==== 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 3P6M . 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 . 404 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 67.6 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 . 13 3.2 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 . 153 37.9 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 2 1 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 11 A L 0 0 143 0, 0.0 47,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 120.6 -23.8 -2.6 -31.9 2 12 A A - 0 0 26 45,-2.6 49,-0.0 1,-0.1 0, 0.0 -0.522 360.0 -93.8 -72.9 142.7 -22.8 -4.8 -34.9 3 13 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.311 46.4-102.8 -61.0 137.5 -25.7 -6.3 -36.8 4 14 A L - 0 0 43 1,-0.1 43,-0.1 -3,-0.1 6,-0.0 -0.476 35.9-120.6 -61.8 120.4 -26.6 -9.8 -35.6 5 15 A P > - 0 0 34 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.358 23.8-116.2 -58.6 143.4 -25.2 -12.5 -38.0 6 16 A P T 3 S+ 0 0 141 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.752 111.2 60.0 -55.8 -27.1 -28.1 -14.6 -39.5 7 17 A H T 3 S+ 0 0 45 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.584 85.9 89.1 -77.6 -9.0 -26.7 -17.8 -37.9 8 18 A V S < S- 0 0 5 -3,-2.0 2,-0.1 292,-0.1 5,-0.1 -0.794 77.4-132.4 -97.0 116.7 -27.0 -16.4 -34.3 9 19 A P > - 0 0 50 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.405 14.5-125.0 -70.3 141.3 -30.4 -17.1 -32.7 10 20 A E G > S+ 0 0 132 1,-0.3 3,-2.1 2,-0.2 35,-0.1 0.840 104.9 65.6 -48.8 -42.5 -32.1 -14.1 -31.0 11 21 A H G 3 S+ 0 0 147 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.539 96.8 56.6 -66.4 -6.4 -32.5 -15.9 -27.6 12 22 A L G < S+ 0 0 13 -3,-2.0 33,-2.9 32,-0.1 2,-0.5 0.391 79.3 118.4-104.3 4.3 -28.7 -16.0 -27.2 13 23 A V B < +a 45 0A 34 -3,-2.1 2,-0.4 31,-0.2 33,-0.2 -0.611 24.5 155.9 -86.1 117.7 -28.1 -12.3 -27.5 14 24 A F - 0 0 73 31,-2.9 2,-2.5 -2,-0.5 30,-0.1 -0.921 34.7-145.0-137.9 106.6 -26.6 -10.5 -24.4 15 25 A D + 0 0 55 -2,-0.4 2,-0.3 31,-0.2 31,-0.1 -0.359 32.5 167.3 -79.1 64.0 -24.9 -7.3 -25.3 16 26 A F - 0 0 8 -2,-2.5 2,-0.6 32,-0.1 32,-0.4 -0.606 25.4-149.8 -71.9 136.7 -22.1 -7.5 -22.8 17 27 A D > - 0 0 45 -2,-0.3 3,-1.3 1,-0.1 -2,-0.1 -0.919 5.6-163.9-112.2 105.1 -19.3 -5.0 -23.5 18 28 A M T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 14,-0.0 0.634 89.9 49.1 -67.3 -14.4 -16.0 -6.4 -22.2 19 29 A Y T 3 S+ 0 0 81 1,-0.2 364,-0.5 365,-0.0 -1,-0.3 0.579 129.7 16.8 -97.3 -13.3 -14.3 -2.9 -22.4 20 30 A N S < S- 0 0 106 -3,-1.3 -2,-0.2 362,-0.1 -1,-0.2 -0.309 76.9-175.3-154.6 61.9 -17.1 -1.1 -20.5 21 31 A P > - 0 0 3 0, 0.0 3,-1.0 0, 0.0 11,-0.1 -0.292 31.9-113.7 -66.0 147.2 -19.4 -3.5 -18.6 22 32 A S T 3 S+ 0 0 101 1,-0.3 -5,-0.0 9,-0.1 -2,-0.0 -0.390 105.6 35.0 -73.2 157.0 -22.4 -1.8 -16.9 23 33 A N T > S+ 0 0 89 