==== 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 11-OCT-07 2ZAW . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR K.HARADA,K.SAKURAI,H.SHIMADA,T.TSUKIHARA,T.HAYASHI . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 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 . 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 . 53 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 3 1 0 1 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 0 199 0, 0.0 2,-0.5 0, 0.0 49,-0.5 0.000 360.0 360.0 360.0 141.7 -1.0 9.1 2.3 2 11 A L - 0 0 91 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.948 360.0-134.3-111.5 122.4 -4.0 7.1 1.0 3 12 A A - 0 0 23 45,-3.0 49,-0.0 -2,-0.5 46,-0.0 -0.411 37.1 -86.6 -72.9 148.0 -4.8 3.9 3.0 4 13 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.243 50.5-105.2 -53.0 136.5 -5.5 0.7 1.0 5 14 A L - 0 0 60 -3,-0.1 6,-0.1 1,-0.1 43,-0.0 -0.505 36.7-118.5 -65.2 120.4 -9.2 0.5 0.0 6 15 A P > - 0 0 31 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.325 24.2-113.2 -60.1 147.3 -11.0 -2.0 2.2 7 16 A P T 3 S+ 0 0 140 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.732 112.9 53.6 -54.0 -28.3 -12.5 -5.0 0.3 8 17 A H T 3 S+ 0 0 47 2,-0.1 294,-0.2 294,-0.0 -3,-0.0 0.464 88.4 91.8 -86.2 -5.8 -16.1 -4.0 1.0 9 18 A V S < S- 0 0 8 -3,-2.1 2,-0.2 292,-0.1 5,-0.0 -0.817 70.2-139.2 -95.8 121.6 -15.8 -0.4 -0.3 10 19 A P > - 0 0 48 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.538 16.0-123.8 -81.2 147.9 -16.7 0.2 -3.9 11 20 A E G > S+ 0 0 132 1,-0.3 3,-1.9 -2,-0.2 35,-0.1 0.798 105.6 66.5 -55.0 -34.2 -14.7 2.5 -6.1 12 21 A H G 3 S+ 0 0 148 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.629 99.8 51.5 -69.8 -11.4 -17.7 4.7 -7.0 13 22 A L G < S+ 0 0 15 -3,-1.9 33,-2.9 32,-0.1 2,-0.4 0.417 83.3 115.1-100.1 -0.2 -18.0 5.9 -3.4 14 23 A V B < +a 46 0A 24 -3,-1.9 2,-0.4 -4,-0.2 33,-0.2 -0.604 28.0 158.5 -79.0 123.2 -14.3 6.9 -3.1 15 24 A F - 0 0 61 31,-2.8 2,-2.3 -2,-0.4 30,-0.1 -0.919 34.1-143.7-144.0 107.7 -13.8 10.7 -2.5 16 25 A D + 0 0 58 -2,-0.4 2,-0.3 31,-0.2 31,-0.1 -0.341 32.3 167.9 -83.9 61.9 -10.4 11.4 -1.0 17 26 A F - 0 0 7 -2,-2.3 2,-0.7 32,-0.1 32,-0.3 -0.549 24.9-150.2 -72.9 133.4 -11.4 14.3 1.2 18 27 A D > - 0 0 47 -2,-0.3 3,-1.6 3,-0.1 -2,-0.1 -0.897 5.7-165.2-109.8 105.8 -8.7 15.2 3.8 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.651 89.3 50.0 -67.1 -15.9 -10.3 16.7 6.9 20 29 A Y T 3 S+ 0 0 49 1,-0.2 364,-0.4 365,-0.1 -1,-0.3 0.490 131.5 12.4 -98.4 -5.4 -7.0 18.1 8.2 21 30 A N S < S- 0 0 103 -3,-1.6 -1,-0.2 362,-0.1 -2,-0.2 -0.319 80.0-165.3-166.4 66.6 -6.1 19.8 4.9 22 31 A P > - 0 0 1 0, 0.0 3,-1.9 0, 0.0 