==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-MAY-97 1AKD . COMPND 2 MOLECULE: CYTOCHROME P450CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR I.SCHLICHTING,C.JUNG,H.SCHULZE . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17479.0 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 . 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 . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 36.5 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 0 3 0 0 2 1 2 1 0 1 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 10 A N 0 0 199 0, 0.0 49,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-150.7 31.5 46.6 10.3 2 11 A L - 0 0 66 47,-0.1 47,-0.2 48,-0.1 3,-0.0 -0.465 360.0-122.4 -94.7 163.9 28.3 47.9 8.8 3 12 A A - 0 0 24 45,-1.8 49,-0.0 -2,-0.1 -1,-0.0 -0.843 40.5 -97.8-104.6 139.1 27.2 48.1 5.1 4 13 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.262 44.8 -98.3 -61.5 145.1 26.3 51.5 3.7 5 14 A L - 0 0 70 1,-0.1 6,-0.0 2,-0.1 43,-0.0 -0.397 34.9-124.8 -65.7 130.1 22.6 52.5 3.6 6 15 A P > - 0 0 32 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.475 23.5-113.0 -67.7 151.5 20.8 52.0 0.2 7 16 A P T 3 S+ 0 0 141 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.842 112.5 52.2 -57.6 -37.3 18.9 55.0 -1.3 8 17 A H T 3 S+ 0 0 45 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.630 87.5 93.1 -80.6 -11.3 15.4 53.5 -0.9 9 18 A V S < S- 0 0 7 -3,-1.4 2,-0.1 292,-0.1 5,-0.1 -0.712 73.3-136.2 -88.8 115.4 15.8 52.7 2.8 10 19 A P > - 0 0 51 0, 0.0 3,-1.3 0, 0.0 36,-0.1 -0.376 15.2-122.7 -68.4 153.9 14.5 55.5 5.1 11 20 A E G > S+ 0 0 170 1,-0.3 3,-1.1 2,-0.2 -2,-0.0 0.753 103.9 62.8 -75.1 -25.0 16.6 56.5 8.1 12 21 A H G 3 S+ 0 0 155 1,-0.2 -1,-0.3 33,-0.0 -3,-0.0 0.363 98.0 58.9 -83.4 1.9 14.0 55.9 10.8 13 22 A L G < S+ 0 0 16 -3,-1.3 33,-2.7 28,-0.1 2,-0.4 0.330 76.9 113.4-109.6 2.0 13.7 52.2 10.0 14 23 A V B < +a 46 0A 38 -3,-1.1 2,-0.3 31,-0.2 33,-0.2 -0.666 29.3 160.2 -81.9 124.1 17.4 51.3 10.6 15 24 A F - 0 0 66 31,-2.5 2,-2.0 -2,-0.4 30,-0.1 -0.899 35.6-137.6-143.6 107.3 18.0 49.0 13.6 16 25 A D + 0 0 66 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.424 34.2 167.6 -79.3 80.4 21.4 47.3 13.4 17 26 A F - 0 0 8 -2,-2.0 2,-0.6 32,-0.1 32,-0.3 -0.728 23.4-154.4 -94.0 130.3 20.7 43.7 14.5 18 27 A D > - 0 0 48 -2,-0.4 3,-0.5 3,-0.2 -2,-0.0 -0.913 2.6-165.2-103.1 117.0 23.4 41.0 14.0 19 28 A M T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.2 14,-0.0 0.566 89.6 48.9 -76.8 -13.4 21.8 37.5 13.7 20 29 A Y T 3 S+ 0 0 42 1,-0.2 364,-0.4 366,-0.0 -1,-0.2 0.559 129.2 17.5 -99.1 -14.5 25.1 35.8 14.2 21 30 A N S < S- 0 0 112 -3,-0.5 -3,-0.2 362,-0.1 -1,-0.2 -0.489 75.8-169.7-158.0 74.6 26.1 37.8 17.3 22 31 A P > - 0 0 3 0, 0.0 3,-1.4 0, 0.0 11,-0.1 -0.472 27.0-127.5 -70.1 145.5 23.3 39.6 19.0 23 32 A S T 3 S+ 0 0 127 1,-0.3 3,-0.3 9,-0.1 9,-0.0 0.685 106.1 51.1 -73.6 -15.8 24.3 42.1 21.7 