==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-JUN-06 2HI4 . COMPND 2 MOLECULE: CYTOCHROME P450 1A2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.SANSEN,J.K.YANO,R.L.REYNALD,G.S.SCHOCH,C.D.STOUT, . 480 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21415.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 7.7 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 5 0 1 1 1 0 0 1 1 0 2 0 1 0 2 0 0 0 1 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 8 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 34 A R 0 0 269 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -21.1 20.8 29.7 -7.9 2 35 A V - 0 0 53 4,-0.0 3,-0.1 6,-0.0 4,-0.1 -0.999 360.0-106.0-132.2 131.8 22.3 32.5 -5.7 3 36 A P > - 0 0 62 0, 0.0 3,-1.8 0, 0.0 364,-0.1 -0.191 49.1 -83.2 -58.6 156.7 22.0 36.2 -6.7 4 37 A K T 3 S+ 0 0 201 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.204 112.3 15.3 -55.6 135.1 25.0 38.0 -8.1 5 38 A G T 3 S+ 0 0 63 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.423 103.9 100.8 80.7 -2.8 27.4 39.2 -5.5 6 39 A L < - 0 0 74 -3,-1.8 2,-0.3 -4,-0.1 -1,-0.2 -0.805 56.1-145.4-112.9 158.6 26.1 37.2 -2.5 7 40 A K B -a 366 0A 166 358,-0.6 360,-2.3 -2,-0.3 -3,-0.0 -0.890 15.0-117.2-123.2 157.7 27.4 34.0 -0.9 8 41 A S - 0 0 42 -2,-0.3 360,-0.1 358,-0.2 3,-0.1 -0.364 43.3 -84.4 -82.3 161.6 25.8 31.0 0.7 9 42 A P - 0 0 6 0, 0.0 34,-0.2 0, 0.0 -1,-0.1 -0.229 61.2 -78.6 -61.0 156.4 26.2 29.9 4.4 10 43 A P - 0 0 41 0, 0.0 34,-2.6 0, 0.0 29,-0.1 -0.381 50.1-165.0 -60.1 130.6 29.2 27.8 5.3 11 44 A E - 0 0 79 32,-0.2 34,-0.1 -3,-0.1 3,-0.1 -0.943 11.7-139.0-127.4 113.5 28.8 24.1 4.4 12 45 A P - 0 0 8 0, 0.0 2,-0.0 0, 0.0 34,-0.0 -0.238 41.4 -86.3 -61.9 157.7 30.9 21.2 5.7 13 46 A W - 0 0 189 32,-0.0 2,-0.3 7,-0.0 0, 0.0 -0.352 54.0-171.2 -62.7 142.3 32.0 18.5 3.3 14 47 A G - 0 0 21 -3,-0.1 6,-0.2 31,-0.1 3,-0.1 -0.918 24.5 -97.1-136.6 165.3 29.4 15.7 3.0 15 48 A W B > -C 19 0B 150 4,-1.9 4,-2.8 -2,-0.3 6,-0.1 -0.450 48.0 -96.1 -80.5 152.0 29.0 12.3 1.4 16 49 A P T 4 S- 0 0 96 0, 0.0 2,-2.7 0, 0.0 -1,-0.1 -0.387 105.3 -0.6 -65.4 146.0 27.3 11.9 -2.0 17 50 A L T 4 S+ 0 0 158 1,-0.2 -2,-0.0 -3,-0.1 30,-0.0 -0.175 133.9 58.1 71.1 -48.4 23.7 10.9 -1.7 18 51 A L T >4 S- 0 0 61 -2,-2.7 30,-2.2 1,-0.2 3,-1.6 0.792 76.0-175.0 -83.2 -31.9 23.8 10.9 2.1 19 52 A G B 3< -CD 15 47B 6 -4,-2.8 -4,-1.9 1,-0.2 3,-0.2 -0.528 68.9 -30.0 69.0-129.5 25.0 14.5 2.8 20 53 A H T >> S+ 0 0 8 26,-3.7 4,-1.0 -2,-0.3 3,-0.9 0.283 101.9 114.6-107.3 15.6 25.6 14.8 6.5 21 54 A V H X> S+ 0 0 21 -3,-1.6 4,-1.0 1,-0.3 3,-0.5 0.852 73.1 55.1 -55.0 -40.0 23.1 12.3 7.8 22 55 A L H 34 S+ 0 0 123 1,-0.2 -1,-0.3 -3,-0.2 3,-0.2 0.862 102.9 60.1 -64.6 -28.4 25.5 9.8 9.3 23 56 A T H <4 S+ 0 0 72 