11,-0.1 -0.342 26.3-124.0 -68.3 145.2 -9.0 19.9 2.5 23 32 A S T 3 S+ 0 0 121 1,-0.3 3,-0.3 9,-0.1 9,-0.0 0.756 108.7 50.5 -62.7 -26.1 -8.1 20.7 -1.1 24 33 A N T > S+ 0 0 60 8,-0.2 3,-2.3 1,-0.2 4,-0.3 0.227 73.4 123.4 -94.9 19.4 -10.4 23.8 -1.4 25 34 A L G X + 0 0 20 -3,-1.9 3,-2.1 1,-0.3 357,-0.4 0.789 62.2 64.3 -54.9 -34.2 -9.1 25.3 1.9 26 35 A S G 3 S+ 0 0 108 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.729 95.6 60.8 -65.5 -19.7 -8.1 28.7 0.3 27 36 A A G < S- 0 0 50 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.571 130.5 -75.4 -76.8 -11.8 -11.8 29.4 -0.5 28 37 A G <> - 0 0 8 -3,-2.1 4,-2.3 -4,-0.3 -1,-0.3 -0.204 42.3 -99.4 117.4 143.6 -12.7 29.2 3.2 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.922 122.7 49.4 -68.7 -41.3 -12.9 26.2 5.4 30 39 A Q H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.934 113.6 48.7 -58.6 -42.4 -16.8 25.9 5.3 31 40 A E H 4 S+ 0 0 59 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.861 108.8 53.9 -61.1 -39.6 -16.5 26.3 1.5 32 41 A A H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 -8,-0.2 0.887 112.0 43.0 -65.2 -42.0 -13.8 23.6 1.4 33 42 A W H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.842 103.2 67.6 -71.3 -31.6 -16.0 21.1 3.3 34 43 A A G >< S+ 0 0 20 -4,-2.1 3,-2.0 1,-0.3 -1,-0.2 0.577 76.4 82.9 -68.7 -10.0 -19.0 22.1 1.2 35 44 A V G X S+ 0 0 14 -3,-0.8 3,-1.4 -4,-0.4 -1,-0.3 0.788 81.9 66.5 -59.2 -23.8 -17.3 20.5 -1.8 36 45 A L G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.570 95.8 56.1 -73.1 -7.9 -18.8 17.3 -0.3 37 46 A Q G < S+ 0 0 19 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.122 74.5 126.7-113.3 17.4 -22.3 18.7 -1.1 38 47 A E S X S- 0 0 104 -3,-1.4 3,-2.1 1,-0.1 -3,-0.0 -0.444 76.0-106.2 -69.5 151.9 -21.7 19.2 -4.9 39 48 A S T 3 S+ 0 0 123 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.749 116.6 53.6 -57.3 -29.2 -24.5 17.5 -7.0 40 49 A N T 3 S+ 0 0 121 2,-0.1 -1,-0.3 0, 0.0 -4,-0.0 0.424 88.7 94.6 -85.7 -0.9 -22.2 14.6 -8.2 41 50 A V S < S- 0 0 7 -3,-2.1 4,-0.1 -6,-0.1 -28,-0.1 -0.839 76.5-124.8 -98.1 125.9 -21.1 13.6 -4.7 42 51 A P - 0 0 48 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.129 23.9-109.3 -59.9 162.2 -23.1 10.8 -3.0 43 52 A D S S+ 0 0 47 1,-0.2 14,-3.0 256,-0.1 15,-0.6 0.721 109.2 33.2 -63.2 -25.7 -24.7 11.2 0.4 44 53 A L E S+ B 0 56A 4 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.984 76.1 172.2-139.3 120.7 -22.1 8.8 1.9 45 54 A V E - B 0 55A 1 10,-2.3 10,-2.4 -2,-0.4 2,-0.5 -0.837 26.4-129.2-127.4 163.5 -18.6 8.5 0.6 46 55 A W E -aB 14 54A 9 -33,-2.9 -31,-2.8 -2,-0.3 2,-0.4 -0.969 17.5-162.0-113.0 127.4 -15.3 6.8 1.6 47 56 A T E - B 0 