==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(OXYGENASE) 18-MAY-90 6CPP . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR R.RAAG,T.L.POULOS . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 68.4 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 . 16 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 1 2 0 0 2 0 2 2 1 0 0 0 1 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 0 195 0, 0.0 2,-0.4 0, 0.0 49,-0.4 0.000 360.0 360.0 360.0 100.0 46.3 26.0 32.3 2 11 A L - 0 0 87 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.894 360.0-135.1-101.3 127.2 44.7 23.7 29.8 3 12 A A - 0 0 24 45,-2.4 49,-0.0 -2,-0.4 0, 0.0 -0.687 35.7 -91.3 -81.9 146.1 40.9 23.8 29.3 4 13 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.231 50.7-100.0 -56.8 138.3 38.9 20.5 29.2 5 14 A L - 0 0 57 1,-0.1 6,-0.0 -3,-0.1 47,-0.0 -0.477 37.2-119.7 -65.3 130.7 38.6 19.2 25.7 6 15 A P > - 0 0 30 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.445 26.2-109.3 -68.1 154.6 35.2 20.0 24.1 7 16 A P T 3 S+ 0 0 138 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.711 114.0 56.4 -55.3 -37.1 33.1 17.0 23.1 8 17 A H T 3 S+ 0 0 39 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.417 84.1 99.9 -80.6 3.1 33.5 17.6 19.4 9 18 A V S < S- 0 0 8 -3,-2.1 5,-0.1 292,-0.1 2,-0.0 -0.821 70.2-135.9 -99.8 112.4 37.3 17.5 19.4 10 19 A P > - 0 0 46 0, 0.0 3,-2.0 0, 0.0 36,-0.2 -0.390 17.8-131.9 -61.4 131.6 39.0 14.3 18.3 11 20 A E G > S+ 0 0 168 1,-0.3 3,-1.1 2,-0.2 35,-0.1 0.719 103.6 64.8 -63.2 -18.3 41.8 13.7 20.8 12 21 A H G 3 S+ 0 0 144 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.486 96.0 58.1 -80.5 -11.0 44.2 13.0 17.9 13 22 A L G < S+ 0 0 15 -3,-2.0 33,-2.9 28,-0.1 2,-0.3 0.296 80.5 113.3 -99.2 2.6 43.9 16.6 16.8 14 23 A V B < +a 46 0A 33 -3,-1.1 2,-0.3 31,-0.2 33,-0.2 -0.613 30.4 160.0 -77.7 137.5 45.0 18.0 20.1 15 24 A F - 0 0 59 31,-2.5 2,-1.8 -2,-0.3 30,-0.1 -0.786 34.6-139.3-156.8 104.5 48.3 19.9 20.1 16 25 A D + 0 0 56 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.492 34.4 165.4 -78.4 84.0 48.8 22.2 23.1 17 26 A F - 0 0 7 -2,-1.8 2,-0.7 32,-0.1 32,-0.4 -0.748 26.1-152.6 -94.8 127.7 50.4 25.3 21.6 18 27 A D > - 0 0 44 -2,-0.4 3,-1.8 3,-0.2 -2,-0.0 -0.900 1.3-162.4-105.1 103.0 50.5 28.4 23.7 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.673 92.3 49.1 -55.5 -24.4 50.5 31.4 21.2 20 29 A Y T 3 S+ 0 0 36 1,-0.2 364,-0.4 -3,-0.1 -1,-0.3 0.531 129.2 17.9 -94.1 -14.0 51.7 33.6 24.1 21 30 A N S < S- 0 0 105 -3,-1.8 -1,-0.2 362,-0.1 -3,-0.2 -0.318 77.7-175.3-160.2 