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.863 95.9 59.2 -66.4 -34.8 27.0 12.7 11.3 24 57 A L H X< S+ 0 0 9 -4,-1.0 3,-0.7 -3,-0.5 7,-0.4 0.876 81.2 165.5 -61.6 -39.8 23.8 13.5 13.2 25 58 A G T 3< - 0 0 53 -4,-1.0 -1,-0.1 -3,-0.2 -2,-0.1 -0.084 62.1 -36.3 57.7-153.1 23.6 10.0 14.6 26 59 A K T 3 S+ 0 0 152 1,-0.3 436,-0.3 2,-0.1 -1,-0.2 0.597 140.2 47.0 -80.2 -12.7 21.3 9.3 17.5 27 60 A N X> + 0 0 27 -3,-0.7 4,-1.9 1,-0.1 3,-1.0 -0.645 63.7 172.1-132.4 76.7 21.8 12.6 19.1 28 61 A P H 3> S+ 0 0 8 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.816 78.5 56.4 -53.4 -36.2 21.5 15.3 16.4 29 62 A H H 3> S+ 0 0 5 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.846 107.7 48.0 -69.3 -34.5 21.6 18.2 18.8 30 63 A L H <> S+ 0 0 50 -3,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.915 114.3 45.8 -70.6 -43.2 25.0 17.0 20.3 31 64 A A H X S+ 0 0 5 -4,-1.9 4,-2.4 -7,-0.4 -2,-0.2 0.865 113.9 47.2 -66.6 -40.8 26.6 16.5 16.8 32 65 A L H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.760 106.0 59.6 -75.1 -24.8 25.3 19.9 15.5 33 66 A S H X S+ 0 0 5 -4,-1.1 4,-1.6 -5,-0.2 -1,-0.2 0.918 111.0 41.7 -67.5 -38.3 26.5 21.6 18.6 34 67 A R H X S+ 0 0 153 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.910 113.0 52.5 -71.7 -43.7 30.0 20.4 17.7 35 68 A M H X S+ 0 0 22 -4,-2.4 4,-2.5 1,-0.2 3,-0.5 0.874 111.1 48.1 -60.4 -37.1 29.6 21.1 14.0 36 69 A S H X S+ 0 0 11 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.858 101.6 63.1 -71.3 -36.2 28.6 24.7 14.9 37 70 A Q H < S+ 0 0 108 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.744 114.3 35.8 -61.2 -19.2 31.5 25.1 17.3 38 71 A R H < S+ 0 0 202 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.876 129.1 26.6 -97.9 -48.2 33.7 24.6 14.2 39 72 A Y H < S- 0 0 87 -4,-2.5 2,-0.2 1,-0.3 -3,-0.2 0.787 109.0 -91.5 -89.4 -31.6 31.8 26.4 11.4 40 73 A G < - 0 0 20 -4,-1.8 -1,-0.3 -5,-0.3 3,-0.2 -0.779 33.9 -73.5 142.3 171.6 29.7 29.0 12.9 41 74 A D S S+ 0 0 52 -2,-0.2 15,-1.5 1,-0.2 16,-0.5 0.501 121.6 45.1 -78.5 -10.3 26.4 30.2 14.3 42 75 A V E S+ E 0 55B 2 13,-0.2 2,-0.3 -6,-0.1 -1,-0.2 -0.882 78.4 138.9-139.9 100.5 24.9 30.1 10.8 43 76 A L E - E 0 54B 0 11,-1.7 11,-3.7 -2,-0.3 2,-0.4 -0.931 39.5-133.6-140.4 163.3 25.7 27.1 8.7 44 77 A Q E + E 0 53B 22 -34,-2.6 9,-0.2 -2,-0.3 2,-0.2 -0.937 18.8 179.6-120.6 146.4 24.1 24.8 6.3 45 78 A I E - E 0 52B 0 7,-2.9 7,-2.5 -2,-0.4 2,-0.4 -0.663 22.2-129.9-122.8-176.2 24.2 21.0 6.3 46 79 A R E - E 0 51B 56 5,-0.2 -26,-3.7 -2,-0.2 2,-0.5 -0.995 10.5-163.7-142.0 137.0 22.6 18.7 3.9 47 80 A I E > S-DE 19 50B 0 3,-2.1 3,-2.3 -2,-0.4 2,-0.4 -0.996 80.3 -32.2-119.8 118.8 20.5 15.6 4.8 48 81 A G T 3 S- 0 0 5 -30,-2.2 -28,-0.1 -2,-0.5 158,-0.1 -0.599 126.4 -40.2 65.6-126.7 20.1 13.4 1.8 49 82 A S T 3 S+ 0 0 97 156,-0.5 -1,-0.3 -2,-0.4 -31,-0.1 0.295 113.9 112.6-111.6 8.3 20.2 16.2 -0.9 50 83 A T E < -E 47 0B 48 -3,-2.3 -3,-2.1 155,-0.2 2,-0.1 -0.721 65.7-132.0 -86.7 121.3 18.0 18.6 1.1 51 84 A P E -E 46 0B 51 0, 0.0 322,-0.7 0, 0.0 2,-0.4 -0.447 24.4-169.5 -69.1 138.9 19.8 21.8 2.3 52 85 A V E -Ef 45 373B 0 -7,-2.5 -7,-2.9 -2,-0.1 2,-0.4 -0.994 13.8-144.2-133.8 125.2 19.2 22.6 6.0 53 86 A L E -Ef 44 374B 1 320,-3.0 322,-2.8 -2,-0.4 2,-0.5 -0.753 16.0-158.6 -86.4 128.5 20.1 25.8 7.8 54 87 A V E -Ef 43 375B 1 -11,-3.7 -11,-1.7 -2,-0.4 2,-0.5 -0.933 5.2-166.6-113.3 124.3 21.3 25.4 11.4 55 88 A L E +Ef 42 376B 0 320,-2.6 322,-2.3 -2,-0.5 -13,-0.2 -0.917 17.2 160.0-111.3 132.2 21.2 28.3 13.8 56 89 A S + 0 0 0 -15,-1.5 2,-0.4 -2,-0.5 -1,-0.1 0.580 42.9 79.3-127.1 -13.3 23.1 27.9 17.2 57 90 A R S > S- 0 0 51 -16,-0.5 4,-2.8 1,-0.1 5,-0.3 -0.820 70.3-130.4-107.3 141.9 23.9 31.2 18.9 58 91 A L H > S+ 0 0 32 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.900 108.4 48.9 -53.6 -44.4 21.5 33.2 20.9 59 92 A D H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.933 114.2 45.2 -61.0 -47.5 22.3 36.5 19.1 60 93 A T H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.890 112.0 51.7 -64.8 -38.4 22.0 34.9 15.6 61 94 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.4 0.866 110.2 49.1 -66.5 -39.0 18.7 33.1 16.6 62 95 A R H X>S+ 0 0 97 -4,-2.1 5,-2.1 -5,-0.3 4,-1.8 0.871 109.1 53.6 -68.9 -38.5 17.2 36.3 17.8 63 96 A Q H <>S+ 0 0 55 -4,-2.1 5,-1.6 3,-0.2 -2,-0.2 0.905 118.4 34.9 -59.6 -46.6 18.3 38.0 14.6 64 97 A A H <5S+ 0 0 0 -4,-2.1 8,-0.4 3,-0.2 4,-0.3 0.977 126.6 34.4 -73.9 -58.5 16.5 35.3 12.5 65 98 A L H <5S+ 0 0 4 -4,-2.9 357,-0.9 -5,-0.1 -3,-0.2 0.699 133.1 22.4 -73.4 -23.9 13.4 34.5 14.6 66 99 A V T ><5S+ 0 0 48 -4,-1.8 3,-1.7 -5,-0.4 4,-0.2 0.802 128.6 33.7-107.3 -66.6 12.8 37.9 16.1 67 100 A R T 3 > - 0 0 21 -2,-2.2 4,-1.3 14,-0.2 126,-0.1 -0.601 39.8-131.1 -90.6 146.4 7.8 17.5 5.9 79 112 A Y H >> S+ 0 0 43 -2,-0.3 4,-0.7 1,-0.2 3,-0.6 0.912 109.3 50.9 -51.6 -49.3 6.5 14.0 5.4 80 113 A T H >4 S+ 0 0 3 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.898 106.8 55.7 -61.2 -39.0 6.1 13.3 9.1 81 114 A S H >4 S+ 0 0 17 1,-0.2 3,-1.6 2,-0.2 -1,-0.3 0.804 96.6 63.8 -63.8 -30.4 4.2 16.5 9.5 82 115 A T H << S+ 0 0 75 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.761 101.5 53.6 -65.4 -20.2 1.6 15.4 6.8 83 116 A L T << S+ 0 0 43 -3,-1.2 2,-0.6 -4,-0.7 -1,-0.3 0.370 81.7 112.8 -94.5 3.7 0.7 12.5 9.2 84 117 A I S X S- 0 0 3 -3,-1.6 3,-3.0 -4,-0.1 5,-0.4 -0.723 92.0 -61.5 -88.5 123.9 0.0 14.7 12.1 85 118 A T T 3 S- 0 0 23 -2,-0.6 143,-0.1 1,-0.3 142,-0.0 -0.165 117.4 -16.9 41.2-114.2 -3.6 14.8 13.2 86 119 A D T 3 S- 0 0 54 190,-0.1 -1,-0.3 142,-0.0 -2,-0.1 0.253 92.8-106.6-102.5 13.9 -5.7 16.2 