53A 0 6,-2.7 6,-2.3 -2,-0.5 -31,-0.2 -0.901 14.5-155.0-103.8 139.8 -12.1 8.7 1.9 48 57 A R > + 0 0 72 -2,-0.4 -45,-3.0 4,-0.2 3,-0.6 0.471 66.9 105.4 -86.4 -2.6 -8.7 6.9 1.9 49 58 A C G > S+ 0 0 12 -32,-0.3 3,-2.3 1,-0.2 -47,-0.1 -0.337 76.4 17.9 -73.7 157.6 -7.2 9.8 3.8 50 59 A N G 3 S- 0 0 43 -49,-0.5 31,-0.4 1,-0.3 -1,-0.2 0.817 141.7 -46.2 52.5 37.7 -6.3 9.8 7.4 51 60 A G G < S- 0 0 62 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.2 0.241 105.7 -70.7 92.0 -11.0 -6.4 6.0 7.6 52 61 A G < + 0 0 3 -3,-2.3 256,-0.3 1,-0.1 2,-0.3 0.502 65.5 160.6 97.4 124.0 -9.7 5.5 5.7 53 62 A H E -B 47 0A 0 -6,-2.3 -6,-2.7 254,-0.1 256,-0.2 -0.986 36.7-100.6-163.8 160.2 -13.2 6.4 6.8 54 63 A W E -Bc 46 309A 0 254,-2.8 256,-3.0 -2,-0.3 2,-0.4 -0.453 27.9-157.1 -76.5 158.3 -16.7 7.1 5.7 55 64 A I E -Bc 45 310A 0 -10,-2.4 -10,-2.3 254,-0.2 2,-0.5 -0.963 8.6-148.7-136.4 122.2 -18.1 10.6 5.5 56 65 A A E -B 44 0A 0 254,-2.3 -12,-0.2 -2,-0.4 259,-0.1 -0.791 16.1-172.8 -82.6 128.1 -21.9 11.4 5.7 57 66 A T + 0 0 0 -14,-3.0 2,-0.3 -2,-0.5 -13,-0.1 0.557 54.7 63.8-105.3 -8.3 -22.3 14.5 3.6 58 67 A R S > S- 0 0 3 -15,-0.6 4,-2.4 1,-0.1 3,-0.5 -0.908 78.1-122.3-124.4 145.8 -25.9 15.6 4.1 59 68 A G H > S+ 0 0 0 -2,-0.3 4,-2.9 256,-0.3 5,-0.3 0.829 108.4 60.7 -50.4 -40.2 -27.8 16.7 7.2 60 69 A Q H > S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.937 112.2 36.6 -57.6 -47.6 -30.4 13.9 6.9 61 70 A L H > S+ 0 0 0 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.868 115.0 54.8 -72.5 -40.2 -27.7 11.2 7.3 62 71 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.951 112.7 43.7 -60.1 -48.4 -25.7 13.2 9.8 63 72 A R H X S+ 0 0 59 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.931 113.0 51.3 -60.8 -48.1 -28.8 13.6 12.1 64 73 A E H X S+ 0 0 70 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.915 111.8 46.5 -57.3 -45.6 -29.9 10.0 11.6 65 74 A A H < S+ 0 0 0 -4,-2.7 7,-0.3 1,-0.2 -1,-0.2 0.884 110.2 52.5 -70.0 -37.8 -26.5 8.6 12.6 66 75 A Y H < S+ 0 0 5 -4,-2.2 279,-0.6 -5,-0.2 -1,-0.2 0.809 111.3 48.6 -64.6 -29.9 -26.1 10.9 15.7 67 76 A E H < S+ 0 0 109 -4,-1.9 2,-1.5 1,-0.2 -2,-0.2 0.841 100.5 69.1 -74.2 -34.9 -29.5 9.7 16.8 68 77 A D >X + 0 0 40 -4,-1.7 4,-2.4 1,-0.2 3,-0.6 -0.577 52.5 160.0 -93.1 76.1 -28.7 6.0 16.4 69 78 A Y T 34 + 0 0 68 -2,-1.5 -1,-0.2 1,-0.2 5,-0.1 0.630 67.9 69.9 -70.9 -14.6 -26.1 5.4 19.1 70 79 A R T 34 S+ 0 0 186 -3,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.908 115.4 22.9 -69.4 -38.5 -26.7 1.7 18.9 71 80 A H T <4 S+ 0 0 51 -3,-0.6 222,-2.1 1,-0.2 2,-0.7 0.767 126.9 50.0 -91.2 -33.5 -25.1 1.4 15.5 72 81 A F E < S-D 292 0A 0 -4,-2.4 2,-0.2 -7,-0.3 220,-0.2 -0.879 79.7-163.7-117.6 96.5 -22.9 4.6 15.6 73 82 A S E > -D 291 0A 3 218,-2.9 218,-2.1 -2,-0.7 3,-0.6 -0.564 26.5-145.7 -92.6 144.1 -20.9 4.6 18.8 74 83 A S T 3 S+ 0 0 0 -2,-0.2 -1,-0.1 1,-0.2 215,-0.1 0.348 78.5 100.3 -79.9 2.5 -19.0 7.5 20.5 75 84 A E T 3 S+ 0 0 139 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.881 97.5 21.2 -58.4 -40.4 -16.4 5.0 21.7 76 85 A C S < S+ 0 0 5 -3,-0.6 -1,-0.3 1,-0.1 8,-0.2 -0.766 80.1 157.4-129.4 79.8 -14.0 6.0 19.0 77 86 A P + 0 0 2 0, 0.0 212,-2.2 0, 0.0 2,-0.3 0.464 47.4 70.0 -91.6 -4.6 -15.3 9.4 17.9 78 87 A F S S- 0 0 13 210,-0.2 6,-0.7 3,-0.1 7,-0.1 -0.886 77.5-107.4-115.7 149.3 -12.2 11.0 16.3 79 88 A I S S+ 0 0 3 -2,-0.3 2,-0.2 4,-0.1 307,-0.1 -0.906 91.7 56.6-102.1 138.6 -10.3 10.4 13.1 80 89 A P S >> S- 0 0 25 0, 0.0 4,-2.3 0, 0.0 3,-1.0 0.536 88.2-124.9 -77.0 170.3 -7.6 9.1 12.7 81 90 A R H 3> S+ 0 0 83 -31,-0.4 4,-2.9 1,-0.3 5,-0.2 0.843 109.1 57.7 -52.7 -40.0 -8.3 5.8 14.5 82 91 A E H 3> S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.869 109.4 46.3 -61.1 -36.0 -5.3 6.2 16.9 83 92 A A H <> S+ 0 0 5 -3,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.932 113.0 48.1 -70.3 -46.6 -6.9 9.5 18.1 84 93 A G H < S+ 0 0 0 -4,-2.3 -2,-0.2 -6,-0.7 -1,-0.2 0.875 112.6 49.9 -62.6 -36.3 -10.4 8.0 18.4 85 94 A E H < S+ 0 0 133 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.927 114.1 43.7 -66.9 -43.4 -8.9 5.0 20.3 86 95 A A H < S+ 0 0 18 -4,-2.0 2,-0.3 -5,-0.2 -2,-0.2 0.805 89.7 103.6 -70.2 -28.3 -7.0 7.2 22.7 87 96 A Y < + 0 0 13 -4,-2.2 -9,-0.1 1,-0.2 98,-0.0 -0.403 34.8 152.3 -62.5 118.0 -10.0 9.6 23.1 88 97 A D + 0 0 35 -2,-0.3 -1,-0.2 -12,-0.1 5,-0.1 0.145 14.4 144.3-136.7 19.9 -11.5 8.8 26.5 89 98 A F > - 0 0 3 3,-0.1 4,-1.8 145,-0.1 143,-0.2 -0.218 51.5 -90.6 -65.3 152.9 -13.1 12.0 27.7 90 99 A I T 4 S- 0 0 0 141,-1.3 145,-0.2 1,-0.2 -1,-0.1 -0.952 97.6 -0.1-115.2 133.7 -16.4 11.8 29.7 91 100 A P T >4 S+ 0 0 4 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 -0.979 123.9 63.7 -95.5 6.0 -19.2 11.9 28.7 92 101 A T T 34 S+ 0 0 31 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.534 99.3 54.4 -73.6 -9.5 -18.3 12.2 25.0 93 102 A S T 3< S+ 0 0 15 -4,-1.8 2,-0.3 -5,-0.1 -1,-0.3 0.304 101.5 79.2 -98.5 8.2 -16.5 8.8 24.7 94 103 A M < - 0 0 9 -3,-1.7 -6,-0.0 -5,-0.1 -5,-0.0 -0.848 66.0-145.2-115.0 151.6 -19.6 7.0 26.1 95 104 A D > - 0 0 36 -2,-0.3 4,-2.0 -22,-0.1 3,-0.3 -0.740 42.7 -61.7 -98.5 157.7 -22.9 5.9 24.6 96 105 A P T 4 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.489 115.0 38.1 -58.9 150.1 -26.2 5.8 26.4 97 106 A P T >> S+ 0 0 120 0, 0.0 3,-1.0 0, 0.0 4,-0.5 -0.948 127.6 37.4 -76.6 -24.4 -27.1 