24 33 A N T > S+ 0 0 79 8,-0.2 3,-1.6 1,-0.2 -1,-0.3 0.131 72.2 126.6-103.9 23.1 22.0 40.7 24.4 25 34 A L G X + 0 0 22 -3,-1.4 3,-1.6 1,-0.3 357,-0.3 0.720 59.5 66.0 -59.4 -30.1 23.2 37.1 23.9 26 35 A S G 3 S+ 0 0 113 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.820 93.6 60.5 -63.8 -31.0 24.2 36.5 27.6 27 36 A A G < S- 0 0 57 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.487 129.5 -73.7 -72.6 -2.3 20.5 36.7 28.7 28 37 A G <> - 0 0 8 -3,-1.6 4,-2.3 -4,-0.2 -1,-0.3 -0.129 41.9 -99.5 110.4 147.0 19.6 33.8 26.4 29 38 A V H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.884 121.1 49.9 -76.1 -34.6 19.3 33.6 22.6 30 39 A Q H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.873 113.2 48.6 -64.7 -39.5 15.5 33.9 22.5 31 40 A E H > S+ 0 0 59 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.889 108.5 53.7 -66.5 -40.8 15.7 36.9 24.8 32 41 A A H >< S+ 0 0 1 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.865 112.7 43.2 -63.5 -37.4 18.5 38.5 22.6 33 42 A W H >< S+ 0 0 0 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.825 102.0 69.6 -76.0 -27.5 16.2 38.1 19.5 34 43 A A H >< S+ 0 0 23 -4,-1.7 3,-1.9 1,-0.3 -1,-0.2 0.607 75.5 82.9 -71.6 -8.8 13.2 39.4 21.5 35 44 A V G X< S+ 0 0 26 -3,-0.5 3,-0.8 -4,-0.5 -1,-0.3 0.691 80.0 67.8 -66.2 -16.2 14.7 42.9 21.6 36 45 A L G < S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.494 94.6 58.7 -75.4 -7.5 13.3 43.4 18.1 37 46 A Q G < S+ 0 0 20 -3,-1.9 -1,-0.2 -4,-0.1 283,-0.2 0.115 79.7 116.0-116.2 25.1 9.8 43.3 19.6 38 47 A E S X S- 0 0 106 -3,-0.8 3,-0.7 4,-0.1 -3,-0.0 -0.218 81.0 -92.6 -86.1 179.6 10.0 46.2 22.1 39 48 A S T 3 S+ 0 0 122 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.790 119.1 52.3 -65.0 -34.2 8.0 49.4 22.1 40 49 A N T 3 S+ 0 0 110 2,-0.0 -1,-0.2 0, 0.0 -4,-0.1 0.741 92.9 85.2 -79.2 -19.4 10.5 51.5 20.1 41 50 A V S < S- 0 0 10 -3,-0.7 -28,-0.1 -6,-0.1 4,-0.1 -0.659 71.2-131.2 -99.0 131.5 10.9 49.1 17.1 42 51 A P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.152 30.5-102.0 -67.6 169.5 8.6 49.0 14.0 43 52 A D S S+ 0 0 52 1,-0.2 14,-2.3 13,-0.1 15,-0.6 0.671 111.0 31.9 -65.2 -19.7 7.1 45.8 12.5 44 53 A L E S+ B 0 56A 6 12,-0.2 2,-0.2 13,-0.1 12,-0.2 -0.935 75.5 176.3-148.7 114.8 9.8 45.8 9.7 45 54 A V E - B 0 55A 0 10,-2.2 10,-1.9 -2,-0.3 2,-0.5 -0.713 24.8-131.6-119.6 164.9 13.3 47.1 10.1 46 55 A W E -aB 14 54A 12 -33,-2.7 -31,-2.5 -2,-0.2 2,-0.4 -0.986 18.8-164.2-113.4 128.0 16.6 47.3 8.1 47 56 A T E - B 0 53A 0 6,-2.5 6,-1.8 -2,-0.5 -31,-0.2 -0.884 15.5-153.5-107.4 143.8 19.9 46.2 9.6 48 57 A R + 0 0 82 -2,-0.4 -45,-1.8 4,-0.2 3,-0.5 0.455 65.8 105.1 -90.2 -2.9 23.2 47.2 8.1 49 58 A C S > S+ 0 0 15 -32,-0.3 3,-1.7 1,-0.2 4,-0.1 -0.417 76.6 18.3 -78.3 153.0 24.9 44.1 9.5 50 59 A N T 3 S- 0 0 48 -49,-0.4 31,-0.3 1,-0.3 -1,-0.2 0.885 139.7 -46.8 57.3 46.4 25.8 41.1 7.4 51 60 A G T 3 S- 0 0 67 -3,-0.5 -1,-0.3 29,-0.1 -2,-0.1 0.158 