==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-JUN-03 1PKF . COMPND 2 MOLECULE: CYTOCHROME P450EPOK; . SOURCE 2 ORGANISM_SCIENTIFIC: SORANGIUM CELLULOSUM; . AUTHOR S.NAGANO,H.LI,H.SHIMIZU,C.NISHIDA,H.OGURA,P.R.ORTIZ DE . 403 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 67.0 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 . 30 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 18 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 40.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 0 2 0 1 2 2 2 0 0 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 1 4 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 14 A A 0 0 74 0, 0.0 3,-0.2 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 16.0 16.0 57.3 0.3 2 15 A F - 0 0 169 1,-0.2 2,-0.7 19,-0.2 20,-0.0 0.880 360.0 -8.4 -51.1-117.8 16.9 54.9 -2.5 3 16 A D + 0 0 74 15,-0.1 2,-0.6 2,-0.0 -1,-0.2 -0.783 51.2 173.0-103.6 103.9 15.9 51.2 -3.1 4 17 A F + 0 0 18 -2,-0.7 15,-0.0 -3,-0.2 14,-0.0 -0.906 13.7 151.3-114.4 107.0 14.1 49.1 -0.4 5 18 A K > + 0 0 123 -2,-0.6 3,-1.5 1,-0.1 6,-0.1 -0.702 8.8 169.9-133.7 75.9 13.0 45.7 -1.6 6 19 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.458 79.5 52.6 -73.0 -3.3 12.9 43.4 1.4 7 20 A F T 3 S+ 0 0 8 4,-0.1 3,-0.1 2,-0.1 5,-0.0 0.334 79.8 119.5-110.4 2.1 11.1 40.6 -0.6 8 21 A A S X S- 0 0 39 -3,-1.5 3,-1.7 1,-0.1 4,-0.4 -0.354 80.0 -95.8 -58.9 140.6 13.6 40.6 -3.4 9 22 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.407 113.0 28.1 -54.1 138.6 15.3 37.2 -3.8 10 23 A G T 3> S+ 0 0 43 -3,-0.1 4,-1.8 374,-0.1 -2,-0.1 0.106 92.9 99.7 93.4 -22.1 18.6 37.3 -2.0 11 24 A Y T <4 S+ 0 0 13 -3,-1.7 5,-0.1 2,-0.2 -4,-0.1 0.912 81.8 47.0 -66.2 -43.4 17.6 39.8 0.6 12 25 A A T 4 S+ 0 0 5 -4,-0.4 -1,-0.2 1,-0.2 379,-0.1 0.889 111.7 52.4 -69.5 -39.0 16.8 37.4 3.4 13 26 A E T 4 S- 0 0 83 1,-0.2 -1,-0.2 372,-0.1 -2,-0.2 0.894 137.6 -3.7 -55.7 -44.6 20.1 35.6 2.8 14 27 A D < + 0 0 87 -4,-1.8 4,-0.3 1,-0.1 -1,-0.2 -0.595 66.1 159.6-158.9 82.7 22.0 38.8 3.1 15 28 A P > + 0 0 1 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.575 55.3 92.9 -82.2 -7.9 20.1 42.1 3.5 16 29 A F H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.875 79.3 50.0 -68.2 -45.3 23.0 44.1 4.9 17 30 A P H > S+ 0 0 60 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.951 114.2 48.4 -52.5 -51.9 24.5 45.7 1.7 18 31 A A H > S+ 0 0 22 -4,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.897 115.6 41.0 -53.6 -48.8 21.0 47.0 0.7 19 32 A I H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.725 109.3 58.5 -82.3 -18.3 20.1 48.5 4.1 20 33 A E H X S+ 0 0 67 -4,-2.2 4,-3.7 -5,-0.2 5,-0.4 0.947 105.6 52.3 -67.8 -44.2 23.6 50.0 4.7 21 34 A R H X S+ 0 0 131 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.914 115.0 41.6 -50.5 -47.6 23.0 51.9 1.5 22 35 A L H X S+ 0 0 1 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.945 115.7 48.0 -69.2 -47.0 19.7 53.0 2.9 23 36 A R H < S+ 0 0 18 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.933 