4.3 28.8 98 107 A E T 34 S+ 0 0 108 -3,-0.3 3,-0.4 1,-0.3 4,-0.3 0.814 112.3 59.2 -55.9 -38.3 -23.7 4.7 30.5 99 108 A Q T >X S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.2 4,-0.5 0.843 89.8 70.2 -59.4 -38.6 -23.2 8.3 29.3 100 109 A R H X> S+ 0 0 134 -3,-1.0 3,-1.5 1,-0.3 4,-0.6 0.822 86.0 61.3 -65.4 -37.6 -26.2 9.9 30.7 101 110 A Q H 3< S+ 0 0 54 -4,-0.5 119,-0.5 -3,-0.4 4,-0.3 0.703 103.0 54.3 -61.7 -21.2 -25.4 9.9 34.4 102 111 A F H <> S+ 0 0 1 -3,-1.7 4,-1.7 -4,-0.3 -1,-0.3 0.631 89.1 77.2 -86.3 -15.6 -22.3 12.1 33.8 103 112 A R H S+ 0 0 5 -4,-0.3 4,-1.1 -3,-0.3 -1,-0.2 0.926 112.6 46.5 -68.2 -43.7 -22.2 17.0 36.7 106 115 A A H >X S+ 0 0 2 -4,-1.7 4,-1.9 1,-0.2 3,-0.6 0.914 110.0 54.6 -60.8 -43.4 -20.9 18.6 33.5 107 116 A N H 3X S+ 0 0 66 -4,-2.9 4,-2.2 1,-0.2 7,-0.3 0.869 102.8 58.0 -59.1 -37.2 -24.0 20.7 33.3 108 117 A Q H 3< S+ 0 0 119 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.846 112.9 38.2 -59.6 -38.3 -23.4 22.0 36.9 109 118 A V H << S+ 0 0 3 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.701 134.2 16.3 -93.9 -21.9 -20.0 23.4 36.0 110 119 A V H < S+ 0 0 13 -4,-1.9 243,-0.5 100,-0.1 -3,-0.2 0.408 103.3 97.3-129.6 2.1 -20.5 24.8 32.5 111 120 A G S >X S- 0 0 0 -4,-2.2 4,-1.7 -5,-0.3 3,-0.8 0.032 91.5 -67.4 -85.9-167.0 -24.3 25.1 32.1 112 121 A M H 3> S+ 0 0 82 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.841 125.8 55.6 -56.8 -45.3 -26.8 27.9 32.5 113 122 A P H 3> S+ 0 0 91 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.888 110.9 48.0 -58.7 -32.9 -26.6 28.4 36.3 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0.780 123.5 49.8 -85.7 -28.0 -4.4 36.7 19.6 144 153 A D H <5S- 0 0 43 -4,-2.8 -3,-0.2 3,-0.1 -2,-0.2 0.677 134.7 -11.6 -89.6 -20.0 -5.8 40.0 20.9 145 154 A Y T X5S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 -3,-0.2 0.493 121.5 63.1-143.4 -52.9 -9.4 38.9 21.5 146 155 A A T 4 S+ 0 0 15 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.829 108.4 58.0 -63.4 -30.7 -7.9 35.7 25.5 149 158 A F H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 5,-0.2 0.992 117.7 26.6 -64.8 -64.3 -11.7 36.4 26.0 150 159 A P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.887 122.5 54.5 -67.0 -34.3 -13.1 32.9 26.1 151 160 A I H X S+ 0 0 2 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.935 108.4 47.4 -68.8 -39.1 -9.9 31.4 27.4 152 161 A R H X S+ 0 0 85 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.908 110.9 51.9 -67.9 -36.3 -9.6 33.7 30.4 153 162 A I H X S+ 0 0 3 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.949 113.1 46.4 -62.0 -41.6 -13.3 33.2 31.3 154 163 A F H X S+ 0 0 6 -4,-2.4 4,-2.7 86,-0.2 -2,-0.2 