10.3 87 120 A G S < S+ 0 0 24 -3,-3.0 -2,-0.2 -6,-0.1 -4,-0.1 0.599 107.4 90.5 73.1 11.2 -2.7 17.6 8.5 88 121 A Q + 0 0 84 -4,-0.3 -3,-0.1 5,-0.1 -6,-0.1 0.196 50.6 145.1-125.0 22.5 -4.1 20.9 9.7 89 122 A S > - 0 0 5 -5,-0.4 4,-1.8 1,-0.1 188,-0.1 -0.246 51.9-134.3 -65.4 150.1 -2.4 21.5 13.1 90 123 A L T 4 S+ 0 0 12 2,-0.2 -1,-0.1 186,-0.2 14,-0.1 0.920 107.5 46.6 -63.6 -46.2 -1.5 25.1 14.1 91 124 A T T 4 S+ 0 0 33 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.904 126.1 22.2 -62.2 -52.8 2.0 23.7 15.2 92 125 A F T 4 S+ 0 0 19 -11,-0.1 -14,-0.2 -17,-0.1 -1,-0.2 0.598 91.2 103.6 -96.7 -18.3 2.9 21.6 12.2 93 126 A S S < S- 0 0 11 -4,-1.8 -5,-0.1 1,-0.1 -11,-0.0 -0.332 71.0-124.6 -72.4 156.5 1.0 22.7 9.1 94 127 A T S S+ 0 0 75 -20,-0.1 -19,-0.5 -16,-0.1 2,-0.2 0.660 76.8 107.1 -76.4 -13.7 2.8 24.7 6.5 95 128 A D + 0 0 47 1,-0.1 -2,-0.1 -21,-0.1 0, 0.0 -0.422 29.2 155.7 -66.9 134.3 0.4 27.6 6.5 96 129 A S + 0 0 20 -2,-0.2 -1,-0.1 4,-0.1 -23,-0.1 0.098 41.8 95.7-145.1 24.3 1.9 30.6 8.2 97 130 A G S > S- 0 0 23 4,-0.0 4,-2.3 3,-0.0 5,-0.2 -0.005 99.1 -49.2 -96.6-148.0 0.0 33.5 6.7 98 131 A P H > S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.802 134.5 53.7 -56.9 -31.9 -3.1 35.4 8.0 99 132 A V H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.959 109.8 47.2 -73.0 -46.7 -5.1 32.2 8.7 100 133 A W H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.923 113.0 51.3 -57.9 -40.4 -2.2 30.8 10.9 101 134 A A H X S+ 0 0 44 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.901 111.4 44.9 -66.0 -41.4 -2.0 34.1 12.6 102 135 A A H X S+ 0 0 20 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.857 113.1 50.7 -67.5 -39.2 -5.7 34.4 13.4 103 136 A R H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.885 108.7 53.4 -67.5 -39.3 -5.9 30.7 14.6 104 137 A R H X S+ 0 0 41 -4,-2.4 4,-3.2 -5,-0.3 -2,-0.2 0.928 109.6 47.0 -61.3 -42.7 -2.9 31.3 16.9 105 138 A R H X S+ 0 0 166 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.911 114.0 46.9 -65.8 -44.7 -4.5 34.3 18.5 106 139 A L H X S+ 0 0 21 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.894 114.5 48.1 -65.3 -39.5 -7.8 32.5 19.0 107 140 A A H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.981 114.7 46.2 -62.0 -52.5 -5.8 29.4 20.4 108 141 A Q H X S+ 0 0 50 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.870 114.7 45.7 -56.6 -43.2 -3.8 31.7 22.7 109 142 A N H X S+ 0 0 72 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.931 114.3 46.2 -70.1 -47.7 -6.8 33.7 24.0 110 143 A A H X S+ 0 0 6 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.936 114.2 50.4 -60.7 -44.6 -9.0 30.7 24.6 111 144 A L H < S+ 0 0 6 -4,-3.0 3,-0.3 -5,-0.3 -2,-0.2 0.947 111.6 47.7 -58.3 -46.3 -6.1 29.0 26.3 112 145 A N H ><>S+ 0 0 47 -4,-2.5 