113.1 47.9 -63.9 -47.9 21.0 53.7 6.4 24 37 A E H < S+ 0 0 129 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.847 115.7 45.3 -58.2 -35.3 24.1 55.7 5.2 25 38 A A H < S- 0 0 54 -4,-1.6 -2,-0.2 -5,-0.4 -1,-0.2 0.791 125.7 -1.9 -82.4 -27.4 21.9 57.8 2.8 26 39 A T < - 0 0 21 -4,-2.1 -1,-0.2 -5,-0.1 3,-0.1 -0.994 43.6-140.4-164.5 149.3 19.1 58.7 5.1 27 40 A P S S+ 0 0 27 0, 0.0 13,-1.4 0, 0.0 14,-0.5 0.549 94.6 22.2 -84.1 -13.5 17.6 58.2 8.6 28 41 A I E +A 39 0A 12 11,-0.2 2,-0.3 275,-0.2 11,-0.2 -0.975 61.3 162.8-159.3 140.3 14.0 58.0 7.2 29 42 A F E -A 38 0A 10 9,-1.5 9,-2.8 -2,-0.3 2,-0.6 -0.958 37.9-107.0-152.0 164.7 12.2 57.1 4.0 30 43 A Y E -A 37 0A 78 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.887 22.5-149.9-103.3 123.5 8.7 56.1 2.8 31 44 A W E >> -A 36 0A 10 5,-3.1 5,-1.4 -2,-0.6 4,-1.1 -0.841 9.0-162.7 -93.7 103.1 8.3 52.5 1.8 32 45 A D T >45S+ 0 0 132 -2,-0.9 3,-0.9 1,-0.2 -1,-0.2 0.935 87.2 43.8 -57.7 -52.4 5.6 52.7 -0.9 33 46 A E T 345S+ 0 0 85 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.849 117.8 46.5 -63.4 -28.9 4.6 49.0 -0.9 34 47 A G T 345S- 0 0 2 2,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.565 100.1-138.3 -88.6 -9.4 4.7 48.9 3.0 35 48 A R T <<5 + 0 0 89 -4,-1.1 277,-0.6 -3,-0.9 2,-0.3 0.909 67.0 91.6 51.9 48.6 2.7 52.1 3.2 36 49 A S E S- 0 0 78 -14,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.777 72.7-123.0-115.3 147.4 19.4 54.4 12.5 42 55 A Y H > S+ 0 0 19 -2,-0.3 4,-3.6 278,-0.3 5,-0.2 0.929 107.4 45.3 -47.3 -56.0 20.0 53.1 16.1 43 56 A H H > S+ 0 0 121 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.850 114.9 47.2 -68.9 -33.4 19.2 56.2 18.0 44 57 A D H > S+ 0 0 38 2,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.920 115.2 46.3 -71.0 -43.2 16.1 57.0 16.1 45 58 A V H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.944 113.0 50.2 -61.5 -48.3 14.9 53.4 16.4 46 59 A S H X S+ 0 0 28 -4,-3.6 4,-0.9 -5,-0.2 3,-0.2 0.904 110.9 48.9 -54.3 -44.5 15.7 53.2 20.1 47 60 A A H >X S+ 0 0 43 -4,-1.9 4,-1.7 -5,-0.2 3,-0.6 0.866 103.8 57.2 -69.0 -38.7 13.9 56.4 20.9 48 61 A V H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.3 6,-0.2 0.824 98.9 62.4 -67.1 -31.7 10.7 55.6 19.1 49 62 A F H 3< S+ 0 0 21 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.896 116.7 30.0 -53.9 -44.3 10.4 52.4 21.2 50 63 A R H << S+ 0 0 152 -4,-0.9 2,-0.5 -3,-0.6 -2,-0.2 0.622 96.2 105.7 -94.0 -12.6 10.1 54.6 24.3 51 64 A D >< - 0 0 30 -4,-1.7 3,-1.5 1,-0.1 -4,-0.0 -0.565 56.3-158.1 -78.3 116.1 8.4 57.6 22.6 52 65 A E T 3 S+ 0 0 159 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.1 0.553 83.5 78.7 -80.7 -6.6 4.7 57.8 23.6 53 66 A R T 3 S+ 0 0 91 1,-0.1 244,-3.0 243,-0.1 2,-0.5 0.567 91.1 68.2 -64.9 -8.8 3.7 59.9 20.6 54 67 A F E < S-C 296 0A 11 -3,-1.5 242,-0.2 242,-0.2 2,-0.2 -0.963 76.5-155.0-119.7 120.4 3.9 56.5 18.8 55 68 A A E -C 295 0A 12 240,-3.0 240,-2.3 -2,-0.5 -2,-0.0 -0.551 19.2-155.1 -96.0 161.3 1.4 53.7 19.6 56 69 A