==== 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 25-AUG-10 3OL5 . 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 . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 67.7 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 . 57 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 37.5 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 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 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 0 199 0, 0.0 2,-0.5 0, 0.0 49,-0.5 0.000 360.0 360.0 360.0 141.5 -22.2 -38.1 31.7 2 11 A L - 0 0 94 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.896 360.0-132.2 -96.8 130.0 -24.0 -34.8 31.9 3 12 A A - 0 0 26 45,-3.0 2,-0.0 -2,-0.5 49,-0.0 -0.563 35.1 -92.9 -77.9 146.0 -23.1 -32.6 34.9 4 13 A P - 0 0 119 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.352 47.0-102.7 -64.8 136.4 -26.0 -31.2 36.9 5 14 A L - 0 0 44 1,-0.1 6,-0.1 2,-0.1 43,-0.0 -0.393 35.7-122.8 -61.7 119.6 -26.9 -27.7 35.7 6 15 A P > - 0 0 35 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.354 23.6-116.8 -62.6 145.8 -25.5 -25.1 38.2 7 16 A P T 3 S+ 0 0 142 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.717 109.2 62.2 -67.9 -16.2 -28.3 -22.9 39.5 8 17 A H T 3 S+ 0 0 48 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.633 86.7 89.5 -77.1 -12.7 -27.0 -19.6 38.0 9 18 A V S < S- 0 0 5 -3,-2.0 2,-0.1 292,-0.1 5,-0.1 -0.764 76.3-134.9 -91.2 115.8 -27.4 -21.0 34.4 10 19 A P > - 0 0 52 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.400 15.8-126.1 -68.5 145.1 -30.8 -20.4 32.7 11 20 A E G > S+ 0 0 164 1,-0.3 3,-1.5 2,-0.2 35,-0.1 0.777 103.9 67.9 -65.9 -25.5 -32.2 -23.4 30.9 12 21 A H G 3 S+ 0 0 141 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.614 96.7 55.4 -69.5 -12.3 -32.6 -21.6 27.6 13 22 A L G < S+ 0 0 12 -3,-1.8 33,-2.9 32,-0.1 2,-0.5 0.400 81.5 114.7 -97.6 2.7 -28.8 -21.3 27.2 14 23 A V B < +a 46 0A 29 -3,-1.5 2,-0.4 31,-0.2 33,-0.2 -0.642 27.3 157.1 -85.9 119.2 -28.2 -25.1 27.5 15 24 A F - 0 0 59 31,-2.5 2,-2.4 -2,-0.5 30,-0.1 -0.936 36.1-141.1-139.4 110.5 -26.9 -26.8 24.4 16 25 A D + 0 0 63 -2,-0.4 2,-0.3 31,-0.2 31,-0.1 -0.361 33.1 168.8 -84.2 65.7 -25.1 -30.0 25.3 17 26 A F - 0 0 16 -2,-2.4 2,-0.7 32,-0.1 32,-0.3 -0.589 24.7-150.1 -73.4 133.2 -22.2 -29.9 22.8 18 27 A D > - 0 0 48 -2,-0.3 3,-1.6 3,-0.1 -2,-0.1 -0.883 5.6-165.9-107.5 104.0 -19.4 -32.5 23.4 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.670 88.8 49.9 -66.0 -15.8 -16.1 -31.0 22.2 20 29 A Y T 3 S+ 0 0 81 1,-0.2 364,-0.4 365,-0.1 -1,-0.3 0.528 130.2 13.7 -97.9 -7.3 -14.4 -34.4 22.3 21 30 A N S < S- 0 0 107 -3,-1.6 -1,-0.2 362,-0.1 -2,-0.2 -0.365 78.6-171.2-162.6 65.1 -17.1 -36.3 20.3 22 31 A P > - 0 0 3 0, 0.0 3,-1.2 0, 0.0 11,-0.1 -0.346 35.9 -98.5 -69.9 150.6 -19.5 -33.9 18.6 23 32 A S T 3 S+ 0 0 108 1,-0.3 -2,-0.0 9,-0.1 -6,-0.0 -0.332 108.2 18.1 -65.9 146.3 -22.6 -35.4 16.9 24 33 A N T > S+ 0 0 108 1,-0.1 