0.930 110.6 50.2 -66.5 -43.5 -12.6 29.4 31.2 155 164 A M H X>S+ 0 0 1 -4,-3.0 5,-2.6 1,-0.2 4,-0.6 0.878 112.0 50.2 -64.5 -34.2 -9.5 29.6 33.3 156 165 A L H ><5S+ 0 0 79 -4,-2.3 3,-1.0 -5,-0.2 -1,-0.2 0.950 111.7 46.7 -63.3 -49.2 -11.4 31.7 35.8 157 166 A L H 3<5S+ 0 0 13 -4,-2.6 53,-2.8 1,-0.3 -2,-0.2 0.886 117.0 43.9 -62.6 -36.3 -14.2 29.2 35.9 158 167 A A H 3<5S- 0 0 1 -4,-2.7 53,-0.3 51,-0.2 -1,-0.3 0.479 108.1-123.7 -87.8 -4.5 -11.7 26.3 36.3 159 168 A G T <<5 + 0 0 33 -3,-1.0 -3,-0.2 -4,-0.6 -4,-0.1 0.867 61.7 144.3 62.6 36.9 -9.5 28.1 38.9 160 169 A L < - 0 0 9 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.864 55.5-102.9-109.6 142.2 -6.4 27.7 36.7 161 170 A P > - 0 0 58 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.365 19.5-134.9 -64.9 137.2 -3.6 30.3 36.4 162 171 A E G > S+ 0 0 102 1,-0.3 3,-2.0 2,-0.2 -7,-0.0 0.808 102.8 68.6 -61.0 -27.7 -3.6 32.4 33.2 163 172 A E G 3 S+ 0 0 167 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.690 91.3 63.1 -68.5 -10.5 0.1 31.9 32.8 164 173 A D G <> S+ 0 0 44 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.511 77.7 93.6 -85.3 -6.6 -0.7 28.2 32.1 165 174 A I H <> S+ 0 0 29 -3,-2.0 4,-3.4 1,-0.2 5,-0.4 0.911 77.0 54.5 -57.0 -49.2 -2.6 29.2 28.9 166 175 A P H > S+ 0 0 94 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.920 113.9 42.1 -55.7 -41.5 0.2 28.8 26.3 167 176 A H H > S+ 0 0 100 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.947 117.9 44.7 -67.8 -50.2 0.9 25.3 27.4 168 177 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.884 113.2 51.0 -63.9 -38.9 -2.7 24.2 27.7 169 178 A K H X S+ 0 0 18 -4,-3.4 4,-2.4 -5,-0.2 -1,-0.2 0.887 109.1 51.6 -66.4 -40.2 -3.7 25.8 24.4 170 179 A Y H X S+ 0 0 88 -4,-1.9 4,-1.3 -5,-0.4 -2,-0.2 0.952 112.6 45.3 -58.7 -48.2 -0.8 24.1 22.6 171 180 A L H X S+ 0 0 3 -4,-2.3 4,-0.7 2,-0.2 3,-0.4 0.917 112.0 50.8 -63.4 -45.5 -1.9 20.7 24.0 172 181 A T H >X S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 4,-0.6 0.914 107.6 54.5 -59.0 -44.1 -5.6 21.2 23.2 173 182 A D H >X S+ 0 0 29 -4,-2.4 4,-2.9 1,-0.3 3,-0.5 0.788 100.2 60.5 -61.7 -27.2 -4.7 22.2 19.6 174 183 A Q H 3< S+ 0 0 8 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.738 102.9 52.7 -72.4 -20.1 -2.8 19.0 19.1 175 184 A M H << S+ 0 0 3 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.648 123.9 24.8 -83.8 -18.0 -6.0 17.1 19.8 176 185 A T H << S+ 0 0 2 -4,-0.6 210,-2.3 -3,-0.5 211,-0.4 0.712 140.8 13.8-117.4 -34.8 -8.0 19.0 17.2 177 186 A R S < S- 0 0 28 -4,-2.9 -2,-0.1 208,-0.2 208,-0.1 -0.520 82.0-159.4-142.8 65.7 -5.5 20.3 14.6 178 187 A P - 0 0 57 0, 0.0 -4,-0.1 0, 0.0 5,-0.1 -0.182 15.8-152.4 -57.5 136.7 -2.3 18.4 15.3 179 188 A D - 0 0 97 3,-0.1 -5,-0.1 1,-0.0 -6,-0.0 0.527 48.6-108.1 -82.9 -5.9 0.9 20.0 13.9 180 189 A G S S+ 0 0 68 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.238 99.3 99.2 99.9 -10.8 2.4 16.5 13.7 181 190 A S S S+ 0 0 75 1,-0.2 2,-0.4 2,-0.0 -7,-0.0 0.671 87.5 35.5 -81.0 -16.9 4.9 16.8 16.6 182 191 A M S S- 0 0 41 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -1.000 75.0-134.0-138.2 136.4 2.5 14.9 19.0 183 192 A T > - 0 0 71 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.374 36.5-107.0 -73.5 165.0 0.1 12.1 18.6 184 193 A F H > S+ 0 0 13 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.937 122.8 54.7 -56.0 -46.5 -3.3 12.5 20.2 185 194 A A H > S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.900 109.0 47.3 -57.2 -42.3 -2.3 9.9 22.9 186 195 A E H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 113.0 47.4 -65.8 -42.0 0.8 12.0 23.7 187 196 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.915 113.3 49.8 -65.7 -41.4 -1.2 15.3 23.9 188 197 A K H X S+ 0 0 19 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.928 110.1 49.4 -59.9 -47.4 -3.8 13.6 26.0 189 198 A E H X S+ 0 0 104 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.886 110.3 51.3 -62.3 -37.3 -1.2 12.1 28.4 190 199 A A H X S+ 0 0 25 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.884 109.4 50.1 -65.0 -38.7 0.4 15.6 28.7 191 200 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.910 112.5 47.1 -66.8 -40.0 -3.0 17.1 29.6 192 201 A Y H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.849 104.7 60.2 -68.3 -33.5 -3.5 14.4 32.2 193 202 A D H < S+ 0 0 131 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.892 111.6 42.4 -57.0 -39.9 0.0 15.0 33.5 194 203 A Y H X S+ 0 0 34 -4,-1.6 4,-0.7 1,-0.1 -2,-0.2 0.937 119.6 41.4 -69.3 -50.3 -1.2 18.6 34.2 195 204 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.817 97.1 71.4 -73.9 -36.7 -4.6 17.7 35.6 196 205 A I H X S+ 0 0 88 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.898 102.1 41.9 -55.5 -48.3 -3.9 14.7 37.8 197 206 A P H > S+ 0 0 78 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.859 116.0 51.1 -64.8 -33.8 -2.1 16.5 40.7 198 207 A I H X S+ 0 0 26 -4,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.915 108.4 51.1 -72.4 -41.5 -4.6 19.4 40.5 199 208 A I H X S+ 0 0 4 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.921 112.4 46.1 -59.8 -44.0 -7.5 17.0 40.8 200 209 A E H X S+ 0 0 71 -4,-2.2 4,-2.1 -5,-0.2 3,-0.4 0.930 110.1 54.0 -69.9 -38.0 -6.1 15.3 43.8 201 210 A Q H X S+ 0 0 141 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.917 112.2 44.9 -55.0 -42.0 -5.2 18.7 45.4 