V + 0 0 15 238,-0.2 -1,-0.1 -2,-0.2 237,-0.1 0.752 66.4 102.8 -93.1 -37.1 1.6 50.0 19.3 57 70 A S > - 0 0 14 1,-0.2 3,-1.9 28,-0.2 4,-0.2 -0.265 66.0-146.8 -59.5 126.4 -2.2 49.4 18.9 58 71 A R G > S+ 0 0 37 1,-0.3 3,-1.3 20,-0.2 -1,-0.2 0.648 95.0 76.9 -67.5 -12.3 -3.1 48.7 15.3 59 72 A E G 3 S+ 0 0 72 1,-0.3 -1,-0.3 19,-0.2 5,-0.2 0.723 85.4 61.4 -71.6 -19.4 -6.3 50.5 16.1 60 73 A E G < S+ 0 0 60 -3,-1.9 -1,-0.3 4,-0.1 -2,-0.2 0.590 84.5 107.9 -75.8 -12.0 -4.3 53.8 15.9 61 74 A W S X S- 0 0 7 -3,-1.3 3,-1.9 -4,-0.2 4,-0.2 -0.368 77.3-129.7 -71.9 143.8 -3.5 53.0 12.2 62 75 A E T 3 S+ 0 0 113 248,-2.7 3,-0.2 1,-0.3 -1,-0.1 0.679 114.3 48.8 -61.1 -18.2 -5.2 55.0 9.4 63 76 A S T 3> S+ 0 0 26 247,-0.3 4,-2.2 1,-0.1 -1,-0.3 0.019 73.5 123.6-111.2 22.3 -6.0 51.6 7.9 64 77 A S H <> + 0 0 23 -3,-1.9 4,-2.8 2,-0.2 5,-0.2 0.866 69.3 55.4 -47.6 -45.0 -7.4 50.2 11.2 65 78 A A H > S+ 0 0 83 1,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.948 110.0 44.6 -60.7 -52.0 -10.8 49.3 9.6 66 79 A E H > S+ 0 0 71 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.909 114.6 50.4 -54.7 -46.2 -9.3 47.2 6.8 67 80 A Y H < S+ 0 0 9 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.930 109.5 49.6 -64.5 -44.6 -6.9 45.5 9.4 68 81 A S H < S+ 0 0 40 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.802 109.5 51.9 -66.1 -27.7 -9.6 44.6 11.9 69 82 A S H < S+ 0 0 87 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.766 90.7 91.9 -78.2 -27.6 -11.9 43.0 9.2 70 83 A A S < S+ 0 0 19 -4,-1.3 4,-0.2 -3,-0.3 102,-0.0 -0.473 101.6 0.3 -69.9 140.6 -9.1 40.8 7.9 71 84 A I S > S- 0 0 11 -2,-0.2 3,-2.5 1,-0.1 -1,-0.2 0.950 72.0-168.6 43.7 68.5 -9.0 37.3 9.5 72 85 A P G > S+ 0 0 84 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.721 79.8 74.1 -60.3 -22.0 -12.0 37.9 11.8 73 86 A E G 3 S+ 0 0 82 1,-0.3 4,-0.2 2,-0.1 3,-0.2 0.728 100.7 45.6 -56.1 -24.7 -11.1 34.7 13.6 74 87 A L G <> S+ 0 0 1 -3,-2.5 4,-1.7 -4,-0.2 -1,-0.3 0.227 79.4 105.5-104.5 12.4 -8.3 36.8 15.1 75 88 A S H <> S+ 0 0 48 -3,-1.8 4,-1.9 1,-0.2 5,-0.2 0.912 81.5 49.3 -61.5 -45.3 -10.3 39.9 16.0 76 89 A D H > S+ 0 0 77 -4,-0.3 4,-3.2 1,-0.2 5,-0.3 0.937 109.8 51.8 -55.4 -49.6 -10.3 39.1 19.7 77 90 A M H > S+ 0 0 19 1,-0.2 4,-0.8 -4,-0.2 7,-0.4 0.823 111.7 47.8 -58.9 -32.9 -6.5 38.6 19.6 78 91 A K H < S+ 0 0 25 -4,-1.7 -20,-0.2 2,-0.2 -1,-0.2 0.792 118.3 38.7 -78.4 -32.4 -6.1 42.0 17.9 79 92 A K H < S+ 0 0 92 -4,-1.9 -2,-0.2 -3,-0.2 -3,-0.2 0.915 130.8 25.0 -86.0 -44.0 -8.3 43.9 20.3 80 93 A Y H < S+ 0 0 72 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.302 99.6 99.7-106.2 4.2 -7.4 42.3 23.6 81 94 A G S X S- 0 0 4 -4,-0.8 4,-1.9 -5,-0.3 3,-0.4 -0.285 93.1 -88.5 -84.9 178.7 -3.9 41.0 22.9 82 95 A L T 4 S+ 0 0 24 1,-0.2 -26,-0.1 151,-0.2 -25,-0.1 0.780 125.5 49.4 -67.4 -24.9 -0.7 42.7 24.0 83 96 A F T 4 S+ 0 0 97 -6,-0.3 -1,-0.2 1,-0.1 -27,-0.1 0.867 115.3 41.9 -79.8 -29.8 -0.4 44.9 20.8 84 97 A G T 4 S+ 0 0 4 -3,-0.4 -2,-0.2 -7,-0.4 -1,-0.1 0.771 87.9 100.2 -92.5 -29.4 -4.0 46.1 20.9 85 98 A L S < S- 0 0 13 -4,-1.9 -28,-0.2 1,-0.1 -29,-0.1 -0.260 80.6-106.7 -56.7 142.7 -4.7 46.9 24.6 86 99 A P >> - 0 0 67 0, 0.0 4,-2.4 0, 0.0 3,-1.0 -0.404 42.4 -98.2 -67.8 156.0 -4.4 50.5 25.7 87 100 A P H 3> S+ 0 0 89 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.719 121.6 49.5 -53.7 -34.8 -1.3 51.2 27.7 88 101 A E H 3> S+ 0 0 168 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.857 114.9 44.4 -77.8 -34.1 -2.8 51.0 31.2 89 102 A D H <> S+ 0 0 56 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.853 112.9 53.2 -69.5 -37.3 -4.5 47.6 30.3 90 103 A H H X S+ 0 0 4 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.920 107.7 49.8 -65.2 -43.4 -1.2 46.5 28.7 91 104 A A H X S+ 0 0 58 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.894 110.4 51.7 -60.0 -43.3 0.8 47.3 31.9 92 105 A R H X S+ 0 0 62 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.947 110.9 45.6 -58.3 -54.3 -1.7 45.4 34.0 93 106 A V H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.941 115.4 47.9 -59.1 -46.6 -1.5 42.3 31.8 94 107 A R H X S+ 0 0 16 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.907 106.5 55.7 -59.8 -43.5 2.3 42.5 31.7 95 108 A K H < S+ 0 0 148 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.927 110.4 49.3 -56.8 -39.2 2.6 43.0 35.5 96 109 A L H < S+ 0 0 32 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.895 120.5 29.5 -64.3 -49.2 0.6 39.8 35.9 97 110 A V H >< S+ 0 0 2 -4,-1.8 3,-1.5 1,-0.2 4,-0.5 0.733 97.8 82.9 -92.6 -24.2 2.5 37.4 33.6 98 111 A N G >< S+ 0 0 60 -4,-2.7 3,-2.0 1,-0.3 4,-0.3 0.865 84.9 60.5 -51.6 -44.2 6.1 38.9 33.7 99 112 A P G > S+ 0 0 81 0, 0.0 3,-0.9 0, 0.0 -1,-0.3 0.838 99.7 57.9 -53.3 -31.6 6.9 37.0 37.0 100 113 A S G < S+ 0 0 18 -3,-1.5 -2,-0.2 1,-0.2 112,-0.1 0.600 105.2 51.4 -75.3 -9.4 6.3 33.7 35.2 101 114 A F G < S+ 0 0 12 -3,-2.0 255,-0.4 -4,-0.5 256,-0.2 0.343 77.9 119.0-112.1 10.5 8.9 34.5 32.5 102 115 A T S <> S- 0 0 65 -3,-0.9 4,-2.6 -4,-0.3 5,-0.2 -0.276 79.0-104.6 -70.6 163.9 12.1 35.5 34.6 103 116 A S H > S+ 0 0 79 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.859 121.9 50.9 -52.1 -40.3 15.3 33.5 34.3 104 117 A R H 4 S+ 0 0 219 2,-0.2 4,-0.4 1,-0.2 3,-0.3 0.929 110.9 46.3 -67.9 -49.0 14.6 31.8 37.6 105 118 A A H >4 S+ 0 0 36 -6,-0.2 3,-1.1 1,-0.2 -2,-0.2 0.919 114.0 47.6 -58.8 -44.8 11.0 30.8 36.8 106 119 A I H >< S+ 0 0 2 -4,-2.6 3,-2.2 1,-0.2 4,-0.2 0.699 89.9 84.2 -77.9 -13.2 11.9 29.4 33.4 107 120 A D G >< S+ 0 0 78 -4,-1.0 3,-1.7 -3,-0.3 -1,-0.2 0.774 77.0 69.9 -54.5 -29.0 14.9 27.4 34.8 108 121 A L G X S+ 0 0 139 -3,-1.1 3,-0.5 -4,-0.4 4,-0.4 0.750 90.2 62.8 -58.7 -22.5 12.5 24.7 35.7 109 122 A L G <> S+ 0 0 17 -3,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.584 75.3 96.8 -82.5 -9.4 12.1 23.9 32.0 110 123 A R H <> S+ 0 0 100 -3,-1.7 4,-2.1 -4,-0.2 -1,-0.2 0.826 81.6 46.2 -53.2 -43.2 15.8 23.0 31.7 111 124 A A H <> S+ 0 0 60 -3,-0.5 4,-2.5 -4,-0.2 -1,-0.2 0.919 113.2 48.2 -71.1 -42.4 15.4 19.2 