105.5 -72.9 88.4 -22.5 25.7 42.9 4.1 52 61 A G < + 0 0 8 -3,-1.7 256,-0.3 1,-0.1 2,-0.3 0.463 64.8 157.9 102.7 122.0 22.4 44.5 4.8 53 62 A H E -B 47 0A 0 -6,-1.8 -6,-2.5 -4,-0.1 256,-0.2 -0.981 36.3 -98.1-162.6 166.7 18.8 43.1 4.9 54 63 A W E -Bc 46 309A 0 254,-2.6 256,-2.4 -2,-0.3 2,-0.3 -0.473 26.4-158.9 -84.3 159.8 15.3 43.5 6.2 55 64 A I E -Bc 45 310A 0 -10,-1.9 -10,-2.2 254,-0.2 2,-0.5 -0.956 8.8-149.8-138.5 124.9 13.8 41.8 9.2 56 65 A A E -B 44 0A 0 254,-2.1 -12,-0.2 -2,-0.3 -13,-0.1 -0.843 14.3-173.6 -85.6 133.7 10.1 41.2 9.9 57 66 A T + 0 0 0 -14,-2.3 2,-0.3 -2,-0.5 -13,-0.1 0.520 53.3 72.1-110.3 -7.2 9.6 41.2 13.6 58 67 A R S > S- 0 0 16 -15,-0.6 4,-1.8 1,-0.1 3,-0.2 -0.857 75.6-126.0-119.2 150.9 6.0 40.3 14.1 59 68 A G H > S+ 0 0 0 -2,-0.3 4,-2.1 256,-0.3 5,-0.2 0.800 107.5 57.7 -61.8 -32.9 4.1 37.0 13.6 60 69 A Q H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.938 110.5 41.6 -64.7 -46.6 1.5 38.6 11.3 61 70 A L H > S+ 0 0 2 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.819 113.1 53.8 -73.5 -30.7 4.1 39.8 8.7 62 71 A I H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.922 111.1 44.7 -71.8 -42.8 6.1 36.5 9.0 63 72 A R H X S+ 0 0 60 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.905 113.2 52.3 -65.1 -40.7 3.1 34.3 8.2 64 73 A E H X S+ 0 0 70 -4,-1.9 4,-1.5 -5,-0.2 3,-0.4 0.892 109.8 47.6 -62.4 -44.3 2.0 36.7 5.4 65 74 A A H < S+ 0 0 1 -4,-2.0 7,-0.2 1,-0.2 -1,-0.2 0.841 108.8 53.5 -70.2 -34.0 5.4 36.6 3.7 66 75 A Y H < S+ 0 0 10 -4,-1.7 279,-0.6 1,-0.2 -1,-0.2 0.648 108.3 51.2 -76.5 -16.9 5.7 32.8 3.9 67 76 A E H < S+ 0 0 120 -4,-1.0 2,-1.3 -3,-0.4 -2,-0.2 0.834 98.8 70.1 -83.1 -35.3 2.4 32.4 2.2 68 77 A D X + 0 0 40 -4,-1.5 4,-1.7 1,-0.2 3,-0.2 -0.627 51.2 160.9 -87.2 85.5 3.3 34.7 -0.7 69 78 A Y T 4 + 0 0 67 -2,-1.3 -1,-0.2 1,-0.2 5,-0.1 0.740 68.2 70.5 -75.9 -18.5 5.9 32.8 -2.7 70 79 A R T 4 S+ 0 0 179 1,-0.2 -1,-0.2 -3,-0.2 3,-0.1 0.901 114.6 21.6 -63.0 -47.4 5.3 35.0 -5.7 71 80 A H T 4 S+ 0 0 51 -3,-0.2 222,-2.0 1,-0.2 2,-0.7 0.777 126.8 52.2 -89.3 -32.1 6.9 38.1 -4.1 72 81 A F E < S-D 292 0A 1 -4,-1.7 2,-0.3 -7,-0.2 -1,-0.2 -0.901 79.1-162.7-116.1 102.0 9.1 36.3 -1.6 73 82 A S E > -D 291 0A 4 218,-3.1 218,-2.1 -2,-0.7 3,-0.6 -0.653 26.2-147.9 -95.2 149.1 11.2 33.6 -3.1 74 83 A S T 3 S+ 0 0 1 -2,-0.3 -1,-0.1 1,-0.2 215,-0.1 0.444 77.1 99.4 -83.6 -3.9 13.1 30.6 -1.6 75 84 A E T 3 S+ 0 0 128 1,-0.3 -1,-0.2 216,-0.1 215,-0.1 0.811 95.8 25.2 -56.4 -32.3 15.8 30.8 -4.3 76 85 A C S < S+ 0 0 10 -3,-0.6 -1,-0.3 1,-0.1 8,-0.2 -0.738 75.8 155.7-134.4 77.2 18.1 32.6 -1.9 77 86 A P + 0 0 0 0, 0.0 212,-2.0 0, 0.0 2,-0.3 0.587 45.8 75.4 -92.5 -11.7 17.1 31.7 1.6 78 87 A F S S- 0 0 17 210,-0.2 6,-0.5 3,-0.2 210,-0.1 -0.768 75.6-109.7-105.6 144.4 20.2 32.2 3.8 79 88 A I S S+ 0 0 1 -2,-0.3 2,-0.1 4,-0.1 -28,-0.1 -0.911 91.5 55.6-103.7 136.6 21.9 35.4 5.0 80 89 A P S >> S- 0 0 28 0, 0.0 4,-1.7 0, 0.0 3,-1.7 