==== 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 3P6V . 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 . 398 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 8.0 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 . 17 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 2 0 0 2 0 2 1 1 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 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 0 184 0, 0.0 50,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -24.6 -22.6 1.3 -31.6 2 11 A L - 0 0 71 47,-0.1 47,-0.2 48,-0.1 46,-0.0 -0.722 360.0-131.8 -87.9 136.6 -24.3 -2.1 -31.9 3 12 A A - 0 0 30 45,-2.5 2,-0.1 -2,-0.4 49,-0.0 -0.642 36.6 -95.9 -81.4 143.8 -23.6 -4.4 -34.9 4 13 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.383 47.6 -97.9 -65.0 139.0 -26.6 -5.8 -36.7 5 14 A L - 0 0 50 1,-0.1 6,-0.1 -2,-0.1 43,-0.0 -0.355 36.3-121.8 -59.8 116.2 -27.5 -9.4 -35.5 6 15 A P > - 0 0 36 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.311 25.1-116.8 -57.3 143.9 -26.1 -12.0 -37.9 7 16 A P T 3 S+ 0 0 141 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.725 109.4 61.7 -61.5 -24.2 -29.0 -14.2 -39.3 8 17 A H T 3 S+ 0 0 50 2,-0.1 288,-0.2 1,-0.0 -3,-0.0 0.578 88.1 86.9 -75.8 -8.9 -27.7 -17.5 -37.7 9 18 A V S < S- 0 0 6 -3,-1.8 2,-0.2 286,-0.1 5,-0.0 -0.835 76.6-134.5 -99.4 119.0 -28.1 -16.1 -34.1 10 19 A P > - 0 0 49 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.448 15.2-126.4 -72.3 140.2 -31.5 -16.4 -32.4 11 20 A E G > S+ 0 0 164 1,-0.3 3,-1.8 2,-0.2 35,-0.1 0.783 103.4 67.9 -54.4 -33.7 -32.8 -13.3 -30.6 12 21 A H G 3 S+ 0 0 147 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.620 96.9 55.2 -67.8 -11.3 -33.3 -15.1 -27.3 13 22 A L G < S+ 0 0 16 -3,-1.9 33,-2.5 28,-0.1 2,-0.4 0.383 81.8 116.6 -97.6 2.7 -29.5 -15.5 -26.9 14 23 A V B < +a 46 0A 38 -3,-1.8 2,-0.3 31,-0.2 33,-0.2 -0.596 26.6 157.4 -83.8 123.9 -28.8 -11.7 -27.2 15 24 A F - 0 0 70 31,-2.6 2,-2.3 -2,-0.4 30,-0.1 -0.884 35.0-141.9-143.2 109.4 -27.3 -9.9 -24.2 16 25 A D + 0 0 61 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.373 33.5 167.3 -81.9 67.6 -25.5 -6.7 -25.2 17 26 A F - 0 0 9 -2,-2.3 2,-0.7 32,-0.1 32,-0.3 -0.660 25.0-151.2 -78.2 129.2 -22.5 -6.9 -22.7 18 27 A D > - 0 0 43 -2,-0.4 3,-1.6 3,-0.2 -2,-0.0 -0.896 3.4-162.7-105.4 107.2 -19.7 -4.4 -23.4 19 28 A M T 3 S+ 0 0 1 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.651 91.4 48.9 -65.5 -15.8 -16.4 -5.9 -22.2 20 29 A Y T 3 S+ 0 0 85 1,-0.2 358,-0.4 -3,-0.0 -1,-0.3 0.501 128.5 19.3 -98.9 -7.3 -14.7 -2.5 -22.3 21 30 A N S < S- 0 0 108 -3,-1.6 -3,-0.2 356,-0.1 -1,-0.2 -0.326 76.3-172.4-159.9 64.8 -17.5 -0.7 -20.4 22 31 A P > - 0 0 4 0, 0.0 3,-1.7 0, 0.0 11,-0.1 -0.379 