3,-1.7 -3,-0.1 -1,-0.3 0.830 71.1 150.8 57.9 30.9 -22.2 -35.9 13.1 25 34 A L G X + 0 0 31 -3,-1.2 3,-2.2 1,-0.2 357,-0.2 0.792 64.4 76.9 -49.7 -30.4 -18.3 -35.7 13.4 26 35 A S G 3 S+ 0 0 106 1,-0.3 -1,-0.2 355,-0.1 3,-0.1 0.751 84.8 60.0 -57.1 -27.1 -18.7 -38.0 10.4 27 36 A A G < S- 0 0 51 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.475 130.6 -70.6 -77.4 -6.0 -19.6 -34.9 8.2 28 37 A G <> - 0 0 8 -3,-2.2 4,-2.0 -4,-0.1 -1,-0.3 -0.121 41.8-106.4 117.9 140.2 -16.3 -33.2 9.0 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.926 117.6 50.2 -71.6 -40.4 -15.0 -31.7 12.2 30 39 A Q H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 112.9 49.2 -58.5 -43.5 -15.3 -28.0 11.3 31 40 A E H > S+ 0 0 71 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.871 107.9 54.9 -60.6 -39.6 -18.9 -28.7 10.1 32 41 A A H >< S+ 0 0 5 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.860 111.8 42.8 -65.2 -37.3 -19.6 -30.5 13.4 33 42 A W H >< S+ 0 0 0 -4,-2.1 3,-2.2 1,-0.2 -1,-0.2 0.812 100.9 70.0 -75.6 -29.8 -18.5 -27.5 15.4 34 43 A A H >< S+ 0 0 20 -4,-2.0 3,-2.0 1,-0.3 -1,-0.2 0.620 76.0 82.7 -68.6 -9.4 -20.4 -25.1 13.1 35 44 A V G X< S+ 0 0 55 -3,-0.5 3,-1.4 -4,-0.5 -1,-0.3 0.785 81.1 67.4 -56.9 -28.7 -23.7 -26.5 14.5 36 45 A L G < S+ 0 0 5 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.610 96.1 54.9 -67.2 -9.9 -23.0 -24.0 17.3 37 46 A Q G < S+ 0 0 22 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.2 0.189 74.8 125.6-112.2 12.6 -23.6 -21.2 14.7 38 47 A E S X S- 0 0 107 -3,-1.4 3,-2.4 1,-0.1 -3,-0.0 -0.414 76.9-105.0 -71.2 154.1 -27.1 -22.2 13.5 39 48 A S T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.681 116.9 55.8 -64.8 -20.3 -29.6 -19.4 13.9 40 49 A N T 3 S+ 0 0 107 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.376 88.4 95.6 -88.2 1.9 -31.4 -20.8 16.9 41 50 A V S < S- 0 0 15 -3,-2.4 4,-0.1 -6,-0.1 -28,-0.1 -0.861 75.4-126.6 -99.5 124.1 -28.2 -21.0 19.0 42 51 A P - 0 0 36 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.132 23.5-111.3 -58.1 161.6 -27.3 -18.1 21.3 43 52 A D S S+ 0 0 50 1,-0.2 14,-2.9 256,-0.1 15,-0.6 0.703 109.8 33.2 -63.9 -28.0 -24.0 -16.3 21.1 44 53 A L E S+ B 0 56A 5 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.985 78.2 172.6-137.0 119.3 -23.1 -17.8 24.6 45 54 A V E - B 0 55A 0 10,-2.2 10,-2.2 -2,-0.4 2,-0.4 -0.850 26.0-131.2-124.3 161.7 -24.3 -21.2 25.6 46 55 A W E -aB 14 54A 10 -33,-2.9 -31,-2.5 -2,-0.3 2,-0.4 -0.966 17.3-163.0-111.8 129.7 -23.7 -23.7 28.5 47 56 A T E - B 0 53A 0 6,-2.8 6,-2.2 -2,-0.4 -31,-0.2 -0.921 15.0-153.8-105.4 143.1 -23.0 -27.4 27.8 48 57 A R > + 0 0 76 -2,-0.4 -45,-3.0 4,-0.2 3,-0.5 0.466 66.3 104.9 -89.5 -0.8 -23.4 -30.0 30.6 49 58 A C G > S+ 0 0 12 -32,-0.3 3,-2.1 1,-0.2 -2,-0.1 -0.383 77.4 17.9 -75.5 156.3 -20.8 -32.2 28.9 50 59 A N G 3 S- 0 0 48 -49,-0.5 31,-0.3 1,-0.3 -1,-0.2 0.830 142.8 -44.1 55.9 38.8 -17.2 -32.7 30.1 51 60 A G G < S- 0 0 64 -3,-0.5 -1,-0.3 -50,-0.4 -2,-0.1 0.182 105.3 -77.0 92.0 -16.0 -18.0 -31.3 33.6 52 61 A G < + 0 0 4 -3,-2.1 256,-0.3 1,-0.1 2,-0.3 0.389 64.1 164.2 94.0 131.4 -20.1 -28.4 32.3 53 62 A H E -B 47 0A 0 -6,-2.2 -6,-2.8 254,-0.1 256,-0.2 -0.981 36.0 -96.7-169.1 157.4 -18.8 -25.2 30.8 54 63 A W E -Bc 46 309A 0 254,-2.7 256,-3.0 -2,-0.3 2,-0.3 -0.481 28.8-161.0 -75.6 155.1 -19.6 -22.1 28.7 55 64 A I E -Bc 45 310A 0 -10,-2.2 -10,-2.2 254,-0.2 2,-0.5 -0.954 10.5-147.9-134.7 122.7 -18.9 -21.9 25.0 56 65 A A E -B 44 0A 0 254,-2.1 -12,-0.2 -2,-0.3 259,-0.1 -0.795 15.7-171.0 -83.1 128.6 -18.8 -18.6 23.1 57 66 A T + 0 0 0 -14,-2.9 2,-0.3 -2,-0.5 -13,-0.1 0.535 55.0 63.5-103.0 -7.4 -20.1 -19.4 19.6 58 67 A R S >> S- 0 0 16 -15,-0.6 4,-2.4 1,-0.1 3,-0.5 -0.922 78.8-120.4-126.9 148.4 -19.3 -16.2 17.6 59 68 A G H 3> S+ 0 0 0 -2,-0.3 4,-2.8 256,-0.3 5,-0.3 0.834 109.0 58.4 -52.6 -42.0 -16.2 -14.4 16.6 60 69 A Q H 3> S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 112.4 38.3 -58.8 -47.0 -17.1 -11.2 18.3 61 70 A L H <> S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.870 114.4 54.7 -71.7 -39.7 -17.4 -12.8 21.8 62 71 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.945 112.2 44.2 -56.8 -49.2 -14.4 -15.1 21.2 63 72 A R H X S+ 0 0 57 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.950 113.0 51.4 -60.7 -47.2 -12.2 -12.1 20.4 64 73 A E H X S+ 0 0 72 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.902 110.5 47.4 -61.3 -43.5 -13.6 -10.0 23.3 65 74 A A H < S+ 0 0 0 -4,-2.6 7,-0.2 1,-0.2 -1,-0.2 0.896 109.5 53.3 -66.3 -39.5 -12.9 -12.7 25.9 66 75 A Y H < S+ 0 0 5 -4,-1.9 279,-0.5 -5,-0.2 -1,-0.2 0.809 110.4 49.0 -65.3 -27.8 -9.4 -13.4 24.7 67 76 A E H < S+ 0 0 106 -4,-1.7 2,-1.4 1,-0.2 -1,-0.2 0.797 99.7 69.8 -74.8 -32.1 -8.7 -9.6 25.1 68 77 A D >X + 0 0 37 -4,-1.5 4,-2.4 1,-0.2 3,-0.7 -0.552 52.1 157.4 -94.8 72.7 -10.1 -9.5 28.6 69 78 A Y T 34 + 0 0 55 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.718 67.5 70.0 -69.2 -21.0 -7.5 -11.4 30.6 70 79 A R T 34 S+ 0 0 180 -3,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.881 116.4 22.2 -62.6 -37.8 -8.6 -9.7 33.8 71 80 A H T <4 S+ 0 0 49 -3,-0.7 222,-2.0 1,-0.2 2,-0.7 0.750 125.8 52.4 -96.4 -30.9 -11.8 -11.6 33.8 72 81 A F E < S-D 292 0A 0 -4,-2.4 220,-0.2 -7,-0.2 -1,-0.2 -0.837 78.8-165.3-117.1 95.1 -10.9 -14.6 31.6 73 82 A S E > -D 291 0A 5 218,-2.6 218,-2.1 -2,-0.7 3,-0.5 -0.493 26.5-148.3 -90.7 146.1 -7.7 -16.2 33.0 74 83 A S T 3 S+ 0 0 1 216,-0.2 -1,-0.1 1,-0.2 215,-0.1 0.328 76.6 100.7 -86.2 3.4 -5.3 -18.7 31.4 75 84 A E T 3 S+ 0 0 140 1,-0.3 -1,-0.2 216,-0.2 12,-0.1 0.891 99.7 21.9 -56.8 -36.4 -4.6 -20.3 34.7 76 85 A C S < S+ 0 0 4 -3,-0.5 -1,-0.3 1,-0.1 9,-0.2 -0.723 77.1 157.7-130.7 79.8 -7.0 -23.1 33.8 77 86 A P + 0 0 4 0, 0.0 212,-2.0 0, 0.0 2,-0.4 0.431 47.1 76.4 -90.8 0.4 -7.3 -23.1 30.0 78 87 A F S S- 0 0 24 3,-0.2 6,-0.6 210,-0.2 7,-0.1 -0.885 74.2-110.2-119.6 145.3 -8.5 -26.7 29.3 79 88 