0.591 91.7-120.2 -77.5 172.9 24.6 36.6 4.1 81 90 A R H 3> S+ 0 0 91 -31,-0.3 4,-1.9 1,-0.3 -3,-0.2 0.786 108.8 53.1 -54.4 -41.6 23.9 36.9 0.4 82 91 A E H 3> S+ 0 0 133 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.741 107.9 51.3 -73.7 -22.0 26.7 34.7 -0.8 83 92 A A H <> S+ 0 0 7 -3,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.896 111.2 49.2 -74.6 -38.7 25.6 31.8 1.5 84 93 A G H < S+ 0 0 0 -4,-1.7 -2,-0.2 -6,-0.5 -1,-0.2 0.787 110.1 50.6 -70.9 -29.6 22.1 32.2 0.0 85 94 A E H < S+ 0 0 135 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.903 110.7 48.1 -73.0 -40.8 23.4 32.2 -3.6 86 95 A A H < S+ 0 0 22 -4,-1.5 2,-0.4 -5,-0.2 -2,-0.2 0.724 89.2 104.6 -71.1 -19.7 25.4 29.0 -3.0 87 96 A Y < + 0 0 15 -4,-1.1 -9,-0.1 1,-0.1 98,-0.0 -0.478 31.2 150.0 -72.3 119.5 22.4 27.3 -1.3 88 97 A D + 0 0 40 -2,-0.4 -1,-0.1 -12,-0.1 143,-0.1 0.162 17.1 146.0-139.3 23.5 20.8 24.8 -3.7 89 98 A F > - 0 0 3 1,-0.1 4,-2.4 3,-0.1 143,-0.2 -0.227 50.1 -89.7 -64.8 150.6 19.2 22.1 -1.4 90 99 A I T 4 S- 0 0 0 141,-1.6 145,-0.2 1,-0.3 -1,-0.1 -0.911 97.9 -1.2-114.9 130.9 16.0 20.3 -2.5 91 100 A P T >4 S+ 0 0 11 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 -0.976 123.9 65.1 -98.3 9.7 13.2 21.1 -1.9 92 101 A T T 34 S+ 0 0 30 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.743 98.0 54.3 -71.6 -21.0 14.0 24.2 0.2 93 102 A S T 3< S+ 0 0 11 -4,-2.4 2,-0.3 -5,-0.1 -1,-0.3 0.445 99.4 76.6 -91.0 1.5 15.7 26.2 -2.7 94 103 A M < - 0 0 15 -3,-1.5 -6,-0.0 -5,-0.2 -5,-0.0 -0.817 66.5-143.1-112.5 151.0 12.7 26.0 -5.0 95 104 A D > - 0 0 31 -2,-0.3 4,-1.4 1,-0.1 3,-0.4 -0.653 44.4 -57.3 -93.3 161.3 9.3 27.7 -5.1 96 105 A P T 4 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.492 110.4 41.6 -57.9 143.8 6.0 26.2 -6.1 97 106 A P T >4 S+ 0 0 109 0, 0.0 3,-0.7 0, 0.0 4,-0.4 -0.961 124.0 35.7 -90.6 -19.3 5.0 24.8 -8.5 98 107 A E T >4 S+ 0 0 102 -3,-0.4 3,-0.5 1,-0.2 4,-0.4 0.724 109.0 61.9 -74.0 -20.8 8.2 22.7 -9.1 99 108 A Q T >X S+ 0 0 1 -4,-1.4 3,-1.5 1,-0.2 4,-0.8 0.872 88.1 75.1 -69.8 -29.0 9.2 22.1 -5.4 100 109 A R H <> S+ 0 0 129 -3,-0.7 4,-0.8 1,-0.3 3,-0.5 0.746 87.5 57.4 -59.8 -33.1 6.0 20.1 -4.7 101 110 A Q H <> S+ 0 0 44 -3,-0.5 4,-0.6 -4,-0.4 119,-0.3 0.792 103.1 53.4 -71.6 -27.5 7.0 17.0 -6.6 102 111 A F H <> S+ 0 0 1 -3,-1.5 4,-1.9 -4,-0.4 -1,-0.2 0.711 96.6 69.2 -79.7 -17.8 10.1 16.5 -4.5 103 112 A R H X S+ 0 0 62 -4,-0.8 4,-2.0 -3,-0.5 -1,-0.2 0.894 94.0 53.9 -68.1 -39.7 8.1 16.7 -1.2 104 113 A A H < S+ 0 0 64 -4,-0.8 4,-0.2 1,-0.2 -1,-0.2 0.825 110.1 48.1 -66.5 -31.4 6.3 13.4 -1.7 105 114 A L H >< S+ 0 0 2 -4,-0.6 3,-1.6 2,-0.2 4,-0.5 0.923 110.1 49.3 -75.1 -46.6 9.6 11.5 -2.2 106 115 A A H >X S+ 0 0 3 -4,-1.9 4,-1.5 1,-0.3 3,-1.3 0.865 105.2 62.0 -58.8 -32.6 11.3 13.1 0.9 107 116 A N H 3X S+ 0 0 64 -4,-2.0 4,-0.9 1,-0.3 7,-0.3 0.625 92.1 65.3 -69.0 -15.2 8.2 12.1 2.8 108 117 A Q H <4 S+ 0 0 111 