==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-JUN-07 2QBO . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR K.VON KOENIG,T.M.MAKRIS,S.D.SLIGAR,I.SCHLICHTING . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17149.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 68.1 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 . 54 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 37.8 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 1 1 0 1 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 0 203 0, 0.0 2,-0.5 0, 0.0 49,-0.4 0.000 360.0 360.0 360.0 96.7 33.5 19.9 59.9 2 11 A L - 0 0 84 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.915 360.0-134.0-110.0 125.5 30.5 21.9 61.2 3 12 A A - 0 0 28 45,-2.8 2,-0.1 -2,-0.5 49,-0.0 -0.410 39.6 -87.1 -73.4 150.5 29.7 25.3 59.6 4 13 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.361 52.3-101.9 -59.8 132.7 28.9 28.2 62.0 5 14 A L - 0 0 62 1,-0.1 6,-0.1 -3,-0.1 43,-0.1 -0.343 38.6-115.4 -59.3 121.4 25.1 28.2 62.9 6 15 A P > - 0 0 32 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.224 23.0-115.5 -57.8 148.9 23.3 30.9 60.9 7 16 A P T 3 S+ 0 0 140 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.757 112.7 53.2 -56.0 -31.4 21.7 33.7 63.0 8 17 A H T 3 S+ 0 0 47 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.478 89.2 94.6 -87.1 -0.6 18.1 32.8 62.1 9 18 A V < - 0 0 8 -3,-1.7 2,-0.1 292,-0.1 5,-0.1 -0.812 69.8-138.6 -99.6 115.2 18.5 29.2 63.1 10 19 A P > - 0 0 48 0, 0.0 3,-1.6 0, 0.0 36,-0.1 -0.397 15.7-126.6 -70.0 142.5 17.4 28.3 66.7 11 20 A E G > S+ 0 0 174 1,-0.3 3,-1.6 2,-0.2 35,-0.1 0.779 104.0 66.8 -59.4 -29.8 19.6 25.9 68.6 12 21 A H G 3 S+ 0 0 141 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.624 98.8 54.0 -69.9 -10.0 16.7 23.5 69.4 13 22 A L G < S+ 0 0 15 -3,-1.6 33,-3.5 32,-0.1 2,-0.5 0.349 80.8 117.1-103.2 4.9 16.4 22.6 65.7 14 23 A V B < +a 46 0A 38 -3,-1.6 2,-0.3 31,-0.2 33,-0.2 -0.621 27.8 161.1 -80.6 123.9 20.1 21.6 65.3 15 24 A F - 0 0 64 31,-3.1 2,-2.5 -2,-0.5 30,-0.1 -0.840 31.9-144.6-142.9 99.0 20.7 18.0 64.3 16 25 A D + 0 0 64 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.353 33.6 165.5 -69.9 69.6 24.1 17.4 62.8 17 26 A F - 0 0 8 -2,-2.5 2,-0.7 32,-0.1 32,-0.3 -0.726 27.3-150.5 -88.7 133.6 23.3 14.8 60.2 18 27 A D > - 0 0 47 -2,-0.4 3,-1.5 3,-0.2 -2,-0.0 -0.891 5.3-166.5-106.1 102.8 25.9 14.0 57.5 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.614 90.2 49.6 -63.6 -13.1 24.1 12.9 54.4 20 29 A Y T 3 S+ 0 0 46 1,-0.2 364,-0.3 366,-0.0 -1,-0.3 0.471 129.7 14.5-104.6 -3.4 27.4 11.7 53.0 21 30 A N S < S- 0 0 104 -3,-1.5 -1,-0.2 362,-0.1 -3,-0.2 -0.301 77.1-166.5-167.9 68.3 