==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-OCT-10 3P6P . COMPND 2 MOLECULE: CAMPHOR 5-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR Y.-T.LEE,R.F.WILSON,E.C GLAZER,D.B.GOODIN . 407 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 68.3 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 7.6 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 . 16 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 38.1 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 1 0 4 0 0 2 0 2 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 8 A N 0 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 103.0 -26.2 -40.7 33.6 2 9 A A - 0 0 78 2,-0.1 0, 0.0 1,-0.0 0, 0.0 0.092 360.0-101.7 -75.4 24.0 -25.1 -39.5 30.2 3 10 A N S S+ 0 0 118 1,-0.2 2,-0.5 48,-0.1 49,-0.5 0.916 71.7 154.5 37.6 57.8 -22.3 -37.8 32.3 4 11 A L - 0 0 54 47,-0.1 47,-0.2 48,-0.1 -1,-0.2 -0.952 42.5-125.0-102.3 125.9 -24.0 -34.4 32.2 5 12 A A - 0 0 23 45,-3.0 2,-0.1 -2,-0.5 49,-0.0 -0.373 35.0 -89.7 -70.2 145.8 -23.0 -32.2 35.2 6 13 A P - 0 0 118 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.346 49.1-105.8 -56.8 130.3 -25.8 -30.7 37.3 7 14 A L - 0 0 40 -3,-0.1 6,-0.1 1,-0.1 47,-0.0 -0.406 34.2-122.7 -60.9 116.0 -26.8 -27.3 36.0 8 15 A P > - 0 0 33 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.339 21.5-119.0 -58.9 144.0 -25.4 -24.6 38.3 9 16 A P T 3 S+ 0 0 138 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.742 109.8 61.1 -59.7 -25.9 -28.2 -22.3 39.6 10 17 A H T 3 S+ 0 0 50 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.632 87.6 87.1 -75.1 -12.2 -26.7 -19.2 38.1 11 18 A V S < S- 0 0 6 -3,-1.7 2,-0.2 292,-0.1 294,-0.0 -0.798 77.3-136.1 -94.3 119.7 -27.1 -20.6 34.6 12 19 A P > - 0 0 51 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.494 15.1-126.0 -74.2 140.2 -30.5 -20.1 32.9 13 20 A E G > S+ 0 0 140 1,-0.3 3,-2.2 -2,-0.2 35,-0.1 0.810 103.4 67.6 -56.7 -34.2 -32.0 -23.1 31.1 14 21 A H G 3 S+ 0 0 147 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.680 98.5 54.0 -63.8 -18.8 -32.5 -21.3 27.8 15 22 A L G < S+ 0 0 12 -3,-1.8 33,-2.9 32,-0.1 2,-0.5 0.406 81.7 116.6 -90.8 0.6 -28.7 -21.0 27.4 16 23 A V B < +a 48 0A 35 -3,-2.2 2,-0.3 31,-0.2 33,-0.2 -0.603 28.1 159.0 -80.8 122.9 -28.1 -24.8 27.8 17 24 A F - 0 0 72 31,-3.2 2,-2.3 -2,-0.5 30,-0.1 -0.893 32.9-144.5-142.0 106.2 -26.7 -26.6 24.8 18 25 A D + 0 0 60 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.383 32.9 164.8 -80.5 67.1 -25.0 -29.9 25.6 19 26 A F - 0 0 6 -2,-2.3 2,-0.7 32,-0.1 32,-0.3 -0.697 27.3-148.9 -82.4 133.7 -22.2 -29.8 23.1 20 27 A D > - 0 0 41 -2,-0.4 3,-1.3 3,-0.2 -2,-0.1 -0.889 5.5-164.2-106.8 103.8 -19.4 -32.4 23.8 21 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.666 89.8 48.8 -62.2 -20.0 -16.0 -31.0 22.6 22 29 A Y T 3 S+ 0 0 82 1,-0.2 364,-0.5 365,-0.0 -1,-0.3 0.577 129.9 17.1 -94.2 -13.1 -14.4 -34.5 22.8 23 30 A N S < S- 0 0 107 -3,-1.3 -1,-0.2 362,-0.1 -3,-0.2 -0.379 78.1-168.7-154.8 67.7 -17.1 -36.3 20.9 24 31 A P > - 0 0 2 0, 0.0 3,-1.8 0, 0.0 11,-0.1 -0.392 28.5-123.6 -69.4 139.3 -19.4 -33.8 19.0 25 