68.1 54.5 31.3 25.2 22 31 A P > - 0 0 3 0, 0.0 3,-0.8 0, 0.0 11,-0.1 -0.252 35.9-102.6 -66.9 157.7 55.5 28.7 22.7 23 32 A S T 3 S+ 0 0 118 1,-0.2 2,-0.7 9,-0.2 3,-0.3 0.792 106.5 30.0 -53.7 -65.2 58.0 26.1 23.6 24 33 A N T > + 0 0 76 8,-0.2 3,-1.3 1,-0.2 -1,-0.2 -0.510 65.9 147.6-103.4 63.5 61.4 26.8 22.2 25 34 A L G X + 0 0 31 -3,-0.8 3,-2.4 -2,-0.7 357,-0.3 0.851 65.9 72.4 -59.8 -30.5 61.1 30.6 22.2 26 35 A S G 3 S+ 0 0 125 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.824 91.7 55.2 -49.0 -44.2 64.8 30.5 22.9 27 36 A A G < S- 0 0 53 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.468 128.3 -76.2 -66.7 -13.2 65.4 29.4 19.2 28 37 A G <> - 0 0 6 -3,-2.4 4,-1.7 -4,-0.2 -1,-0.3 -0.314 39.6 -95.3 121.9 151.1 63.5 32.4 17.8 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.963 122.5 44.8 -68.4 -53.0 59.8 33.3 17.5 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.882 114.8 50.9 -56.9 -43.2 59.2 32.1 13.9 31 40 A E H 4 S+ 0 0 62 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.878 108.1 53.6 -60.8 -37.3 61.2 28.9 14.8 32 41 A A H >< S+ 0 0 0 -4,-1.7 3,-0.6 1,-0.2 -8,-0.2 0.890 113.6 40.5 -64.2 -47.8 58.9 28.4 17.8 33 42 A W H >< S+ 0 0 0 -4,-2.0 3,-2.2 1,-0.2 -1,-0.2 0.797 101.8 71.1 -67.0 -39.8 55.7 28.7 15.8 34 43 A A G >< S+ 0 0 21 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.570 75.6 82.5 -58.3 -14.3 57.1 26.6 12.9 35 44 A V G X S+ 0 0 31 -3,-0.6 3,-0.5 -4,-0.4 -1,-0.3 0.579 80.2 68.3 -58.4 -23.4 56.9 23.5 15.2 36 45 A L G < S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.448 96.2 54.8 -68.2 -18.0 53.3 23.5 14.1 37 46 A Q G < S+ 0 0 7 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.2 0.294 78.7 116.8-106.7 12.3 54.5 22.5 10.6 38 47 A E S X S- 0 0 108 -3,-0.5 3,-2.6 -4,-0.1 -3,-0.0 -0.477 83.1-102.2 -71.9 152.2 56.5 19.4 11.5 39 48 A S T 3 S+ 0 0 129 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.611 117.9 63.2 -44.8 -29.9 55.4 16.1 10.1 40 49 A N T 3 S+ 0 0 113 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.516 87.6 85.7 -81.7 -4.0 53.8 15.1 13.4 41 50 A V S < S- 0 0 8 -3,-2.6 -28,-0.1 -6,-0.0 4,-0.1 -0.872 75.2-133.5-107.9 126.5 51.2 17.9 13.4 42 51 A P - 0 0 44 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.257 31.3-106.6 -65.8 160.7 47.9 17.6 11.5 43 52 A D S S+ 0 0 51 1,-0.2 14,-2.7 13,-0.1 15,-0.4 0.710 109.2 33.1 -62.2 -32.0 47.0 20.6 9.3 44 53 A L E S+ B 0 56A 5 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.989 77.8 174.2-133.1 119.7 44.3 21.7 11.8 45 54 A V E - B 0 55A 0 10,-2.0 10,-2.3 -2,-0.4 2,-0.4 -0.821 26.1-132.7-126.0 163.5 44.8 21.2 15.5 46 55 A W E -aB 14 54A 11 -33,-2.9 -31,-2.5 -2,-0.3 2,-0.4 -0.968 19.9-158.9-114.0 135.2 43.0 22.1 18.6 47 56 A T E - B 0 53A 0 6,-2.7 6,-1.7 -2,-0.4 -31,-0.2 -0.937 14.1-152.2-114.8 146.5 45.0 23.6 21.5 48 57 A R > + 0 0 81 -2,-0.4 -45,-2.4 4,-0.2 3,-0.6 0.410 68.1 97.0 -87.2 -6.8 43.8 23.6 25.1 49 58 A C G > S+ 0 0 10 -32,-0.4 3,-2.1 1,-0.2 -2,-0.1 -0.475 80.8 24.4 -81.2 167.4 45.8 26.7 26.0 50 59 A N G 3 S- 0 0 45 -49,-0.4 31,-0.3 1,-0.3 -1,-0.2 0.716 140.8 -55.3 53.9 29.0 44.2 30.2 26.1 51 60 A G G < S- 0 0 60 -3,-0.6 -1,-0.3 -50,-0.4 -2,-0.2 0.249 99.7 -64.0 90.0 -8.1 40.9 28.5 26.6 52 61 A G < + 0 0 7 -3,-2.1 256,-0.4 1,-0.1 2,-0.3 0.555 65.9 157.7 99.3 129.3 40.8 26.2 23.6 53 62 A H E -B 47 0A 0 -6,-1.7 -6,-2.7 -4,-0.1 256,-0.2 -0.961 38.9-102.6-168.9 158.3 40.8 27.2 19.9 54 63 A W E -Bc 46 309A 0 254,-2.4 256,-3.4 -2,-0.3 2,-0.4 -0.515 26.9-160.2 -82.5 160.9 41.7 25.7 16.5 55 64 A I E -Bc 45 310A 0 -10,-2.3 -10,-2.0 254,-0.2 2,-0.4 -0.938 8.8-148.2-140.8 125.8 44.9 26.6 14.7 56 65 A A E -B 44 0A 0 254,-1.8 -12,-0.2 -2,-0.4 259,-0.1 -0.781 12.6-168.4 -90.1 140.0 45.3 26.1 10.9 57 66 A T + 0 0 0 -14,-2.7 2,-0.4 -2,-0.4 -13,-0.1 0.480 54.8 70.3-106.4 -13.7 49.0 25.3 10.2 58 67 A R S >> S- 0 0 6 -15,-0.4 4,-2.2 1,-0.1 3,-0.5 -0.911 76.1-125.5-121.1 143.5 49.3 25.6 6.4 59 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.0 257,-0.3 5,-0.2 0.723 108.8 60.1 -52.1 -39.4 49.2 28.4 4.0 60 69 A Q H 3> S+ 0 0 105 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.947 111.1 38.7 -58.4 -49.9 46.5 26.7 2.0 61 70 A L H <> S+ 0 0 3 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.788 111.9 56.8 -70.3 -39.2 44.1 26.6 4.9 62 71 A I H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.921 111.6 44.4 -63.9 -43.2 45.0 30.1 6.3 63 72 A R H X S+ 0 0 50 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.847 112.7 50.0 -66.1 -45.0 44.1 31.6 2.9 64 73 A E H >X S+ 0 0 75 -4,-1.6 4,-2.1 1,-0.2 3,-0.9 0.954 111.3 49.0 -59.4 -49.6 40.9 29.6 2.5 65 74 A A H 3< S+ 0 0 1 -4,-2.4 7,-0.2 1,-0.3 -2,-0.2 0.852 112.2 50.2 -58.2 -38.4 39.7 30.6 5.9 66 75 A Y H 3< S+ 0 0 9 -4,-1.6 279,-0.5 -5,-0.2 280,-0.3 0.637 109.4 49.4 -71.8 -28.4 40.5 34.2 5.2 67 76 A E H << S+ 0 0 120 -4,-1.0 2,-1.4 -3,-0.9 -2,-0.2 0.897 101.3 70.3 -75.3 -40.3 38.7 34.3 1.9 68 77 A D >X + 0 0 41 -4,-2.1 4,-2.5 1,-0.2 3,-0.6 -0.582 49.1 157.2 -76.7 49.2 35.6 32.7 3.5 69 78 A Y T 34 + 0 0 76 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.700 67.1 74.0 -59.2 -17.3 34.1 35.5 5.8 