31.1-122.3 -68.0 144.5 -19.8 -3.0 -18.4 23 32 A S T 3 S+ 0 0 112 1,-0.3 3,-0.4 9,-0.1 9,-0.1 0.819 107.3 47.9 -60.9 -33.0 -22.8 -1.4 -16.9 24 33 A N T > S+ 0 0 81 8,-0.2 3,-1.9 1,-0.2 4,-0.3 0.110 70.8 126.6 -96.2 25.2 -22.1 -2.3 -13.2 25 34 A L G X + 0 0 31 -3,-1.7 3,-2.2 1,-0.3 351,-0.3 0.803 64.2 63.3 -50.6 -38.4 -18.4 -1.2 -13.3 26 35 A S G 3 S+ 0 0 103 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.685 95.7 60.1 -68.0 -17.7 -18.7 1.0 -10.2 27 36 A A G < S- 0 0 67 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.527 131.4 -78.2 -80.0 -7.3 -19.6 -2.0 -8.1 28 37 A G <> - 0 0 9 -3,-2.2 4,-2.2 -4,-0.3 -1,-0.3 -0.083 40.5 -98.2 114.5 143.9 -16.1 -3.5 -9.0 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.901 119.0 48.5 -68.0 -44.3 -15.0 -5.1 -12.2 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 114.4 49.0 -57.5 -46.1 -15.4 -8.8 -11.2 31 40 A E H 4 S+ 0 0 69 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.891 108.7 54.2 -56.2 -42.7 -18.9 -8.1 -9.9 32 41 A A H >< S+ 0 0 1 -4,-2.2 3,-0.8 1,-0.2 -8,-0.2 0.880 110.3 44.9 -64.3 -40.4 -19.7 -6.3 -13.1 33 42 A W H >< S+ 0 0 0 -4,-2.2 3,-2.3 1,-0.2 -1,-0.2 0.838 99.7 70.1 -69.6 -34.0 -18.7 -9.3 -15.3 34 43 A A G >< S+ 0 0 21 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.582 75.2 84.8 -65.4 -8.1 -20.6 -11.7 -12.9 35 44 A V G X S+ 0 0 24 -3,-0.8 3,-1.5 -4,-0.4 -1,-0.3 0.837 81.0 65.2 -54.3 -32.5 -23.8 -10.1 -14.3 36 45 A L G < S+ 0 0 0 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.598 95.9 57.1 -67.2 -10.9 -23.3 -12.7 -17.1 37 46 A Q G < S+ 0 0 23 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.301 73.4 125.7-109.8 7.7 -23.9 -15.4 -14.5 38 47 A E S X S- 0 0 113 -3,-1.5 3,-2.2 -4,-0.1 -3,-0.0 -0.334 76.2-106.6 -63.5 154.0 -27.4 -14.4 -13.3 39 48 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -2,-0.0 -3,-0.0 0.641 116.8 55.9 -66.2 -19.4 -29.9 -17.2 -13.5 40 49 A N T 3 S+ 0 0 132 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.388 88.7 91.5 -89.3 2.1 -31.8 -15.7 -16.5 41 50 A V S < S- 0 0 8 -3,-2.2 4,-0.1 -6,-0.1 -28,-0.1 -0.875 78.2-128.3-102.3 120.2 -28.6 -15.5 -18.6 42 51 A P - 0 0 50 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.170 24.4-110.3 -60.1 161.1 -28.0 -18.6 -20.8 43 52 A D S S+ 0 0 54 1,-0.2 14,-2.6 13,-0.1 15,-0.6 0.649 109.3 39.5 -66.6 -17.7 -24.5 -20.3 -20.6 44 53 A L E S+ B 0 56A 7 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.973 76.6 170.2-138.3 115.9 -23.8 -19.0 -24.1 45 54 A V E - B 0 55A 1 10,-2.4 10,-2.6 -2,-0.4 2,-0.5 -0.860 27.5-132.7-124.6 161.8 -24.8 -15.5 -25.3 46 55 A W E -aB 14 54A 10 -33,-2.5 -31,-2.6 -2,-0.3 2,-0.4 -0.966 17.8-162.9-109.9 128.7 -24.3 -13.1 -28.2 47 56 A T E - B 0 53A 0 