1,-0.1 3,-1.4 -3,-0.1 -1,-0.3 0.710 76.3 136.4 72.6 11.0 -22.2 -2.1 -13.1 24 34 A L G X + 0 0 29 -3,-1.0 3,-2.8 1,-0.3 357,-0.2 0.883 62.3 67.7 -56.3 -40.0 -18.3 -1.7 -13.5 25 35 A S G 3 S+ 0 0 102 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.694 92.5 61.5 -55.8 -20.7 -18.4 0.8 -10.5 26 36 A A G < S- 0 0 50 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.339 129.9 -74.1 -85.9 5.9 -19.4 -2.3 -8.4 27 37 A G <> - 0 0 8 -3,-2.8 4,-2.6 3,-0.1 -1,-0.2 0.152 39.6-104.2 108.3 134.8 -16.1 -4.0 -9.2 28 38 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.928 118.1 49.4 -56.7 -52.8 -14.9 -5.7 -12.4 29 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 113.9 48.3 -53.6 -47.2 -15.3 -9.3 -11.3 30 40 A E H > S+ 0 0 60 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.907 109.0 53.6 -52.9 -48.3 -18.8 -8.5 -10.2 31 41 A A H < S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.842 113.4 42.4 -62.4 -33.5 -19.5 -6.7 -13.5 32 42 A W H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.2 -1,-0.2 0.826 100.8 70.8 -79.9 -28.9 -18.4 -9.9 -15.4 33 43 A A H >< S+ 0 0 19 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.640 76.7 80.2 -65.9 -14.4 -20.3 -12.2 -13.0 34 44 A V G >< S+ 0 0 24 -4,-0.6 3,-1.3 -3,-0.4 -1,-0.3 0.727 81.9 68.4 -58.7 -22.5 -23.6 -10.9 -14.4 35 45 A L G < S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.576 96.7 54.4 -72.6 -11.6 -22.9 -13.3 -17.3 36 46 A Q G < S+ 0 0 20 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.228 75.5 124.7-110.2 12.6 -23.4 -16.1 -14.7 37 47 A E S X S- 0 0 109 -3,-1.3 3,-2.5 1,-0.1 -3,-0.0 -0.430 77.9-101.9 -68.7 152.7 -26.9 -15.1 -13.5 38 48 A S T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.630 118.5 52.4 -59.5 -23.4 -29.5 -18.0 -13.8 39 49 A N T 3 S+ 0 0 127 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.189 87.5 97.1 -96.0 14.1 -31.2 -16.7 -16.9 40 50 A V S < S- 0 0 8 -3,-2.5 -28,-0.1 16,-0.0 4,-0.1 -0.937 76.3-125.6-104.1 122.8 -28.0 -16.3 -18.9 41 51 A P - 0 0 46 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.126 22.3-111.5 -54.7 158.0 -27.2 -19.2 -21.2 42 52 A D S S+ 0 0 52 1,-0.2 14,-2.8 13,-0.1 15,-0.6 0.718 109.2 33.3 -62.7 -26.3 -23.8 -21.0 -21.0 43 53 A L E S+ B 0 55A 5 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.968 78.8 172.7-140.7 119.1 -22.9 -19.6 -24.4 44 54 A V E - B 0 54A 0 10,-2.2 10,-1.8 -2,-0.4 2,-0.4 -0.794 26.8-129.1-126.1 163.5 -24.1 -16.1 -25.5 45 55 A W E -aB 13 53A 9 -33,-2.9 -31,-2.9 -2,-0.3 2,-0.4 -0.960 18.8-164.6-111.7 130.2 -23.6 -13.7 -28.4 46 56 A T E - B 0 52A 0 6,-2.5 6,-1.9 -2,-0.4 -31,-0.2 -0.931 15.5-154.2-108.0 144.9 -22.8 -10.0 -27.8 47 57 A R > + 0 0 68 -2,-0.4 -45,-2.6 4,-0.2 3,-0.6 0.526 65.5 104.4 -89.1 -5.8 -23.2 -7.4 -30.5 48 58 A C G > S+ 0 0 18 -32,-0.4 3,-2.3 1,-0.2 -2,-0.1 -0.316 79.0 16.4 -70.4 157.0 -20.6 -5.2 -28.8 49 59 A N G 3 S- 0 0 51 1,-0.3 31,-0.3 2,-0.1 -1,-0.2 0.721 141.9 -43.1 58.6 33.9 -17.1 -4.8 -30.1 50 60 A G G < S- 0 0 60 -3,-0.6 -1,-0.3 29,-0.1 -2,-0.2 0.143 103.8 -75.9 99.4 -15.4 -17.8 -6.2 -33.5 51 61 A G < + 0 0 4 -3,-2.3 256,-0.3 1,-0.1 2,-0.3 0.371 64.9 164.1 89.4 128.9 -19.9 -9.1 -32.3 52 62 A H E -B 46 0A 0 -6,-1.9 -6,-2.5 254,-0.1 256,-0.2 -0.955 36.5-103.3-169.3 153.6 -18.5 -12.3 -30.7 53 63 A W E -Bc 45 308A 0 254,-2.7 256,-3.0 -2,-0.3 2,-0.3 -0.448 27.7-158.5 -74.8 158.9 -19.5 -15.3 -28.6 54 64 A I E -Bc 44 309A 0 -10,-1.8 -10,-2.2 254,-0.2 2,-0.5 -0.946 10.3-146.2-137.2 121.0 -18.7 -15.5 -24.8 55 65 A A E -B 43 0A 0 254,-2.1 -12,-0.2 -2,-0.3 259,-0.1 -0.799 17.4-171.4 -80.8 127.8 -18.5 -18.8 -23.0 56 66 A T + 0 0 0 -14,-2.8 2,-0.3 -2,-0.5 -13,-0.1 0.466 55.5 62.1-106.2 -6.9 -19.9 -17.9 -19.5 57 67 A R S > S- 0 0 11 -15,-0.6 4,-2.1 1,-0.1 3,-0.3 -0.926 80.1-119.6-126.2 151.3 -19.2 -21.0 -17.4 58 68 A G H > S+ 0 0 0 257,-0.4 4,-2.9 -2,-0.3 5,-0.3 0.850 108.1 59.7 -56.9 -42.9 -16.0 -22.9 -16.5 59 69 A Q H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.934 112.5 38.2 -53.0 -50.8 -17.0 -26.2 -18.2 60 70 A L H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.869 114.4 54.5 -68.1 -40.5 -17.2 -24.5 -21.6 61 71 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.947 112.2 43.6 -58.1 -52.4 -14.3 -22.2 -21.1 62 72 A R H X S+ 0 0 59 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.917 113.8 51.7 -55.8 -45.8 -12.0 -25.2 -20.2 63 73 A E H X S+ 0 0 64 -4,-2.1 4,-1.6 -5,-0.3 3,-0.4 0.934 110.4 46.9 -64.5 -45.7 -13.4 -27.3 -23.1 64 74 A A H < S+ 0 0 0 -4,-2.7 7,-0.3 1,-0.2 -1,-0.2 0.900 110.4 53.2 -61.9 -41.6 -12.8 -24.6 -25.8 65 75 A Y H < S+ 0 0 5 -4,-2.1 279,-0.6 -5,-0.2 280,-0.3 0.762 110.5 48.1 -63.5 -29.4 -9.3 -23.9 -24.5 66 76 A E H < S+ 0 0 110 -4,-1.6 2,-1.5 -3,-0.4 -1,-0.2 0.817 100.3 69.4 -73.3 -35.5 -8.5 -27.7 -24.8 67 77 A D >X + 0 0 37 -4,-1.6 4,-2.4 1,-0.2 3,-0.7 -0.585 53.1 159.9 -94.4 73.6 -9.9 -27.9 -28.4 68 78 A Y T 34 + 0 0 51 -2,-1.5 -1,-0.2 1,-0.2 5,-0.1 0.693 67.2 70.7 -65.6 -21.5 -7.3 -25.9 -30.3 69 79 A R T 34 S+ 0 0 176 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.859 115.2 22.1 -67.7 -37.9 -8.5 -27.6 -33.6 70 80 A H T <4 S+ 0 0 50 -3,-0.7 222,-2.3 1,-0.2 2,-0.8 0.764 126.3 53.2 -91.0 -32.9 -11.8 -25.8 -33.5 71 81 A F E < S-D 291 0A 0 -4,-2.4 2,-0.2 -7,-0.3 220,-0.2 -0.804 78.7-166.0-114.3 92.6 -10.8 -22.8 -31.3 72 82 A S E > -D 290 0A 7 218,-2.9 218,-2.4 -2,-0.8 3,-0.5 -0.520 27.0-150.1 -88.8 143.4 -7.7 -21.2 -32.8 73 83 A S T 3 S+ 0 0 1 -2,-0.2 -1,-0.1 216,-0.2 215,-0.1 0.324 75.2 103.0 -83.0 2.3 -5.3 -18.7 -31.2 74 84 A E T 3 S+ 0 0 125 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.891 99.0 20.0 -55.6 -39.9 -4.5 -17.2 -34.6 75 85 A C S < S+ 0 0 4 -3,-0.5 -1,-0.3 1,-0.1 9,-0.2 -0.780 79.2 160.3-130.5 84.4 -6.8 -14.3 -33.7 76 86 A P + 0 0 3 0, 0.0 212,-1.7 0, 0.0 2,-0.4 0.448 46.6 75.8 -92.2 -4.9 -7.1 -14.3 -29.9 77 87 A F S S- 0 0 24 3,-0.2 6,-0.7 210,-0.2 7,-0.2 -0.883 74.5-110.7-115.2 143.0 -8.3 -10.8 -29.1 78 88 A I S S+ 0 0 5 -2,-0.4 2,-0.2 4,-0.1 -28,-0.1 -0.925 96.1 54.8 -96.6 134.4 -11.5 -8.9 -29.4 79 89 A P S >> S- 0 0 41 0, 0.0 4,-1.7 0, 0.0 3,-0.8 0.539 88.5-131.4 -78.3 164.9 -11.9 -6.7 -31.4 80 90 A R H 3> S+ 0 0 92 -31,-0.3 4,-2.7 1,-0.2 -3,-0.2 0.847 102.3 59.2 -49.2 -45.3 -11.0 -8.7 -34.5 81 91 A E H 3> S+ 0 0 141 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.862 107.5 46.5 -60.4 -36.0 -8.6 -6.0 -35.9 82 92 A A H <> S+ 0 0 17 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.930 112.4 49.4 -67.9 -47.4 -6.3 -6.3 -32.8 83 93 A G H < S+ 0 0 0 -4,-1.7 -2,-0.2 -6,-0.7 -1,-0.2 0.889 110.7 53.5 -55.2 -41.7 -6.4 -10.1 -32.8 84 94 A E H < S+ 0 0 122 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.929 111.8 41.0 -60.0 -51.2 -5.4 -10.0 -36.5 85 95 A A H < S+ 0 0 28 -4,-1.9 2,-0.4 -5,-0.2 -1,-0.2 0.686 92.9 103.2 -70.0 -21.3 -2.3 -7.7 -36.1 86 96 A Y < + 0 0 18 -4,-1.5 -9,-0.1 -5,-0.2 98,-0.0 -0.504 36.1 159.7 -70.9 122.9 -1.2 -9.6 -33.0 87 97 A D + 0 0 38 -2,-0.4 -1,-0.1 -12,-0.1 5,-0.1 0.210 15.2 145.6-132.3 16.5 1.7 -11.9 -33.8 88 98 A F > - 0 0 2 3,-0.1 4,-2.1 1,-0.1 143,-0.2 -0.122 51.8 -91.7 -55.4 150.8 3.4 -12.7 -30.5 89 99 A I T 4 S- 0 0 1 141,-1.8 145,-0.3 1,-0.3 146,-0.2 -0.965 98.9 -0.5-116.2 130.2 4.9 -16.1 -29.9 90 100 A P T >4 S+ 0 0 11 0, 0.0 3,-2.1 0, 0.0 -1,-0.3 -0.979 122.0 66.8 -97.8 7.0 3.5 -18.4 -28.7 91 101 A T T 34 S+ 0 0 33 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.678 103.7 48.1 -63.6 -21.3 0.2 -16.8 -28.0 92 102 A S T 3< S+ 0 0 14 -4,-2.1 2,-0.3 -5,-0.1 -1,-0.3 0.397 102.4 81.2 -97.1 3.3 -0.7 -16.3 -31.7 93 103 A M < - 0 0 16 -3,-2.1 -5,-0.0 -5,-0.2 -6,-0.0 -0.797 64.8-143.4-111.7 153.0 0.1 -19.9 -32.7 94 104 A D > - 0 0 42 -2,-0.3 4,-1.8 -22,-0.1 3,-0.4 -0.749 39.7 -70.4-101.5 153.3 -1.7 -23.2 -32.4 95 105 A P T 4 S+ 0 0 6 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.446 109.2 44.2 -62.6 155.4 -0.2 -26.6 -31.6 96 106 A P T >4 S+ 0 0 85 0, 0.0 3,-0.8 0, 0.0 4,-0.5 -0.964 126.4 36.7 -80.1 -23.2 1.6 -28.5 -33.1 97 107 A E T >> S+ 0 0 96 -3,-0.4 4,-0.7 1,-0.2 3,-0.7 0.871 114.7 57.7 -53.8 -41.1 3.8 -25.6 -34.2 98 108 A Q H 3X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 3,-0.3 0.807 87.6 80.8 -60.0 -33.5 3.4 -23.8 -30.8 99 109 A R H <> S+ 0 0 132 -3,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.828 96.2 37.4 -47.8 -46.0 4.8 -26.7 -28.8 100 110 A Q H <> S+ 0 0 92 -3,-0.7 4,-2.1 -4,-0.5 -1,-0.2 0.822 112.9 54.2 -85.0 -29.5 8.5 -26.1 -29.3 101 