32 A S T 3 S+ 0 0 125 1,-0.3 3,-0.3 9,-0.1 9,-0.0 0.727 106.9 49.2 -58.9 -26.0 -22.5 -35.5 17.6 26 33 A N T > S+ 0 0 73 8,-0.2 3,-1.9 1,-0.2 -1,-0.3 0.165 72.1 127.0 -98.9 21.9 -22.0 -34.6 14.0 27 34 A L G X + 0 0 33 -3,-1.8 3,-2.5 1,-0.3 7,-0.2 0.797 62.5 62.0 -52.9 -43.2 -18.3 -35.8 13.8 28 35 A S G 3 S+ 0 0 122 1,-0.3 -1,-0.3 -3,-0.3 3,-0.1 0.744 98.1 59.8 -59.0 -25.0 -18.6 -38.1 10.7 29 36 A A G < S- 0 0 50 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.412 131.1 -73.1 -78.9 -1.6 -19.6 -35.0 8.6 30 37 A G <> - 0 0 8 -3,-2.5 4,-2.5 -4,-0.2 -1,-0.3 -0.041 39.0-104.3 114.5 142.7 -16.3 -33.4 9.5 31 38 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.940 120.1 48.0 -69.1 -44.4 -15.0 -31.8 12.7 32 39 A Q H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 114.6 48.5 -56.2 -46.5 -15.3 -28.1 11.6 33 40 A E H > S+ 0 0 63 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.894 109.9 52.8 -56.4 -43.6 -18.9 -29.0 10.4 34 41 A A H >< S+ 0 0 1 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.872 113.8 41.6 -65.2 -38.7 -19.5 -30.7 13.7 35 42 A W H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 -1,-0.2 0.811 101.8 70.1 -74.8 -31.0 -18.5 -27.6 15.6 36 43 A A H >< S+ 0 0 22 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.628 76.3 81.9 -69.1 -10.0 -20.3 -25.2 13.3 37 44 A V G X< S+ 0 0 25 -4,-0.6 3,-0.9 -3,-0.5 -1,-0.3 0.690 81.3 67.1 -60.5 -21.3 -23.6 -26.5 14.6 38 45 A L G < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.511 96.1 56.8 -73.7 -8.1 -23.0 -24.0 17.5 39 46 A Q G < S+ 0 0 20 -3,-1.9 -1,-0.2 -4,-0.1 -2,-0.2 0.313 75.4 121.9-109.3 7.6 -23.4 -21.3 14.8 40 47 A E S X S- 0 0 109 -3,-0.9 3,-2.1 1,-0.1 -3,-0.0 -0.355 78.4-103.3 -69.1 156.3 -26.9 -22.2 13.6 41 48 A S T 3 S+ 0 0 121 1,-0.3 -1,-0.1 -2,-0.0 -3,-0.0 0.649 116.6 54.3 -66.8 -22.8 -29.5 -19.4 14.0 42 49 A N T 3 S+ 0 0 134 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.288 88.6 95.7 -90.6 9.5 -31.3 -20.7 17.1 43 50 A V S < S- 0 0 9 -3,-2.1 -28,-0.1 16,-0.0 4,-0.1 -0.902 75.8-127.8-102.4 123.3 -28.0 -21.0 19.1 44 51 A P - 0 0 46 0, 0.0 15,-0.1 0, 0.0 3,-0.1 -0.126 23.7-109.2 -59.5 161.7 -27.2 -18.0 21.3 45 52 A D S S+ 0 0 54 1,-0.2 14,-3.0 256,-0.1 15,-0.6 0.764 109.8 32.4 -63.2 -28.3 -23.8 -16.3 21.1 46 53 A L E S+ B 0 58A 5 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.994 78.4 175.5-136.5 122.7 -22.8 -17.7 24.5 47 54 A V E - B 0 57A 1 10,-2.7 10,-2.6 -2,-0.4 2,-0.5 -0.837 25.4-130.6-127.6 161.9 -24.1 -21.1 25.7 48 55 A W E -aB 16 56A 8 -33,-2.9 -31,-3.2 -2,-0.3 2,-0.4 -0.966 18.4-164.2-111.8 128.5 -23.7 -23.5 28.6 49 56 A T E - B 0 55A 0 6,-2.6 6,-2.1 -2,-0.5 -31,-0.2 -0.944 14.8-154.6-108.0 138.9 -22.9 -27.2 28.1 50 57 A R > + 0 0 68 -2,-0.4 -45,-3.0 4,-0.2 3,-0.5 0.493 65.3 104.5 -85.9 -2.5 -23.3 -29.7 30.8 51 58 A C G > S+ 0 0 11 -32,-0.3 3,-2.3 -47,-0.2 -47,-0.1 -0.334 77.7 18.4 -73.1 159.1 -20.7 -32.1 29.2 52 59 A N G 3 S- 0 0 42 -49,-0.5 31,-0.3 1,-0.3 -1,-0.2 0.814 141.8 -45.4 53.4 40.0 -17.2 -32.5 30.6 53 60 A G G < S- 0 0 62 -3,-0.5 -1,-0.3 -50,-0.3 -2,-0.1 0.203 104.7 -73.3 92.6 -15.4 -18.0 -31.0 34.0 54 61 A G < + 0 0 4 -3,-2.3 256,-0.3 1,-0.1 2,-0.3 0.392 64.3 163.4 95.6 128.4 -20.0 -28.1 32.7 55 62 A H E -B 49 0A 0 -6,-2.1 -6,-2.6 254,-0.1 256,-0.2 -0.970 35.7-101.9-170.5 153.8 -18.6 -24.9 31.0 56 63 A W E -Bc 48 311A 0 254,-2.7 256,-3.3 -2,-0.3 2,-0.4 -0.462 27.7-156.7 -76.6 157.7 -19.6 -21.9 28.9 57 64 A I E -Bc 47 312A 0 -10,-2.6 -10,-2.7 254,-0.2 2,-0.5 -0.968 8.8-148.5-137.1 125.7 -18.9 -21.8 25.1 58 65 A A E -B 46 0A 0 254,-2.1 -12,-0.2 -2,-0.4 259,-0.1 -0.822 16.3-173.6 -86.9 124.7 -18.6 -18.6 23.1 59 66 A T + 0 0 0 -14,-3.0 2,-0.4 -2,-0.5 -13,-0.1 0.511 54.4 63.5-104.0 -9.7 -19.9 -19.5 19.6 60 67 A R S > S- 0 0 5 -15,-0.6 4,-2.3 1,-0.1 3,-0.4 -0.927 78.8-120.6-124.3 147.3 -19.2 -16.3 17.6 61 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.7 257,-0.3 5,-0.3 0.840 109.2 59.5 -46.3 -48.2 -16.1 -14.5 16.5 62 69 A Q H > S+ 0 0 118 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 112.6 38.2 -49.6 -52.4 -17.1 -11.2 18.3 63 70 A L H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.872 113.9 55.2 -70.0 -41.3 -17.3 -12.9 21.7 64 71 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.944 112.2 42.6 -55.6 -52.9 -14.3 -15.1 21.2 65 72 A R H X S+ 0 0 59 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.923 114.0 52.3 -58.9 -46.7 -12.0 -12.2 20.3 66 73 A E H X S+ 0 0 65 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.939 111.2 45.3 -60.8 -47.1 -13.4 -10.1 23.2 67 74 A A H < S+ 0 0 0 -4,-2.8 7,-0.2 1,-0.2 -1,-0.2 0.900 111.0 53.5 -64.1 -39.6 -12.8 -12.7 25.8 68 75 A Y H < S+ 0 0 3 -4,-2.2 279,-0.5 -5,-0.2 280,-0.2 0.822 110.3 48.8 -64.5 -28.7 -9.3 -13.4 24.5 69 76 A E H < S+ 0 0 107 -4,-1.9 2,-1.6 1,-0.2 -1,-0.2 0.867 99.9 68.9 -73.1 -36.2 -8.5 -9.7 24.8 70 77 A D >X + 0 0 40 -4,-1.8 4,-2.3 1,-0.2 3,-0.7 -0.547 52.3 159.1 -91.0 73.7 -9.9 -9.4 28.4 71 78 A Y T 34 + 0 0 67 -2,-1.6 -1,-0.2 1,-0.2 5,-0.1 0.704 68.0 69.5 -69.3 -18.3 -7.3 -11.4 30.4 72 79 A R T 34 S+ 0 0 188 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.868 115.5 24.0 -68.3 -35.1 -8.4 -9.6 33.6 73 80 A H T <4 S+ 0 0 52 -3,-0.7 222,-1.9 1,-0.2 2,-0.7 0.762 127.2 49.6 -92.3 -31.0 -11.8 -11.4 33.5 74 81 A F E < S-D 294 0A 0 -4,-2.3 220,-0.2 -7,-0.2 2,-0.2 -0.855 80.1-165.1-118.4 93.7 -10.8 -14.5 31.5 75 82 A S E > -D 293 0A 5 218,-3.2 218,-2.2 -2,-0.7 3,-0.6 -0.543 25.7-145.9 -87.0 145.6 -7.6 -16.0 33.0 76 83 A S T 3 S+ 0 0 1 -2,-0.2 -1,-0.1 1,-0.2 215,-0.1 0.424 77.5 101.2 -82.9 -1.2 -5.3 -18.5 31.4 77 84 A E T 3 S+ 0 0 137 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.857 97.7 23.7 -52.3 -35.9 -4.6 -20.1 34.8 78 85 A C S < S+ 0 0 6 -3,-0.6 -1,-0.3 1,-0.1 9,-0.2 -0.691 77.4 159.0-130.8 80.0 -7.0 -22.9 33.9 79 86 A P + 0 0 3 0, 0.0 212,-1.6 0, 0.0 2,-0.3 0.480 48.7 69.2 -90.0 -6.3 -7.1 -23.0 30.1 80 87 A F S S- 0 0 26 210,-0.2 6,-0.6 3,-0.2 7,-0.1 -0.883 75.8-107.6-117.5 149.6 -8.4 -26.6 29.4 81 88 A I S S+ 0 0 3 -2,-0.3 2,-0.2 4,-0.1 -28,-0.1 -0.925 93.8 55.4-104.7 135.4 -11.6 -28.5 29.9 82 89 A P S >> S- 0 0 43 0, 0.0 4,-1.9 0, 0.0 3,-1.0 0.530 88.3-128.2 -78.1 163.8 -12.1 -30.6 31.9 83 90 