28.5 9.7 56.0 22 31 A P > - 0 0 3 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.402 25.9-127.2 -65.7 136.5 25.7 9.1 58.5 23 32 A S T 3 S+ 0 0 126 1,-0.3 3,-0.3 2,-0.1 9,-0.0 0.683 107.7 50.2 -58.2 -21.7 26.9 7.8 61.9 24 33 A N T > S+ 0 0 58 8,-0.2 3,-2.0 1,-0.2 -1,-0.3 0.154 73.1 120.6-104.3 20.4 24.6 4.8 61.9 25 34 A L G X + 0 0 35 -3,-1.9 3,-2.5 1,-0.3 357,-0.3 0.821 61.2 68.4 -52.3 -39.1 25.7 3.7 58.4 26 35 A S G 3 S+ 0 0 120 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.698 95.8 57.1 -56.5 -20.7 26.9 0.2 59.7 27 36 A A G < S- 0 0 49 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.363 131.7 -70.1 -93.1 5.7 23.3 -0.7 60.4 28 37 A G <> - 0 0 9 -3,-2.5 4,-2.1 -4,-0.1 -1,-0.3 -0.004 42.4-102.7 113.9 139.2 22.2 -0.1 56.8 29 38 A V H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.925 121.4 49.9 -61.5 -44.3 21.9 3.2 54.9 30 39 A Q H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 112.3 48.6 -59.9 -41.5 18.1 3.3 55.2 31 40 A E H 4 S+ 0 0 54 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.867 108.1 56.3 -65.1 -34.8 18.4 2.7 59.0 32 41 A A H >< S+ 0 0 1 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.866 110.4 42.5 -65.6 -38.4 21.0 5.4 59.2 33 42 A W H >< S+ 0 0 0 -4,-2.0 3,-2.4 1,-0.2 -1,-0.2 0.836 101.5 70.6 -76.0 -33.7 18.7 8.0 57.7 34 43 A A G >< S+ 0 0 22 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.600 76.9 80.7 -59.4 -12.1 15.8 6.8 59.8 35 44 A V G X S+ 0 0 26 -3,-0.6 3,-1.3 -4,-0.4 -1,-0.3 0.790 82.1 65.8 -66.3 -22.8 17.5 8.2 62.8 36 45 A L G < S+ 0 0 0 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.589 97.7 55.5 -72.7 -10.0 16.0 11.5 61.6 37 46 A Q G < S+ 0 0 19 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.090 78.5 126.8-110.5 21.7 12.6 10.0 62.4 38 47 A E S X S- 0 0 113 -3,-1.3 3,-2.1 1,-0.1 -3,-0.0 -0.395 76.6 -97.9 -76.6 159.8 13.1 9.1 66.0 39 48 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.782 120.0 47.6 -45.4 -41.6 10.7 10.4 68.7 40 49 A N T 3 S+ 0 0 127 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.328 89.4 99.7 -89.9 10.1 12.8 13.3 69.8 41 50 A V S < S- 0 0 11 -3,-2.1 4,-0.1 -6,-0.1 -28,-0.1 -0.841 70.9-126.5-102.0 127.4 13.6 14.7 66.3 42 51 A P - 0 0 45 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.181 24.3-111.7 -63.2 161.6 11.5 17.7 64.9 43 52 A D S S+ 0 0 54 1,-0.2 14,-2.7 256,-0.1 15,-0.6 0.702 108.7 32.2 -67.2 -22.5 9.8 17.4 61.5 44 53 A L E S+ B 0 56A 5 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.982 77.9 171.3-139.2 122.9 12.3 20.0 60.2 45 54 A V E - B 0 55A 1 10,-2.3 10,-2.1 -2,-0.4 2,-0.5 -0.834 27.4-128.8-129.0 167.5 15.8 20.3 61.5 46 55 A W E -aB 14 54A 10 -33,-3.5 -31,-3.1 -2,-0.3 2,-0.4 -0.974 18.2-162.2-118.3 130.6 19.0 22.1 60.6 47 56 A T E - B 0 53A 0 6,-2.7 6,-2.3 -2,-0.5 -31,-0.2 -0.896 14.4-153.7-110.0 142.3 22.4 20.3 60.2 48 57 A R > + 0 0 79 -2,-0.4 -45,-2.8 4,-0.2 3,-0.5 0.435 66.0 105.4 -91.1 -0.2 25.7 22.1 60.4 49 58 A C G > S+ 0 0 14 -32,-0.3 3,-2.3 1,-0.2 -2,-0.1 -0.358 76.7 17.7 -78.2 161.1 27.3 19.4 58.2 50 59 A N G 3 S- 0 0 42 -49,-0.4 31,-0.4 1,-0.3 -1,-0.2 0.805 142.1 -44.4 46.5 42.8 28.2 19.9 54.5 51 60 A G G < S- 0 0 61 -3,-0.5 -1,-0.3 -50,-0.3 -2,-0.2 0.237 105.2 -75.1 92.7 -14.5 28.0 23.7 54.7 52 61 A G < + 0 0 3 -3,-2.3 256,-0.3 1,-0.1 2,-0.3 0.471 64.8 158.4 95.0 126.8 24.8 23.8 56.7 53 62 A H E -B 47 0A 0 -6,-2.3 -6,-2.7 254,-0.1 256,-0.2 -0.981 37.6 -94.0-172.5 160.9 21.2 23.1 55.5 54 63 A W E -Bc 46 309A 0 254,-2.9 256,-3.0 -2,-0.3 2,-0.3 -0.384 29.0-158.6 -80.7 161.5 17.7 22.2 56.5 55 64 A I E -Bc 45 310A 0 -10,-2.1 -10,-2.3 254,-0.2 2,-0.5 -0.956 9.7-147.0-144.5 120.4 16.3 18.6 56.4 56 65 A A E -B 44 0A 0 254,-2.4 -12,-0.2 -2,-0.3 259,-0.1 -0.779 15.2-173.1 -85.0 129.8 12.6 17.7 56.2 57 66 A T + 0 0 0 -14,-2.7 2,-0.3 -2,-0.5 -13,-0.1 0.531 56.8 62.0-104.3 -9.1 12.2 14.4 58.1 58 67 A R S > S- 0 0 4 -15,-0.6 4,-2.3 1,-0.1 3,-0.3 -0.909 76.9-125.2-122.8 149.3 8.6 13.5 57.4 59 68 A G H > S+ 0 0 0 -2,-0.3 4,-3.1 256,-0.3 5,-0.3 0.844 107.4 62.4 -57.3 -37.5 6.7 12.6 54.2 60 69 A Q H > S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.944 111.1 37.0 -55.2 -50.6 4.1 15.3 54.9 61 70 A L H > S+ 0 0 2 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.883 115.8 54.1 -69.4 -39.8 6.7 18.1 54.7 62 71 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.950 111.6 44.4 -59.7 -50.5 8.7 16.4 51.9 63 72 A R H X S+ 0 0 52 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.934 114.0 50.5 -60.5 -46.6 5.6 16.1 49.7 64 73 A E H X S+ 0 0 64 -4,-2.1 4,-1.6 -5,-0.3 3,-0.2 0.910 110.6 48.8 -58.1 -45.4 4.5 19.7 50.4 65 74 A A H < S+ 0 0 1 -4,-2.7 7,-0.3 1,-0.2 -1,-0.2 0.904 109.7 51.3 -63.2 -43.1 7.9 21.1 49.6 66 75 A Y H < S+ 0 0 5 -4,-2.2 279,-0.5 1,-0.2 -1,-0.2 0.774 109.9 50.3 -67.0 -25.6 8.2 19.3 46.3 67 76 A E H < S+ 0 0 112 -4,-1.5 2,-1.3 -3,-0.2 -1,-0.2 0.817 100.7 68.0 -80.4 -31.0 4.7 20.5 45.2 68 77 A D >X + 0 0 36 -4,-1.6 4,-2.6 1,-0.2 3,-0.8 -0.565 52.8 157.6 -93.5 76.6 5.6 24.1 46.1 69 78 A Y T 34 + 0 0 54 -2,-1.3 -1,-0.2 1,-0.2 5,-0.1 0.672 65.8 72.4 -71.5 -17.0 8.2 25.0 43.5 70 79 A R T 34 S+ 0 0 174 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.871 116.2 21.4 -66.5 -33.8 7.4 28.8 43.9 71 80 A H T <4 S+ 0 0 53 -3,-0.8 222,-2.2 1,-0.2 2,-0.8 0.766 127.4 51.4-100.0 -35.3 9.2 28.7 47.3 72 81 A F E < S-D 292 0A 0 -4,-2.6 -1,-0.2 -7,-0.3 