111 A F H X S+ 0 0 0 -4,-0.7 4,-2.9 -3,-0.3 -2,-0.2 0.889 110.3 51.7 -61.4 -39.9 8.4 -22.3 -29.2 102 112 A R H X S+ 0 0 57 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.898 106.6 52.7 -61.5 -42.6 6.6 -22.9 -25.8 103 113 A A H X S+ 0 0 55 -4,-1.5 4,-1.0 -5,-0.2 -2,-0.2 0.897 111.8 46.1 -58.7 -43.9 9.5 -25.3 -24.8 104 114 A L H >X S+ 0 0 4 -4,-2.1 3,-1.0 2,-0.2 4,-0.6 0.966 112.2 49.1 -65.7 -52.6 12.0 -22.6 -25.6 105 115 A A H >X S+ 0 0 2 -4,-2.9 3,-1.9 1,-0.2 4,-1.3 0.913 105.7 60.6 -50.1 -43.7 10.1 -19.9 -23.8 106 116 A N H 3X S+ 0 0 69 -4,-2.7 4,-2.3 1,-0.3 -1,-0.2 0.811 94.5 61.5 -58.6 -31.4 9.8 -22.3 -20.8 107 117 A Q H << S+ 0 0 116 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.738 109.9 44.0 -60.1 -21.7 13.7 -22.4 -20.5 108 118 A V H << S+ 0 0 5 -3,-1.9 -2,-0.2 -4,-0.6 -1,-0.2 0.738 130.6 15.3-105.9 -25.2 13.5 -18.7 -19.8 109 119 A V H < S+ 0 0 15 -4,-1.3 243,-0.4 100,-0.1 -3,-0.2 0.465 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0.855 108.4 51.4 -68.0 -35.5 12.4 -4.7 -12.9 152 162 A I H X S+ 0 0 6 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.929 109.1 52.7 -65.8 -43.8 12.3 -8.5 -12.6 153 163 A F H X S+ 0 0 13 -4,-2.5 4,-3.3 1,-0.2 -2,-0.2 0.918 105.1 53.3 -54.4 -47.2 12.1 -8.7 -16.5 154 164 A M H X>S+ 0 0 9 -4,-2.2 5,-2.1 2,-0.2 4,-0.7 0.897 109.7 49.7 -56.2 -42.3 15.2 -6.5 -16.8 155 165 A L H ><5S+ 0 0 84 -4,-1.6 3,-0.8 2,-0.2 -2,-0.2 0.940 113.9 44.4 -59.1 -53.0 17.0 -9.0 -14.5 156 166 A L H 3<5S+ 0 0 24 -4,-2.6 53,-2.0 1,-0.2 -2,-0.2 0.934 120.4 40.6 -52.6 -50.3 15.8 -12.0 -16.6 157 167 A A H 3<5S- 0 0 0 -4,-3.3 -1,-0.2 51,-0.2 53,-0.2 0.361 103.7-124.0 -89.6 2.3 16.6 -10.3 -19.9 158 168 A G T <<5 + 0 0 43 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.909 56.5 154.2 53.4 46.4 20.0 -8.7 -18.9 159 169 A L < - 0 0 13 -5,-2.1 -1,-0.2 -6,-0.1 2,-0.2 -0.776 47.4-100.7-103.6 151.6 18.7 -5.3 -20.0 160 170 A P > - 0 0 60 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.465 20.4-125.6 -81.7 144.0 20.1 -2.1 -18.4 161 171 A E G > S+ 0 0 126 1,-0.3 3,-1.8 2,-0.2 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0.933 111.5 51.9 -69.3 -42.6 4.6 -1.3 -23.1 172 182 A D H 3X S+ 0 0 29 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.875 104.5 59.3 -55.0 -39.8 2.0 1.1 -21.6 173 183 A Q H 3< S+ 0 0 45 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.830 113.5 37.8 -59.0 -34.7 1.4 2.4 -25.2 174 184 A M H << S+ 0 0 13 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.906 125.4 33.6 -79.7 -47.7 0.5 -1.1 -26.3 175 185 A T H < S+ 0 0 51 -4,-2.6 -3,-0.2 1,-0.3 211,-0.2 0.668 121.6 42.4 -95.6 -20.7 -1.5 -2.4 -23.2 176 186 A R S < S- 0 0 108 -4,-2.6 -1,-0.3 -5,-0.3 2,-0.2 -0.639 83.7-172.8-116.2 71.1 -3.2 0.7 -21.9 177 187 A P - 0 0 89 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.474 