3,-1.9 1,-0.2 5,-1.8 0.905 104.8 59.7 -63.5 -43.0 -5.5 32.1 28.5 113 146 A T H 3<5S+ 0 0 66 -4,-2.7 14,-0.3 1,-0.3 -1,-0.2 0.881 113.7 36.8 -50.6 -45.4 -9.1 32.5 29.5 114 147 A F T 3<5S+ 0 0 9 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.015 127.7 29.1 -99.2 26.7 -9.2 29.0 31.1 115 148 A S T < 5S+ 0 0 0 -3,-1.9 13,-3.1 12,-0.1 14,-0.4 0.322 126.2 13.5-138.9 -78.7 -5.7 28.9 32.6 116 149 A I T 5S+ 0 0 37 -5,-0.2 2,-0.3 11,-0.2 -3,-0.1 0.474 101.9 89.6 -89.0 -7.2 -3.9 32.0 33.7 117 150 A A S -I 118 0C 10 -8,-0.3 4,-2.0 -2,-0.3 -8,-0.2 -0.498 40.5-103.1 -87.6 160.1 -6.9 31.6 38.2 127 160 A Y H > S+ 0 0 36 -10,-1.2 4,-2.6 -14,-0.3 5,-0.2 0.900 119.2 57.0 -44.7 -49.7 -8.3 28.4 36.8 128 161 A L H > S+ 0 0 1 -13,-3.1 4,-3.1 -11,-0.2 5,-0.3 0.938 105.5 48.0 -51.7 -54.9 -4.8 26.9 36.5 129 162 A E H > S+ 0 0 22 -14,-0.4 4,-2.7 1,-0.2 5,-0.2 0.920 111.6 51.9 -56.1 -41.6 -4.0 27.3 40.1 130 163 A E H X S+ 0 0 64 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.929 113.9 42.4 -60.9 -46.6 -7.4 25.7 41.1 131 164 A H H X S+ 0 0 57 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.945 116.5 47.3 -65.7 -48.3 -6.9 22.6 38.8 132 165 A V H X S+ 0 0 0 -4,-3.1 4,-3.4 -5,-0.2 5,-0.3 0.914 108.8 53.8 -62.0 -43.6 -3.2 22.1 39.8 133 166 A S H X S+ 0 0 34 -4,-2.7 4,-1.7 -5,-0.3 -1,-0.2 0.925 113.0 44.4 -54.7 -46.1 -3.9 22.5 43.5 134 167 A K H X S+ 0 0 156 -4,-1.7 4,-2.2 -5,-0.2 5,-0.2 0.933 117.8 43.3 -65.6 -46.2 -6.5 19.8 43.3 135 168 A E H X S+ 0 0 14 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.849 110.9 53.6 -72.0 -33.6 -4.4 17.5 41.2 136 169 A A H X S+ 0 0 0 -4,-3.4 4,-2.1 -5,-0.2 -1,-0.2 0.878 111.2 47.7 -66.5 -36.2 -1.2 18.0 43.1 137 170 A K H X S+ 0 0 98 -4,-1.7 4,-2.3 -5,-0.3 5,-0.2 0.982 112.9 46.6 -66.9 -57.1 -3.0 17.0 46.4 138 171 A A H X S+ 0 0 40 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.859 110.1 55.7 -55.8 -31.9 -4.6 14.0 44.9 139 172 A L H X S+ 0 0 7 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.3 0.965 105.7 50.5 -66.2 -43.8 -1.2 13.2 43.4 140 173 A I H X S+ 0 0 7 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.917 111.3 49.2 -56.1 -42.9 0.3 13.3 47.0 141 174 A S H X S+ 0 0 61 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.874 110.3 50.0 -63.5 -40.6 -2.5 10.9 48.2 142 175 A R H X S+ 0 0 48 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.902 111.5 49.4 -66.5 -39.0 -1.8 8.6 45.3 143 176 A L H X S+ 0 0 5 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.870 110.2 48.5 -70.1 -37.4 1.9 8.6 46.1 144 177 A Q H X S+ 0 0 69 -4,-2.3 4,-3.0 2,-0.2 3,-0.3 0.945 110.3 54.1 -66.1 -45.0 1.4 7.9 49.8 145 178 A E H X S+ 0 0 130 -4,-2.3 4,-0.5 1,-0.3 -2,-0.2 0.923 109.4 47.1 -51.5 -49.7 -0.9 5.0 48.8 146 179 A L H <>S+ 0 0 45 -4,-2.2 5,-2.6 1,-0.2 