 15.2 156 165 A L H <5S+ 0 0 73 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.863 112.8 45.3 -70.2 -45.5 53.1 63.3 12.4 157 166 A L H <5S+ 0 0 14 -4,-1.2 53,-2.6 -3,-0.3 -2,-0.2 0.887 118.0 43.1 -61.3 -48.4 50.4 61.7 10.4 158 167 A A H <5S- 0 0 0 -4,-3.2 53,-0.4 51,-0.2 -2,-0.2 0.565 104.5-129.0 -77.3 -19.6 48.0 61.6 13.3 159 168 A G T <5 + 0 0 35 -4,-1.1 -3,-0.2 -5,-0.3 -4,-0.1 0.936 59.4 143.3 65.0 45.4 48.9 65.0 14.5 160 169 A L < - 0 0 11 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.2 -0.908 56.4 -96.0-116.0 150.3 49.6 63.7 18.1 161 170 A P > - 0 0 45 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.434 16.4-139.0 -66.6 134.5 52.3 64.8 20.5 162 171 A E G > S+ 0 0 94 1,-0.3 3,-0.9 -2,-0.2 -6,-0.0 0.725 102.4 75.5 -62.6 -16.9 55.5 62.8 20.7 163 172 A E G 3 S+ 0 0 154 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.858 88.3 56.8 -63.6 -32.9 55.0 63.4 24.4 164 173 A D G X> S+ 0 0 46 -3,-1.9 4,-2.4 1,-0.2 3,-1.1 0.697 79.9 97.4 -75.9 -17.9 52.2 60.8 24.4 165 174 A I H <> S+ 0 0 33 -3,-0.9 4,-2.5 -4,-0.4 -1,-0.2 0.768 77.4 50.2 -38.8 -61.5 54.4 58.0 23.0 166 175 A P H 3> S+ 0 0 98 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.818 115.6 43.8 -54.1 -36.9 55.4 56.1 26.1 167 176 A H H <> S+ 0 0 98 -3,-1.1 4,-1.8 -4,-0.3 -2,-0.2 0.965 114.2 47.6 -75.8 -53.0 51.9 55.9 27.4 168 177 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.856 111.9 52.9 -56.6 -38.0 50.3 54.9 24.1 169 178 A K H X S+ 0 0 16 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.931 104.7 53.0 -70.6 -40.8 53.0 52.3 23.6 170 179 A Y H X S+ 0 0 99 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.864 112.4 46.5 -59.8 -43.7 52.4 50.7 27.0 171 180 A L H < S+ 0 0 6 -4,-1.8 4,-0.3 2,-0.2 -1,-0.2 0.795 111.7 48.6 -69.6 -39.7 48.7 50.3 26.1 172 181 A T H >X S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 4,-1.1 0.870 109.7 53.2 -66.0 -43.1 49.2 48.9 22.6 173 182 A D H 3X S+ 0 0 42 -4,-2.5 4,-2.5 1,-0.3 3,-0.3 0.819 100.7 62.1 -59.0 -38.1 51.8 46.4 23.9 174 183 A Q H 3< S+ 0 0 7 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.644 105.6 47.5 -59.5 -29.5 49.2 45.3 26.5 175 184 A M H <4 S+ 0 0 3 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.709 121.7 29.7 -81.7 -38.7 46.9 44.2 23.6 176 185 A T H < S+ 0 0 2 -4,-1.1 210,-2.3 -3,-0.3 211,-0.2 0.790 136.5 23.2 -95.1 -37.6 49.4 42.2 21.4 177 186 A R S < S- 0 0 31 -4,-2.5 -2,-0.1 -5,-0.2 -1,-0.1 -0.496 87.4-149.4-132.4 66.4 51.7 41.0 24.1 178 187 A P - 0 0 56 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.004 9.7-163.7 -41.5 128.6 49.8 41.0 27.3 179 188 A D - 0 0 110 3,-0.2 4,-0.1 -5,-0.1 -5,-0.0 0.860 38.4-116.6 -81.2 -48.2 51.9 41.5 30.4 180 189 A G S S+ 0 0 72 2,-0.5 3,-0.1 -6,-0.1 -6,-0.0 -0.052 96.6 98.6 123.6 -17.4 49.4 40.3 33.0 181 190 A S S S+ 0 0 68 1,-0.2 2,-0.3 2,-0.0 -7,-0.0 0.673 91.0 17.5 -68.9 -29.3 49.3 43.8 34.4 182 191 A M S S- 0 0 38 -8,-0.1 -2,-0.5 -11,-0.0 -3,-0.2 -0.986 75.9-121.7-150.2 142.2 46.1 44.8 32.6 183 192 A T > - 0 0 81 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.284 34.2-109.0 -73.0 165.4 43.3 43.0 30.9 184 193 A F H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.882 119.9 49.8 -63.9 -43.0 42.5 43.7 27.2 185 194 A A H > S+ 0 0 45 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.939 110.8 49.3 -61.4 -47.2 39.2 45.5 28.1 186 195 A E H > S+ 0 0 114 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.869 113.4 47.0 -57.8 -46.1 41.0 47.6 30.7 187 196 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.891 111.2 50.6 -64.9 -46.8 43.7 48.5 28.1 188 197 A K H X S+ 0 0 15 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.901 108.4 53.0 -62.5 -41.2 41.2 49.3 25.4 189 198 A E H X S+ 0 0 97 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.879 107.8 50.7 -62.3 -39.2 39.3 51.6 27.7 190 199 A A H X S+ 0 0 25 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.827 111.0 