==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JUN-13 4L49 . COMPND 2 MOLECULE: CAMPHOR 5-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR D.BATABYAL,H.LI,T.L.POULOS . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 65.9 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 . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.8 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 1 1 3 0 0 2 1 1 2 0 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 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 10 A N 0 0 192 0, 0.0 2,-0.7 0, 0.0 50,-0.4 0.000 360.0 360.0 360.0 104.9 -4.4 0.8 -12.9 2 11 A L - 0 0 76 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.802 360.0-138.4 -99.6 113.4 -2.0 3.1 -11.2 3 12 A A - 0 0 24 45,-2.8 49,-0.0 -2,-0.7 46,-0.0 -0.452 41.3 -93.9 -64.9 135.9 -0.9 2.3 -7.6 4 13 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.229 49.0 -92.6 -61.9 144.6 -0.8 5.5 -5.6 5 14 A L - 0 0 61 -3,-0.1 6,-0.1 1,-0.1 43,-0.0 -0.297 35.7-124.9 -62.7 126.2 2.6 7.3 -5.4 6 15 A P > - 0 0 30 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.420 26.8-114.2 -66.3 153.7 4.8 6.4 -2.4 7 16 A P T 3 S+ 0 0 137 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.817 112.8 55.6 -63.9 -35.2 5.8 9.5 -0.4 8 17 A H T 3 S+ 0 0 48 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.483 87.7 94.9 -77.8 -1.7 9.5 9.2 -1.2 9 18 A V S < S- 0 0 6 -3,-1.5 5,-0.1 292,-0.1 294,-0.0 -0.812 72.7-138.4 -98.0 112.2 8.8 9.2 -5.0 10 19 A P > - 0 0 50 0, 0.0 3,-1.3 0, 0.0 36,-0.2 -0.358 14.6-127.2 -64.9 144.9 9.1 12.7 -6.5 11 20 A E G > S+ 0 0 165 1,-0.3 3,-2.0 2,-0.2 35,-0.1 0.845 104.8 63.5 -63.5 -37.4 6.4 13.5 -9.1 12 21 A H G 3 S+ 0 0 144 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.564 98.3 58.1 -67.7 -7.2 8.8 14.5 -11.9 13 22 A L G < S+ 0 0 17 -3,-1.3 33,-2.8 28,-0.1 2,-0.4 0.390 79.1 115.1 -99.8 1.8 10.2 10.9 -11.8 14 23 A V B < +a 46 0A 33 -3,-2.0 2,-0.3 31,-0.2 33,-0.2 -0.584 29.1 160.2 -75.2 126.1 6.8 9.3 -12.6 15 24 A F - 0 0 51 31,-2.6 2,-2.4 -2,-0.4 30,-0.1 -0.819 32.5-144.5-143.6 106.1 6.7 7.6 -16.0 16 25 A D + 0 0 55 -2,-0.3 2,-0.3 31,-0.2 31,-0.1 -0.334 32.4 166.1 -80.4 66.6 3.8 5.1 -16.1 17 26 A F - 0 0 10 -2,-2.4 2,-0.7 32,-0.1 32,-0.3 -0.601 26.7-149.9 -81.9 134.9 5.3 2.3 -18.2 18 27 A D > - 0 0 46 -2,-0.3 3,-1.5 3,-0.1 -2,-0.0 -0.890 5.0-165.8-108.1 104.4 3.5 -1.0 -18.3 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.693 88.8 51.1 -63.1 -18.5 6.0 -3.8 -18.9 20 29 A Y T 3 S+ 0 0 35 1,-0.2 364,-0.4 -3,-0.1 -1,-0.3 0.539 130.1 12.5 -97.2 -6.6 3.2 -6.3 -19.7 21 30 A N S < S- 0 0 105 -3,-1.5 -1,-0.2 362,-0.1 -2,-0.2 -0.319 78.4-167.1-165.0 68.7 1.5 -4.1 -22.3 22 31 A P > - 0 0 3 0, 0.0 3,-1.4 0, 0.0 11,-0.1 -0.333 27.5-120.1 -71.1 149.8 3.6 -1.1 -23.4 23 32 A S T 3 S+ 0 0 124 1,-0.3 3,-0.4 9,-0.1 10,-0.1 0.818 107.0 45.3 -60.5 -39.9 1.9 1.6 -25.4 24 33 A N T > S+ 0 0 88 8,-0.2 3,-2.2 1,-0.2 -1,-0.3 0.100 71.1 126.8 -95.2 25.0 3.9 1.6 -28.6 25 34 A L G X + 0 0 31 -3,-1.4 3,-1.8 1,-0.3 357,-0.4 0.743 62.2 69.7 -52.4 -31.0 4.0 -2.3 -28.9 26 35 A S G 3 S+ 0 0 121 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.775 93.0 58.8 -57.9 -29.9 2.6 -2.0 -32.5 27 36 A A G < S- 0 0 51 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.554 132.1 -74.5 -77.1 -10.3 6.0 -0.6 -33.5 28 37 A G <> - 0 0 8 -3,-1.8 4,-2.3 -4,-0.2 -1,-0.3 -0.141 44.1 -98.7 116.1 141.8 7.8 -3.7 -32.3 29 38 A V H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.880 123.0 50.0 -67.3 -36.4 8.5 -4.6 -28.6 30 39 A Q H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.897 111.5 50.6 -63.6 -38.4 12.1 -3.3 -28.5 31 40 A E H 4 S+ 0 0 58 2,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.921 109.9 51.6 -61.1 -43.9 10.8 -0.0 -30.0 32 41 A A H >< S+ 0 0 1 -4,-2.3 3,-1.2 1,-0.2 4,-0.2 0.901 111.1 44.4 -63.0 -47.8 8.1 0.1 -27.4 33 42 A W H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.825 101.8 71.4 -65.6 -28.7 10.5 -0.4 -24.5 34 43 A A G >< S+ 0 0 16 -4,-1.7 3,-1.2 1,-0.3 -1,-0.2 0.554 74.8 80.5 -69.6 -5.8 12.8 2.2 -26.1 35 44 A V G X S+ 0 0 30 -3,-1.2 3,-1.6 -4,-0.3 -1,-0.3 0.823 82.2 66.9 -64.9 -25.7 10.4 5.0 -25.2 36 45 A L G < S+ 0 0 0 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.679 99.8 50.6 -66.2 -16.2 12.0 4.8 -21.8 37 46 A Q G < S+ 0 0 8 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.329 84.6 113.5-106.4 5.2 15.2 6.1 -23.5 38 47 A E S X S- 0 0 100 -3,-1.6 3,-1.6 -4,-0.1 -3,-0.0 -0.277 85.4 -99.5 -69.7 167.1 13.6 9.1 -25.3 39 48 A S T 3 S+ 0 0 129 1,-0.3 -1,-0.1 -2,-0.0 -3,-0.0 0.656 118.2 60.5 -67.5 -18.6 14.6 12.6 -24.2 40 49 A N T 3 S+ 0 0 113 -5,-0.2 -1,-0.3 2,-0.1 -4,-0.1 0.594 90.5 80.1 -85.0 -12.7 11.5 13.1 -22.0 41 50 A V S < S- 0 0 8 -3,-1.6 -28,-0.1 -6,-0.2 -26,-0.1 -0.834 77.0-130.2-103.0 128.1 12.2 10.1 -19.7 42 51 A P - 0 0 45 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.223 28.6-106.6 -67.1 165.9 14.7 10.4 -16.8 43 52 A D S S+ 0 0 58 1,-0.2 14,-2.7 13,-0.1 15,-0.5 0.725 110.5 30.8 -66.6 -26.5 17.4 7.7 -16.3 44 53 A L E S+ B 0 56A 7 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.956 81.9 172.5-138.2 114.7 15.7 6.2 -13.3 45 54 A V E - B 0 55A 0 10,-2.7 10,-2.5 -2,-0.4 2,-0.5 -0.828 28.5-129.9-126.6 161.7 11.9 6.4 -13.1 46 55 A W E -aB 14 54A 11 -33,-2.8 -31,-2.6 -2,-0.3 2,-0.4 -0.943 18.9-164.4-108.7 127.6 8.9 