==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-MAR-12 4AOS . COMPND 2 MOLECULE: STEROID MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS RHODOCHROUS; . AUTHOR S.FRANCESCHINI,H.L.VAN BEEK,C.MARTINOLI,M.W.FRAAIJE,A.MATTEV . 523 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 8.0 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 . 3 0.6 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 . 45 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 3 0 2 0 0 1 1 0 1 2 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 3 2 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 PARALLEL BRIDGES PER LADDER . 7 0 1 3 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 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 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 20 A T 0 0 136 0, 0.0 127,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 23.3 -7.8 35.6 -11.2 2 21 A S E +a 128 0A 73 125,-0.2 2,-0.3 116,-0.0 127,-0.2 -0.997 360.0 171.4-128.6 141.3 -10.9 33.6 -11.9 3 22 A Y E -a 129 0A 44 125,-2.8 127,-1.2 -2,-0.4 128,-0.1 -0.892 42.3-118.7-136.8 165.2 -11.6 31.3 -14.9 4 23 A D E S+ 0 0 35 23,-0.8 127,-2.6 -2,-0.3 2,-0.4 0.899 100.7 18.6 -69.0 -44.3 -14.2 28.7 -16.1 5 24 A V E -ab 131 28A 0 22,-2.0 24,-2.0 125,-0.2 2,-0.5 -0.993 59.2-160.8-133.6 134.0 -11.6 25.9 -16.1 6 25 A V E -ab 132 29A 0 125,-2.3 127,-3.0 -2,-0.4 2,-0.5 -0.988 18.3-160.5-107.8 124.2 -8.2 25.4 -14.5 7 26 A V E -ab 133 30A 0 22,-2.4 24,-1.9 -2,-0.5 2,-0.7 -0.902 7.1-149.3-104.1 128.8 -6.2 22.6 -16.3 8 27 A V E +ab 134 31A 16 125,-2.5 127,-2.4 -2,-0.5 24,-0.2 -0.893 66.3 22.3 -98.4 112.3 -3.3 20.9 -14.6 9 28 A G - 0 0 7 22,-2.8 23,-0.2 -2,-0.7 127,-0.1 0.089 56.6-138.7 109.3 140.0 -0.7 19.8 -17.1 10 29 A A + 0 0 0 26,-0.2 28,-2.6 4,-0.1 29,-0.3 -0.265 64.3 107.1-126.2 43.9 0.3 20.7 -20.7 11 30 A G S > S- 0 0 11 124,-0.4 4,-2.5 27,-0.3 5,-0.3 -0.205 96.4 -54.2 -94.5-161.5 1.0 17.3 -22.3 12 31 A I H > S+ 0 0 18 26,-0.4 4,-1.4 1,-0.2 5,-0.1 0.855 138.8 42.5 -41.8 -47.9 -1.2 15.6 -24.9 13 32 A A H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 114.5 46.0 -73.8 -46.5 -4.3 15.9 -22.7 14 33 A G H > S+ 0 0 0 121,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.862 110.5 54.9 -66.1 -37.1 -4.0 19.4 -21.3 15 34 A L H X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.921 111.9 42.5 -63.4 -44.1 -3.2 20.8 -24.7 16 35 A Y H X S+ 0 0 12 -4,-1.4 4,-3.1 -5,-0.3 5,-0.2 0.893 110.9 57.7 -69.6 -38.8 -6.3 19.4 -26.2 17 36 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.925 105.5 49.6 -53.4 -50.2 -8.3 20.5 -23.1 18 37 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.948 114.7 45.1 -55.4 -50.9 -7.2 24.1 -23.6 19 38 A H H X S+ 0 0 38 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.923 115.4 45.3 -59.5 -50.4 -8.3 24.0 -27.3 20 39 A R H X S+ 0 0 55 -4,-3.1 4,-0.8 2,-0.2 -1,-0.2 0.909 115.4 45.1 -63.8 -46.0 -11.6 22.2 -26.7 21 40 A F H ><>S+ 0 0 0 -4,-2.6 5,-2.0 -5,-0.2 3,-0.9 0.920 113.3 49.7 -67.7 -44.0 -12.7 24.4 -23.8 22 41 A R H ><5S+ 0 0 71 -4,-2.3 3,-2.1 -5,-0.3 -1,-0.2 0.877 103.3 61.1 -59.7 -40.8 -11.7 27.7 -25.4 23 42 A S H 3<5S+ 0 0 80 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.751 104.2 50.6 -59.3 -25.5 -13.6 26.7 -28.6 24 43 A Q T <<5S- 0 0 56 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.309 127.5 -97.0 -99.2 9.2 -16.8 26.5 -26.6 25 44 A G T < 5S+ 0 0 61 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.516 77.8 138.2 91.5 7.5 -16.3 30.0 -25.0 26 45 A L < - 0 0 9 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.3 -0.653 51.9-128.8 -86.0 139.1 -14.7 28.9 -21.7 27 46 A T - 0 0 73 -2,-0.3 -22,-2.0 2,-0.0 -23,-0.8 -0.715 31.4-162.5 -83.3 140.1 -11.8 30.9 -20.2 28 47 A V E -b 5 0A 3 -2,-0.3 2,-0.5 -24,-0.2 -22,-0.2 -0.980 21.6-171.7-132.9 134.3 -8.9 28.6 -19.4 29 48 A R E -b 6 0A 30 -24,-2.0 -22,-2.4 -2,-0.4 2,-0.3 -0.997 15.3-169.9-120.2 123.3 -5.8 28.8 -17.2 30 49 A A E -bc 7 99A 0 68,-3.0 70,-1.9 -2,-0.5 2,-0.4 -0.830 6.2-156.6-107.4 153.0 -3.4 25.9 -17.5 31 50 A F E -bc 8 100A 2 -24,-1.9 -22,-2.8 -2,-0.3 2,-0.4 -1.000 8.0-172.3-130.2 131.5 -0.4 25.2 -15.2 32 51 A E - 0 0 19 68,-2.7 71,-2.9 -2,-0.4 70,-0.1 -0.987 20.7-154.8-127.9 130.9 2.7 23.2 -16.2 33 52 A A S S+ 0 0 41 -2,-0.4 71,-0.2 69,-0.3 -1,-0.1 0.874 79.6 72.1 -66.4 -39.4 5.6 22.1 -13.9 34 53 A A S S- 0 0 17 2,-0.2 68,-2.5 68,-0.1 69,-0.3 -0.152 92.3-113.2 -75.3 170.9 8.0 21.8 -16.9 35 54 A S S S+ 0 0 66 66,-0.2 2,-0.3 67,-0.1 66,-0.1 0.585 93.8 15.6 -84.4 -13.6 9.4 24.7 -18.9 36 55 A G S S- 0 0 14 3,-0.1 3,-0.4 1,-0.0 -2,-0.2 -0.911 89.5 -77.6-147.7 177.5 7.6 23.8 -22.1 37 56 A V S S+ 0 0 1 -2,-0.3 -26,-0.2 1,-0.2 50,-0.1 -0.259 83.9 77.5 -71.6 160.7 4.7 21.8 -23.5 38 57 A G > - 0 0 1 -28,-2.6 3,-1.9 48,-0.1 -26,-0.4 0.122 64.1-150.6 131.1 -20.9 4.8 18.1 -24.1 39 58 A G T >> S+ 0 0 11 -3,-0.4 4,-2.0 -29,-0.3 3,-1.6 -0.354 83.9 4.6 60.7-129.3 4.4 16.3 -20.8 40 59 A V H 3> S+ 0 0 42 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.827 135.3 56.9 -54.0 -31.0 6.2 13.0 -20.7 41 60 A W H <4 S+ 0 0 25 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.697 106.8 49.5 -79.4 -17.8 7.5 13.9 -24.2 42 61 A Y H <4 S+ 0 0 38 -3,-1.6 -2,-0.2 -6,-0.1 -1,-0.2 0.921 124.0 24.4 -78.7 -50.3 9.0 17.0 -22.9 43 62 A W H < S+ 0 0 62 -4,-2.0 2,-1.3 1,-0.2 120,-0.5 0.750 106.4 72.0 -95.7 -22.9 10.9 15.6 -19.9 44 63 A N < + 0 0 13 -4,-2.3 -1,-0.2 -5,-0.3 117,-0.1 -0.678 59.4 141.8 -93.7 82.3 11.5 12.0 -20.7 45 64 A R + 0 0 45 -2,-1.3 -1,-0.1 115,-0.3 116,-0.1 -0.043 11.7 139.4-123.1 29.9 14.2 12.6 -23.3 46 65 A Y > - 0 0 6 114,-0.5 3,-1.7 1,-0.1 33,-0.2 -0.311 69.5 -78.1 -63.7 158.7 16.9 9.9 -22.9 47 66 A P T 3 S+ 0 0 32 