70 79 A R T 34 S+ 0 0 170 1,-0.2 -1,-0.2 -3,-0.1 223,-0.1 0.958 115.6 18.3 -58.1 -49.5 30.7 33.7 5.6 71 80 A H T <4 S+ 0 0 46 -3,-0.6 222,-1.8 1,-0.2 2,-0.7 0.772 126.6 53.8 -89.5 -38.0 32.0 31.0 7.9 72 81 A F E < S-D 292 0A 1 -4,-2.5 2,-0.3 -7,-0.2 -1,-0.2 -0.903 77.9-166.5-106.6 103.7 35.0 32.6 9.5 73 82 A S E > -D 291 0A 3 218,-3.4 218,-2.1 -2,-0.7 3,-0.7 -0.613 27.1-144.7 -94.9 151.1 33.9 35.9 11.0 74 83 A S T 3 S+ 0 0 0 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.281 75.9 104.8 -87.9 2.1 36.1 38.8 12.2 75 84 A E T 3 S+ 0 0 123 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.758 96.4 21.2 -54.9 -31.2 33.6 39.5 14.9 76 85 A C S < S+ 0 0 3 -3,-0.7 -1,-0.3 1,-0.1 9,-0.2 -0.796 76.6 158.7-140.9 82.0 36.0 38.0 17.5 77 86 A P + 0 0 1 0, 0.0 212,-3.2 0, 0.0 2,-0.3 0.518 51.0 72.6 -91.5 -9.8 39.4 38.0 15.8 78 87 A F S S- 0 0 11 210,-0.2 6,-0.6 3,-0.2 9,-0.1 -0.863 76.8-112.4-112.1 148.7 41.6 37.7 19.0 79 88 A I S S+ 0 0 2 -2,-0.3 2,-0.2 4,-0.1 -28,-0.1 -0.910 91.9 53.2-114.2 139.5 42.3 34.8 21.3 80 89 A P S >> S- 0 0 29 0, 0.0 3,-2.0 0, 0.0 4,-1.6 0.622 89.8-125.8 -77.2 160.6 41.5 34.5 24.1 81 90 A R H 3> S+ 0 0 79 -31,-0.3 4,-3.6 1,-0.3 5,-0.2 0.830 106.2 60.4 -41.7 -50.8 37.8 35.2 23.6 82 91 A E H 3> S+ 0 0 126 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.772 110.0 45.5 -49.8 -35.1 37.5 38.0 26.2 83 92 A A H <> S+ 0 0 8 -3,-2.0 4,-0.9 2,-0.2 -1,-0.3 0.860 114.5 45.7 -74.5 -45.1 40.0 39.9 24.1 84 93 A G H < S+ 0 0 0 -4,-1.6 -2,-0.2 -6,-0.6 -3,-0.2 0.810 116.6 49.0 -65.2 -34.1 38.3 39.0 20.9 85 94 A E H < S+ 0 0 135 -4,-3.6 -2,-0.2 -5,-0.2 -3,-0.2 0.977 111.9 44.5 -67.2 -53.5 35.1 40.0 22.7 86 95 A A H < S+ 0 0 20 -4,-2.7 2,-0.5 -5,-0.2 -1,-0.2 0.607 94.6 103.9 -66.0 -17.3 36.3 43.3 24.0 87 96 A Y < + 0 0 11 -4,-0.9 -9,-0.1 1,-0.1 98,-0.0 -0.627 33.3 152.3 -74.9 122.6 37.8 43.9 20.6 88 97 A D + 0 0 40 -2,-0.5 -1,-0.1 143,-0.1 143,-0.1 0.062 17.9 145.8-144.8 34.8 35.7 46.3 18.6 89 98 A F > - 0 0 3 145,-0.1 4,-3.2 2,-0.1 143,-0.2 -0.302 47.0 -98.0 -72.5 152.7 38.1 48.0 16.2 90 99 A I T 4 S+ 0 0 0 141,-1.3 145,-0.3 1,-0.3 144,-0.1 -0.967 96.6 3.8-121.2 136.3 37.0 49.0 12.7 91 100 A P T >4 S+ 0 0 7 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 -0.969 124.2 65.3 -88.7 5.3 37.3 47.7 10.1 92 101 A T T 34 S+ 0 0 33 1,-0.3 -2,-0.2 140,-0.1 -3,-0.0 0.827 99.7 49.9 -62.6 -35.7 38.9 44.7 11.8 93 102 A S T 3< S+ 0 0 20 -4,-3.2 2,-0.3 -18,-0.1 -1,-0.3 0.441 103.0 86.1 -87.0 13.2 35.9 43.5 13.8 94 103 A M < - 0 0 17 -3,-1.4 -6,-0.0 -5,-0.2 -5,-0.0 -0.784 61.7-148.1-115.0 