A R H 3> S+ 0 0 76 -31,-0.3 4,-2.9 1,-0.3 5,-0.2 0.813 105.0 58.7 -45.9 -41.7 -11.2 -28.6 35.0 84 91 A E H 3> S+ 0 0 126 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.864 108.1 45.7 -64.5 -36.7 -8.7 -31.2 36.3 85 92 A A H <> S+ 0 0 20 -3,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.895 113.3 49.6 -69.7 -43.9 -6.7 -31.0 33.1 86 93 A G H < S+ 0 0 0 -4,-1.9 -2,-0.2 -6,-0.6 -1,-0.2 0.907 111.3 50.2 -58.5 -43.7 -6.7 -27.2 33.2 87 94 A E H < S+ 0 0 128 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.913 111.6 46.7 -65.0 -44.1 -5.6 -27.2 36.9 88 95 A A H < S+ 0 0 32 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.2 0.744 89.8 104.2 -64.3 -28.4 -2.7 -29.6 36.3 89 96 A Y < + 0 0 20 -4,-1.4 -9,-0.1 1,-0.1 98,-0.0 -0.406 34.1 157.8 -68.5 120.8 -1.5 -27.6 33.2 90 97 A D + 0 0 38 -2,-0.3 -1,-0.1 -12,-0.1 5,-0.1 0.251 16.5 140.7-131.5 15.7 1.5 -25.5 33.9 91 98 A F > - 0 0 2 3,-0.1 4,-2.0 145,-0.1 143,-0.2 -0.224 53.5 -91.6 -57.5 149.4 3.3 -24.8 30.6 92 99 A I T 4 S- 0 0 1 141,-1.8 145,-0.3 1,-0.2 146,-0.2 -0.954 96.2 -0.1-117.3 133.8 4.7 -21.3 30.1 93 100 A P T >4 S+ 0 0 8 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.982 122.9 65.5 -96.3 3.8 3.6 -18.9 28.9 94 101 A T T 34 S+ 0 0 32 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.659 102.9 49.7 -62.9 -21.5 0.2 -20.5 28.1 95 102 A S T 3< S+ 0 0 14 -4,-2.0 2,-0.3 -5,-0.1 -1,-0.3 0.392 103.0 78.1 -93.8 4.3 -0.7 -21.0 31.8 96 103 A M < - 0 0 15 -3,-2.0 -20,-0.0 -5,-0.1 -5,-0.0 -0.786 65.3-142.6-115.6 154.6 0.1 -17.4 32.9 97 104 A D > - 0 0 30 -2,-0.3 4,-1.7 -22,-0.1 3,-0.4 -0.790 40.5 -64.3-104.7 156.0 -1.6 -14.0 32.6 98 105 A P T 4 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.404 110.1 41.2 -59.2 150.8 -0.1 -10.6 31.9 99 106 A P T >> S+ 0 0 98 0, 0.0 3,-0.9 0, 0.0 4,-0.6 -0.962 127.5 36.4 -82.7 -21.8 1.8 -8.9 33.3 100 107 A E H >> S+ 0 0 86 -3,-0.4 4,-1.0 1,-0.2 3,-0.7 0.848 113.3 60.6 -57.9 -34.9 4.0 -11.9 34.3 101 108 A Q H 3X S+ 0 0 1 -4,-1.7 4,-3.0 1,-0.2 -1,-0.2 0.843 90.7 70.3 -60.1 -36.5 3.3 -13.6 30.9 102 109 A R H <> S+ 0 0 130 -3,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.838 98.1 46.5 -55.1 -41.2 4.9 -10.7 29.0 103 110 A Q H X S+ 0 0 5 -4,-1.4 3,-0.7 2,-0.2 4,-0.6 0.930 111.6 48.6 -69.0 -47.8 12.0 -14.9 25.8 108 115 A A H >X S+ 0 0 2 -4,-2.4 3,-1.6 1,-0.2 4,-1.3 0.910 105.1 60.3 -58.6 -41.0 10.0 -17.6 23.8 109 116 A N H 3X S+ 0 0 71 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.824 95.0 63.3 -58.7 -30.3 9.8 -15.1 20.9 110 117 A Q H << S+ 0 0 118 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.802 109.4 39.6 -61.4 -29.5 13.6 -15.1 20.7 111 118 A V H << S+ 0 0 5 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.674 131.9 18.7 -99.2 -15.6 13.6 -18.8 19.8 112 119 A V H < S+ 0 0 16 -4,-1.3 243,-0.4 -3,-0.1 -3,-0.2 0.454 96.3 104.6-132.4 -6.4 10.6 -19.1 17.4 113 120 A G S >X S- 0 0 0 -4,-2.1 4,-1.4 -5,-0.3 3,-0.8 0.059 85.8 -63.6 -75.6-172.2 9.8 -15.6 16.1 114 121 A M H 3> S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.760 124.2 47.4 -42.7 -55.5 10.4 -13.9 12.8 115 122 A P H 3> S+ 