==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-DEC-09 3L62 . COMPND 2 MOLECULE: CAMPHOR 5-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR Y.-T.LEE,R.F.WILSON,I.RUPNIEWSKI,D.B.GOODIN . 400 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 67.2 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 . 34 8.5 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 . 19 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 37.2 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 . 2 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 0 182 0, 0.0 49,-0.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -22.0 -22.5 37.9 -31.1 2 11 A L B -A 49 0A 70 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.821 360.0-132.5 -92.7 128.6 -24.2 34.5 -31.5 3 12 A A - 0 0 24 45,-3.1 2,-0.1 -2,-0.5 49,-0.0 -0.543 38.2 -91.3 -75.1 147.1 -23.2 32.5 -34.6 4 13 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.397 47.4-102.9 -64.5 141.1 -26.2 31.0 -36.5 5 14 A L - 0 0 51 1,-0.1 6,-0.1 -2,-0.1 43,-0.0 -0.389 33.8-121.8 -66.4 122.3 -27.2 27.5 -35.4 6 15 A P > - 0 0 35 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.334 22.2-118.4 -63.0 148.5 -26.0 24.8 -37.8 7 16 A P T 3 S+ 0 0 141 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.714 110.1 60.4 -67.6 -15.4 -28.8 22.7 -39.1 8 17 A H T 3 S+ 0 0 47 2,-0.1 291,-0.2 1,-0.0 -3,-0.0 0.633 86.7 88.8 -80.7 -13.4 -27.5 19.4 -37.5 9 18 A V S < S- 0 0 6 -3,-1.7 2,-0.1 289,-0.1 5,-0.1 -0.762 76.8-135.4 -92.3 115.8 -27.7 20.8 -34.0 10 19 A P > - 0 0 51 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.443 14.4-128.3 -71.4 139.3 -31.1 20.3 -32.3 11 20 A E G > S+ 0 0 162 1,-0.3 3,-1.9 2,-0.2 35,-0.1 0.784 102.6 68.6 -58.6 -29.5 -32.4 23.4 -30.5 12 21 A H G 3 S+ 0 0 144 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.629 96.9 55.1 -68.9 -12.4 -33.0 21.5 -27.2 13 22 A L G < S+ 0 0 13 -3,-1.9 33,-2.7 28,-0.1 2,-0.4 0.370 82.3 117.5 -96.6 3.1 -29.2 21.2 -26.8 14 23 A V B < +b 46 0B 38 -3,-1.9 2,-0.3 31,-0.2 33,-0.2 -0.590 27.4 159.0 -82.3 127.1 -28.6 24.9 -27.1 15 24 A F - 0 0 56 31,-2.6 2,-2.4 -2,-0.4 30,-0.1 -0.897 34.0-142.2-145.8 107.4 -27.1 26.7 -24.1 16 25 A D + 0 0 61 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.350 34.3 165.1 -81.1 66.9 -25.5 30.0 -24.9 17 26 A F - 0 0 11 -2,-2.4 2,-0.7 32,-0.1 32,-0.3 -0.668 26.2-151.3 -81.9 130.0 -22.5 29.8 -22.5 18 27 A D > - 0 0 43 -2,-0.4 3,-1.3 3,-0.2 -2,-0.1 -0.878 4.2-164.1-104.3 107.2 -19.7 32.4 -23.3 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.703 90.2 48.9 -66.7 -17.7 -16.4 30.9 -22.1 20 29 A Y T 3 S+ 0 0 81 1,-0.2 361,-0.4 360,-0.0 -1,-0.3 0.582 129.9 17.0 -94.9 -10.3 -14.7 34.4 -22.3 21 30 A N S < S- 0 0 108 -3,-1.3 -1,-0.2 359,-0.1 -3,-0.2 -0.337 79.6-171.1-157.5 64.5 -17.5 36.2 -20.3 22 31 A P > - 0 0 3 0, 0.0 3,-1.5 0, 0.0 11,-0.1 -0.297 31.0-114.8 -67.1 148.7 -19.7 33.8 -18.4 23 32 A S T 3 S+ 0 0 126 1,-0.3 3,-0.4 9,-0.2 9,-0.1 0.867 108.1 41.0 -53.2 -48.4 -22.9 35.2 -16.8 24 33 A N T > S+ 0 0 92 8,-0.2 3,-1.9 1,-0.2 -1,-0.3 0.147 71.6 132.1 -99.2 37.0 -22.1 34.7 -13.1 25 34 A L G X + 0 0 34 -3,-1.5 3,-2.3 1,-0.3 354,-0.3 0.806 64.6 63.0 -51.4 -43.2 -18.4 35.7 -13.2 26 35 A S G 3 S+ 0 0 101 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.770 98.4 58.7 -55.5 -28.6 -18.6 38.0 -10.1 27 36 A A G < S- 0 0 52 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.400 131.4 -67.7 -79.2 -0.4 -19.6 35.0 -8.0 28 37 A G <> - 0 0 8 -3,-2.3 4,-2.2 -4,-0.2 -1,-0.3 -0.003 40.9-109.4 114.9 134.9 -16.3 33.2 -8.8 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.911 116.7 49.1 -66.6 -43.3 -15.1 31.7 -12.1 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 113.2 49.2 -60.5 -42.3 -15.5 28.0 -11.2 31 40 A E H 4 S+ 0 0 67 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.894 108.5 54.1 -59.4 -39.7 -19.0 28.7 -9.9 32 41 A A H >< S+ 0 0 2 -4,-2.2 3,-0.8 1,-0.2 -8,-0.2 0.908 112.4 43.3 -63.8 -41.5 -19.8 30.6 -13.2 33 42 A W H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 -1,-0.2 0.806 101.8 68.2 -72.1 -32.1 -18.7 27.5 -15.2 34 43 A A G >< S+ 0 0 21 -4,-2.0 3,-2.0 1,-0.3 -1,-0.2 0.583 76.4 83.1 -70.1 -8.4 -20.5 25.1 -12.9 35 44 A V G X S+ 0 0 40 -3,-0.8 3,-1.5 -4,-0.5 -1,-0.3 0.803 81.4 66.9 -58.3 -25.9 -23.8 26.5 -14.2 36 45 A L G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.584 96.2 55.0 -70.0 -8.9 -23.2 24.0 -17.0 37 46 A Q G < S+ 0 0 22 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.246 77.3 122.3-110.7 8.9 -23.7 21.2 -14.4 38 47 A E S X S- 0 0 102 -3,-1.5 3,-2.1 1,-0.1 -3,-0.0 -0.383 78.1-106.9 -67.9 152.3 -27.1 22.4 -13.3 39 48 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.688 116.4 58.7 -61.7 -25.1 -29.8 19.7 -13.7 40 49 A N T 3 S+ 0 0 115 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.340 91.0 89.6 -83.0 4.4 -31.6 21.4 -16.7 41 50 A V S < S- 0 0 5 -3,-2.1 4,-0.1 -6,-0.1 -28,-0.1 -0.927 75.9-131.6-110.6 120.1 -28.3 21.2 -18.7 42 51 A P - 0 0 47 0, 0.0 15,-0.1 0, 0.0 3,-0.1 -0.117 26.2-107.8 -58.5 162.3 -27.5 18.1 -20.8 43 52 A D S S+ 0 0 54 1,-0.2 14,-2.8 13,-0.1 15,-0.7 0.722 111.1 32.4 -63.7 -27.4 -24.2 16.3 -20.7 44 53 A L E S+ C 0 56B 6 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.989 77.9 171.0-137.4 120.3 -23.4 17.8 -24.1 45 54 A V E - C 0 55B 0 10,-2.4 10,-2.5 -2,-0.4 2,-0.5 -0.843 27.3-129.4-126.5 165.5 -24.6 21.2 -25.3 46 55 A W E -bC 14 54B 8 -33,-2.7 -31,-2.6 -2,-0.3 2,-0.4 -0.975 