5.2 -11.1 47 56 A T E - B 0 53A 0 6,-2.8 6,-2.2 -2,-0.5 -31,-0.2 -0.915 15.0-155.7-108.7 141.3 5.9 3.6 -12.8 48 57 A R > + 0 0 76 -2,-0.4 -45,-2.8 4,-0.2 3,-0.7 0.501 65.8 105.0 -89.0 -5.3 2.6 3.2 -11.0 49 58 A C G > S+ 0 0 14 -32,-0.3 3,-1.9 1,-0.2 4,-0.1 -0.366 78.3 18.3 -71.4 154.4 1.7 0.3 -13.2 50 59 A N G 3 S- 0 0 46 -49,-0.4 31,-0.3 1,-0.3 -1,-0.2 0.800 141.3 -46.6 56.8 34.6 1.8 -3.3 -12.0 51 60 A G G < S- 0 0 60 -3,-0.7 -1,-0.3 -50,-0.4 -2,-0.2 0.134 104.0 -69.9 99.4 -17.8 1.8 -2.3 -8.4 52 61 A G < + 0 0 5 -3,-1.9 256,-0.3 1,-0.1 2,-0.3 0.502 66.7 157.3 101.5 117.1 4.4 0.4 -8.5 53 62 A H E -B 47 0A 0 -6,-2.2 -6,-2.8 -4,-0.1 256,-0.2 -0.989 37.6 -98.9-161.8 160.1 8.2 -0.0 -9.1 54 63 A W E -Bc 46 309A 0 254,-3.0 256,-3.3 -2,-0.3 2,-0.4 -0.473 26.8-159.9 -78.5 156.7 11.3 1.7 -10.3 55 64 A I E -Bc 45 310A 0 -10,-2.5 -10,-2.7 254,-0.2 2,-0.5 -0.980 6.2-153.3-134.8 126.8 12.8 1.3 -13.8 56 65 A A E -B 44 0A 0 254,-2.1 -12,-0.2 -2,-0.4 259,-0.1 -0.853 10.1-173.0 -94.0 135.9 16.4 2.0 -14.7 57 66 A T + 0 0 0 -14,-2.7 2,-0.4 -2,-0.5 -13,-0.1 0.435 53.2 78.3-111.7 -0.6 16.6 3.0 -18.4 58 67 A R S > S- 0 0 7 -15,-0.5 4,-2.5 1,-0.1 3,-0.4 -0.903 73.0-130.2-121.0 142.4 20.4 3.2 -19.0 59 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.5 257,-0.3 5,-0.2 0.862 108.0 54.1 -49.4 -44.6 23.1 0.6 -19.5 60 69 A Q H > S+ 0 0 123 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.886 112.0 42.6 -63.0 -42.8 25.4 2.1 -16.9 61 70 A L H > S+ 0 0 6 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.876 113.3 52.4 -70.9 -40.4 22.7 2.0 -14.1 62 71 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.938 112.3 45.4 -60.0 -48.1 21.5 -1.5 -15.1 63 72 A R H X S+ 0 0 50 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.909 113.6 49.5 -61.0 -45.4 25.1 -2.9 -14.9 64 73 A E H X S+ 0 0 67 -4,-1.9 4,-1.5 -5,-0.2 3,-0.3 0.932 111.4 48.4 -62.5 -44.2 25.8 -1.1 -11.6 65 74 A A H < S+ 0 0 0 -4,-2.6 7,-0.2 1,-0.2 -1,-0.2 0.877 109.8 52.5 -67.1 -34.1 22.6 -2.4 -10.0 66 75 A Y H < S+ 0 0 5 -4,-2.0 279,-0.4 1,-0.2 -1,-0.2 0.791 109.6 49.2 -72.6 -26.0 23.3 -6.0 -11.1 67 76 A E H < S+ 0 0 117 -4,-1.5 2,-1.2 -3,-0.3 -1,-0.2 0.785 99.8 69.6 -78.8 -29.4 26.8 -6.0 -9.6 68 77 A D >X + 0 0 38 -4,-1.5 4,-2.7 1,-0.2 3,-1.1 -0.573 50.8 157.4 -97.2 72.3 25.6 -4.6 -6.3 69 78 A Y T 34 + 0 0 60 -2,-1.2 -1,-0.2 1,-0.3 5,-0.1 0.687 66.4 75.0 -68.3 -19.2 23.6 -7.6 -4.9 70 79 A R T 34 S+ 0 0 167 -3,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.855 115.2 18.4 -59.6 -37.3 24.2 -6.1 -1.4 71 80 A H T <4 S+ 0 0 49 -3,-1.1 222,-2.1 1,-0.2 2,-0.8 0.762 128.2 53.4-101.6 -37.2 21.6 -3.4 -2.1 72 81 A F E < S-D 292 0A 0 -4,-2.7 -1,-0.2 -7,-0.2 