220,-0.2 -0.817 78.8-168.0-109.5 93.3 11.3 25.6 46.9 73 82 A S E > -D 291 0A 2 218,-2.4 218,-2.4 -2,-0.8 3,-0.6 -0.516 27.1-145.3 -86.1 146.2 13.3 25.9 43.6 74 83 A S T 3 S+ 0 0 1 1,-0.2 -1,-0.1 216,-0.2 4,-0.1 0.296 76.9 102.6 -87.3 7.8 15.3 23.2 41.8 75 84 A E T 3 S+ 0 0 137 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.822 96.3 24.5 -61.1 -31.4 17.8 25.8 40.7 76 85 A C S < S+ 0 0 7 -3,-0.6 -1,-0.3 1,-0.1 9,-0.2 -0.766 77.3 156.8-135.4 83.0 20.2 24.6 43.4 77 86 A P + 0 0 2 0, 0.0 212,-2.3 0, 0.0 2,-0.3 0.520 48.9 72.4 -87.5 -11.9 19.1 20.9 44.1 78 87 A F S S- 0 0 15 210,-0.2 6,-0.6 3,-0.1 7,-0.1 -0.827 75.5-112.1-113.1 151.9 22.3 19.4 45.5 79 88 A I S S+ 0 0 5 -2,-0.3 2,-0.2 4,-0.1 -28,-0.1 -0.927 90.1 56.7-112.6 138.3 24.1 19.8 48.8 80 89 A P S >> S- 0 0 29 0, 0.0 4,-2.3 0, 0.0 3,-0.9 0.548 88.7-124.3 -72.7 170.9 26.8 21.1 49.3 81 90 A R H 3> S+ 0 0 81 -31,-0.4 4,-2.9 1,-0.3 5,-0.2 0.816 108.7 58.6 -52.0 -38.5 26.1 24.5 47.9 82 91 A E H 3> S+ 0 0 132 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.883 109.8 44.8 -60.6 -40.3 29.0 24.4 45.5 83 92 A A H <> S+ 0 0 6 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.953 113.4 49.2 -68.0 -50.9 27.5 21.3 43.9 84 93 A G H < S+ 0 0 0 -4,-2.3 -2,-0.2 -6,-0.6 -1,-0.2 0.876 112.2 48.8 -56.7 -40.4 24.0 22.7 43.8 85 94 A E H < S+ 0 0 130 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.903 113.6 45.2 -68.5 -40.4 25.2 25.9 42.2 86 95 A A H < S+ 0 0 21 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.2 0.758 89.9 103.3 -73.4 -24.8 27.3 24.1 39.5 87 96 A Y < + 0 0 15 -4,-2.1 -9,-0.1 1,-0.2 98,-0.0 -0.440 33.4 149.7 -62.0 117.3 24.4 21.7 38.9 88 97 A D + 0 0 34 -2,-0.3 -1,-0.2 -12,-0.1 5,-0.1 0.154 16.2 145.5-137.1 18.8 22.7 22.8 35.6 89 98 A F > - 0 0 3 145,-0.1 4,-2.2 1,-0.1 143,-0.2 -0.201 52.3 -84.7 -59.5 150.6 21.3 19.6 34.2 90 99 A I T 4 S- 0 0 1 141,-1.9 145,-0.2 1,-0.3 -1,-0.1 -0.916 97.6 -7.6-112.3 136.6 18.1 19.8 32.2 91 100 A P T >4 S+ 0 0 6 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 -0.954 121.9 70.0-100.5 16.6 15.4 19.7 33.3 92 101 A T T 34 S+ 0 0 27 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.763 100.6 50.7 -60.3 -27.8 16.2 18.9 36.9 93 102 A S T 3< S+ 0 0 14 -4,-2.2 2,-0.3 -18,-0.1 -1,-0.3 0.352 100.7 83.6 -92.2 5.1 17.7 22.3 37.5 94 103 A M < - 0 0 13 -3,-1.8 -5,-0.0 -5,-0.1 -6,-0.0 -0.797 64.8-146.3-109.5 153.0 14.7 24.1 36.2 95 104 A D > - 0 0 30 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.710 42.0 -57.8-109.7 162.1 11.3 25.0 37.7 96 105 A P T 4 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.439 111.9 32.7 -67.8 156.4 8.0 25.2 36.0 97 106 A P T >> S+ 0 0 104 0, 0.0 3,-0.7 0, 0.0 4,-0.6 -0.963 127.5 38.4 -85.5 -20.5 6.9 26.7 33.7 98 107 A E H 3> S+ 0 0 99 1,-0.2 4,-0.7 -3,-0.2 3,-0.4 0.835 112.3 61.4 -56.1 -34.1 10.2 26.7 31.8 99 108 A Q H >X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 3,-0.6 0.872 90.5 68.5 -58.3 -43.8 11.0 23.1 32.9 100 109 A R H <> S+ 0 0 129 -3,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.838 92.0 55.6 -48.2 -48.5 7.9 21.5 31.3 101 110 A Q H 3X S+ 0 0 41 -4,-0.6 4,-1.2 -3,-0.4 119,-0.3 0.904 112.8 43.5 -56.2 -41.2 8.9 22.0 27.7 102 111 A F H < S+ 0 0 6 -4,-1.2 3,-0.7 1,-0.2 4,-0.5 0.879 111.6 52.9 -65.5 -40.4 11.3 16.0 25.1 106 115 A A H >X S+ 0 0 9 -4,-2.3 3,-2.0 1,-0.2 4,-1.0 0.926 102.7 58.2 -61.4 -42.7 13.1 14.0 27.7 107 116 A N H 3X S+ 0 0 67 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.756 96.2 66.3 -59.2 -23.1 10.1 11.8 28.1 108 117 A Q H << S+ 0 0 118 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.729 107.1 38.0 -71.4 -22.8 10.5 11.0 24.4 109 118 A V H <4 S+ 0 0 3 -3,-2.0 -1,-0.2 -4,-0.5 -2,-0.2 0.556 133.6 21.3-105.3 -10.0 13.8 9.2 25.0 110 119 A V H < S+ 0 0 19 -4,-1.0 243,-0.3 -3,-0.1 -2,-0.2 0.389 94.5 116.1-134.4 -2.7 13.0 7.4 28.3 111 120 A G S >X S- 0 0 0 -4,-2.1 3,-1.4 -5,-0.3 4,-1.1 0.033 84.9 -86.3 -63.5 176.1 9.2 7.3 28.4 112 121 A M H 3> S+ 0 0 75 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.840 124.6 64.0 -53.4 -39.9 7.0 4.2 28.4 113 122 A P H 3> S+ 0 0 98 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.845 103.6 49.7 -56.0 -31.0 7.0 4.0 24.5 114 123 A V H <> S+ 0 0 9 -3,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.805 106.5 54.8 -77.1 -31.1 10.8 3.5 24.7 115 124 A V H X S+ 0 0 2 -4,-1.1 4,-1.5 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4,-2.9 2,-0.2 5,-0.3 0.902 110.1 52.1 -65.2 -42.1 20.1 -9.5 28.5 126 135 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.962 112.8 44.4 -59.0 -51.9 18.8 -10.4 32.0 127 136 A C H X S+ 0 0 23 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.886 115.1 49.7 -59.8 -39.8 18.4 -14.1 31.1 128 137 A S H X S+ 0 0 75 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.918 112.1 45.6 -66.7 -46.1 21.8 -14.1 29.4 129 138 A L H X S+ 0 0 20 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.918 117.6 44.1 -65.0 -42.8 23.7 -12.5 32.3 130 139 A I H >X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 3,-0.6 0.936 109.8 54.0 -69.1 -45.9 22.0 -14.7 34.9 131 140 A E H 3< S+ 0 0 67 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.862 107.4 53.0 -57.1 -35.0 22.4 -17.9 32.9 132 141 A S H 3< S+ 0 0 77 -4,-1.6 -1,-0.3 1,-0.2 4,-0.2 0.821 114.0 41.5 -70.4 -30.9 26.2 -17.2 32.6 133 142 A L H XX>S+ 0 0 12 -4,-1.1 3,-1.3 -3,-0.6 4,-0.7 0.784 96.4 