156.3 33.6 43.7 10.7 95 104 A D >> - 0 0 33 -2,-0.3 4,-2.5 1,-0.1 3,-0.5 -0.660 42.8 -57.5-107.8 163.0 32.7 41.5 7.8 96 105 A P T 34 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.411 112.8 30.8 -74.0 145.5 31.8 42.5 4.2 97 106 A P T 34 S+ 0 0 112 0, 0.0 4,-0.3 0, 0.0 3,-0.3 -1.000 127.8 41.5 -92.3 -6.6 29.7 44.2 3.0 98 107 A E T X> S+ 0 0 122 -3,-0.5 3,-1.5 1,-0.2 4,-0.9 0.926 110.1 60.0 -57.8 -49.9 29.7 46.5 6.1 99 108 A Q H 3X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.3 3,-0.4 0.850 91.3 71.9 -45.8 -44.9 33.5 46.4 6.4 100 109 A R H 3> S+ 0 0 163 -3,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.667 94.7 47.9 -52.2 -32.1 33.9 47.9 2.9 101 110 A Q H <> S+ 0 0 59 -3,-1.5 4,-1.1 -4,-0.3 -1,-0.2 0.830 112.7 48.1 -78.3 -43.5 32.8 51.5 3.7 102 111 A F H X S+ 0 0 9 -4,-0.9 4,-2.2 -3,-0.4 3,-0.3 0.897 111.4 52.3 -64.3 -39.3 35.0 51.8 6.8 103 112 A R H X S+ 0 0 61 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.938 102.8 56.4 -61.7 -45.9 37.9 50.5 4.8 104 113 A A H X S+ 0 0 58 -4,-1.3 4,-0.6 1,-0.2 -1,-0.2 0.843 111.0 47.3 -55.2 -34.5 37.5 53.0 2.0 105 114 A L H >X S+ 0 0 3 -4,-1.1 3,-0.8 -3,-0.3 4,-0.7 0.892 110.2 47.7 -73.4 -52.0 37.8 55.6 4.8 106 115 A A H >X S+ 0 0 3 -4,-2.2 4,-1.4 1,-0.3 3,-0.8 0.831 107.6 60.3 -58.7 -34.3 40.9 54.2 6.5 107 116 A N H 3X S+ 0 0 73 -4,-3.0 4,-2.0 1,-0.3 -1,-0.3 0.805 96.3 60.3 -58.6 -36.1 42.4 54.0 3.0 108 117 A Q H << S+ 0 0 123 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.775 110.6 41.4 -59.9 -39.5 42.0 57.7 2.7 109 118 A V H << S+ 0 0 6 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.664 131.2 18.0 -79.7 -39.3 44.3 58.2 5.6 110 119 A V H < S+ 0 0 11 -4,-1.4 243,-0.4 100,-0.1 242,-0.2 0.329 92.9 115.9-111.1 -13.5 47.0 55.6 5.1 111 120 A G S >X S- 0 0 0 -4,-2.0 4,-1.3 -5,-0.2 3,-1.3 -0.059 83.5 -76.8 -59.3-177.2 46.9 54.6 1.4 112 121 A M H 3> S+ 0 0 104 1,-0.3 4,-2.4 2,-0.2 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30 -2,-0.3 4,-3.1 254,-0.2 5,-0.3 -0.926 36.0-161.7-106.9 67.8 69.8 49.5 21.5 141 150 A F H >>S+ 0 0 0 252,-2.5 5,-3.5 -2,-0.8 4,-1.8 0.805 84.6 55.8 -34.2 -38.9 68.2 49.3 18.0 142 151 A T H 4>S+ 0 0 9 3,-0.2 5,-1.8 1,-0.2 -1,-0.2 0.971 121.5 25.7 -64.8 -56.6 64.8 48.6 19.5 143 152 A E H 45S+ 0 0 119 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.735 126.0 51.0 -74.1 -26.3 64.7 51.7 21.7 144 153 A D H <5S- 0 0 56 -4,-3.1 -3,-0.2 3,-0.1 -2,-0.2 0.608 133.9 -12.3 -85.9 -29.5 67.1 53.8 19.5 145 154 A Y T X5S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 -3,-0.2 0.502 121.7 