2,-0.2 -0.844 78.1-163.9-109.0 96.4 19.8 -5.1 -5.0 73 82 A S E -D 291 0A 4 218,-2.7 218,-2.2 -2,-0.8 3,-0.5 -0.537 23.7-148.5 -86.2 144.8 18.7 -8.6 -4.0 74 83 A S S S+ 0 0 0 -2,-0.2 -1,-0.1 216,-0.2 20,-0.1 0.439 77.7 98.7 -82.8 -6.3 17.6 -11.4 -6.3 75 84 A E S S+ 0 0 121 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.819 97.0 25.1 -54.4 -33.6 15.2 -12.7 -3.6 76 85 A C S S+ 0 0 1 -3,-0.5 -1,-0.3 1,-0.1 9,-0.2 -0.702 77.5 154.3-132.4 80.0 12.2 -11.0 -5.3 77 86 A P + 0 0 0 0, 0.0 212,-2.4 0, 0.0 2,-0.3 0.551 45.7 74.8 -94.5 -11.1 13.2 -10.6 -9.0 78 87 A F S S- 0 0 15 210,-0.2 6,-0.6 3,-0.2 7,-0.1 -0.807 75.5-111.7-106.4 145.1 9.9 -10.4 -10.8 79 88 A I S S+ 0 0 1 -2,-0.3 2,-0.2 4,-0.1 307,-0.1 -0.921 93.1 57.6-100.1 136.7 7.3 -7.6 -11.1 80 89 A P S >> S- 0 0 36 0, 0.0 4,-2.3 0, 0.0 3,-0.8 0.577 88.3-128.0 -77.4 168.5 4.5 -7.7 -9.9 81 90 A R H 3> S+ 0 0 79 -31,-0.3 4,-3.5 1,-0.3 5,-0.3 0.847 107.7 60.3 -53.1 -40.8 5.6 -8.3 -6.3 82 91 A E H 3> S+ 0 0 133 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.898 109.4 42.1 -57.2 -44.8 3.3 -11.3 -6.0 83 92 A A H <> S+ 0 0 6 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.942 115.2 50.2 -63.7 -48.2 5.2 -13.0 -8.8 84 93 A G H < S+ 0 0 0 -4,-2.3 -2,-0.2 -6,-0.6 -1,-0.2 0.840 113.0 46.6 -62.3 -35.1 8.5 -11.9 -7.3 85 94 A E H < S+ 0 0 129 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.917 114.2 45.9 -70.8 -44.1 7.6 -13.1 -3.9 86 95 A A H < S+ 0 0 23 -4,-2.2 2,-0.3 -5,-0.3 -2,-0.2 0.783 90.1 103.6 -70.1 -26.5 6.3 -16.5 -5.2 87 96 A Y < + 0 0 12 -4,-2.5 -9,-0.1 1,-0.2 98,-0.0 -0.394 34.9 153.8 -58.4 115.4 9.4 -16.8 -7.4 88 97 A D + 0 0 38 -2,-0.3 -1,-0.2 -12,-0.1 5,-0.1 0.182 16.4 146.4-131.5 18.7 11.7 -19.3 -5.6 89 98 A F > - 0 0 3 3,-0.1 4,-2.2 145,-0.1 143,-0.2 -0.194 48.6 -96.4 -60.5 147.9 13.8 -20.7 -8.5 90 99 A I T 4 S+ 0 0 0 141,-1.4 145,-0.2 1,-0.2 -1,-0.1 -0.957 95.6 4.5-113.3 132.7 17.4 -21.7 -7.8 91 100 A P T >4 S+ 0 0 11 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 -0.983 124.6 59.2 -93.6 -0.3 19.9 -20.1 -8.3 92 101 A T T 34 S+ 0 0 30 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.674 99.6 56.6 -73.5 -17.8 18.3 -16.9 -9.4 93 102 A S T 3< S+ 0 0 17 -4,-2.2 2,-0.4 -5,-0.1 -1,-0.3 0.430 100.2 80.6 -87.0 4.2 16.3 -16.2 -6.3 94 103 A M < - 0 0 7 -3,-1.8 -6,-0.0 -5,-0.1 -5,-0.0 -0.869 66.4-148.1-112.6 144.9 19.5 -16.3 -4.3 95 104 A D > - 0 0 38 -2,-0.4 4,-2.0 1,-0.1 3,-0.3 -0.651 43.5 -61.4 -93.6 157.8 22.2 -13.7 -3.7 96 105 A P T 4 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.413 113.0 38.3 -60.5 156.7 25.8 -14.6 -3.2 97 106 A P T >4 S+ 0 0 111 0, 0.0 3,-1.2 0, 0.0 4,-0.5 -0.967 127.2 39.3 -80.3 -18.1 