A I S S+ 0 0 5 -2,-0.4 2,-0.1 4,-0.1 307,-0.1 -0.938 96.8 52.9-101.8 130.6 -11.7 -28.6 29.5 80 89 A P S >> S- 0 0 44 0, 0.0 4,-1.6 0, 0.0 3,-0.9 0.493 88.6-131.8 -81.8 163.4 -12.1 -30.8 31.5 81 90 A R H 3> S+ 0 0 91 -31,-0.3 4,-2.2 1,-0.2 -3,-0.2 0.848 101.5 61.3 -49.7 -43.8 -11.1 -28.8 34.7 82 91 A E H 3> S+ 0 0 142 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.862 105.9 46.2 -56.2 -39.5 -8.7 -31.4 36.0 83 92 A A H <> S+ 0 0 25 -3,-0.9 4,-0.8 2,-0.2 -1,-0.2 0.904 111.3 52.5 -66.8 -42.8 -6.4 -31.2 32.9 84 93 A G H < S+ 0 0 0 -4,-1.6 -2,-0.2 -6,-0.6 3,-0.2 0.849 108.0 53.5 -60.6 -35.5 -6.5 -27.4 33.0 85 94 A E H < S+ 0 0 134 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.887 106.6 47.7 -69.7 -43.0 -5.4 -27.5 36.7 86 95 A A H < S+ 0 0 33 -4,-1.4 2,-0.4 -3,-0.0 -1,-0.2 0.648 89.9 107.0 -70.0 -16.7 -2.2 -29.7 36.3 87 96 A Y < + 0 0 22 -4,-0.8 -9,-0.0 -3,-0.2 98,-0.0 -0.514 30.6 157.3 -77.8 122.2 -1.0 -27.6 33.3 88 97 A D + 0 0 34 -2,-0.4 -1,-0.1 2,-0.0 5,-0.1 0.117 19.4 144.3-131.6 20.1 1.9 -25.3 34.0 89 98 A F > - 0 0 3 3,-0.1 4,-2.1 145,-0.1 143,-0.2 -0.279 51.6 -94.7 -63.5 149.1 3.5 -24.6 30.6 90 99 A I T 4 S+ 0 0 3 141,-1.7 145,-0.2 1,-0.2 146,-0.2 -0.962 96.1 0.1-117.4 131.4 4.9 -21.1 30.0 91 100 A P T >4 S+ 0 0 10 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.985 123.2 66.1 -93.9 1.7 3.6 -18.7 28.8 92 101 A T T 34 S+ 0 0 35 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.644 102.9 46.3 -63.4 -22.1 0.3 -20.4 28.1 93 102 A S T 3< S+ 0 0 19 -4,-2.1 2,-0.3 -5,-0.1 -1,-0.3 0.371 102.6 84.4 -99.3 4.9 -0.7 -21.0 31.8 94 103 A M < - 0 0 13 -3,-1.9 -6,-0.0 -5,-0.2 -5,-0.0 -0.757 64.7-145.2-110.2 150.6 0.2 -17.4 32.8 95 104 A D > - 0 0 42 -2,-0.3 4,-2.0 -22,-0.1 3,-0.4 -0.771 38.8 -69.0-102.3 155.5 -1.7 -14.1 32.5 96 105 A P T 4 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.436 109.8 43.4 -60.6 154.0 -0.3 -10.7 31.8 97 106 A P T >4 S+ 0 0 87 0, 0.0 3,-1.0 0, 0.0 4,-0.5 -0.967 126.8 36.8 -75.3 -23.6 1.5 -8.8 33.3 98 107 A E T >> S+ 0 0 101 -3,-0.4 4,-0.7 1,-0.3 3,-0.6 0.871 112.9 59.6 -61.5 -38.2 3.7 -11.7 34.3 99 108 A Q H 3X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 3,-0.3 0.804 87.0 80.2 -56.7 -34.3 3.3 -13.5 31.0 100 109 A R H <> S+ 0 0 133 -3,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.847 96.5 36.4 -47.5 -51.6 4.8 -10.5 29.0 101 110 A Q H <> S+ 0 0 93 -3,-0.6 4,-1.6 -4,-0.5 -1,-0.2 0.774 114.5 55.5 -82.2 -24.6 8.5 -11.0 29.5 102 111 A F H X S+ 0 0 1 -4,-0.7 4,-2.3 -3,-0.3 -2,-0.2 0.902 109.3 49.4 -65.4 -42.4 8.3 -14.8 29.3 103 112 A R H X S+ 0 0 59 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.933 107.2 54.8 -58.9 -45.8 6.6 -14.3 26.0 104 113 A A H X S+ 0 0 57 -4,-2.0 4,-0.8 -5,-0.2 -1,-0.2 0.877 108.8 48.1 -55.1 -40.6 9.4 -12.0 24.9 105 114 A L H >X S+ 0 0 3 -4,-1.6 3,-0.9 1,-0.2 4,-0.6 0.931 109.9 50.4 -69.7 -45.0 12.0 -14.7 25.7 106 115 A A H >X S+ 0 0 2 -4,-2.3 4,-1.2 1,-0.2 3,-1.1 