0 0 96 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.834 111.2 52.7 -68.7 -30.1 14.2 -13.6 12.4 116 123 A V H <> S+ 0 0 38 -3,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.856 111.1 48.9 -63.9 -37.1 14.7 -17.3 13.4 117 124 A V H X S+ 0 0 4 -4,-1.4 4,-1.0 -3,-0.3 3,-0.2 0.950 105.9 52.6 -72.4 -51.9 12.1 -18.3 10.7 118 125 A D H < S+ 0 0 121 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.858 114.7 47.9 -49.9 -35.7 13.6 -16.3 7.9 119 126 A K H >< S+ 0 0 185 -4,-1.3 3,-0.5 -5,-0.2 -1,-0.2 0.852 109.5 48.7 -73.2 -40.8 16.9 -18.1 8.8 120 127 A L H >X S+ 0 0 27 -4,-1.8 4,-2.1 1,-0.2 3,-0.7 0.515 78.1 107.0 -79.5 -4.0 15.5 -21.7 9.0 121 128 A E H 3X S+ 0 0 52 -4,-1.0 4,-2.2 -3,-0.3 -1,-0.2 0.762 79.6 46.5 -50.2 -33.2 13.7 -21.5 5.7 122 129 A N H <> S+ 0 0 125 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.806 108.5 50.7 -88.0 -29.9 16.2 -23.8 3.9 123 130 A R H <> S+ 0 0 129 -3,-0.7 4,-2.1 -4,-0.2 -1,-0.2 0.847 113.0 51.3 -66.7 -32.4 16.5 -26.5 6.5 124 131 A I H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.971 110.8 46.6 -64.5 -55.0 12.7 -26.5 6.3 125 132 A Q H X S+ 0 0 46 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.903 112.2 50.9 -45.3 -54.2 12.8 -26.8 2.5 126 133 A E H X S+ 0 0 95 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.900 111.0 48.4 -55.3 -47.0 15.5 -29.6 2.7 127 134 A L H X S+ 0 0 13 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.945 112.0 46.8 -62.8 -50.9 13.4 -31.6 5.1 128 135 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.943 114.2 49.3 -54.8 -50.6 10.1 -31.4 3.2 129 136 A C H X S+ 0 0 19 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.894 111.1 47.2 -57.8 -45.1 11.9 -32.3 -0.1 130 137 A S H X S+ 0 0 68 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.892 114.3 47.9 -70.1 -36.7 13.7 -35.3 1.3 131 138 A L H X S+ 0 0 23 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.943 114.5 45.5 -64.2 -47.4 10.5 -36.6 3.0 132 139 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 3,-0.5 0.900 111.1 52.8 -64.1 -38.9 8.4 -36.1 -0.2 133 140 A E H < S+ 0 0 66 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.868 104.6 55.7 -68.4 -33.1 11.0 -37.7 -2.4 134 141 A S H < S+ 0 0 76 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.806 117.1 36.6 -68.4 -26.8 11.2 -40.8 -0.2 135 142 A L H >X>S+ 0 0 17 -4,-1.1 3,-1.9 -3,-0.5 4,-0.6 0.821 96.3 84.5 -88.8 -35.6 7.4 -41.2 -0.7 136 143 A R G ><5S+ 0 0 37 -4,-2.6 3,-1.0 1,-0.3 -2,-0.1 0.777 91.3 42.5 -45.9 -51.7 7.0 -40.1 -4.4 137 144 A P G 345S+ 0 0 63 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.645 101.0 73.4 -76.3 -10.3 7.8 -43.4 -6.3 138 145 A Q G <45S- 0 0 128 -3,-1.9 -2,-0.2 2,-0.1 -3,-0.1 0.754 89.0-143.6 -70.4 -26.2 5.8 -45.5 -3.8 139 146 A G T <<5S+ 0 0 8 -3,-1.0 260,-2.3 -4,-0.6 2,-0.3 0.600 72.9 56.5 70.2 9.7 2.5 -44.2 -5.2 140 147 A Q E < +F 398 0B 127 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.979 53.8 164.4-161.6 155.0 1.0 -44.3 -1.7 141 148 A C E -F 397 0B 13 256,-2.1 256,-3.0 -2,-0.3 2,-0.9 -0.954 43.2-118.8-160.4 159.3 1.5 -43.0 1.9 142 149 A N E > -F 396 0B 49 -2,-0.3 4,-3.6 254,-0.2 5,-0.4 -0.930 38.7-161.1 -91.4 99.7 -0.2 -42.6 5.3 143 150 A F H >>S+ 0 0 0 252,-2.9 5,-2.5 -2,-0.9 4,-2.0 0.848 82.8 50.2 -57.0 -40.7 0.2 -38.8 5.0 144 151 A T H 4>S+ 0 0 5 3,-0.2 5,-1.4 1,-0.2 -1,-0.2 0.924 121.3 34.6 -64.6 -44.3 -0.3 -38.2 8.7 145 152 A E H 45S+ 0 0 81 3,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.884 125.0 39.3 -74.3 -41.8 2.2 -40.9 9.7 146 153 A D H <5S+ 0 0 59 -4,-3.6 -3,-0.2 3,-0.1 -2,-0.2 0.682 134.8 4.7 -94.4 -22.0 4.8 -40.5 6.8 147 154 A Y T X5S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.4 -3,-0.2 0.651 122.9 52.2-124.8 -53.6 4.9 -36.8 6.3 148 155 A A T 4 S+ 0 0 20 0, 0.0 4,-1.7 0, 0.0 -2,-0.2 0.800 106.3 66.1 -59.7 -27.7 8.1 -36.5 11.0 151 158 A F H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -2,-0.1 0.973 105.2 33.0 -64.2 -63.9 8.1 -32.9 9.6 152 159 A P H > S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.859 116.7 55.4 -64.4 -37.0 7.5 -30.6 12.6 153 160 A I H X S+ 0 0 6 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.908 108.0 49.5 -63.2 -38.3 9.4 -32.8 15.1 154 161 A R H X S+ 0 0 81 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.854 110.6 50.6 -66.9 -34.1 12.5 -32.7 12.9 155 162 A I H X S+ 0 0 5 -4,-1.5 4,-2.5 2,-0.2 3,-0.3 0.941 110.0 50.1 -69.2 -45.1 12.2 -28.9 12.7 156 163 A F H X S+ 0 0 18 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.904 107.1 53.9 -57.4 -44.4 11.9 -28.7 16.5 157 164 A M H X>S+ 0 0 9 -4,-2.3 5,-2.5 1,-0.2 4,-0.5 0.842 109.7 49.9 -56.1 -38.3 15.1 -31.0 16.9 158 165 A L H ><5S+ 0 0 48 -4,-1.4 3,-0.7 -3,-0.3 -2,-0.2 0.934 113.3 43.5 -66.3 -53.3 16.9 -28.5 14.7 159 166 A L H 3<5S+ 0 0 25 -4,-2.5 53,-2.3 1,-0.2 -2,-0.2 0.908 119.7 43.6 -53.5 -47.6 15.8 -25.4 16.7 160 167 A A H 3<5S- 0 0 0 -4,-3.0 53,-0.3 51,-0.2 -1,-0.2 0.440 105.3-124.8 -85.7 -3.0 16.4 -27.1 20.0 161 168 A G T <<5 + 0 0 41 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.921 56.4 152.9 56.1 45.9 19.8 -28.7 19.1 162 169 A L < - 0 0 12 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.2 -0.810 48.0-102.9-102.9 147.9 18.6 -32.2 20.0 163 170 A P > - 0 0 55 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.484 20.7-122.3 -78.4 145.7 20.1 -35.3 18.4 164 171 A E G > S+ 0 0 146 1,-0.3 3,-1.6 2,-0.2 -7,-0.0 0.761 107.7 66.6 -44.4 -38.8 18.3 -37.2 15.6 165 172 A E G 3 S+ 0 0 148 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.688 92.7 61.6 -65.2 -17.9 18.4 -40.4 17.6 166 173 A D G <> S+ 0 0 46 -3,-2.1 4,-2.9 1,-0.2 5,-0.3 0.597 77.7 92.3 -82.4 -13.0 16.0 -38.9 20.2 167 174 A I H <> S+ 0 0 8 -3,-1.6 4,-2.8 -4,-0.3 5,-0.2 0.905 84.2 47.8 -53.0 -50.6 13.2 -38.5 17.7 168 175 A P H > S+ 0 0 92 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.930 114.7 46.4 -60.4 -41.9 11.5 -41.8 18.4 169 176 A H H > S+ 0 0 93 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.940 115.0 46.0 -61.7 -47.8 11.6 -41.4 22.2 170 177 A L H X S+ 0 0 1 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.852 110.6 53.7 -65.4 -35.9 10.3 -37.8 22.0 171 178 A K H X S+ 0 0 61 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.916 