6,-0.7 0.812 111.9 50.1 -66.0 -29.7 1.7 3.5 46.6 147 180 A M H <5S+ 0 0 46 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.858 105.2 56.4 -76.6 -35.4 4.3 3.8 49.3 148 181 A A H <5S+ 0 0 96 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.613 123.5 25.4 -69.9 -6.7 2.0 2.2 51.9 149 182 A G T <5S+ 0 0 52 -4,-0.5 -3,-0.1 -3,-0.4 -2,-0.1 0.535 135.9 8.4-120.7 -97.5 1.9 -0.8 49.4 150 183 A P T 5S- 0 0 88 0, 0.0 -3,-0.2 0, 0.0 -4,-0.1 0.825 91.0-134.9 -61.1 -25.7 4.4 -1.8 46.8 151 184 A G S - 0 0 21 -2,-0.3 4,-1.6 319,-0.2 5,-0.2 -0.953 27.7-154.6-107.6 111.8 7.5 5.3 38.5 155 188 A P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.876 90.7 56.0 -56.9 -41.2 7.4 9.1 38.7 156 189 A Y H > S+ 0 0 12 315,-0.2 4,-2.5 1,-0.2 5,-0.1 0.916 107.8 49.4 -56.3 -46.3 6.7 9.6 34.9 157 190 A N H > S+ 0 0 29 1,-0.2 4,-1.2 -3,-0.2 -1,-0.2 0.868 112.5 44.8 -66.5 -35.2 3.6 7.4 35.1 158 191 A Q H X S+ 0 0 34 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.830 113.1 52.0 -76.9 -33.0 2.1 9.2 38.1 159 192 A V H X S+ 0 0 3 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.906 102.3 60.3 -70.0 -37.3 2.9 12.6 36.6 160 193 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.941 104.7 50.0 -52.7 -49.2 1.2 11.7 33.3 161 194 A V H X S+ 0 0 30 -4,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.888 113.2 43.4 -60.0 -45.9 -2.0 11.1 35.1 162 195 A S H X S+ 0 0 1 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.919 116.2 46.3 -68.4 -43.7 -2.0 14.4 37.0 163 196 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.887 111.0 52.2 -66.4 -40.0 -0.9 16.5 34.1 164 197 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.906 108.1 53.3 -63.5 -38.5 -3.4 14.9 31.8 165 198 A N H X S+ 0 0 13 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 0.884 110.3 47.1 -63.8 -37.4 -6.1 15.7 34.3 166 199 A V H X S+ 0 0 2 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.945 117.3 38.6 -69.4 -50.9 -5.2 19.4 34.4 167 200 A I H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.857 113.8 57.1 -74.2 -29.6 -5.0 20.1 30.7 168 201 A G H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.3 5,-0.2 0.847 106.6 49.0 -68.0 -31.8 -8.0 17.8 30.0 169 202 A A H X S+ 0 0 19 -4,-1.3 4,-3.3 -5,-0.2 -2,-0.2 0.955 111.2 49.2 -69.2 -47.4 -10.2 19.9 32.3 170 203 A M H < S+ 0 0 3 -4,-1.8 80,-3.1 1,-0.2 -2,-0.2 0.870 120.8 36.9 -57.2 -41.7 -9.1 23.1 30.7 171 204 A C H < S+ 0 0 0 -4,-2.2 80,-2.3 78,-0.2 81,-0.2 0.913 139.0 9.2 -77.8 -46.9 -9.7 21.7 27.3 172 205 A F H >< S- 0 0 0 -4,-2.9 3,-1.7 1,-0.3 4,-0.3 0.263 80.0-158.1-122.1 7.1 -12.9 19.6 27.8 173 206 A G G >< S- 0 0 26 -4,-3.3 3,-1.3 1,-0.3 -1,-0.3 -0.189 76.1 -8.3 50.0-131.8 -14.1 20.4 31.4 174 207 A Q G 3 S+ 0 0 189 1,-0.3 -1,-0.3 3,-0.1 -5,-0.1 0.725 127.4 71.6 -69.0 -25.3 -16.3 17.6 32.7 175 208 A H G < S+ 0 0 34 -3,-1.7 -1,-0.3 -6,-0.1 -2,-0.2 0.637 70.8 108.1 -68.7 -10.4 -16.4 15.8 29.4 176 209 A F S < S- 0 0 10 -3,-1.3 2,-1.4 -4,-0.3 3,-0.2 -0.550 70.7-139.2 -69.7 122.2 -12.7 14.8 29.9 177 210 A P > + 0 0 36 0, 0.0 3,-1.1 0, 0.0 6,-0.2 -0.638 26.4 175.7 -84.0 85.6 -12.8 11.0 30.6 178 211 A E T 3 S+ 0 0 102 -2,-1.4 -13,-0.1 1,-0.3 6,-0.1 0.855 83.6 48.6 -56.0 -35.7 -10.1 10.8 33.4 179 212 A S T 3 S+ 0 0 109 -3,-0.2 -1,-0.3 4,-0.0 2,-0.1 0.599 82.0 120.8 -78.5 -18.4 -11.0 7.0 33.6 180 213 A S <> - 0 0 28 -3,-1.1 4,-2.1 1,-0.2 5,-0.2 -0.287 48.2-162.4 -54.2 121.5 -10.8 6.4 29.9 181 214 A D H > S+ 0 0 125 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.741 91.4 63.4 -76.4 -20.1 -8.2 3.7 29.1 182 215 A E H > S+ 0 0 57 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.926 109.3 38.5 -65.6 -46.8 -8.2 4.9 25.5 183 216 A M H > S+ 0 0 0 -6,-0.2 4,-3.4 2,-0.2 5,-0.2 0.912 116.7 50.3 -74.4 -36.9 -6.9 8.4 26.7 184 217 A L H X S+ 0 0 30 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.890 108.4 53.0 -65.5 -39.5 -4.6 6.9 29.3 185 218 A S H < S+ 0 0 60 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.865 113.9 45.7 -64.0 -34.0 -3.1 4.5 26.7 186 219 A L H >< S+ 0 0 8 -4,-1.3 3,-1.5 2,-0.2 -2,-0.2 0.946 112.5 45.8 -71.5 -53.9 -2.6 7.6 24.6 187 220 A V H >< S+ 0 0 3 -4,-3.4 3,-0.6 1,-0.3 -2,-0.2 0.799 110.2 55.7 -67.7 -19.4 -1.0 10.0 27.1 188 221 A K T 3< S+ 0 0 65 -4,-1.9 -1,-0.3 -5,-0.2 3,-0.2 0.632 111.2 46.7 -83.3 -11.0 1.3 7.3 28.4 189 222 A N T X + 0 0 50 -3,-1.5 3,-2.3 -4,-0.2 4,-0.3 0.074 61.8 121.7-121.3 28.9 2.6 6.8 24.9 190 223 A T T X> + 0 0 11 -3,-0.6 4,-2.4 1,-0.3 3,-1.1 0.632 62.2 82.7 -67.5 -10.9 3.4 10.1 23.4 191 224 A H H 3> S+ 0 0 55 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.804 84.8 61.7 -61.5 -21.9 7.0 8.9 23.0 192 225 A E H <4 S+ 0 0 41 -3,-2.3 4,-0.3 2,-0.2 -1,-0.3 0.799 109.8 39.0 -71.8 -25.8 5.5 7.3 19.8 193 226 A F H X> S+ 0 0 34 -3,-1.1 4,-2.6 -4,-0.3 3,-0.7 0.932 118.4 46.3 -80.1 -56.3 4.7 10.8 18.6 194 227 A V H 3< S+ 0 0 4 -4,-2.4 270,-2.5 1,-0.3 -3,-0.2 0.774 105.4 57.3 -59.8 -36.7 7.8 12.7 19.8 195 228 A E T 3< S+ 0 0 71 -4,-1.9 3,-0.3 -5,-0.2 -1,-0.3 0.863 115.9 36.7 -68.6 -33.2 10.4 10.2 18.7 196 229 A T T <4 S+ 0 0 6 -3,-0.7 2,-1.4 -4,-0.3 -2,-0.2 0.887 109.3 59.5 -90.6 -32.8 9.2 10.5 15.1 197 230 A A S < S+ 0 0 7 -4,-2.6 2,-0.3 -117,-0.1 -1,-0.2 -0.333 84.2 117.3 -91.8 58.3 8.3 14.2 14.8 198 231 A S S > S- 0 0 10 -2,-1.4 3,-1.1 -3,-0.3 266,-0.1 -0.819 73.1 -80.7-122.3 163.0 11.8 15.4 15.7 199 232 A S T 3 S+ 0 0 7 -2,-0.3 -170,-0.1 1,-0.2 -1,-0.1 -0.285 109.2 13.2 -66.3 142.6 14.4 17.4 13.7 200 233 A G T 3 S+ 0 0 8 1,-0.2 -1,-0.2 -172,-0.1 5,-0.1 0.655 76.0 167.7 68.2 22.1 16.5 15.7 11.2 201 234 A