20.6-168.5 -73.6 135.5 -4.3 2.2 -25.3 178 188 A D - 0 0 129 -2,-0.2 -5,-0.0 -5,-0.2 0, 0.0 0.330 53.9-102.6 -96.9 3.8 -5.8 5.7 -25.3 179 189 A G S S+ 0 0 70 2,-0.3 3,-0.1 0, 0.0 0, 0.0 0.365 97.0 110.8 91.7 -4.4 -7.0 5.3 -28.9 180 190 A S S S+ 0 0 87 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.690 82.2 27.4 -77.4 -21.9 -4.2 7.5 -30.3 181 191 A M S S- 0 0 48 -8,-0.1 -2,-0.3 -7,-0.0 -1,-0.2 -0.999 83.0-114.0-139.7 146.0 -2.5 4.6 -32.0 182 192 A T > - 0 0 71 -2,-0.3 4,-1.9 1,-0.1 3,-0.5 -0.280 36.1-109.9 -63.8 158.3 -3.6 1.2 -33.4 183 193 A F H > S+ 0 0 43 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.905 120.8 58.4 -51.6 -43.4 -2.4 -1.9 -31.7 184 194 A A H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.818 105.4 47.9 -59.2 -35.4 -0.2 -2.5 -34.8 185 195 A E H > S+ 0 0 103 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.886 112.0 49.3 -73.2 -38.5 1.6 0.9 -34.4 186 196 A A H X S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.897 111.0 50.6 -66.8 -40.3 2.2 0.2 -30.7 187 197 A K H X S+ 0 0 16 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.916 109.5 50.3 -62.4 -43.9 3.6 -3.3 -31.5 188 198 A E H X S+ 0 0 94 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.919 108.1 52.1 -63.8 -45.1 6.0 -1.9 -34.2 189 199 A A H X S+ 0 0 26 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.917 112.9 46.1 -53.6 -47.5 7.3 0.8 -31.8 190 200 A L H >X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 3,-0.9 0.939 111.3 51.5 -61.3 -48.9 8.0 -2.0 -29.3 191 201 A Y H 3X S+ 0 0 0 -4,-3.1 4,-3.4 1,-0.2 -2,-0.2 0.875 101.5 62.2 -54.5 -41.9 9.6 -4.2 -32.0 192 202 A D H 3< S+ 0 0 106 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.773 106.6 46.0 -54.7 -32.1 11.9 -1.2 -32.9 193 203 A Y H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.1 3,-0.5 0.879 99.1 73.7 -65.6 -42.6 13.8 -5.2 -29.5 195 205 A I H 3X S+ 0 0 74 -4,-3.4 4,-2.1 1,-0.2 3,-0.4 0.873 100.2 41.6 -43.6 -60.6 15.0 -5.7 -33.1 196 206 A P H 3> S+ 0 0 53 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.829 111.9 55.7 -59.3 -35.7 18.6 -4.3 -32.5 197 207 A I H X S+ 0 0 137 -4,-2.1 4,-2.2 1,-0.2 3,-0.8 0.965 111.5 47.8 -49.4 -59.0 20.7 -8.7 -33.6 200 210 A Q H 3X S+ 0 0 106 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.812 114.2 45.9 -48.6 -41.3 23.4 -7.9 -31.1 201 211 A R H 3< S+ 0 0 39 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.605 107.9 54.9 -93.7 -12.7 22.8 -11.0 -29.1 202 212 A R H << S+ 0 0 86 -4,-2.1 -2,-0.2 -3,-0.8 -1,-0.2 0.822 116.7 39.3 -76.6 -38.4 22.7 -13.3 -32.1 203 213 A Q H < S+ 0 0 144 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.918 136.7 18.8 -73.2 -44.0 26.1 -12.0 -33.0 204 214 A K S < S- 0 0 153 -4,-2.7 -1,-0.2 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