110.3 48.3 -59.8 -46.0 7.6 -38.8 19.5 172 179 A Y H X S+ 0 0 138 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.919 112.5 47.7 -59.9 -48.2 6.5 -41.4 22.0 173 180 A L H X S+ 0 0 8 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.925 115.0 44.8 -61.7 -45.7 6.5 -39.0 25.0 174 181 A T H >X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 3,-0.6 0.911 110.2 53.2 -68.9 -41.6 4.6 -36.3 23.1 175 182 A D H 3X S+ 0 0 25 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.839 103.5 60.3 -58.4 -34.9 2.0 -38.7 21.6 176 183 A Q H 3< S+ 0 0 46 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.863 112.9 36.6 -57.8 -39.5 1.3 -39.9 25.2 177 184 A M H << S+ 0 0 16 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.903 122.9 39.2 -81.8 -44.2 0.3 -36.5 26.3 178 185 A T H < S+ 0 0 47 -4,-2.3 211,-0.2 1,-0.3 -3,-0.2 0.651 122.3 37.5 -93.6 -20.7 -1.6 -35.2 23.2 179 186 A R S < S- 0 0 114 -4,-2.1 -1,-0.3 -5,-0.3 2,-0.1 -0.626 81.6-172.0-124.1 73.7 -3.4 -38.4 22.2 180 187 A P - 0 0 92 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.446 20.0-167.8 -71.3 136.9 -4.4 -39.9 25.5 181 188 A D - 0 0 135 -5,-0.2 -5,-0.0 -2,-0.1 0, 0.0 0.416 54.2-104.2 -93.9 -3.8 -5.8 -43.5 25.4 182 189 A G S S+ 0 0 66 2,-0.2 4,-0.0 3,-0.0 3,-0.0 0.439 97.2 109.2 94.1 2.9 -6.9 -43.1 29.1 183 190 A S S S+ 0 0 93 2,-0.0 2,-0.3 1,-0.0 0, 0.0 0.557 80.1 43.3 -81.2 -9.9 -4.1 -45.3 30.5 184 191 A M S S- 0 0 57 -8,-0.1 -2,-0.2 -7,-0.0 2,-0.2 -0.973 82.2-119.6-137.7 145.5 -2.4 -42.2 32.0 185 192 A T > - 0 0 75 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.515 33.2-115.2 -78.0 156.3 -3.5 -39.1 33.8 186 193 A F H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.923 118.6 51.0 -57.4 -45.5 -2.7 -35.8 32.1 187 194 A A H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.816 108.5 52.5 -59.6 -35.7 -0.3 -34.9 35.0 188 195 A E H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 109.3 48.6 -66.3 -43.3 1.4 -38.3 34.6 189 196 A A H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.923 111.7 49.9 -62.9 -45.6 2.0 -37.7 30.9 190 197 A K H X S+ 0 0 9 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.919 108.9 52.9 -56.3 -46.6 3.4 -34.2 31.6 191 198 A E H X S+ 0 0 87 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.894 106.6 51.3 -59.4 -46.1 5.7 -35.7 34.2 192 199 A A H X S+ 0 0 21 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.922 112.2 47.6 -56.6 -47.7 7.2 -38.3 31.8 193 200 A L H >X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 3,-1.0 0.933 111.3 50.1 -58.4 -49.3 7.8 -35.5 29.3 194 201 A Y H 3X S+ 0 0 0 -4,-2.8 4,-3.5 1,-0.2 -1,-0.2 0.822 101.6 63.5 -57.0 -37.2 9.5 -33.3 31.9 195 202 A D H 3< S+ 0 0 102 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.755 104.6 47.3 -58.9 -30.9 11.7 -36.2 33.0 196 203 A Y H S+ 0 0 49 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.845 112.0 52.0 -66.0 -37.2 18.5 -33.3 32.6 200 207 A I H X S+ 0 0 15 -4,-0.7 4,-1.7 -3,-0.3 -2,-0.2 0.883 110.7 47.6 -69.3 -41.0 19.1 -31.5 29.3 201 208 A I H X S+ 0 0 2 -4,-2.3 4,-1.9 2,-0.2 5,-0.3 0.918 110.8 