31.9 112 125 A E H > S+ 0 0 43 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.946 111.7 50.3 -65.8 -41.2 12.5 18.9 29.5 113 126 A I H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.940 112.1 47.8 -61.2 -42.0 14.3 21.1 26.9 114 127 A Q H X S+ 0 0 47 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.902 110.3 52.1 -66.4 -42.0 17.4 18.9 27.2 115 128 A R H X S+ 0 0 135 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.927 110.8 47.8 -56.2 -47.4 15.3 15.8 26.9 116 129 A T H X S+ 0 0 5 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.950 112.8 48.0 -62.7 -46.5 13.7 17.1 23.7 117 130 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.890 111.7 52.8 -57.9 -40.9 17.1 18.1 22.3 118 131 A D H X S+ 0 0 59 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.933 110.5 43.8 -64.1 -48.3 18.4 14.7 23.2 119 132 A Q H X S+ 0 0 106 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.819 109.9 55.9 -73.0 -28.6 15.7 12.6 21.5 120 133 A L H X S+ 0 0 23 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.2 0.911 113.5 41.6 -66.1 -40.2 15.7 14.8 18.3 121 134 A L H X S+ 0 0 6 -4,-1.7 4,-1.7 -5,-0.2 3,-0.3 0.855 115.1 51.2 -76.4 -32.3 19.4 14.1 17.9 122 135 A D H < S+ 0 0 136 -4,-2.2 4,-0.2 1,-0.2 -2,-0.2 0.980 110.8 48.4 -63.6 -52.7 19.1 10.5 18.9 123 136 A A H < S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.574 128.3 17.1 -66.2 -17.4 16.3 9.9 16.3 124 137 A R H >< S+ 0 0 92 -4,-0.7 3,-0.8 -3,-0.3 -1,-0.2 0.494 92.0 93.6-138.6 -4.4 18.0 11.5 13.3 125 138 A S T 3< S+ 0 0 36 -4,-1.7 -2,-0.1 1,-0.2 -3,-0.1 0.429 77.4 71.1 -74.9 4.4 21.7 11.9 13.8 126 139 A G T 3 S+ 0 0 66 -4,-0.2 -1,-0.2 3,-0.1 4,-0.1 0.752 81.3 76.5 -94.6 -27.0 22.5 8.5 12.1 127 140 A Q S < S- 0 0 118 -3,-0.8 -3,-0.0 2,-0.2 3,-0.0 0.041 90.0-106.0 -72.6-174.5 21.7 9.3 8.4 128 141 A E S S+ 0 0 161 1,-0.1 2,-0.5 271,-0.1 272,-0.2 0.899 101.5 58.5 -81.3 -45.4 23.9 11.2 6.0 129 142 A E + 0 0 78 270,-0.1 2,-0.4 268,-0.1 -2,-0.2 -0.743 58.4 179.7 -91.2 127.7 21.7 14.4 5.9 130 143 A F E -E 398 0B 3 268,-1.4 268,-2.7 -2,-0.5 2,-0.8 -0.972 12.4-158.6-123.8 118.2 20.9 16.4 9.0 131 144 A D E >> -E 397 0B 7 -2,-0.4 4,-2.8 266,-0.2 5,-0.6 -0.837 5.4-156.9 -97.2 109.0 18.7 19.5 8.6 132 145 A V I 4>S+ 0 0 0 264,-3.0 5,-3.1 -2,-0.8 6,-0.2 0.777 92.9 39.0 -60.6 -26.1 19.2 21.8 11.5 133 146 A V I >4>S+ 0 0 1 3,-0.2 5,-2.6 4,-0.2 3,-0.7 0.956 124.6 31.9 -81.6 -70.7 15.8 23.4 10.8 134 147 A R I 345S+ 0 0 130 260,-0.3 -2,-0.2 1,-0.2 261,-0.1 0.800 130.0 36.3 -58.4 -37.9 13.6 20.5 9.9 135 148 A D I 3<5S+ 0 0 4 -4,-2.8 -1,-0.2 3,-0.1 -3,-0.2 0.530 135.2 6.4 -96.3 -7.4 15.3 17.9 12.1 136 149 A Y I X S+ 0 0 3 -3,-1.5 4,-1.9 -4,-0.3 3,-0.3 0.945 87.6 52.8 -98.4 -57.7 12.1 22.6 20.1 141 154 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.790 109.0 48.8 -57.6 -36.9 10.3 25.8 20.8 142 155 A M H > S+ 0 0 6 -4,-0.4 4,-3.0 2,-0.2 5,-0.2 0.890 107.1 56.6 -72.9 -35.9 6.8 24.4 21.0 143 156 A R H > S+ 0 0 13 -4,-0.3 4,-1.7 -3,-0.3 5,-0.2 0.968 110.0 