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.697 110.7 34.7 -77.6 -22.5 8.9 8.4 2.0 109 118 A V H <4 S+ 0 0 2 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.1 0.674 134.1 20.7-106.0 -25.4 12.0 8.4 4.1 110 119 A V H < S+ 0 0 14 -4,-1.5 243,-0.4 100,-0.1 -3,-0.2 0.351 98.7 107.3-125.5 3.6 11.2 10.8 7.0 111 120 A G S >X S- 0 0 0 -4,-0.9 4,-1.4 -5,-0.3 3,-0.8 -0.043 85.2 -76.3 -80.2-172.3 7.4 10.8 7.1 112 121 A M H 3> S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.795 122.9 50.7 -58.6 -42.1 4.9 9.3 9.5 113 122 A P H 3> S+ 0 0 89 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.835 109.1 52.2 -74.3 -22.9 5.0 5.6 8.5 114 123 A V H <> S+ 0 0 20 -3,-0.8 4,-2.1 -7,-0.3 -2,-0.2 0.814 106.9 54.7 -74.4 -29.6 8.8 5.5 8.7 115 124 A V H X S+ 0 0 4 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.940 107.2 49.2 -64.9 -49.3 8.4 7.0 12.2 116 125 A D H < S+ 0 0 112 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.878 110.8 52.2 -53.5 -40.9 6.1 4.1 13.1 117 126 A K H < S+ 0 0 168 -4,-1.6 3,-0.5 1,-0.2 -2,-0.2 0.913 115.5 39.5 -62.8 -42.4 8.7 1.8 11.7 118 127 A L H >X S+ 0 0 18 -4,-2.1 4,-2.0 1,-0.2 3,-1.5 0.620 85.8 99.8 -82.6 -16.2 11.5 3.2 13.8 119 128 A E H 3X S+ 0 0 57 -4,-1.6 4,-1.9 1,-0.3 -1,-0.2 0.758 81.1 52.5 -49.5 -31.5 9.5 3.7 17.0 120 129 A N H 3> S+ 0 0 133 -3,-0.5 4,-2.2 -4,-0.3 -1,-0.3 0.855 112.0 43.9 -73.9 -35.9 10.9 0.5 18.6 121 130 A R H <> S+ 0 0 132 -3,-1.5 4,-1.9 -4,-0.2 -2,-0.2 0.764 110.7 55.0 -78.6 -29.9 14.5 1.5 18.0 122 131 A I H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.929 111.5 45.9 -68.7 -39.8 13.9 5.1 19.2 123 132 A Q H X S+ 0 0 74 -4,-1.9 4,-1.9 -5,-0.3 5,-0.2 0.969 112.9 49.9 -61.0 -57.6 12.5 3.6 22.4 124 133 A E H X S+ 0 0 130 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.808 111.1 48.1 -47.2 -48.4 15.4 1.1 22.8 125 134 A L H X S+ 0 0 27 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.875 108.6 51.8 -72.7 -40.9 18.1 3.7 22.3 126 135 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.977 112.1 45.6 -57.5 -55.3 16.8 6.4 24.7 127 136 A C H X S+ 0 0 23 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.842 112.9 51.8 -58.9 -37.1 16.5 3.9 27.6 128 137 A S H X S+ 0 0 68 -4,-1.5 4,-1.0 -5,-0.2 -1,-0.2 0.887 112.1 44.4 -67.9 -41.0 20.0 2.4 26.9 129 138 A L H X S+ 0 0 28 -4,-2.1 4,-1.2 -3,-0.2 -2,-0.2 0.907 116.7 45.2 -72.5 -41.5 21.7 5.8 26.9 130 139 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.4 0.927 109.9 53.5 -71.6 -42.2 19.9 7.1 30.0 131 140 A E H < S+ 0 0 61 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.781 108.8 52.8 -64.0 -23.8 20.4 3.9 32.0 132 141 A S H < S+ 0 0 74 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.822 113.8 40.2 -76.3 -35.1 24.1 4.2 31.2 133 142 A L H >X S+ 0 0 15 -4,-1.2 3,-1.0 -3,-0.4 4,-0.6 0.708 97.6 84.2 -84.3 -19.4 24.4 7.8 32.5 134 143 A R G >< S+ 0 0 37 -4,-1.9 3,-0.8 1,-0.3 -1,-0.1 0.860 88.3 44.1 -61.7 -47.2 22.1 7.1 35.5 