18.2-162.8-115.0 129.3 -24.1 23.6 -28.2 47 56 A T E - C 0 53B 0 6,-2.9 6,-2.3 -2,-0.5 -31,-0.2 -0.910 15.2-153.8-105.9 142.2 -23.4 27.3 -27.5 48 57 A R > + 0 0 79 -2,-0.4 -45,-3.1 4,-0.2 3,-0.6 0.515 66.6 105.0 -86.1 -6.1 -23.8 29.9 -30.3 49 58 A C B > S+A 2 0A 8 -32,-0.3 3,-2.0 -47,-0.2 -47,-0.1 -0.347 78.7 15.1 -68.6 154.1 -21.2 32.1 -28.6 50 59 A N T 3 S- 0 0 43 -49,-0.6 31,-0.2 1,-0.3 -1,-0.2 0.822 142.3 -39.5 58.1 39.3 -17.6 32.5 -30.0 51 60 A G T < S- 0 0 63 -3,-0.6 -1,-0.3 -50,-0.4 -2,-0.1 0.077 105.3 -78.9 100.2 -21.6 -18.3 31.0 -33.5 52 61 A G < + 0 0 11 -3,-2.0 253,-0.4 1,-0.1 2,-0.3 0.426 65.8 164.3 93.5 123.3 -20.6 28.2 -32.2 53 62 A H E -C 47 0B 0 -6,-2.3 -6,-2.9 251,-0.1 253,-0.2 -0.988 36.0 -98.8-163.5 157.9 -19.2 25.1 -30.6 54 63 A W E -Cd 46 306B 0 251,-2.3 253,-3.3 -2,-0.3 2,-0.4 -0.447 28.2-159.2 -72.1 155.0 -20.1 22.0 -28.5 55 64 A I E -Cd 45 307B 0 -10,-2.5 -10,-2.4 251,-0.2 2,-0.6 -0.965 8.8-149.5-134.3 124.1 -19.3 21.9 -24.8 56 65 A A E -C 44 0B 0 251,-2.3 -12,-0.2 -2,-0.4 256,-0.1 -0.840 14.9-172.9 -87.1 130.4 -19.1 18.6 -22.8 57 66 A T + 0 0 0 -14,-2.8 2,-0.3 -2,-0.6 -13,-0.1 0.528 54.9 65.2-104.8 -8.7 -20.3 19.4 -19.3 58 67 A R S > S- 0 0 10 -15,-0.7 4,-2.3 1,-0.1 3,-0.5 -0.913 78.1-122.3-124.1 147.8 -19.5 16.2 -17.4 59 68 A G H > S+ 0 0 0 254,-0.3 4,-2.8 -2,-0.3 5,-0.3 0.832 108.9 59.6 -54.6 -40.3 -16.3 14.4 -16.4 60 69 A Q H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.934 112.9 37.1 -55.5 -49.3 -17.3 11.2 -18.1 61 70 A L H > S+ 0 0 1 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.845 115.0 54.2 -73.3 -37.5 -17.7 12.9 -21.6 62 71 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.958 113.0 43.5 -61.6 -47.4 -14.7 15.2 -21.1 63 72 A R H X S+ 0 0 54 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.937 114.0 50.5 -62.1 -49.5 -12.4 12.2 -20.3 64 73 A E H X S+ 0 0 66 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.896 109.9 49.0 -59.8 -41.4 -13.8 10.1 -23.1 65 74 A A H < S+ 0 0 0 -4,-2.5 7,-0.3 1,-0.2 -1,-0.2 0.906 110.8 50.4 -68.0 -39.1 -13.4 12.8 -25.7 66 75 A Y H < S+ 0 0 5 -4,-2.0 276,-0.5 1,-0.2 -1,-0.2 0.826 112.2 49.1 -66.9 -28.4 -9.7 13.4 -24.6 67 76 A E H < S+ 0 0 113 -4,-1.9 2,-1.6 1,-0.2 3,-0.2 0.823 99.8 68.4 -72.4 -36.8 -9.2 9.6 -24.9 68 77 A D >X + 0 0 38 -4,-2.0 4,-2.5 1,-0.2 3,-0.9 -0.502 55.8 158.0 -90.4 72.3 -10.7 9.4 -28.3 69 78 A Y T 34 + 0 0 95 -2,-1.6 -1,-0.2 1,-0.2 5,-0.1 0.736 66.5 68.7 -68.9 -21.5 -8.0 11.3 -30.3 70 79 A R T 34 S+ 0 0 177 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.858 115.7 25.0 -66.3 -33.4 -9.1 9.6 -33.5 71 80 A H T <4 S+ 0 0 46 -3,-0.9 219,-2.1 1,-0.2 2,-0.8 0.780 123.6 52.3 -95.9 -34.8 -12.3 11.6 -33.4 72 81 A F E < S-E 289 