47.5 -68.5 -37.6 42.4 53.6 28.6 191 200 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.841 112.1 51.8 -69.2 -39.3 43.3 54.1 24.9 192 201 A Y H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.858 105.0 55.0 -64.8 -36.9 39.7 55.1 24.4 193 202 A D H < S+ 0 0 109 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.752 108.7 49.4 -63.2 -37.8 40.0 57.6 27.2 194 203 A Y H X S+ 0 0 29 -4,-1.0 4,-0.7 1,-0.1 -2,-0.2 0.962 116.2 41.4 -66.5 -52.3 42.9 59.1 25.5 195 204 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.740 98.1 72.4 -72.5 -38.3 41.1 59.4 22.1 196 205 A I H X S+ 0 0 65 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.925 100.6 44.0 -43.7 -61.6 37.6 60.6 23.2 197 206 A P H > S+ 0 0 61 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.831 115.2 48.8 -49.1 -49.7 38.7 64.1 24.0 198 207 A I H X S+ 0 0 21 -4,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.871 109.5 51.8 -63.1 -44.9 40.8 64.5 20.9 199 208 A I H X S+ 0 0 1 -4,-2.7 4,-0.9 1,-0.2 3,-0.2 0.934 107.8 51.7 -59.7 -50.0 38.1 63.2 18.6 200 209 A E H X S+ 0 0 110 -4,-2.3 4,-1.4 1,-0.2 3,-0.3 0.831 109.7 51.2 -50.0 -43.5 35.5 65.6 20.0 201 210 A Q H X S+ 0 0 99 -4,-1.2 4,-3.1 1,-0.2 -1,-0.2 0.872 110.7 47.0 -65.7 -42.5 38.0 68.5 19.4 202 211 A R H < S+ 0 0 36 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.452 104.2 60.9 -81.6 -12.0 38.6 67.4 15.8 203 212 A R H < S+ 0 0 85 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.859 118.9 30.4 -78.9 -37.4 34.9 67.1 15.1 204 213 A Q H < S+ 0 0 136 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.917 134.5 27.3 -78.6 -58.4 34.6 70.8 16.0 205 214 A K S < S- 0 0 153 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.1 -0.763 84.1-168.1-115.0 75.9 38.0 72.2 14.9 206 215 A P + 0 0 78 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.254 8.6 178.6 -68.1 155.8 39.2 69.8 12.1 207 216 A G - 0 0 41 2,-0.2 -48,-0.0 -5,-0.2 0, 0.0 -0.454 45.1 -91.7-131.8-153.3 42.7 69.9 10.8 208 217 A T S S+ 0 0 138 -2,-0.2 -49,-0.1 4,-0.1 5,-0.0 0.327 82.5 116.3-114.1 -1.4 44.4 67.8 8.1 209 218 A D S > S- 0 0 23 -51,-0.1 4,-1.7 1,-0.1 3,-0.3 -0.229 82.7-103.7 -62.7 163.3 45.8 65.1 10.4 210 219 A A H > S+ 0 0 6 -53,-2.6 4,-1.7 1,-0.2 -52,-0.2 0.766 121.2 54.4 -58.5 -38.0 44.5 61.5 9.9 211 220 A I H > S+ 0 0 4 -53,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.858 105.5 51.8 -65.5 -42.7 42.3 61.8 13.0 212 221 A S H > S+ 0 0 2 -3,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.851 111.9 47.4 -58.2 -45.2 40.6 65.0 11.7 213 222 A I H < S+ 0 0 56 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.820 114.3 45.9 -67.9 -42.6 39.8 63.1 8.4 214 223 A V H >< S+ 0 0 0 -4,-1.7 3,-1.3 -5,-0.2 -2,-0.2 0.910 112.3 51.3 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37.4-119.7 -58.7 151.1 30.7 58.7 10.8 225 234 A T > - 0 0 63 1,-0.1 4,-2.4 -9,-0.0 5,-0.2 -0.459 18.5-110.0 -89.5 169.3 29.7 58.6 14.5 226 235 A S H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.892 119.2 48.9 -66.5 -42.0 31.9 59.5 17.4 227 236 A D H > S+ 0 0 75 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.899 109.6 51.8 -65.4 -46.0 32.0 55.9 18.6 228 237 A E H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.943 111.6 46.8 -57.3 -48.8 32.9 54.7 15.1 229 238 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.922 110.0 52.6 -64.5 -40.6 35.8 57.2 14.8 230 239 A K H X S+ 0 0 35 -4,-2.4 4,-1.6 1,-0.3 -2,-0.2 0.958 112.3 47.9 -57.7 -46.5 37.1 56.3 18.3 231 240 A R H X S+ 0 0 41 -4,-2.6 4,-1.1 1,-0.2 -141,-1.1 0.787 112.2 46.1 -66.0 -39.9 37.0 52.7 17.1 232 241 A M H X S+ 0 0 1 -4,-2.4 4,-2.0 -143,-0.2 -1,-0.2 0.897 112.3 51.3 -67.3 -46.6 38.8 53.3 13.8 233 242 A C H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.785 102.3 61.4 -59.4 -30.6 41.5 55.5 15.5 234 243 A G H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.940 107.7 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