135 144 A P G 34 S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.729 101.9 73.8 -68.8 -14.9 24.6 5.7 38.1 136 145 A Q G <4 S- 0 0 118 -3,-1.0 -2,-0.2 -4,-0.2 -3,-0.1 0.720 86.3-143.8 -73.7 -30.2 27.2 8.4 37.2 137 146 A G S << S+ 0 0 9 -3,-0.8 260,-2.4 -4,-0.6 2,-0.3 0.336 72.1 45.5 82.7 -5.9 25.5 11.3 38.9 138 147 A Q E +F 396 0B 121 -5,-0.4 2,-0.3 258,-0.2 258,-0.2 -0.991 53.9 169.6-162.5 157.8 26.5 13.8 36.1 139 148 A C E -F 395 0B 10 256,-1.4 256,-2.7 -2,-0.3 2,-1.0 -0.972 41.6-117.3-163.3 151.6 26.8 14.4 32.3 140 149 A N E > -F 394 0B 35 -2,-0.3 4,-2.9 254,-0.2 5,-0.3 -0.908 38.7-156.7 -85.7 101.1 27.6 17.0 29.7 141 150 A F H >>S+ 0 0 0 252,-2.7 5,-2.5 -2,-1.0 4,-2.3 0.822 83.8 54.6 -54.5 -38.2 24.1 16.7 28.3 142 151 A T H 4>S+ 0 0 12 1,-0.2 5,-1.8 3,-0.2 -1,-0.2 0.978 118.9 33.2 -62.2 -49.7 24.9 18.0 24.8 143 152 A E H 45S+ 0 0 118 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.852 123.8 44.6 -70.1 -40.0 27.8 15.5 24.3 144 153 A D H <5S- 0 0 54 -4,-2.9 -3,-0.2 3,-0.1 -2,-0.2 0.794 135.0 -7.3 -88.7 -27.7 26.3 12.6 26.2 145 154 A Y T X5S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -3,-0.2 0.656 119.9 62.6-130.9 -50.6 22.6 12.5 25.0 146 155 A A T 4 S+ 0 0 35 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.829 108.5 58.0 -60.3 -34.8 24.2 10.7 20.1 149 158 A F H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 -3,-0.1 0.962 115.2 28.6 -69.1 -53.6 20.4 10.2 20.3 150 159 A P H > S+ 0 0 3 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.934 122.7 51.7 -70.9 -39.3 19.1 11.9 17.2 151 160 A I H X S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.897 107.2 50.2 -67.7 -43.4 22.2 11.4 15.1 152 161 A R H X S+ 0 0 88 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.842 109.9 52.6 -63.7 -33.1 22.6 7.6 15.7 153 162 A I H X S+ 0 0 9 -4,-1.0 4,-2.2 -5,-0.3 -1,-0.2 0.893 110.6 47.4 -69.6 -39.3 18.9 7.2 14.7 154 163 A F H X S+ 0 0 14 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.898 109.5 51.8 -68.9 -38.9 19.5 9.2 11.5 155 164 A M H <>S+ 0 0 2 -4,-2.5 5,-1.9 1,-0.2 4,-0.4 0.815 111.5 48.9 -68.5 -30.5 22.7 7.2 10.6 156 165 A L H ><5S+ 0 0 86 -4,-1.5 3,-0.6 -5,-0.2 -1,-0.2 0.914 112.7 47.8 -67.7 -47.5 20.7 4.0 11.1 157 166 A L H 3<5S+ 0 0 20 -4,-2.2 53,-2.6 1,-0.2 -2,-0.2 0.912 119.7 38.2 -61.1 -40.2 17.9 5.4 8.9 158 167 A A T 3<5S- 0 0 1 -4,-2.8 53,-0.3 51,-0.2 -1,-0.2 0.385 106.6-124.4 -97.1 -0.2 20.3 6.5 6.2 159 168 A G T < 5 + 0 0 31 -3,-0.6 -3,-0.2 -4,-0.4 -4,-0.1 0.835 59.4 141.4 61.0 37.7 22.6 3.5 6.4 160 169 A L < - 0 0 11 -5,-1.9 -1,-0.2 -6,-0.1 2,-0.2 -0.775 56.6 -97.0-105.3 152.3 25.9 5.4 7.0 161 170 A P > - 0 0 59 0, 0.0 3,-1.6 0, 0.0 4,-0.1 -0.500 21.8-133.0 -69.7 145.2 28.7 4.3 9.5 162 171 A E G > S+ 0 0 96 1,-0.3 3,-1.8 -2,-0.2 -7,-0.0 0.770 101.1 69.9 -71.0 -29.4 28.8 5.8 13.0 163 172 A E G 3 S+ 0 0 160 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.613 90.6 64.9 -59.9 -14.2 32.5 6.6 12.8 164 173 A D G <> S+ 0 0 39 -3,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.492 74.1 94.3 -88.6 -3.5 31.6 9.3 10.2 165 174 A I H <> S+ 0 0 36 -3,-1.8 4,-3.0 1,-0.2 5,-0.3 0.895 78.2 53.6 -63.3 -44.7 29.6 11.4 12.7 166 175 A P H > S+ 0 0 94 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.889 111.8 45.3 -55.7 -46.3 32.4 13.8 13.7 167 176 A H H > S+ 0 0 101 -4,-0.3 4,-1.7 -3,-0.2 -2,-0.2 0.966 117.3 43.9 -63.0 -48.0 33.3 14.8 10.2 168 177 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.868 111.4 52.9 -68.5 -37.8 29.7 15.3 9.1 169 178 A K H X S+ 0 0 17 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.917 108.0 51.8 -67.0 -39.6 28.6 17.2 12.3 170 179 A Y H X S+ 0 0 92 -4,-1.8 4,-1.1 -5,-0.3 -1,-0.2 0.910 110.3 47.3 -60.0 -48.3 31.4 19.7 11.8 171 180 A L H >X S+ 0 0 2 -4,-1.7 4,-0.8 1,-0.2 3,-0.5 0.909 110.6 52.7 -63.5 -41.3 30.5 20.5 8.2 172 181 A T H >X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 3,-0.8 0.894 106.3 53.4 -60.2 -42.1 26.8 20.8 9.1 173 182 A D H 3X S+ 0 0 31 -4,-2.0 4,-3.0 1,-0.3 -1,-0.2 0.756 100.3 60.9 -69.8 -24.7 27.6 23.3 11.8 174 183 A Q H << S+ 0 0 10 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.789 103.6 51.5 -73.7 -23.3 29.6 25.6 9.5 175 184 A M H << S+ 0 0 6 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.806 122.6 28.7 -79.9 -29.6 26.5 26.0 7.4 176 185 A T H < S+ 0 0 4 -4,-1.0 210,-2.4 1,-0.2 211,-0.3 0.837 137.7 16.5-101.0 -41.9 24.3 27.1 10.3 177 186 A R S < S- 0 0 20 -4,-3.0 -1,-0.2 208,-0.2 -2,-0.1 -0.647 82.1-159.8-133.3 75.8 26.7 28.7 12.8 178 187 A P - 0 0 62 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.274 18.9-167.0 -68.2 141.6 30.0 29.6 11.0 179 188 A D - 0 0 106 3,-0.1 -5,-0.1 -2,-0.0 -6,-0.0 0.311 52.8-104.8-100.8 1.3 33.3 30.1 12.8 180 189 A G S S+ 0 0 68 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.394 97.1 102.7 96.5 -0.6 35.0 31.6 9.8 181 190 A S S S+ 0 0 70 1,-0.2 2,-0.4 2,-0.0 -7,-0.0 0.670 88.1 29.8 -86.7 -25.0 37.2 28.7 8.8 182 191 A M S S- 0 0 55 -8,-0.1 -2,-0.4 -11,-0.0 2,-0.2 -0.995 76.3-131.9-132.5 142.0 34.9 27.6 5.9 183 192 A T > - 0 0 77 -2,-0.4 4,-2.3 1,-0.1 3,-0.2 -0.580 35.1-108.1 -81.7 158.3 32.6 29.6 3.7 184 193 A F H > S+ 0 0 19 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.913 121.9 54.1 -51.8 -42.6 29.1 28.2 3.2 185 194 A A H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 108.4 47.8 -61.1 -41.1 30.1 27.2 -0.3 186 195 A E H > S+ 0 0 97 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.881 112.0 49.4 -70.1 -36.6 33.1 25.2 0.9 187 196 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.917 112.8 47.4 -65.2 -44.3 31.1 23.4 3.5 188 197 A K H X S+ 0 0 31 -4,-2.4 4,-2.0 1,-0.2 3,-0.2 0.920 110.8 50.6 -64.8 -44.4 28.4 22.4 1.1 189 198 A E H X S+ 0 0 137 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.805 109.0 52.2 -66.4 -31.0 30.8 21.2 -1.6 190 199 A A H X S+ 0 0 26 