0B 1 -4,-2.5 2,-0.2 -7,-0.3 -1,-0.2 -0.843 79.3-165.3-112.3 94.5 -11.3 14.6 -31.3 73 82 A S E > -E 288 0B 30 215,-2.8 215,-2.0 -2,-0.8 3,-0.6 -0.561 27.0-145.1 -88.8 144.8 -8.2 16.1 -32.9 74 83 A S T 3 S+ 0 0 7 -2,-0.2 -1,-0.1 1,-0.2 17,-0.1 0.391 75.5 105.8 -80.0 -0.3 -5.8 18.7 -31.4 75 84 A E T 3 S+ 0 0 140 1,-0.3 -1,-0.2 213,-0.2 15,-0.1 0.882 97.1 24.0 -47.7 -43.0 -5.3 20.3 -34.9 76 85 A C S < S+ 0 0 25 -3,-0.6 -1,-0.3 1,-0.1 5,-0.0 -0.796 78.6 167.1-120.6 88.0 -7.5 23.1 -33.6 77 86 A P + 0 0 8 0, 0.0 209,-2.9 0, 0.0 2,-0.4 0.425 53.2 61.7 -86.0 0.1 -7.1 23.0 -29.8 78 87 A F S S- 0 0 51 207,-0.2 207,-0.1 2,-0.1 229,-0.0 -0.966 80.7-104.5-130.2 142.7 -8.7 26.4 -28.9 79 88 A I S S+ 0 0 2 -2,-0.4 2,-0.1 2,-0.1 -28,-0.1 -0.928 98.4 48.6 -95.9 131.6 -12.0 28.1 -29.2 80 89 A P 0 0 71 0, 0.0 -29,-0.1 0, 0.0 -2,-0.1 0.531 360.0 360.0 -87.3 164.7 -12.3 30.2 -31.2 81 90 A R 0 0 181 -31,-0.2 -3,-0.1 -2,-0.1 -2,-0.1 0.830 360.0 360.0 -49.8 360.0 -10.9 28.7 -34.5 82 ! 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 83 95 A A 0 0 84 0, 0.0 2,-0.7 0, 0.0 102,-0.0 0.000 360.0 360.0 360.0 11.5 -0.0 31.7 -35.8 84 96 A Y + 0 0 70 1,-0.1 98,-0.0 2,-0.0 97,-0.0 -0.661 360.0 149.9 -82.0 114.9 0.0 29.2 -32.9 85 97 A D + 0 0 33 -2,-0.7 -1,-0.1 2,-0.1 143,-0.1 0.108 12.3 144.8-136.1 18.1 2.6 26.5 -33.6 86 98 A F > - 0 0 4 145,-0.1 4,-0.8 2,-0.1 143,-0.2 -0.292 52.0 -89.4 -61.8 151.6 4.1 25.2 -30.3 87 99 A I T 4 S- 0 0 5 141,-1.1 145,-0.2 1,-0.3 146,-0.2 -0.936 94.8 -0.6-118.1 134.6 5.0 21.5 -30.1 88 100 A P T >4 S+ 0 0 8 0, 0.0 3,-2.1 0, 0.0 -1,-0.3 -0.860 103.0 93.2-104.7 27.9 3.4 19.1 -29.3 89 101 A T T 34 S+ 0 0 23 1,-0.3 -2,-0.2 -14,-0.0 254,-0.0 0.786 96.6 37.0 -45.6 -41.3 0.1 21.0 -28.5 90 102 A S T 3< 0 0 41 -4,-0.8 -1,-0.3 -15,-0.1 -3,-0.1 0.277 360.0 360.0-104.2 10.5 -1.4 20.5 -32.0 91 103 A M < 0 0 72 -3,-2.1 -17,-0.0 -17,-0.1 -4,-0.0 -0.721 360.0 360.0 -95.5 360.0 -0.2 17.0 -32.8 92 ! 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 93 105 A P > 0 0 72 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -41.1 0.8 9.9 -32.7 94 106 A P H > + 0 0 84 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.880 360.0 43.2 -58.0 -36.6 4.2 8.3 -33.3 95 107 A E H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 3,-0.4 0.952 112.2 51.1 -72.5 -50.4 5.5 11.9 -33.6 96 108 A Q H > S+ 0 0 7 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.905 110.0 51.6 -51.7 -45.9 3.6 13.2 -30.6 97 109 A R H X S+ 0 0 153 -4,-2.7 4,-1.7 1,-0.2 -1,-0.3 0.854 109.6 49.3 -61.9 -35.9 4.9 10.4 -28.5 98 110 A Q H X S+ 0 0 76 -4,-1.2 4,-1.8 -3,-0.4 -2,-0.2 0.915 112.9 46.0 -69.8 -44.8 8.5 11.1 -29.6 99 111 A F H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.902 