65.0-139.1 -51.0 65.6 53.5 16.1 146 155 A A T 4 S+ 0 0 25 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.755 109.4 56.0 -52.9 -47.3 61.2 56.3 17.4 149 158 A F H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -3,-0.1 0.970 116.1 29.6 -56.9 -62.9 61.3 56.0 13.6 150 159 A P H > S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.851 122.7 53.4 -65.3 -40.5 57.9 54.5 12.8 151 160 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.841 107.3 47.6 -68.1 -42.8 56.3 56.1 15.8 152 161 A R H X S+ 0 0 88 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0 -4,-2.1 4,-1.2 1,-0.2 3,-0.6 0.870 108.6 52.9 -66.9 -36.9 49.3 49.1 22.5 173 182 A D H 3X S+ 0 0 46 -4,-2.1 4,-3.0 1,-0.3 -1,-0.2 0.873 101.0 58.5 -61.6 -47.4 51.7 46.5 23.9 174 183 A Q H 3< S+ 0 0 9 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.727 105.0 54.3 -56.6 -29.9 49.2 45.2 26.4 175 184 A M H << S+ 0 0 3 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.863 120.0 25.2 -75.1 -42.4 46.9 44.4 23.5 176 185 A T H < S+ 0 0 2 -4,-1.2 210,-2.4 1,-0.2 211,-0.4 0.801 136.1 27.1 -95.3 -36.2 49.3 42.3 21.4 177 186 A R S < S- 0 0 27 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 -0.498 86.3-152.4-131.3 67.0 51.7 40.9 24.0 178 187 A P - 0 0 55 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.080 11.2-168.5 -44.3 128.0 49.6 40.9 27.2 179 188 A D - 0 0 106 3,-0.2 4,-0.1 -5,-0.1 -5,-0.0 0.773 42.0-111.9 -90.9 -40.7 51.8 41.2 30.2 180 189 A G S S+ 0 0 73 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.174 93.4 105.9 116.6 -4.8 49.2 40.4 32.9 181 190 A S S S+ 0 0 61 1,-0.3 2,-0.3 2,-0.0 -7,-0.0 0.771 90.4 7.3 -71.7 -37.1 49.3 44.0 34.2 182 191 A M S S- 0 0 40 -8,-0.1 -2,-0.4 3,-0.0 -1,-0.3 -0.974 78.4-116.3-149.0 142.7 45.9 44.9 32.7 183 192 A T > - 0 0 89 -2,-0.3 4,-2.1 -3,-0.1 5,-0.2 -0.274 36.8-103.5 -70.0 165.0 43.2 42.9 31.0 184 193 A F H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.835 119.4 51.0 -61.7 -44.3 42.3 43.7 27.3 185 194 A A H > S+ 0 0 41 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.948 111.3 48.1 -61.6 -46.8 39.1 45.6 28.1 186 195 A E H > S+ 0 0 117 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.893 113.5 47.6 -56.4 -47.1 40.9 47.8 30.6 187 196 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.876 111.1 51.8 -64.1 -40.2 43.6 48.5 28.1 188 197 A K H X S+ 0 0 19 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.901 108.7 51.2 -63.8 -41.8 41.0 49.2 25.4 189 198 A E H X S+ 0 0 82 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.759 107.4 51.7 -66.4 -35.5 39.3 