52.6 -60.9 -44.6 18.2 -28.1 30.9 202 209 A E H X S+ 0 0 135 -4,-1.9 4,-1.6 -5,-0.3 3,-0.4 0.955 111.3 47.4 -55.3 -50.0 20.5 -29.0 33.8 203 210 A Q H X S+ 0 0 106 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.830 112.7 48.4 -56.3 -39.7 23.3 -29.7 31.2 204 211 A R H < S+ 0 0 36 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.636 106.6 54.0 -89.9 -15.2 22.7 -26.5 29.3 205 212 A R H < S+ 0 0 86 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.810 116.0 41.6 -75.6 -34.8 22.6 -24.2 32.3 206 213 A Q H < S+ 0 0 152 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.1 0.942 137.5 14.6 -71.7 -50.9 26.1 -25.7 33.2 207 214 A K S < S- 0 0 158 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 -0.768 84.2-166.5-128.1 85.0 27.3 -25.6 29.5 208 215 A P - 0 0 76 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.442 7.8-179.6 -73.5 144.6 25.1 -23.4 27.3 209 216 A G - 0 0 43 -2,-0.1 -48,-0.0 2,-0.1 -5,-0.0 -0.252 46.1 -88.8-110.9-150.1 25.2 -23.4 23.5 210 217 A T S S+ 0 0 135 -2,-0.1 -49,-0.1 4,-0.1 2,-0.0 0.247 84.0 114.8-113.6 12.0 23.1 -21.4 21.0 211 218 A D S > S- 0 0 29 -51,-0.1 4,-2.2 -50,-0.1 -51,-0.2 -0.237 82.7 -99.2 -71.7 169.4 20.1 -23.7 20.6 212 219 A A H > S+ 0 0 10 -53,-2.3 4,-2.6 1,-0.2 5,-0.2 0.867 122.7 52.4 -59.1 -40.1 16.6 -22.8 21.8 213 220 A I H > S+ 0 0 3 -53,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.886 109.8 49.7 -67.4 -36.6 16.9 -24.8 25.0 214 221 A S H > S+ 0 0 3 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.907 111.8 47.4 -68.8 -42.2 20.1 -23.0 25.9 215 222 A I H < S+ 0 0 61 -4,-2.2 3,-0.3 2,-0.2 -2,-0.2 0.947 117.4 43.1 -62.4 -48.4 18.6 -19.5 25.2 216 223 A V H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.938 112.7 49.9 -61.1 -50.8 15.5 -20.3 27.2 217 224 A A H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.669 117.9 39.9 -71.6 -16.3 17.3 -22.0 30.2 218 225 A N T 3< S+ 0 0 74 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.109 93.4 121.1-115.4 18.1 19.8 -19.2 30.6 219 226 A G < - 0 0 10 -3,-1.6 7,-2.4 6,-0.1 2,-0.4 -0.253 59.5-120.3 -81.5 169.8 17.4 -16.3 30.0 220 227 A Q E -H 225 0C 121 5,-0.2 2,-0.4 -117,-0.1 -2,-0.1 -0.929 25.3-177.4-110.7 130.6 16.4 -13.3 32.2 221 228 A V E > S-H 224 0C 0 3,-2.6 3,-1.3 -2,-0.4 -117,-0.0 -0.997 73.2 -8.4-131.0 132.3 12.8 -12.7 33.3 222 229 A N T 3 S- 0 0 97 -2,-0.4 -1,-0.1 1,-0.2 -122,-0.0 0.854 129.5 -57.4 49.4 38.9 11.7 -9.6 35.4 223 230 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.662 122.0 86.5 69.6 19.8 15.4 -8.8 35.9 224 231 A R E < S-H 221 0C 84 -3,-1.3 -3,-2.6 3,-0.0 -1,-0.2 -0.921 87.4 -82.5-137.6 165.2 16.5 -12.1 37.4 225 232 A P E -H 220 0C 89 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.408 47.7-108.1 -69.2 148.7 17.6 -15.5 36.0 226 233 A I - 0 0 1 -7,-2.4 2,-0.1 -10,-0.2 -4,-0.0 -0.454 37.7-118.4 -68.6 142.9 14.9 -17.9 34.9 227 234 A T > - 0 0 58 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.428 17.8-114.9 -80.1 162.8 14.6 -20.9 37.3 228 235 A S H > S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 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