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.801 107.5 51.5 -76.6 -30.0 32.6 19.0 1.0 191 200 A L H X S+ 0 0 0 -4,-1.4 4,-1.7 -3,-0.2 -2,-0.2 0.885 111.1 48.9 -70.7 -36.3 29.3 17.5 2.0 192 201 A Y H X S+ 0 0 13 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.911 103.8 59.0 -68.6 -41.3 28.6 16.7 -1.6 193 202 A D H < S+ 0 0 127 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.837 108.8 47.1 -54.4 -33.6 32.1 15.2 -2.1 194 203 A Y H X S+ 0 0 36 -4,-1.0 4,-0.6 -3,-0.1 -1,-0.2 0.911 115.6 43.6 -73.5 -42.5 31.1 12.7 0.7 195 204 A L H >X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 3,-0.6 0.830 95.8 71.3 -76.7 -39.7 27.7 11.8 -0.8 196 205 A I H 3X S+ 0 0 71 -4,-2.6 4,-2.6 1,-0.3 5,-0.3 0.928 99.8 46.2 -51.9 -52.4 28.4 11.4 -4.5 197 206 A P H 3> S+ 0 0 81 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.836 115.7 48.3 -56.1 -33.5 30.3 8.1 -4.3 198 207 A I H X S+ 0 0 93 -4,-2.6 4,-1.1 -5,-0.3 3,-0.7 0.901 110.5 52.9 -66.5 -37.9 26.4 6.1 -7.1 201 210 A Q H 3X S+ 0 0 69 -4,-1.7 4,-1.6 -5,-0.3 3,-0.4 0.891 110.4 45.1 -66.8 -40.4 27.1 3.0 -5.1 202 211 A R H 3< S+ 0 0 27 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.451 105.8 61.7 -90.1 2.0 23.4 2.6 -4.0 203 212 A R H << S+ 0 0 77 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.679 112.1 37.5 -91.2 -23.8 22.2 3.3 -7.5 204 213 A Q H < S+ 0 0 147 -4,-1.1 -2,-0.2 -3,-0.4 -3,-0.1 0.721 133.4 27.5 -92.2 -26.0 24.1 0.2 -8.8 205 214 A K S < S- 0 0 124 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.687 84.9-157.5-137.3 84.6 23.3 -1.8 -5.6 206 215 A P + 0 0 81 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.326 12.9 178.7 -68.7 133.8 20.0 -0.7 -3.9 207 216 A G - 0 0 39 -5,-0.2 -48,-0.0 2,-0.1 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-0.269 57.8-129.2 -95.5 179.7 13.1 7.3 -6.5 218 227 A Q E -H 223 0C 132 5,-0.2 2,-0.6 -2,-0.1 4,-0.1 -0.985 4.7-151.8-133.6 133.8 10.7 9.0 -8.9 219 228 A V E > S-H 222 0C 2 3,-2.2 3,-1.0 -2,-0.4 -117,-0.1 -0.927 81.9 -29.4-111.3 114.2 9.3 12.5 -9.0 220 229 A N T 3 S- 0 0 143 -2,-0.6 2,-0.4 -119,-0.3 -1,-0.2 0.834 128.1 -45.8 45.0 45.1 5.9 12.8 -10.6 221 230 A G T 3 S+ 0 0 54 1,-0.3 -1,-0.3 -3,-0.0 0, 0.0 -0.470 116.5 100.2 107.8 -56.7 6.7 9.9 -12.8 222 231 A R E < S-H 219 0C 90 -3,-1.0 -3,-2.2 -2,-0.4 -1,-0.3 -0.203 78.8-102.4 -72.6 147.9 10.2 10.6 -14.1 223 232 A P E -H 218 0C 97 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.453 39.8-114.2 -62.9 142.1 13.4 9.0 -12.6 224 233 A I - 0 0 2 -7,-2.0 2,-0.1 -10,-0.1 -6,-0.0 -0.581 29.5-123.2 -81.9 137.8 15.3 11.3 -10.3 225 234 A T > - 0 0 65 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.334 19.3-113.9 -77.6 159.4 18.8 12.4 -11.5 226 235 A S H > S+ 0 0 46 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.833 117.2 54.1 -60.2 -31.8 22.0 11.9 -9.5 227 236 A D H > S+ 0 0 81 2,-0.2 4,-1.8 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