27.4 -16.1 -1.3 98 107 A E T >> S+ 0 0 117 -3,-0.3 4,-0.7 1,-0.2 3,-0.5 0.837 111.2 61.1 -55.2 -39.0 24.6 -18.8 -1.0 99 108 A Q H 3X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 3,-0.4 0.795 88.8 75.4 -55.4 -32.4 24.0 -18.6 -4.8 100 109 A R H <> S+ 0 0 143 -3,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.835 90.8 47.6 -62.8 -45.5 27.5 -19.7 -5.7 101 110 A Q H <> S+ 0 0 43 -3,-0.5 4,-1.2 -4,-0.5 -1,-0.2 0.867 115.8 47.2 -63.1 -35.5 27.4 -23.5 -5.0 102 111 A F H X S+ 0 0 7 -4,-0.7 4,-2.5 -3,-0.4 -2,-0.2 0.880 107.2 55.0 -74.3 -39.1 24.1 -23.8 -6.9 103 112 A R H X S+ 0 0 62 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.902 105.6 54.0 -60.1 -40.2 25.3 -21.8 -9.9 104 113 A A H X S+ 0 0 51 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.880 108.8 48.0 -63.7 -38.4 28.3 -24.1 -10.3 105 114 A L H X S+ 0 0 2 -4,-1.2 4,-1.2 2,-0.2 -2,-0.2 0.934 111.4 50.6 -65.7 -44.1 26.0 -27.1 -10.4 106 115 A A H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 3,-0.5 0.890 107.7 53.1 -60.9 -39.4 23.8 -25.4 -13.0 107 116 A N H X S+ 0 0 68 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.881 104.2 58.3 -60.4 -37.5 26.9 -24.6 -15.1 108 117 A Q H < S+ 0 0 117 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.827 111.9 39.1 -62.7 -31.7 27.7 -28.3 -14.9 109 118 A V H < S+ 0 0 3 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.807 134.2 14.6 -95.7 -31.1 24.3 -29.3 -16.5 110 119 A V H < S+ 0 0 11 -4,-2.1 243,-0.4 239,-0.1 -3,-0.2 0.399 100.0 111.5-121.7 -0.7 23.7 -26.6 -19.2 111 120 A G S >X S- 0 0 0 -4,-1.9 4,-1.6 -5,-0.4 3,-0.7 0.180 86.0 -73.8 -69.9-171.6 27.2 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47.0 -60.6 -29.5 3.8 -30.9 -9.3 194 203 A Y H X S+ 0 0 42 -4,-1.4 4,-0.7 -3,-0.2 -2,-0.2 0.914 116.5 43.1 -75.5 -43.4 5.1 -32.3 -12.6 195 204 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 3,-0.3 0.848 97.2 73.9 -71.7 -40.4 8.8 -32.3 -11.5 196 205 A I H X S+ 0 0 79 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.865 99.7 41.2 -47.4 -53.2 8.4 -33.6 -7.9 197 206 A P H > S+ 0 0 69 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.851 115.9 51.2 -65.3 -34.3 7.7 -37.4 -8.8 198 207 A I H X S+ 0 0 23 -4,-0.7 4,-2.2 -3,-0.3 -2,-0.2 0.908 108.3 51.0 -70.3 -42.8 10.4 -37.4 -11.6 199 208 A I H X S+ 0 0 3 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.919 110.4 49.6 -60.8 -42.2 13.0 -35.9 -9.3 200 209 A E H >X S+ 0 0 87 -4,-1.9 4,-1.7 -5,-0.3 3,-1.0 0.936 109.9 51.3 -61.1 -47.4 12.2 -38.6 -6.7 201 210 A Q H 3X S+ 0 0 121 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.875 111.5 48.2 -53.1 -39.9 12.5 -41.3 -9.4 202 211 A R H 3< S+ 0 0 40 -4,-2.2 -1,-0.2 2,-0.2 5,-0.2 0.499 106.8 53.9 -90.5 -5.0 15.9 -40.0 -10.5 203 212 A R H << S+ 0 0 75 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.738 114.8 42.7 -86.1 -34.8 17.3 -39.8 -6.9 204 213 A Q H < S+ 0 0 126 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.929 135.9 15.1 -73.6 -52.4 16.5 -43.4 -6.4 205 214 A K S < S- 0 0 187 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.800 87.9-156.2-126.7 88.4 17.6 -44.6 -9.9 206 215 A P - 0 0 78 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.206 8.5-167.2 -59.4 149.1 19.8 -41.8 -11.4 207 216 A G - 0 0 38 -5,-0.2 -48,-0.0 2,-0.2 -5,-0.0 -0.386 36.7-101.0-114.9-157.8 20.2 -41.5 -15.1 208 217 A T S S+ 0 0 134 -2,-0.2 -49,-0.1 4,-0.1 2,-0.0 0.321 83.9 111.2-108.5 2.1 22.6 -39.5 -17.2 209 218 A D S > S- 0 0 28 -51,-0.1 4,-2.0 1,-0.1 -51,-0.2 -0.211 84.4-102.7 -75.6 168.6 20.1 -36.8 -18.0 210 219 A A H > S+ 0 0 5 -53,-2.6 4,-2.4 1,-0.2 5,-0.2 0.863 120.8 51.2 -60.0 -38.9 20.2 -33.2 -16.8 211 220 A I H > S+ 0 0 4 -53,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.919 109.0 49.9 -70.1 -41.8 17.5 -33.8 -14.2 212 221 A S H > S+ 0 0 2 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.878 112.3 50.1 -57.2 -38.7 19.3 -36.9 -12.8 213 222 A I H < S+ 0 0 58 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.919 113.3 42.9 -71.5 -45.8 22.5 -34.7 -12.6 214 223 A V H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 10,-0.2 0.962 114.4 51.9 -58.0 -52.6 20.8 -31.8 -10.7 215 224 A A H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.715 118.6 36.0 -63.1 -23.1 18.9 -34.1 -8.4 216 225 A N T 3< S+ 0 0 68 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.156 93.6 134.2-112.7 17.7 22.1 -36.0 -7.4 217 226 A G < - 0 0 4 -3,-1.9 7,-2.1 1,-0.1 2,-0.5 -0.218 52.9-128.3 -72.4 154.1 24.3 -33.0 -7.5 218 227 A Q E +H 223 0C 111 5,-0.2 2,-0.4 -117,-0.1 -1,-0.1 -0.910 28.6 173.9-100.0 129.8 26.9 -32.1 -4.9 219 228 A V E > -H 222 0C 1 3,-3.0 3,-0.9 -2,-0.5 -117,-0.1 -0.968 64.9 -17.0-134.3 117.3 26.8 -28.5 -3.5 220 229 A N T 3 S- 0 0 108 -2,-0.4 -1,-0.1 1,-0.3 -119,-0.0 0.873 124.3 -47.2 66.7 46.1 29.0 -27.4 -0.6 221 230 A G T 3 S+ 0 0 82 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.551 127.5 73.9 73.6 7.2 30.2 -30.7 0.9 222 231 A R E < S-H 219 0C 89 -3,-0.9 -3,-3.0 3,-0.0 -1,-0.2 -0.968 86.5 -95.3-146.9 158.6 26.6 -32.0 0.9 223 232 A P E -H 218 0C 78 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.482 46.0-104.4 -71.6 145.9 24.0 -33.4 -1.6 224 233 A I - 0 0 2 -7,-2.1 2,-0.2 -10,-0.2 -4,-0.0 -0.319 41.1-115.8 -61.7 150.0 21.3 -31.0 -2.9 225 234 A T > - 0 0 62 1,-0.1 4,-2.9 -3,-0.1 5,-0.2 -0.525 20.2-110.5 -87.6 165.8 17.9 -31.6 -1.3 226 235 A S H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.852 121.1 47.6 -61.9 -35.9 14.8 -32.8 -3.1 227 236 A D H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.852 111.6 49.0 -77.2 -35.1 13.3 -29.4 -2.8 228 237 A E H > S+ 0 0 20 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.902 111.4 50.4 -65.6 -43.2 16.4 -27.6 -3.9 229 238 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.917 109.2 52.6 -59.4 -45.5 16.6 -29.9 -6.9 230 239 A K H X S+ 0 0 26 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.935 109.3 48.2 -53.4 -50.1 13.0 -29.1 -7.7 231 240 A R H X S+ 0 0 48 -4,-2.1 -141,-1.4 1,-0.2 4,-0.9 0.803 113.5 46.8 -69.8 -26.3 13.6 -25.4 -7.6 232 241 A M H X S+ 0 0 0 -4,-1.8 4,-2.1 -143,-0.2 -1,-0.2 0.899 111.2 50.5 -78.9 -40.5 16.6 -25.6 -9.9 233 242 A C H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.838 105.3 58.1 -65.8 -33.9 14.9 -27.9 -12.4 234 243 A G H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.890 108.6 45.4 -61.2 -39.1 11.9 -25.6 -12.6 235 244 A L H X S+ 0 0 32 -4,-0.9 4,-2.9 -145,-0.2 5,-0.2 0.904 109.2 54.3 -71.9 -41.6 14.2 -22.8 -13.7 236 245 A L H X S+ 0 0 21 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.892 107.7 52.5 -58.2 -39.5 16.1 -24.9 -16.2 237 246 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.952 110.3 46.4 -59.6 -52.1 12.7 -25.8 -17.8 238 247 A V H X S+ 0 0 18 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.901 113.1 49.5 -59.7 -44.1 11.8 -22.1 -18.1 239 248 A G H < S+ 0 0 34 -4,-2.9 5,-0.5 1,-0.2 4,-0.4 0.907 114.5 46.3 -60.0 -40.8 15.2 -21.3 -19.6 240 249 A G H < S+ 0 0 14 -4,-2.5 -86,-0.2 -5,-0.2 -2,-0.2 0.821 121.0 35.5 -70.8 -31.5 14.8 -24.2 -22.0 241 250 A L H < S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.625 122.6 32.2-101.7 -16.6 11.2 -23.4 -23.1 242 251 A D S < S+ 0 0 0 -4,-2.0 -2,-0.1 -5,-0.2 -1,-0.1 0.028 106.6 53.8-139.4 32.7 10.9 -19.6 -23.2 243 252 A T S >> S+ 0 0 48 -4,-0.4 4,-2.2 -3,-0.1 3,-0.8 0.532 110.8 28.1-123.1 -81.2 14.1 -17.9 -24.1 244 253 A V H 3> S+ 0 0 11 -5,-0.5 4,-2.7 1,-0.2 5,-0.3 0.862 115.2 67.1 -50.1 -43.2 15.8 -19.0 -27.4 245 254 A V H 3> S+ 0 0 4 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.885 109.2 34.9 -43.8 -50.1 12.3 -19.9 -28.6 246 255 A N H <> S+ 0 0 12 -3,-0.8 4,-1.5 1,-0.2 3,-0.4 0.873 113.8 57.7 -77.2 -40.1 11.3 -16.2 -28.6 247 256 A F H X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.883 100.3 57.9 -60.1 -38.7 14.6 -14.8 -29.7 248 257 A L H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.858 104.3 52.5 -62.6 -34.6 14.7 -16.9 -32.9 249 258 A S H X S+ 0 0 3 -4,-0.7 4,-2.5 -3,-0.4 -1,-0.2 0.904 107.0 50.1 -69.8 -40.7 11.5 -15.3 -34.0 250 259 A F H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.922 114.6 46.8 -61.1 -43.3 12.7 -11.8 -33.6 251 260 A S H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.891 114.2 44.9 -63.4 -43.2 15.8 -12.7 -35.5 252 261 A M H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.849 109.6 55.5 -76.6 -33.6 14.0 -14.5 -38.4 253 262 A E H X S+ 0 0 15 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.940 110.9 46.4 -60.7 -45.7 11.3 -11.7 -38.7 254 263 A F H X S+ 0 0 33 -4,-1.8 4,-0.8 -5,-0.2 -2,-0.2 0.920 113.1 47.9 -60.1 -48.4 14.2 -9.2 -39.2 255 264 A L H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 7,-0.3 0.882 107.5 56.0 -62.2 -40.7 16.0 -11.5 -41.7 256 265 A A H 3< S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.881 112.2 43.4 -57.6 -38.9 12.8 -12.1 -43.7 257 266 A K H 3< S+ 0 0 129 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.606 113.1 54.4 -83.9 -11.1 12.3 -8.3 -44.1 258 267 A S XX + 0 0 18 -4,-0.8 4,-1.5 -3,-0.6 3,-1.0 -0.705 54.0 174.0-132.1 82.1 16.0 -7.5 -44.9 259 268 A P H 3> S+ 0 0 59 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.770 79.5 63.1 -60.2 -29.9 17.4 -9.5 -47.9 260 269 A E H 3> S+ 0 0 140 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.862 103.9 46.8 -62.9 -39.3 20.7 -7.6 -47.8 261 270 A H H <> S+ 0 0 32 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.851 112.7 51.3 -71.1 -36.3 21.5 -8.9 -44.3 262 271 A R H X S+ 0 0 8 -4,-1.5 4,-2.4 -7,-0.3 -2,-0.2 0.947 110.1 47.8 -60.2 -50.8 20.6 -12.4 -45.4 263 272 A Q H X S+ 0 0 78 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.869 107.2 57.8 -62.8 -36.6 22.9 -12.1 -48.5 264 273 A E H X S+ 0 0 44 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.945 112.0 40.2 -55.4 -48.6 25.7 -10.9 -46.2 265 274 A L H < S+ 0 0 2 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.806 115.3 51.9 -75.1 -28.8 25.4 -14.0 -44.1 266 275 A I H < S+ 0 0 53 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.939 117.4 37.7 -69.9 -46.3 25.0 -16.3 -47.1 267 276 A E H < S+ 0 0 109 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.791 128.8 34.4 -76.2 -28.5 28.0 -14.9 -48.9 268 277 A R >< + 0 0 119 -4,-2.0 3,-1.9 -5,-0.3 -1,-0.3 -0.696 61.4 168.6-128.2 79.3 30.1 -14.6 -45.7 269 278 A P G > S+ 0 0 62 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.720 74.3 71.0 -67.2 -16.7 29.2 -17.4 -43.3 270 279 A E G 3 S+ 0 0 128 1,-0.3 4,-0.3 2,-0.1 -5,-0.1 0.595 91.5 59.7 -72.5 -11.7 32.2 -16.4 -41.1 271 280 A R G <> S+ 0 0 91 -3,-1.9 4,-3.0 -7,-0.2 -1,-0.3 0.497 79.3 93.3 -90.8 -5.7 30.3 -13.3 -40.1 272 281 A I H <> S+ 0 0 7 -3,-1.3 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