51.7 27.7 190 199 A A H X S+ 0 0 26 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.887 111.4 45.9 -69.7 -44.0 42.5 53.6 28.5 191 200 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.854 114.6 50.3 -64.0 -41.1 43.4 54.1 24.8 192 201 A Y H X S+ 0 0 3 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.846 105.9 54.8 -64.7 -36.8 39.8 55.0 24.3 193 202 A D H < S+ 0 0 116 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.757 108.9 50.9 -63.0 -34.9 40.0 57.5 27.2 194 203 A Y H X S+ 0 0 29 -4,-1.3 4,-0.7 2,-0.1 -2,-0.2 0.970 114.9 39.8 -62.2 -60.5 43.0 59.0 25.3 195 204 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 3,-0.4 0.819 96.6 76.0 -62.8 -48.1 41.2 59.4 22.0 196 205 A I H X S+ 0 0 63 -4,-2.3 4,-2.7 1,-0.3 -1,-0.2 0.844 101.1 39.5 -35.6 -65.5 37.7 60.5 23.0 197 206 A P H > S+ 0 0 60 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.841 115.3 55.0 -54.4 -41.9 38.6 64.2 23.8 198 207 A I H X S+ 0 0 22 -4,-0.7 4,-1.6 -3,-0.4 -2,-0.2 0.940 110.2 44.4 -60.8 -50.2 40.9 64.3 20.9 199 208 A I H X S+ 0 0 0 -4,-2.9 4,-1.1 2,-0.2 3,-0.3 0.909 109.4 57.3 -59.0 -46.0 38.2 63.2 18.5 200 209 A E H >X S+ 0 0 101 -4,-2.7 4,-1.3 1,-0.2 3,-0.6 0.911 109.1 46.6 -48.3 -50.4 35.7 65.6 20.1 201 210 A Q H 3X S+ 0 0 100 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.785 111.2 48.9 -62.7 -42.8 38.1 68.5 19.3 202 211 A R H 3< S+ 0 0 34 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.476 105.6 59.0 -81.6 -11.6 38.8 67.5 15.7 203 212 A R H << S+ 0 0 86 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.832 115.9 35.4 -80.0 -35.2 35.1 67.2 15.1 204 213 A Q H < S+ 0 0 133 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.883 134.7 22.3 -80.9 -50.5 34.7 70.8 16.1 205 214 A K S < S- 0 0 145 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.1 -0.753 85.1-157.4-127.8 83.9 37.9 72.2 14.7 206 215 A P - 0 0 81 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.285 10.5-174.3 -64.3 144.8 39.2 70.0 11.9 207 216 A G - 0 0 41 -5,-0.1 -48,-0.0 2,-0.1 -5,-0.0 -0.274 40.8 -98.4-115.0-157.7 42.8 69.8 10.8 208 217 A T S S+ 0 0 140 -2,-0.1 -49,-0.1 4,-0.1 5,-0.0 0.380 83.7 110.9-110.6 -2.6 44.5 68.0 8.0 209 218 A D S > S- 0 0 22 -51,-0.1 4,-2.1 -50,-0.1 -51,-0.3 -0.094 84.6-100.2 -69.3 172.2 45.8 65.1 10.1 210 219 A A H > S+ 0 0 6 -53,-2.3 4,-2.1 2,-0.2 -52,-0.2 0.837 121.0 52.9 -61.7 -40.8 44.5 61.5 10.0 211 220 A I H > S+ 0 0 3 -53,-0.4 4,-3.2 2,-0.2 5,-0.2 0.925 109.2 48.2 -65.6 -43.6 42.3 61.9 13.0 212 221 A S H > S+ 0 0 2 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