113.0 50.9 -64.5 -40.4 8.3 14.8 -28.8 100 112 A R H X S+ 0 0 44 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.869 108.1 51.9 -63.1 -38.7 6.6 14.1 -25.4 101 113 A A H X S+ 0 0 52 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.905 111.8 46.9 -64.6 -39.8 9.3 11.6 -24.5 102 114 A L H >X S+ 0 0 6 -4,-1.8 3,-0.7 2,-0.2 4,-0.7 0.940 112.7 48.4 -68.3 -47.9 11.9 14.2 -25.2 103 115 A A H >X S+ 0 0 2 -4,-2.8 4,-1.5 1,-0.2 3,-1.2 0.884 106.9 58.5 -58.3 -38.0 10.0 16.9 -23.2 104 116 A N H 3X S+ 0 0 67 -4,-2.5 4,-1.6 1,-0.3 -1,-0.2 0.782 96.5 61.9 -61.9 -29.5 9.7 14.3 -20.4 105 117 A Q H << S+ 0 0 123 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.766 111.9 38.3 -64.5 -25.8 13.5 14.1 -20.2 106 118 A V H << S+ 0 0 6 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.2 0.695 131.4 21.8-104.3 -20.2 13.6 17.8 -19.3 107 119 A V H < S+ 0 0 7 -4,-1.5 243,-0.4 100,-0.1 242,-0.2 0.323 93.1 120.3-126.8 6.3 10.6 18.3 -17.0 108 120 A G S >X S- 0 0 6 -4,-1.6 4,-2.2 -5,-0.3 3,-1.1 -0.054 81.5 -84.7 -66.3 171.2 9.9 14.8 -15.7 109 121 A M H 3> S+ 0 0 77 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.816 124.4 55.6 -47.6 -44.4 9.9 13.7 -12.1 110 122 A P H 3> S+ 0 0 83 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.875 111.0 45.6 -62.8 -33.6 13.7 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-61.6 -51.7 13.8 37.7 -17.5 163 175 A P H > S+ 0 0 97 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.897 115.5 45.0 -65.8 -30.8 12.1 41.0 -18.1 164 176 A H H > S+ 0 0 106 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.919 116.4 44.8 -71.9 -43.3 12.4 40.7 -21.9 165 177 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.929 113.7 50.8 -63.7 -44.2 11.3 37.1 -22.0 166 178 A K H X S+ 0 0 30 -4,-3.2 4,-2.6 -5,-0.2 -1,-0.2 0.855 107.3 55.0 -61.5 -36.5 8.5 37.8 -19.6 167 179 A Y H X S+ 0 0 76 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.936 108.3 47.5 -61.9 -44.7 7.4 40.7 -21.8 168 180 A L H X S+ 0 0 1 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.918 113.9 46.1 -63.9 -45.1 7.2 38.4 -24.9 169 181 A T H X S+ 0 0 8 -4,-2.4 4,-0.8 1,-0.2 3,-0.4 0.896 110.3 54.6 -67.0 -39.4 5.2 35.8 -23.0 170 182 A D H >X S+ 0 0 34 -4,-2.6 4,-3.0 1,-0.2 3,-0.6 0.873 106.0 53.6 -55.1 -38.8 2.9 38.5 -21.6 171 183 A Q H 3< S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.788 101.5 58.8 -70.2 -26.7 2.3 39.7 -25.2 172 184 A M H 3< S+ 0 0 22 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.737 125.1 17.2 -72.1 -25.6 1.1 36.2 -26.3 173 185 A T H << S+ 0 0 76 -4,-0.8 -2,-0.2 -3,-0.6 -3,-0.1 0.648 139.3 26.2-118.2 -25.4 -1.7 36.1 -23.7 174 186 A R S < S- 0 0 99 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.1 -0.469 78.8-166.9-141.6 56.7 -2.3 39.7 -22.5 175 187 A P - 0 0 81 0, 0.0 -4,-0.1 0, 0.0 5,-0.1 -0.215 17.9-164.5 -60.5 134.9 -1.1 42.0 -25.4 176 188 A D - 0 0 93 3,-0.1 -5,-0.1 0, 0.0 -6,-0.0 0.526 55.9-101.6 -89.3 -7.4 -0.7 45.7 -24.6 177 189 A G S S+ 0 0 65 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.244 99.6 105.8 107.0 -9.8 -0.7 46.3 -28.4 178 190 A S S S+ 0 0 83 1,-0.2 2,-0.4 2,-0.0 -7,-0.0 0.814 88.9 26.2 -69.3 -28.9 3.0 46.7 -29.0 179 191 A M S S- 0 0 38 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -0.997 73.8-130.6-138.5 136.2 3.2 43.3 -30.6 180 192 A T > - 0 0 77 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.362 39.3-105.8 -68.1 161.9 0.9 40.9 -32.4 181 193 A F H > S+ 0 0 62 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.925 124.6 51.0 -52.5 -47.6 0.8 37.3 -31.2 182 194 A A H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.880 111.0 47.7 -62.3 -38.2 2.8 36.4 -34.3 183 195 A E H > S+ 0 0 108 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.864 112.2 48.9 -69.4 -38.3 5.4 39.1 -33.6 184 196 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.933 112.2 49.0 -66.8 -46.2 5.7 38.1 -30.0 185 197 A K H X S+ 0 0 16 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.903 112.1 47.6 -58.0 -45.6 6.1 34.4 -30.9 186 198 A E H X S+ 0 0 79 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.856 109.6 52.8 -69.3 -34.4 8.8 35.2 -33.6 187 199 A A H X S+ 0 0 18 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.869 108.5 51.3 -65.9 -36.8 10.7 37.4 -31.1 188 200 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.920 111.8 46.8 -63.0 -42.6 10.6 34.5 -28.7 189 201 A Y H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.905 106.5 57.5 -66.6 -40.3 12.0 32.3 -31.5 190 202 A D H < S+ 0 0 110 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.855 111.8 44.6 -53.0 -40.2 14.6 35.0 -32.3 191 203 A Y H X S+ 0 0 36 -4,-1.7 4,-0.8 1,-0.1 -2,-0.2 0.932 117.9 41.0 -70.4 -47.2 15.8 34.6 -28.7 192 204 A L H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.833 100.4 69.4 -73.7 -36.8 15.8 30.8 -28.5 193 205 A I H X S+ 0 0 49 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.902 100.4 45.4 -57.3 -48.7 17.2 29.9 -31.9 194 206 A P H > S+ 0 0 76 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.869 115.4 48.6 -63.3 -36.2 20.8 31.1 -31.2 195 207 A I H X S+ 0 0 31 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.912 110.3 50.3 -68.7 -44.0 20.9 29.5 -27.8 196 208 A I H X S+ 0 0 0 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.939 112.9 47.8 -56.4 -47.3 19.6 26.2 -29.2 197 209 A E H X S+ 0 0 74 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.898 111.7 48.4 -64.3 -43.0 22.3 26.2 -31.9 