47.7 -56.6 -45.2 8.0 21.6 23.4 144 157 A A H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.910 113.1 44.1 -59.6 -53.1 9.2 24.4 25.6 145 158 A I H X S+ 0 0 4 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.921 113.8 52.3 -61.1 -43.2 6.1 26.6 25.6 146 159 A S H <>S+ 0 0 0 -4,-3.0 5,-3.4 2,-0.2 4,-0.3 0.782 108.0 51.3 -62.6 -28.4 3.9 23.5 26.0 147 160 A A H ><5S+ 0 0 20 -4,-1.7 3,-1.0 -5,-0.2 -2,-0.2 0.927 109.5 50.3 -73.4 -44.6 6.0 22.4 29.1 148 161 A L H 3<5S+ 0 0 13 -4,-2.3 64,-0.6 1,-0.2 65,-0.3 0.837 119.0 37.6 -56.9 -34.7 5.6 25.9 30.5 149 162 A L T 3<5S- 0 0 8 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.409 112.7-121.4 -95.1 -2.7 1.8 25.6 29.9 150 163 A K T < 5 + 0 0 92 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.937 56.5 154.4 54.6 57.9 1.8 21.8 30.9 151 164 A V < - 0 0 8 -5,-3.4 -1,-0.2 -8,-0.2 -2,-0.1 -0.923 47.7-106.8-111.2 133.9 0.4 20.6 27.6 152 165 A P > - 0 0 85 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.296 24.1-117.6 -62.6 147.4 1.2 17.0 26.5 153 166 A A G > S+ 0 0 58 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.695 108.6 74.3 -59.4 -21.2 3.7 16.5 23.7 154 167 A E G 3 S+ 0 0 172 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.780 96.6 49.6 -64.8 -24.7 1.0 14.9 21.6 155 168 A C G <> S+ 0 0 27 -3,-2.3 4,-2.2 1,-0.2 -1,-0.3 0.370 83.7 98.0 -90.4 2.6 -0.4 18.4 21.0 156 169 A D H <> S+ 0 0 24 -3,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.883 80.6 47.8 -63.0 -43.5 2.9 19.9 20.0 157 170 A E H > S+ 0 0 78 -4,-0.4 4,-1.8 -3,-0.3 -1,-0.2 0.826 110.9 51.6 -69.4 -34.5 2.5 19.8 16.2 158 171 A K H > S+ 0 0 81 -4,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.932 113.5 44.2 -67.9 -45.6 -1.0 21.2 16.3 159 172 A F H X S+ 0 0 3 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.853 110.9 53.7 -68.1 -34.1 0.2 24.2 18.4 160 173 A R H X S+ 0 0 72 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.917 110.7 47.6 -63.7 -44.3 3.3 24.8 16.3 161 174 A R H X S+ 0 0 148 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.912 113.6 47.9 -60.8 -44.5 1.1 24.9 13.2 162 175 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.909 111.9 49.8 -63.4 -44.5 -1.2 27.3 15.1 163 176 A G H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.938 114.6 42.6 -60.2 -48.2 1.7 29.4 16.2 164 177 A S H X S+ 0 0 22 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.916 116.0 48.8 -69.8 -39.4 3.3 29.8 12.9 165 178 A A H X S+ 0 0 7 -4,-2.5 4,-3.1 -5,-0.2 -2,-0.2 0.919 111.1 50.4 -66.5 -43.7 -0.1 30.3 11.1 166 179 A T H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.911 105.7 54.7 -62.2 -44.7 -1.1 32.9 13.6 167 180 A A H < S+ 0 0 28 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.942 116.0 39.7 -57.8 -43.7 2.1 34.9 13.2 168 181 A R H >< S+ 0 0 32 -4,-1.9 3,-1.9 1,-0.2 4,-0.5 0.926 111.1 56.7 -70.6 -41.0 1.5 35.1 9.5 169 182 A A H >< S+ 0 0 0 -4,-3.1 3,-1.1 1,-0.3 -1,-0.2 0.804 99.8 60.0 -61.4 -32.7 -2.2 35.7 9.7 170 183 A L T 3< S+ 0 0 47 