80.5 -86.0 -28.8 26.5 -16.8 36.4 134 143 A R G ><5S+ 0 0 38 -4,-2.6 3,-1.0 1,-0.3 -2,-0.1 0.863 91.6 47.4 -46.2 -52.6 24.3 -19.7 37.3 135 144 A P G 345S+ 0 0 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-8.9 37.7 145 154 A Y T X5S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 -3,-0.2 0.424 123.6 65.6-145.0 -57.5 24.7 -8.0 37.2 146 155 A A T 4 S+ 0 0 14 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.814 109.2 57.5 -56.6 -33.9 26.1 -4.4 33.5 149 158 A F H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 5,-0.2 0.995 117.8 27.4 -62.9 -63.3 22.3 -5.1 33.2 150 159 A P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.909 123.6 52.0 -65.2 -42.3 20.9 -1.5 33.5 151 160 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.895 108.0 48.4 -65.4 -41.8 24.0 0.1 32.1 152 161 A R H X S+ 0 0 88 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.888 111.4 51.6 -67.3 -34.7 24.3 -1.9 28.9 153 162 A I H X S+ 0 0 5 -4,-1.5 4,-2.0 -5,-0.3 -2,-0.2 0.929 113.6 44.9 -64.8 -42.7 20.6 -1.3 28.3 154 163 A F H X S+ 0 0 20 -4,-2.2 4,-2.6 86,-0.2 -2,-0.2 0.929 111.1 52.0 -66.3 -44.8 21.2 2.4 28.7 155 164 A M H <>S+ 0 0 2 -4,-3.1 5,-2.7 1,-0.2 4,-0.4 0.828 110.3 49.5 -61.6 -32.3 24.4 2.5 26.6 156 165 A L H ><5S+ 0 0 78 -4,-1.8 3,-0.7 3,-0.2 -1,-0.2 0.921 111.2 48.8 -71.7 -44.1 22.5 0.8 23.8 157 166 A L H 3<5S+ 0 0 16 -4,-2.0 53,-3.1 1,-0.2 -2,-0.2 0.880 117.5 41.3 -62.0 -38.1 19.7 3.3 24.1 158 167 A A T 3<5S- 0 0 2 -4,-2.6 53,-0.3 51,-0.2 -1,-0.2 0.466 109.2-125.1 -89.1 -2.9 22.1 6.2 24.0 159 168 A G T < 5 + 0 0 33 -3,-0.7 -3,-0.2 -4,-0.4 -4,-0.1 0.881 59.5 143.7 61.1 41.3 24.3 4.6 21.3 160 169 A L < - 0 0 12 -5,-2.7 -1,-0.2 -6,-0.1 2,-0.2 -0.859 56.0 -99.6-113.3 147.3 27.5 4.7 23.3 161 170 A P > - 0 0 55 0, 0.0 3,-2.5 0, 0.0 4,-0.2 -0.418 21.3-135.7 -67.3 132.7 30.4 2.1 23.4 162 171 A E G > S+ 0 0 103 1,-0.3 3,-1.5 2,-0.2 -6,-0.0 0.749 102.8 70.3 -58.1 -23.3 30.3 -0.2 26.4 163 172 A E G 3 S+ 0 0 166 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.602 90.3 62.0 -71.3 -8.5 34.0 0.3 26.8 164 173 A D G <> S+ 0 0 41 -3,-2.5 4,-2.3 1,-0.2 -1,-0.3 0.482 77.9 92.0 -92.8 -3.9 33.2 3.9 27.9 165 174 A I H <> S+ 0 0 29 -3,-1.5 4,-3.4 -4,-0.2 5,-0.3 0.916 78.6 55.6 -56.9 -49.5 31.3 2.6 31.0 166 175 A P H > S+ 0 0 94 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.926 113.8 40.0 -51.1 -51.8 34.3 2.7 33.4 167 176 A H H > S+ 0 0 98 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.940 119.1 44.8 -64.6 -49.8 35.0 6.3 32.8 168 177 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.904 112.9 52.0 -62.9 -40.6 31.4 7.5 32.7 169 178 A K H X S+ 0 0 19 -4,-3.4 4,-2.0 -5,-0.3 -1,-0.2 0.883 107.8 52.2 -63.2 -40.6 30.5 5.5 35.7 170 179 A Y H X S+ 0 0 81 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.2 0.935 110.6 48.0 -61.6 -46.9 33.4 7.0 37.7 171 180 A L H >X S+ 0 0 1 -4,-2.0 4,-0.8 1,-0.2 3,-0.5 0.923 111.2 48.7 -60.6 -48.4 32.3 10.5 36.9 172 181 A T H >X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.3 3,-1.0 0.891 107.5 56.2 -62.6 -37.7 28.6 10.0 37.8 173 182 A D H 3X S+ 0 0 29 -4,-2.0 4,-2.8 1,-0.3 -1,-0.3 0.811 101.7 57.9 -63.5 -27.9 29.6 8.4 41.1 174 183 A Q H << S+ 0 0 9 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.752 103.9 52.6 -74.6 -20.4 31.5 11.6 41.9 175 184 A M H << S+ 0 0 4 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.726 123.9 24.7 -85.0 -21.3 28.3 13.6 41.5 176 185 A T H < S+ 0 0 3 -4,-1.0 210,-2.2 -3,-0.2 211,-0.5 0.732 140.8 14.4-111.6 -33.9 26.3 11.4 43.9 177 186 A R S < S- 0 0 26 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.1 -0.467 81.4-162.5-142.7 64.6 28.8 9.8 46.3 178 187 A P - 0 0 56 0, 0.0 -4,-0.1 0, 0.0 5,-0.1 -0.183 16.5-157.6 -56.0 135.0 32.1 11.7 45.8 179 188 A D - 0 0 104 3,-0.1 -5,-0.1 0, 0.0 -6,-0.0 0.558 51.3-104.3 -86.9 -10.9 35.3 10.0 47.1 180 189 A G S S+ 0 0 67 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.257 99.9 101.0 107.5 -11.5 37.0 13.4 47.3 181 190 A S S S+ 0 0 72 1,-0.2 2,-0.3 2,-0.0 -7,-0.0 0.684 88.9 32.0 -79.3 -17.2 39.2 13.2 44.2 182 191 A M S S- 0 0 46 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -0.998 73.7-134.4-143.2 138.3 36.8 15.4 42.2 183 192 A T > - 0 0 76 -2,-0.3 4,-2.3 1,-0.1 3,-0.4 -0.478 37.2-107.0 -82.2 159.5 34.4 18.2 43.0 184 193 A F H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.939 123.2 53.6 -51.1 -46.2 30.9 18.1 41.6 185 194 A A H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.845 107.8 49.0 -57.9 -37.9 32.0 20.9 39.2 186 195 A E H > S+ 0 0 100 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.882 111.6 48.9 -70.4 -38.8 35.0 18.9 38.0 187 196 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.896 110.5 51.6 -67.2 -40.0 33.0 15.8 37.3 188 197 A K H X S+ 0 0 27 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.916 109.4 49.5 -62.9 -45.6 30.4 17.8 35.4 189 198 A E H X S+ 0 0 113 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.893 110.7 49.6 -61.6 -40.1 33.0 19.4 33.2 190 199 A A H X S+ 0 0 23 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.912 111.5 49.8 -64.8 -41.1 34.6 16.0 32.5 191 200 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.922 113.5 45.1 -62.6 -45.6 31.1 14.7 31.6 192 201 A Y H X S+ 0 0 1 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.863 107.3 58.2 -67.1 -36.1 30.4 17.6 29.3 193 202 A D H < S+ 0 0 121 