6,-2.7 6,-1.9 -2,-0.5 -31,-0.2 -0.906 15.3-153.4-106.0 142.3 -23.5 -9.5 -27.7 48 57 A R > + 0 0 78 -2,-0.4 -45,-2.5 4,-0.2 3,-0.6 0.529 67.6 103.9 -86.9 -6.0 -23.9 -6.9 -30.4 49 58 A C G > S+ 0 0 10 -32,-0.3 3,-2.1 1,-0.2 -2,-0.1 -0.326 78.8 15.7 -69.1 155.7 -21.2 -4.7 -28.8 50 59 A N G 3 S- 0 0 40 -49,-0.3 -1,-0.2 1,-0.3 -48,-0.1 0.770 141.3 -42.0 53.7 40.4 -17.6 -4.5 -30.2 51 60 A G G < S- 0 0 60 -3,-0.6 -1,-0.3 -50,-0.4 -2,-0.1 0.094 104.3 -78.8 98.7 -19.9 -18.4 -6.0 -33.7 52 61 A G < + 0 0 10 -3,-2.1 250,-0.3 1,-0.1 2,-0.3 0.351 65.6 161.5 92.8 129.2 -20.6 -8.7 -32.3 53 62 A H E -B 47 0A 0 -6,-1.9 -6,-2.7 248,-0.1 250,-0.2 -0.961 37.0 -96.3-171.7 157.1 -19.4 -11.9 -30.7 54 63 A W E -Bc 46 303A 0 248,-2.4 250,-3.1 -2,-0.3 2,-0.4 -0.444 27.8-156.5 -73.7 156.2 -20.3 -14.9 -28.5 55 64 A I E -Bc 45 304A 0 -10,-2.6 -10,-2.4 248,-0.2 2,-0.5 -0.974 6.9-150.3-133.4 123.5 -19.6 -15.0 -24.8 56 65 A A E -B 44 0A 0 248,-2.4 -12,-0.2 -2,-0.4 253,-0.1 -0.835 15.2-175.1 -85.8 128.4 -19.3 -18.3 -22.8 57 66 A T + 0 0 0 -14,-2.6 2,-0.4 -2,-0.5 -13,-0.1 0.500 53.5 69.7-108.3 -8.2 -20.4 -17.5 -19.3 58 67 A R S >> S- 0 0 16 -15,-0.6 4,-2.2 1,-0.1 3,-0.5 -0.906 76.5-125.7-121.0 144.2 -19.8 -20.7 -17.4 59 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.8 251,-0.3 5,-0.2 0.851 108.6 57.4 -52.0 -42.7 -16.5 -22.5 -16.3 60 69 A Q H 3> S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 111.8 40.6 -55.8 -47.4 -17.5 -25.7 -18.0 61 70 A L H <> S+ 0 0 5 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.868 113.8 53.3 -72.2 -38.2 -18.0 -24.1 -21.4 62 71 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.939 112.7 44.4 -59.9 -50.7 -14.9 -21.9 -21.0 63 72 A R H X S+ 0 0 59 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.952 112.8 51.4 -57.0 -54.3 -12.7 -24.9 -20.2 64 73 A E H X S+ 0 0 63 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.898 110.9 47.1 -53.4 -46.8 -14.2 -27.1 -23.0 65 74 A A H < S+ 0 0 1 -4,-2.4 7,-0.3 1,-0.2 -1,-0.2 0.884 110.2 52.2 -65.3 -40.0 -13.6 -24.4 -25.7 66 75 A Y H < S+ 0 0 6 -4,-2.0 273,-0.5 1,-0.2 -1,-0.2 0.782 110.8 50.1 -66.7 -27.1 -10.0 -23.8 -24.6 67 76 A E H < S+ 0 0 112 -4,-1.8 2,-1.7 1,-0.2 -2,-0.2 0.868 99.6 67.1 -70.9 -41.1 -9.4 -27.6 -24.8 68 77 A D >X + 0 0 43 -4,-1.9 4,-2.6 1,-0.2 3,-0.9 -0.504 54.7 158.8 -90.2 70.7 -10.9 -27.8 -28.3 69 78 A Y T 34 + 0 0 65 -2,-1.7 -1,-0.2 1,-0.2 5,-0.1 0.669 67.4 70.1 -67.7 -17.1 -8.2 -25.8 -30.3 70 79 A R T 34 S+ 0 0 185 -3,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.869 115.1 23.5 -68.8 -36.3 -9.4 -27.6 -33.5 71 80 A H T <4 S+ 0 0 49 -3,-0.9 216,-2.3 1,-0.2 2,-0.7 0.776 126.1 51.3 -92.3 -36.6 -12.7 -25.7 -33.5 72 81 A F E < S-D 286 0A 1 -4,-2.6 2,-0.2 -7,-0.3 214,-0.2 -0.850 80.0-165.8-110.7 96.0 -11.6 -22.7 -31.4 73 82 A S E > -D 285 0A 5 212,-2.6 212,-2.1 -2,-0.7 3,-0.6 -0.561 26.1-145.6 -91.1 146.7 -8.4 -21.2 -32.9 74 83 A S T 3 S+ 0 0 1 -2,-0.2 -1,-0.1 1,-0.2 209,-0.1 0.342 77.3 100.5 -86.3 2.7 -6.0 -18.6 -31.5 75 84 A E T 3 S+ 0 0 151 1,-0.3 -1,-0.2 210,-0.2 209,-0.1 0.841 96.3 30.8 -59.5 -29.4 -5.3 -17.0 -34.8 76 85 A C S < S+ 0 0 46 -3,-0.6 -1,-0.3 1,-0.1 11,-0.1 -0.717 74.9 161.6-126.3 78.4 -7.7 -14.3 -33.7 77 86 A P + 0 0 12 0, 0.0 206,-1.9 0, 0.0 2,-0.4 0.507 50.9 68.1 -84.4 -3.7 -7.3 -14.1 -29.9 78 87 A F S S- 0 0 100 204,-0.2 204,-0.1 2,-0.1 226,-0.0 -0.903 76.9-111.0-123.6 143.7 -8.8 -10.6 -29.3 79 88 A I 0 0 3 -2,-0.4 -28,-0.1 1,-0.3 -29,-0.1 -0.945 360.0 360.0-103.1 132.3 -12.2 -8.8 -29.6 80 89 A P 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.958 360.0 360.0 -72.9 360.0 -12.6 -6.8 -31.7 81 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 82 97 A D 0 0 79 0, 0.0 5,-0.1 0, 0.0 143,-0.1 0.000 360.0 360.0 360.0 16.7 2.3 -10.6 -34.0 83 98 A F > - 0 0 22 145,-0.1 4,-0.9 1,-0.1 143,-0.2 -0.205 360.0 -90.8 -62.7 149.0 3.8 -12.0 -30.7 84 99 A I T 4 S- 0 0 3 141,-1.3 145,-0.2 1,-0.2 -1,-0.1 -0.888 94.6 -0.4-110.4 140.3 4.8 -15.7 -30.3 85 100 A P T >4 S+ 0 0 7 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 -0.948 109.3 83.2 -96.1 16.2 3.4 -18.1 -29.4 86 101 A T T 34 S+ 0 0 51 1,-0.3 -2,-0.2 7,-0.0 -3,-0.1 0.689 97.6 43.5 -52.7 -26.3 0.0 -16.3 -28.5 87 102 A S T 3< S+ 0 0 43 -4,-0.9 2,-0.4 -5,-0.1 -1,-0.3 0.284 97.1 90.9-106.5 11.0 -1.3 -16.4 -32.1 88 103 A M < - 0 0 23 -3,-2.2 0, 0.0 -15,-0.0 0, 0.0 -0.869 58.7-148.5-111.6 138.7 -0.4 -20.0 -33.0 89 104 A D >> - 0 0 33 -2,-0.4 4,-1.2 1,-0.1 3,-0.6 -0.568 47.2 -52.7 -85.5 161.3 -2.3 -23.2 -32.7 90 105 A P T 34 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.445 110.4 38.4 -59.2 148.5 -0.6 -26.6 -32.1 91 106 A P T 3> S+ 0 0 90 0, 0.0 4,-0.5 0, 0.0 3,-0.4 -0.987 121.4 41.1 -97.2 -7.6 1.6 -28.2 -33.4 92 107 A E H X> S+ 0 0 101 -3,-0.6 3,-1.1 1,-0.2 4,-1.0 0.867 109.7 63.5 -65.7 -32.6 4.0 -25.3 -34.2 93 108 A Q H 3X S+ 0 0 1 -4,-1.2 4,-2.7 1,-0.2 5,-0.2 0.844 90.1 65.7 -57.4 -39.6 3.1 -23.7 -30.8 94 109 A R H 3> S+ 0 0 140 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.806 98.6 54.5 -55.9 -32.4 4.7 -26.6 -28.9 95 110 A Q H < S+ 0 0 9 -4,-1.5 3,-1.2 2,-0.2 4,-0.5 0.937 110.0 50.8 -69.8 -47.2 11.9 -22.8 -25.6 100 115 A A H >X S+ 0 0 3 -4,-2.7 4,-1.5 1,-0.3 3,-1.4 0.853 103.5 62.3 -58.5 -34.3 10.1 -20.1 -23.6 101 116 A N H 3X S+ 0 0 74 -4,-1.8 4,-1.5 1,-0.3 -1,-0.3 0.743 92.3 63.3 -65.4 -24.8 9.8 -22.6 -20.8 102 117 A Q H << S+ 0 0 120 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.676 110.0 40.9 -70.4 -18.5 13.6 -22.9 -20.5 103 118 A V H <4 S+ 0 0 4 -3,-1.4 -2,-0.2 -4,-0.5 -1,-0.2 0.747 131.0 19.5-100.6 -28.7 13.6 -19.1 -19.5 104 119 A V H < S+ 0 0 11 -4,-1.5 243,-0.4 4,-0.1 242,-0.2 0.323 92.4 122.6-124.8 6.2 10.5 -18.8 -17.2 105 120 A G S >X S- 0 0 0 -4,-1.5 4,-2.1 -5,-0.2 3,-1.0 -0.110 79.8 -87.7 -67.4 167.9 9.9 -22.4 -16.0 106 121 A M H 3> S+ 0 0 71 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.811 124.4 54.8 -46.1 -45.2 9.8 -23.7 -12.4 107 122 A P H 3> S+ 0 0 89 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.883 110.8 46.2 -61.0 -36.9 13.6 -24.4 -12.2 108 123 A V H <> S+ 0 0 37 -3,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.924 111.5 51.9 -67.6 -44.3 14.4 -20.8 -13.3 109 124 A V H X S+ 0 0 1 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.899 107.9 51.5 -59.8 -42.7 11.8 -19.4 -10.8 110 125 A D H >< S+ 0 0 88 -4,-2.6 3,-0.5 1,-0.2 4,-0.3 0.879 109.2 51.6 -62.3 -38.2 13.4 -21.4 -7.9 111 126 A K H 3< S+ 0 0 167 -4,-1.5 3,-0.2 1,-0.2 -1,-0.2 0.829 115.2 40.9 -64.5 -34.2 16.8 -20.0 -8.8 112 127 A L H 3X S+ 0 0 30 -4,-1.7 4,-2.5 1,-0.2 3,-0.5 0.449 81.1 106.4 -96.7 0.8 15.6 -16.4 -8.8 113 128 A E H S+ 0 0 92 -4,-0.3 4,-2.5 -3,-0.2 -1,-0.3 0.802 110.8 55.5 -78.1 -27.2 15.7 -14.6 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135 150 A F H >>S+ 0 0 0 252,-2.4 5,-2.5 -2,-0.8 4,-2.4 0.881 84.8 51.9 -54.5 -45.6 0.7 1.2 -4.7 136 151 A T H 4>S+ 0 0 6 1,-0.2 5,-1.7 3,-0.2 -1,-0.2 0.938 121.9 32.6 -56.5 -47.8 -0.1 0.7 -8.5 137 152 A E H 45S+ 0 0 101 3,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.877 125.5 40.3 -77.2 -39.9 2.4 3.4 -9.4 138 153 A D H <5S+ 0 0 58 -4,-3.8 -3,-0.2 3,-0.1 -2,-0.2 0.726 134.6 3.6 -92.9 -25.8 5.0 3.0 -6.6 139 154 A Y T X5S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.4 -3,-0.2 0.686 123.7 53.6-121.3 -54.1 5.3 -0.8 -6.2 140 155 A A T 4 S+ 0 0 25 0, 0.0 4,-1.4 0, 0.0 -2,-0.2 0.780 105.4 67.2 -64.1 -25.4 8.4 -1.0 -11.0 143 158 A F H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.1 0.960 102.1 36.6 -65.1 -61.0 8.3 -4.6 -9.7 144 159 A P H > S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.844 114.9 55.3 -65.5 -34.2 7.7 -6.8 -12.8 145 160 A I H X S+ 0 0 1 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.880 109.1 48.3 -63.7 -37.0 9.7 -4.6 -15.2 146 161 A R H X S+ 0 0 77 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.867 107.6 55.3 -72.3 -32.2 12.8 -5.0 -12.8 147 162 A I H X S+ 0 0 3 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.919 107.8 49.9 -63.0 -40.6 12.2 -8.8 -12.7 148 163 A F H X S+ 0 0 14 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.907 106.9 52.5 -63.0 -45.7 12.4 -8.8 -16.5 149 164 A M H X>S+ 0 0 9 -4,-2.0 5,-2.7 