202 211 A R H < S+ 0 0 44 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.648 108.9 54.5 -85.3 -13.6 -8.9 19.8 45.0 203 212 A R H < S+ 0 0 75 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.794 114.9 42.7 -78.3 -33.9 -10.3 16.4 46.2 204 213 A Q H < S+ 0 0 143 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.891 135.3 16.1 -73.6 -42.5 -8.1 17.0 49.4 205 214 A K S < S- 0 0 159 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.760 87.5-153.9-135.9 81.5 -9.0 20.7 49.7 206 215 A P - 0 0 77 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.297 12.4-174.6 -64.0 140.1 -12.0 21.5 47.6 207 216 A G - 0 0 40 2,-0.1 -48,-0.0 -5,-0.1 0, 0.0 -0.331 39.8-101.0-106.4-158.9 -12.6 25.0 46.2 208 217 A T S S+ 0 0 126 -2,-0.1 -49,-0.1 4,-0.1 2,-0.0 0.368 82.9 111.3-108.7 2.5 -15.7 26.4 44.3 209 218 A D S > S- 0 0 25 -51,-0.1 4,-2.3 1,-0.1 -51,-0.2 -0.235 84.1-100.8 -74.8 165.2 -14.1 26.2 40.8 210 219 A A H > S+ 0 0 6 -53,-2.8 4,-2.6 1,-0.2 5,-0.2 0.829 120.6 52.5 -58.5 -36.7 -15.2 23.8 38.1 211 220 A I H > S+ 0 0 3 -53,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.928 110.2 48.3 -70.1 -41.8 -12.3 21.3 38.7 212 221 A S H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.900 112.2 50.2 -58.9 -42.9 -13.1 21.1 42.4 213 222 A I H < S+ 0 0 49 -4,-2.3 -2,-0.2 1,-0.2 4,-0.2 0.943 114.8 42.2 -66.4 -43.7 -16.8 20.6 41.7 214 223 A V H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.944 113.4 53.1 -63.1 -45.6 -16.2 17.8 39.2 215 224 A A H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.753 118.3 35.7 -67.0 -24.6 -13.5 16.2 41.4 216 225 A N T 3< S+ 0 0 73 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.213 97.7 124.5-108.8 10.4 -15.8 16.0 44.4 217 226 A G < - 0 0 10 -3,-1.6 7,-2.6 -4,-0.2 2,-0.4 -0.120 53.9-132.3 -73.1 165.6 -19.0 15.3 42.3 218 227 A Q E -H 223 0C 135 5,-0.2 2,-0.5 -116,-0.0 -1,-0.1 -0.910 8.1-152.2-114.4 150.0 -21.5 12.6 42.5 219 228 A V E > S-H 222 0C 1 3,-3.1 3,-1.8 -2,-0.4 -117,-0.1 -0.985 81.5 -25.2-124.7 112.3 -22.8 10.6 39.6 220 229 A N T 3 S- 0 0 129 -119,-0.5 -1,-0.1 -2,-0.5 -118,-0.1 0.900 130.0 -47.1 38.9 50.9 -26.3 9.3 40.1 221 230 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.439 120.7 95.4 82.9 3.0 -25.8 9.4 43.8 222 231 A R E < S-H 219 0C 83 -3,-1.8 -3,-3.1 1,-0.0 -1,-0.2 -0.880 82.4 -88.7-122.3 156.8 -22.3 7.7 44.0 223 232 A P E -H 218 0C 97 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.362 37.7-119.8 -67.9 140.3 -18.9 9.4 44.2 224 233 A I - 0 0 4 -7,-2.6 2,-0.2 -10,-0.1 3,-0.0 -0.469 31.3-121.7 -66.3 146.6 -17.0 10.2 41.0 225 234 A T > - 0 0 64 -2,-0.1 4,-2.7 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