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.869 109.4 46.6 -60.4 -36.5 33.9 17.3 27.7 194 203 A Y H X S+ 0 0 36 -4,-1.6 4,-0.5 -5,-0.2 -2,-0.2 0.884 118.4 40.4 -71.8 -41.6 32.9 13.8 26.8 195 204 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.1 3,-0.4 0.847 98.2 72.4 -79.2 -37.8 29.4 14.7 25.4 196 205 A I H X S+ 0 0 92 -4,-3.2 4,-2.1 1,-0.2 5,-0.2 0.917 101.7 42.7 -46.2 -57.5 30.2 18.0 23.5 197 206 A P H > S+ 0 0 77 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.843 115.7 51.3 -61.8 -30.1 32.0 16.4 20.6 198 207 A I H X S+ 0 0 20 -4,-0.5 4,-1.8 -3,-0.4 -2,-0.2 0.890 107.7 51.0 -72.8 -41.1 29.4 13.6 20.5 199 208 A I H X S+ 0 0 4 -4,-2.9 4,-1.2 2,-0.2 5,-0.2 0.929 111.6 46.8 -62.5 -46.9 26.4 16.0 20.4 200 209 A E H X S+ 0 0 88 -4,-2.1 4,-0.9 -5,-0.2 3,-0.5 0.910 110.5 53.9 -62.9 -40.6 27.9 18.0 17.5 201 210 A Q H X S+ 0 0 118 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.863 111.8 44.2 -62.1 -36.1 28.7 14.8 15.6 202 211 A R H < S+ 0 0 45 -4,-1.8 -1,-0.2 2,-0.2 5,-0.2 0.613 106.1 59.4 -86.5 -11.5 25.1 13.6 15.9 203 212 A R H < S+ 0 0 70 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.664 112.4 42.2 -85.0 -17.6 23.6 17.0 15.0 204 213 A Q H < S+ 0 0 118 -4,-0.9 -2,-0.2 1,-0.2 -3,-0.1 0.849 130.1 25.1 -90.8 -47.2 25.5 16.7 11.7 205 214 A K S < S- 0 0 158 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.722 90.2-150.3-120.8 78.2 24.8 13.0 11.1 206 215 A P - 0 0 82 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.180 17.5-175.6 -51.7 131.8 21.5 12.3 13.0 207 216 A G - 0 0 37 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-3,-1.5 7,-1.8 -5,-0.1 2,-0.3 -0.100 58.5-124.9 -80.0 177.6 15.0 17.7 19.1 218 227 A Q E -H 223 0C 122 5,-0.2 2,-0.6 -116,-0.0 -1,-0.1 -0.924 6.1-148.9-123.9 149.8 12.6 20.6 19.5 219 228 A V E > S-H 222 0C 0 3,-3.1 3,-1.3 -2,-0.3 -117,-0.1 -0.944 83.0 -27.0-121.0 106.1 11.4 22.3 22.7 220 229 A N T 3 S- 0 0 127 -2,-0.6 -1,-0.2 -119,-0.3 -119,-0.1 0.943 129.1 -43.8 53.1 53.3 7.9 23.7 22.4 221 230 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.329 120.7 94.7 80.9 -9.4 8.2 24.1 18.6 222 231 A R E < S-H 219 0C 89 -3,-1.3 -3,-3.1 1,-0.0 -1,-0.2 -0.845 82.2 -88.6-118.7 155.4 11.7 25.6 18.4 223 232 A P E -H 218 0C 99 0, 0.0 -5,-0.2 0, 0.0 2,-0.2 -0.310 39.3-123.7 -59.8 134.3 15.2 24.1 17.9 224 233 A I - 0 0 4 -7,-1.8 2,-0.2 -10,-0.1 -6,-0.0 -0.526 28.3-121.8 -76.5 145.7 17.0 23.0 21.0 225 234 A T > - 0 0 61 -2,-0.2 4,-3.1 1,-0.1 5,-0.2 -0.533 17.1-115.6 -87.4 158.6 20.5 24.6 21.4 226 235 A S H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.885 118.8 51.8 -56.6 -40.7 23.7 22.6 21.6 227 236 A D H 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