198 210 A Q H X S+ 0 0 114 -4,-2.2 4,-2.3 1,-0.2 3,-0.3 0.888 113.8 47.5 -63.5 -38.7 25.1 27.1 -29.4 199 211 A R H < S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.666 101.6 63.9 -82.8 -15.2 23.9 24.3 -27.1 200 212 A R H < S+ 0 0 53 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.884 115.4 32.1 -62.5 -41.5 23.7 21.8 -29.9 201 213 A Q H < S+ 0 0 157 -4,-1.1 -2,-0.2 -3,-0.3 -3,-0.1 0.801 136.1 25.3 -87.7 -35.6 27.5 22.2 -30.3 202 214 A K S < S- 0 0 155 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.681 87.1-169.9-133.2 76.5 28.4 22.9 -26.7 203 215 A P - 0 0 74 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.344 13.5-171.7 -77.1 148.0 25.7 21.3 -24.5 204 216 A G - 0 0 38 2,-0.1 -48,-0.0 -2,-0.1 0, 0.0 -0.239 44.6 -97.4-101.4-155.8 25.0 21.5 -20.7 205 217 A T S S+ 0 0 140 -2,-0.1 -49,-0.1 4,-0.1 2,-0.0 0.204 85.6 115.3-110.5 9.7 22.5 19.4 -18.8 206 218 A D S > S- 0 0 27 -51,-0.1 4,-2.2 1,-0.1 -51,-0.2 -0.274 83.5 -99.5 -74.8 167.4 19.8 22.2 -18.9 207 219 A A H > S+ 0 0 8 -53,-2.4 4,-2.7 1,-0.2 5,-0.2 0.844 120.5 51.4 -60.5 -39.3 16.5 21.8 -20.8 208 220 A I H > S+ 0 0 1 -53,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.941 110.2 49.2 -67.9 -44.4 17.6 23.6 -23.9 209 221 A S H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.926 113.4 47.3 -55.6 -46.2 20.8 21.6 -24.3 210 222 A I H < S+ 0 0 56 -4,-2.2 3,-0.3 1,-0.2 4,-0.2 0.944 114.9 44.7 -66.7 -47.0 18.8 18.3 -23.9 211 223 A V H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.937 111.5 53.3 -57.4 -47.1 16.1 19.3 -26.3 212 224 A A H 3< S+ 0 0 1 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.755 112.0 45.5 -64.8 -25.2 18.6 20.7 -28.9 213 225 A N T 3< S+ 0 0 78 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.308 91.7 117.3 -97.7 9.3 20.5 17.4 -28.8 214 226 A G < - 0 0 10 -3,-1.8 7,-2.1 -4,-0.2 2,-0.4 -0.147 57.9-128.8 -74.3 168.0 17.3 15.2 -29.0 215 227 A Q E -I 220 0D 126 5,-0.2 2,-0.4 -117,-0.1 -113,-0.1 -0.954 20.0-177.3-120.3 139.6 16.4 12.8 -31.8 216 228 A V E > S-I 219 0D 1 3,-2.9 3,-1.9 -2,-0.4 -121,-0.1 -0.999 74.4 -3.8-132.7 134.2 13.2 12.5 -33.9 217 229 A N T 3 S- 0 0 88 -2,-0.4 -1,-0.1 1,-0.3 -122,-0.0 0.880 129.0 -58.3 53.2 44.0 12.5 9.9 -36.6 218 230 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.504 124.3 88.7 65.7 6.2 16.1 8.5 -36.2 219 231 A R E < S-I 216 0D 76 -3,-1.9 -3,-2.9 1,-0.0 -1,-0.2 -0.792 88.6 -75.1-128.9 168.3 17.5 11.9 -37.1 220 232 A P E -I 215 0D 79 0, 0.0 -5,-0.2 0, 0.0 -7,-0.1 -0.389 53.2-103.1 -65.9 141.2 18.5 15.2 -35.2 221 233 A I - 0 0 1 -7,-2.1 2,-0.1 -10,-0.2 -4,-0.0 -0.338 42.7-120.6 -55.2 137.6 15.7 17.4 -34.0 222 234 A T > - 0 0 59 1,-0.1 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