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.665 98.9 59.5 -67.8 -20.3 -1.6 38.7 11.8 171 184 A G T X> S+ 0 0 8 -3,-1.9 3,-2.5 -4,-0.4 4,-2.5 0.685 77.3 111.2 -75.0 -18.8 0.4 40.1 8.9 172 185 A V T <4 S+ 0 0 32 -3,-1.1 -102,-0.1 -4,-0.5 5,-0.0 -0.417 94.2 4.0 -68.4 121.2 -2.7 39.9 6.5 173 186 A G T 34 S+ 0 0 23 2,-0.4 -1,-0.3 -2,-0.2 -106,-0.1 0.422 129.5 65.3 84.2 -0.3 -3.7 43.5 5.8 174 187 A L T <4 S+ 0 0 7 -3,-2.5 -2,-0.2 1,-0.5 -3,-0.1 0.735 100.8 33.8-118.1 -54.6 -0.7 44.9 7.7 175 188 A V S < S- 0 0 25 -4,-2.5 -1,-0.5 1,-0.0 -2,-0.4 -0.849 86.5-112.4-114.1 149.2 2.4 43.9 6.0 176 189 A P S S+ 0 0 39 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.619 91.0 25.2 -54.6 -41.0 2.7 43.6 2.2 177 190 A R - 0 0 124 211,-0.1 2,-0.5 209,-0.1 -5,-0.1 -0.698 56.2-173.0-140.7 79.3 3.2 39.9 1.1 178 191 A V - 0 0 35 -3,-0.3 2,-1.3 -2,-0.3 209,-0.1 -0.681 24.4-141.8 -72.8 120.3 2.0 37.2 3.4 179 192 A D + 0 0 52 -2,-0.5 2,-0.3 207,-0.2 207,-0.1 -0.317 65.7 65.7 -91.6 54.8 3.4 34.0 1.7 180 193 A E S S- 0 0 93 -2,-1.3 2,-0.2 -12,-0.1 -2,-0.1 -0.959 85.5 -87.7-167.4 148.7 0.6 31.5 2.2 181 194 A E > - 0 0 133 -2,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.435 30.7-135.2 -59.3 127.8 -3.1 30.8 1.3 182 195 A T H > S+ 0 0 80 1,-0.2 4,-3.4 -2,-0.2 5,-0.2 0.839 101.7 56.5 -49.8 -43.0 -5.7 32.3 3.5 183 196 A K H > S+ 0 0 178 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.880 109.4 44.7 -68.3 -36.7 -7.8 29.2 3.8 184 197 A T H > S+ 0 0 73 -3,-0.5 4,-2.1 2,-0.2 5,-0.2 0.944 115.5 48.2 -68.6 -48.9 -4.9 27.1 5.1 185 198 A L H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.941 111.8 50.0 -54.2 -50.6 -3.9 29.9 7.5 186 199 A V H X S+ 0 0 30 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.875 108.8 51.4 -62.2 -40.5 -7.5 30.3 8.7 187 200 A A H X S+ 0 0 61 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.906 111.7 46.3 -62.2 -47.4 -7.9 26.5 9.3 188 201 A S H X S+ 0 0 22 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.893 113.7 49.7 -62.3 -39.5 -4.8 26.3 11.4 189 202 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.933 113.6 45.8 -64.3 -46.0 -5.8 29.4 13.4 190 203 A T H X S+ 0 0 68 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.922 114.6 45.5 -60.8 -52.8 -9.3 28.0 14.0 191 204 A E H X S+ 0 0 100 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.909 113.2 51.6 -58.6 -46.8 -8.2 24.6 15.1 192 205 A G H X S+ 0 0 1 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.917 108.5 49.5 -57.5 -47.9 -5.5 26.1 17.3 193 206 A L H X S+ 0 0 50 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.826 111.8 51.0 -60.7 -33.5 -7.9 28.4 19.0 194 207 A A H X S+ 0 0 47 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.932 109.7 48.5 -65.3 -51.3 -10.2 25.4 19.6 195 208 A L H X S+ 0 0 43 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.925 111.0 52.2 -54.8 -45.8 -7.4 23.3 21.1 196 209 A L H X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.893 104.7 54.0 -59.6 -44.9 -6.5 26.3 23.3 197 