2,-0.2 4,-0.6 0.872 111.4 49.8 -55.6 -37.9 15.6 -6.9 -16.5 150 165 A L H ><5S+ 0 0 67 -4,-1.8 3,-0.9 3,-0.2 -2,-0.2 0.962 113.5 43.7 -62.7 -55.7 16.9 -9.5 -14.1 151 166 A L H 3<5S+ 0 0 21 -4,-2.6 53,-2.7 1,-0.2 -2,-0.2 0.863 119.6 42.6 -55.2 -41.3 15.8 -12.5 -16.3 152 167 A A H 3<5S- 0 0 0 -4,-2.8 -1,-0.2 51,-0.2 -2,-0.2 0.411 106.6-121.2 -94.1 0.9 17.1 -10.8 -19.5 153 168 A G T <<5 + 0 0 38 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.939 58.6 154.7 57.8 50.2 20.4 -9.6 -18.1 154 169 A L < - 0 0 15 -5,-2.7 -1,-0.2 -6,-0.1 2,-0.1 -0.868 44.7-104.8-115.3 145.8 19.6 -6.0 -19.0 155 170 A P > - 0 0 51 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.368 20.1-124.7 -75.8 145.2 20.9 -2.8 -17.4 156 171 A E G > S+ 0 0 129 1,-0.3 3,-1.7 2,-0.2 -7,-0.0 0.776 105.4 69.0 -50.3 -34.4 18.9 -0.7 -14.9 157 172 A E G 3 S+ 0 0 147 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.711 91.8 61.3 -65.2 -19.7 19.5 2.5 -17.1 158 173 A D G <> S+ 0 0 51 -3,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.518 79.9 89.3 -82.5 -7.2 17.2 1.0 -19.8 159 174 A I H <> S+ 0 0 9 -3,-1.7 4,-3.5 -4,-0.2 5,-0.3 0.927 80.2 53.4 -59.9 -53.5 14.1 0.8 -17.6 160 175 A P H > S+ 0 0 95 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.897 116.3 39.4 -50.4 -48.2 12.6 4.3 -18.2 161 176 A H H > S+ 0 0 106 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.904 117.8 47.1 -70.6 -43.1 12.6 3.9 -22.0 162 177 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.932 112.7 50.7 -63.9 -44.8 11.6 0.2 -22.0 163 178 A K H X S+ 0 0 34 -4,-3.5 4,-2.2 -5,-0.2 -1,-0.2 0.881 108.9 52.3 -55.7 -44.3 8.8 1.0 -19.6 164 179 A Y H X S+ 0 0 77 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.926 107.4 52.1 -59.7 -46.3 7.6 3.8 -21.8 165 180 A L H X S+ 0 0 2 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.898 112.4 43.8 -58.5 -44.8 7.5 1.5 -24.9 166 181 A T H >X S+ 0 0 8 -4,-2.1 4,-1.0 1,-0.2 3,-0.6 0.840 109.2 57.8 -72.9 -33.2 5.3 -1.1 -23.1 167 182 A D H 3X 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-2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.416 42.1-103.5 -73.6 164.3 1.0 4.0 -32.7 178 193 A F H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.925 124.8 51.1 -54.8 -45.2 0.9 0.4 -31.5 179 194 A A H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.837 108.6 51.0 -61.8 -35.2 3.1 -0.6 -34.5 180 195 A E H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.900 110.2 48.3 -71.3 -41.7 5.6 2.1 -33.8 181 196 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.883 111.9 50.6 -62.4 -43.5 6.0 1.1 -30.1 182 197 A K H X S+ 0 0 32 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.902 112.1 45.7 -60.8 -46.6 6.4 -2.6 -31.2 183 198 A E H