0.855 103.9 62.3 -58.2 -33.9 10.1 -17.4 23.8 107 116 A N H 3X S+ 0 0 72 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.802 92.0 64.3 -66.4 -27.3 9.9 -15.0 20.8 108 117 A Q H << S+ 0 0 116 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.785 108.6 40.8 -62.8 -28.1 13.7 -14.9 20.6 109 118 A V H << S+ 0 0 6 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.680 131.3 19.5-101.9 -17.5 13.7 -18.6 19.7 110 119 A V H < S+ 0 0 16 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153 162 A I H X S+ 0 0 7 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.926 109.2 50.6 -61.4 -43.5 12.3 -28.7 12.7 154 163 A F H X S+ 0 0 16 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.914 106.5 54.2 -60.0 -43.6 12.2 -28.7 16.5 155 164 A M H X>S+ 0 0 9 -4,-2.3 5,-2.4 1,-0.2 4,-0.5 0.879 110.7 46.9 -59.2 -38.1 15.3 -30.9 16.8 156 165 A L H ><5S+ 0 0 68 -4,-1.7 3,-0.8 2,-0.2 -2,-0.2 0.944 114.2 46.5 -67.8 -48.8 17.2 -28.4 14.5 157 166 A L H 3<5S+ 0 0 27 -4,-2.5 53,-2.4 1,-0.2 -2,-0.2 0.893 119.8 40.0 -55.7 -45.3 15.9 -25.4 16.5 158 167 A A H 3<5S- 0 0 0 -4,-3.0 -1,-0.2 51,-0.2 53,-0.2 0.363 105.8-122.4 -94.8 1.7 16.8 -27.0 19.9 159 168 A G T <<5 + 0 0 40 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.898 57.6 152.8 59.1 44.2 20.1 -28.6 18.9 160 169 A L < - 0 0 13 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.1 -0.797 48.7 -99.2-106.5 149.3 18.9 -32.1 19.8 161 170 A P > - 0 0 58 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.421 20.1-128.0 -73.9 142.3 20.2 -35.3 18.3 162 171 A E G > S+ 0 0 139 1,-0.3 3,-1.8 2,-0.2 -7,-0.0 0.808 106.4 67.5 -48.9 -37.7 18.3 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-33.1 32.0 193 202 A D H 3< S+ 0 0 108 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.826 106.1 44.8 -59.5 -34.3 12.2 -36.1 32.9 194 203 A Y H S+ 0 0 55 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.842 112.7 53.0 -63.3 -33.9 19.0 -33.1 32.4 198 207 A I H X S+ 0 0 16 -4,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.889 109.4 48.7 -68.5 -39.9 19.4 -31.2 29.1 199 208 A I H X S+ 0 0 4 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.921 111.0 51.0 -62.6 -44.2 18.5 -27.9 30.7 200 209 A E H >X S+ 0 0 132 -4,-2.1 4,-1.5 -5,-0.2 3,-0.5 0.945 111.9 48.2 -55.8 -49.9 21.0 -28.7 33.6 201 210 A Q H 3X S+ 0 0 103 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.852 112.8 46.9 -59.2 -39.9 23.7 -29.4 30.9 202 211 A R H 3< S+ 0 0 41 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.608 106.4 56.1 -88.5 -12.2 23.0 -26.2 28.9 203 212 A R H << S+ 0 0 87 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.789 114.5 42.0 -79.9 -31.0 23.0 -23.9 31.9 204 213 A Q H < S+ 0 0 140 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.889 135.5 15.9 -77.6 -45.3 26.5 -25.2 32.8 205 214 A K S < S- 0 0 154 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.737 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