210 A H H X S+ 0 0 112 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.911 110.9 48.1 -55.9 -43.9 -10.1 26.6 24.6 198 211 A G H X S+ 0 0 33 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.835 109.9 51.0 -64.1 -37.4 -9.9 22.9 25.5 199 212 A V H X S+ 0 0 22 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.957 113.7 45.3 -65.7 -47.0 -6.5 23.3 27.3 200 213 A L H X S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.845 111.7 50.1 -65.7 -40.7 -7.8 26.2 29.3 201 214 A D H X S+ 0 0 80 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.865 110.3 51.9 -68.5 -35.7 -11.2 24.5 30.3 202 215 A E H X S+ 0 0 92 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.894 108.9 50.7 -64.5 -34.4 -9.2 21.4 31.4 203 216 A R H < S+ 0 0 7 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.835 106.8 52.6 -76.6 -29.7 -7.0 23.6 33.6 204 217 A R H < S+ 0 0 97 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.842 113.8 45.3 -69.9 -32.5 -9.9 25.3 35.2 205 218 A R H < S+ 0 0 209 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.915 128.2 26.9 -71.2 -47.8 -11.2 21.8 36.0 206 219 A N S < S- 0 0 79 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 -0.665 83.4-170.9-120.0 70.8 -7.8 20.6 37.2 207 220 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.304 10.6-147.5 -66.4 150.3 -5.9 23.6 38.5 208 221 A L - 0 0 77 3,-0.1 3,-0.5 -5,-0.0 2,-0.2 -0.811 13.4-107.4-125.8 154.3 -2.2 23.1 39.4 209 222 A E S S+ 0 0 171 -2,-0.3 3,-0.1 1,-0.2 5,-0.1 -0.584 98.7 7.0 -83.3 144.4 0.3 24.4 41.8 210 223 A N S S+ 0 0 153 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.928 96.8 143.3 57.5 53.4 3.0 26.8 40.6 211 224 A D > - 0 0 1 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 -0.985 52.5-145.2-138.0 130.5 1.5 27.0 37.2 212 225 A V H > S+ 0 0 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114 -4,-1.2 3,-0.4 1,-0.2 4,-0.2 -0.131 110.2 -44.0 -78.7 178.9 -11.2 37.2 41.0 223 236 A G S S- 0 0 65 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 -0.062 97.9 -50.6 -45.3 149.0 -11.9 40.9 40.9 224 237 A S S S+ 0 0 124 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.1 0.145 91.5 117.5 -36.5 98.3 -10.9 42.7 37.7 225 238 A R S S+ 0 0 103 -6,-0.5 2,-0.2 -3,-0.4 -5,-0.2 0.458 82.9 3.4-134.1 -15.4 -7.3 41.7 36.9 226 239 A L - 0 0 5 -7,-0.4 -1,-0.3 -4,-0.2 2,-0.1 -0.778 67.9-138.1-178.0 119.0 -7.6 39.9 33.6 227 240 A S > - 0 0 51 -2,-0.2 4,-2.4 -3,-0.1 5,-0.2 -0.416 29.7-110.7 -83.2 164.4 -10.6 39.3 31.3 228 241 A T H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.895 120.5 49.4 -62.2 -37.6 -11.3 36.0 29.6 229 242 A K H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.888 110.3 49.9 -71.5 -34.8 -10.5 37.6 26.2 230 243 A E H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.903 112.4 48.9 -67.1 -39.5 -7.2 39.1 27.5 231 244 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.923 113.1 44.4 -65.8 -51.7 -6.2 35.8 28.9 232 245 A V H X S+ 0 0 50 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