X S+ 0 0 89 -4,-2.0 4,-3.5 2,-0.2 -2,-0.2 0.851 111.3 52.2 -68.5 -38.2 9.1 -1.7 -33.8 184 199 A A H X S+ 0 0 17 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.916 109.8 50.0 -60.1 -44.0 11.0 0.5 -31.3 185 200 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.902 112.9 46.9 -58.8 -41.3 10.9 -2.4 -28.9 186 201 A Y H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.914 105.8 57.5 -68.1 -42.3 12.3 -4.5 -31.7 187 202 A D H < S+ 0 0 107 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.843 111.0 46.7 -52.2 -37.3 14.9 -1.9 -32.5 188 203 A Y H X S+ 0 0 36 -4,-1.8 4,-0.7 -5,-0.1 -2,-0.2 0.947 116.2 40.4 -69.0 -53.0 16.0 -2.4 -28.9 189 204 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-0.3 0.852 99.5 73.3 -70.8 -37.1 16.1 -6.2 -28.8 190 205 A I H X S+ 0 0 52 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.861 99.0 42.1 -50.6 -51.7 17.6 -7.0 -32.2 191 206 A P H > S+ 0 0 73 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.871 114.2 52.6 -67.9 -33.6 21.2 -6.0 -31.6 192 207 A I H X S+ 0 0 24 -4,-0.7 4,-2.2 -3,-0.3 -2,-0.2 0.932 111.6 47.0 -62.6 -47.6 21.2 -7.6 -28.1 193 208 A I H X S+ 0 0 1 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.937 113.1 48.6 -56.0 -52.0 19.9 -10.8 -29.8 194 209 A E H >X S+ 0 0 87 -4,-2.7 4,-0.8 1,-0.2 3,-0.6 0.926 113.7 46.9 -54.5 -48.1 22.6 -10.6 -32.5 195 210 A Q H >X S+ 0 0 137 -4,-2.8 4,-2.6 1,-0.2 3,-0.6 0.862 110.7 51.0 -64.0 -39.1 25.4 -10.0 -30.0 196 211 A R H 3< S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.534 99.1 64.9 -84.4 -7.1 24.3 -12.8 -27.7 197 212 A R H << S+ 0 0 67 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.780 113.5 35.7 -68.1 -32.6 24.2 -15.2 -30.7 198 213 A Q H << S+ 0 0 170 -4,-0.8 -2,-0.2 -3,-0.6 -3,-0.1 0.864 134.6 21.3 -92.5 -42.3 28.0 -14.5 -30.7 199 214 A K S < S- 0 0 168 -4,-2.6 -1,-0.2 0, 0.0 -2,-0.1 -0.750 83.6-162.6-129.5 85.0 28.7 -14.2 -26.9 200 215 A P - 0 0 74 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.354 7.1-170.5 -68.3 142.2 26.0 -16.0 -24.9 201 216 A G - 0 0 41 2,-0.1 -48,-0.0 -5,-0.1 0, 0.0 -0.362 42.7 -96.7-104.8-163.8 25.3 -15.5 -21.2 202 217 A T S S+ 0 0 147 -2,-0.2 2,-0.1 4,-0.1 -49,-0.1 0.098 87.3 112.7-103.1 21.9 22.9 -17.5 -19.0 203 218 A D S > S- 0 0 22 -51,-0.1 4,-1.7 -50,-0.1 -51,-0.2 -0.385 82.4-102.4 -89.3 171.4 20.1 -14.9 -19.4 204 219 A A H > S+ 0 0 9 -53,-2.7 4,-2.4 1,-0.2 5,-0.2 0.786 119.8 51.4 -66.7 -35.8 16.7 -15.3 -21.2 205 220 A I H > S+ 0 0 1 2,-0.2 4,-2.8 -54,-0.2 -1,-0.2 0.927 109.8 50.6 -68.3 -43.8 17.8 -13.4 -24.4 206 221 A S H > S+ 0 0 2 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.844 113.4 46.2 -59.9 -37.8 20.9 -15.6 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