N X - 0 0 24 -3,-1.1 3,-2.2 1,-0.2 -1,-0.2 -0.539 38.0-135.8 -69.3 124.3 14.5 12.4 11.1 202 235 A P G >> S+ 0 0 51 0, 0.0 3,-2.0 0, 0.0 4,-1.2 0.784 100.0 72.1 -51.3 -29.1 15.8 10.5 8.0 203 236 A L G 34 S+ 0 0 4 1,-0.3 7,-0.2 2,-0.2 3,-0.2 0.844 94.8 53.8 -56.9 -29.9 12.2 9.8 7.0 204 237 A D G <4 S+ 0 0 13 -3,-2.2 -1,-0.3 1,-0.2 -125,-0.2 0.433 114.8 37.4 -86.5 4.5 11.8 13.4 6.1 205 238 A F T <4 S+ 0 0 15 -3,-2.0 -156,-0.5 1,-0.2 -155,-0.2 0.481 110.5 50.1-132.5 -6.1 14.7 13.5 3.7 206 239 A F >< - 0 0 41 -4,-1.2 3,-1.5 -3,-0.2 4,-0.5 -0.836 63.1-162.0-135.0 93.7 15.0 10.2 1.8 207 240 A P G > S+ 0 0 74 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.774 85.1 70.1 -50.0 -27.1 11.6 9.4 0.3 208 241 A I G >> S+ 0 0 113 1,-0.3 3,-2.3 2,-0.2 4,-0.6 0.896 85.6 67.3 -57.5 -42.8 12.7 5.8 -0.1 209 242 A L G X4 S+ 0 0 53 -3,-1.5 3,-1.0 1,-0.3 -1,-0.3 0.800 89.2 64.1 -50.8 -33.8 12.7 5.2 3.6 210 243 A R G <4 S+ 0 0 69 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.640 97.4 55.9 -71.1 -9.2 8.9 5.5 3.8 211 244 A Y G <4 S+ 0 0 185 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.593 90.3 90.1 -92.5 -16.2 8.3 2.4 1.6 212 245 A L S << S- 0 0 100 -3,-1.0 0, 0.0 -4,-0.6 0, 0.0 -0.556 97.3 -95.1 -82.5 142.4 10.3 0.2 3.8 213 246 A P + 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.406 53.8 176.1 -54.6 133.1 8.6 -1.6 6.7 214 247 A N > - 0 0 43 1,-0.1 4,-2.2 -4,-0.1 5,-0.2 -0.853 23.7-168.8-146.7 102.2 9.2 0.7 9.6 215 248 A P H > S+ 0 0 91 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.907 91.0 54.3 -61.5 -44.3 7.7 -0.0 13.1 216 249 A A H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.959 112.2 46.2 -53.1 -51.5 8.6 3.5 14.5 217 250 A L H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.902 111.5 49.8 -59.0 -42.7 6.7 5.0 11.6 218 251 A Q H X S+ 0 0 110 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.887 111.5 49.5 -64.0 -37.9 3.7 2.6 11.9 219 252 A R H X S+ 0 0 99 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.862 110.1 51.4 -65.4 -36.8 3.6 3.5 15.6 220 253 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.945 112.2 46.1 -65.5 -47.5 3.7 7.2 14.7 221 254 A K H X S+ 0 0 51 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.910 115.2 45.8 -60.4 -42.2 0.8 6.8 12.2 222 255 A A H X S+ 0 0 32 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.893 111.3 52.5 -71.7 -38.3 -1.3 4.7 14.7 223 256 A F H X S+ 0 0 9 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.950 110.9 47.2 -62.0 -45.0 -0.7 7.1 17.5 224 257 A N H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.887 112.5 48.6 -64.5 -41.0 -1.8 10.0 15.4 225 258 A Q H X S+ 0 0 140 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.941 115.1 45.0 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