0, 0.0 143,-0.2 0, 0.0 144,-0.1 -0.419 118.1 22.0 -66.9 131.0 18.2 8.4 -26.2 48 67 A G T 3 S+ 0 0 13 1,-0.3 139,-0.1 -2,-0.1 -2,-0.1 0.335 76.4 155.4 97.8 -6.2 15.8 5.9 -27.8 49 68 A A < + 0 0 2 -3,-1.7 30,-2.0 29,-0.1 -1,-0.3 -0.357 20.6 159.6 -54.7 130.5 12.6 7.1 -26.0 50 69 A R B -I 78 0B 47 28,-0.3 28,-0.2 276,-0.1 276,-0.2 -0.989 39.1-101.6-160.5 144.4 9.9 6.0 -28.4 51 70 A C - 0 0 6 26,-2.0 4,-0.1 -2,-0.3 3,-0.0 -0.188 16.3-141.7 -72.7 167.2 6.1 5.3 -28.4 52 71 A D S S+ 0 0 41 2,-0.1 220,-0.8 219,-0.1 2,-0.4 0.602 81.4 60.7-101.9 -25.8 4.5 1.9 -28.3 53 72 A V S S- 0 0 26 218,-0.1 5,-0.1 219,-0.1 -2,-0.1 -0.886 102.4 -84.9-113.1 140.9 1.5 2.5 -30.6 54 73 A E >> - 0 0 30 -2,-0.4 4,-3.2 1,-0.1 3,-1.5 -0.152 37.5-126.6 -46.6 132.1 1.8 3.4 -34.3 55 74 A S T 34 S+ 0 0 1 20,-2.7 -1,-0.1 1,-0.3 21,-0.1 0.772 107.3 62.2 -56.8 -34.0 2.2 7.2 -34.7 56 75 A I T 34 S+ 0 0 14 19,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.811 117.0 32.4 -60.9 -31.1 -0.7 7.5 -37.1 57 76 A D T <4 S+ 0 0 0 -3,-1.5 2,-2.4 1,-0.2 -2,-0.2 0.874 111.3 63.9 -87.1 -47.6 -2.9 6.2 -34.3 58 77 A Y S < S+ 0 0 35 -4,-3.2 2,-0.3 -5,-0.1 -1,-0.2 -0.436 95.4 78.2 -79.2 67.5 -1.0 7.7 -31.4 59 78 A S S S- 0 0 2 -2,-2.4 375,-0.1 -3,-0.2 8,-0.0 -0.954 91.0 -71.5-167.4 159.2 -1.7 11.3 -32.6 60 79 A Y - 0 0 2 -2,-0.3 374,-0.1 1,-0.1 373,-0.0 -0.236 29.7-177.3 -64.2 147.0 -4.6 13.7 -32.5 61 80 A S + 0 0 13 372,-0.1 -1,-0.1 5,-0.0 6,-0.1 0.443 64.6 90.5-115.4 -7.9 -7.8 13.2 -34.6 62 81 A F S S+ 0 0 44 1,-0.2 -1,-0.0 2,-0.1 -2,-0.0 0.771 85.4 55.5 -62.9 -25.6 -9.7 16.4 -33.6 63 82 A S > - 0 0 6 1,-0.1 4,-2.0 2,-0.0 -1,-0.2 -0.907 59.1-170.1-115.0 106.1 -8.1 18.4 -36.5 64 83 A P H > S+ 0 0 79 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.880 92.2 55.6 -54.5 -39.5 -8.5 17.1 -40.1 65 84 A E H > S+ 0 0 109 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.952 106.9 47.6 -57.8 -53.0 -5.9 19.7 -41.3 66 85 A L H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.875 109.9 53.7 -58.9 -40.7 -3.2 18.5 -38.8 67 86 A E H < S+ 0 0 22 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.909 116.7 37.5 -60.7 -43.5 -3.8 14.9 -39.8 68 87 A Q H < S+ 0 0 99 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.898 121.2 46.0 -72.7 -40.8 -3.3 15.7 -43.5 69 88 A E H < S+ 0 0 86 -4,-3.3 2,-0.2 -5,-0.2 -3,-0.2 0.903 95.7 78.7 -73.2 -46.8 -0.5 18.3 -42.9 70 89 A W < - 0 0 46 -4,-2.7 2,-0.6 -5,-0.2 15,-0.0 -0.489 62.9-157.8 -74.2 130.9 1.7 16.4 -40.4 71 90 A N - 0 0 88 -2,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.927 6.6-148.6-110.6 111.5 4.1 13.8 -41.7 72 91 A W - 0 0 16 -2,-0.6 144,-0.1 1,-0.1 149,-0.0 -0.620 7.5-148.8 -71.3 130.5 5.4 11.1 -39.3 73 92 A S S S+ 0 0 54 -2,-0.3 143,-0.8 142,-0.1 2,-0.3 0.703 73.5 8.5 -76.0 -20.8 8.9 10.1 -40.4 74 93 A E B S-J 215 0C 35 141,-0.3 3,-0.3 1,-0.1 -19,-0.2 -0.930 81.1 -95.3-153.1 174.1 8.5 6.5 -39.1 75 94 A K S S+ 0 0 44 139,-1.3 -20,-2.7 -2,-0.3 2,-0.5 0.883 116.8 29.0 -64.6 -44.6 6.1 3.9 -37.7 76 95 A Y S S- 0 0 2 -22,-0.2 -1,-0.3 138,-0.1 -22,-0.1 -0.924 89.4-139.7-119.8 104.5 6.9 4.6 -34.1 77 96 A A - 0 0 0 -2,-0.5 -26,-2.0 -3,-0.3 2,-0.1 -0.329 10.5-130.3 -63.6 139.8 8.1 8.2 -33.5 78 97 A T B >> -I 50 0B 33 -28,-0.2 4,-2.1 1,-0.1 3,-0.5 -0.401 35.3 -97.9 -75.3 163.4 10.9 8.9 -31.1 79 98 A Q H 3> S+ 0 0 12 -30,-2.0 4,-3.5 1,-0.2 5,-0.2 0.832 120.2 59.3 -60.3 -35.1 10.4 11.6 -28.5 80 99 A P H 3> S+ 0 0 78 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.920 110.9 43.7 -60.1 -36.9 12.1 14.5 -30.3 81 100 A E H <> S+ 0 0 29 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.913 115.1 47.1 -72.1 -41.6 9.6 14.0 -33.2 82 101 A I H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.930 113.4 50.1 -64.9 -42.4 6.6 13.6 -30.8 83 102 A L H X S+ 0 0 13 -4,-3.5 4,-2.8 2,-0.2 5,-0.3 0.957 109.5 50.4 -57.2 -52.4 7.8 16.7 -28.9 84 103 A A H X S+ 0 0 39 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.907 110.4 51.7 -49.1 -47.9 8.1 18.6 -32.2 85 104 A Y H X S+ 0 0 10 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.932 111.0 45.7 -55.3 -50.9 4.5 17.5 -33.1 86 105 A L H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.862 112.2 51.4 -67.3 -36.1 3.1 18.7 -29.8 87 106 A E H X S+ 0 0 73 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.872 110.2 49.9 -64.2 -38.3 5.0 22.1 -30.0 88 107 A H H X S+ 0 0 45 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.887 109.1 52.1 -65.8 -40.5 3.6 22.5 -33.5 89 108 A V H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.914 108.9 49.1 -59.6 -46.9 0.1 21.8 -32.2 90 109 A A H <>S+ 0 0 2 -4,-2.2 5,-1.8 1,-0.2 6,-0.6 0.789 112.8 49.6 -65.1 -28.9 0.5 24.4 -29.5 91 110 A D H ><5S+ 0 0 93 -4,-1.4 3,-0.9 3,-0.2 -2,-0.2 0.933 110.3 49.1 -68.2 -49.9 1.7 26.9 -32.2 92 111 A R H 3<5S+ 0 0 103 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.834 120.6 34.6 -64.6 -36.2 -1.2 26.2 -34.5 93 112 A F T 3<5S- 0 0 32 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.275 103.9-123.8-107.3 10.3 -3.9 26.6 -31.8 94 113 A D T < 5 + 0 0 89 -3,-0.9 -3,-0.2 -4,-0.3 3,-0.2 0.879 56.6 150.3 50.6 51.5 -2.2 29.4 -29.8 95 114 A L > < + 0 0 1 -5,-1.8 3,-1.5 1,-0.2 4,-0.2 0.765 48.6 75.2 -83.6 -29.4 -2.2 27.4 -26.6 96 115 A R G > S+ 0 0 76 -6,-0.6 3,-1.9 1,-0.3 -1,-0.2 0.809 82.3 67.0 -61.8 -34.5 0.9 28.7 -24.8 97 116 A R G 3 S+ 0 0 167 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.736 103.0 47.3 -59.8 -24.6 -0.6 32.1 -23.8 98 117 A D G < S+ 0 0 34 -3,-1.5 -68,-3.0 -4,-0.2 2,-0.4 0.409 99.7 85.6 -96.7 1.8 -3.0 30.4 -21.4 99 118 A I E < -c 30 0A 4 -3,-1.9 2,-0.6 -4,-0.2 -68,-0.2 -0.857 61.8-156.2-104.7 134.4 -0.3 28.2 -19.8 100 119 A R E -c 31 0A 90 -70,-1.9 -68,-2.7 -2,-0.4 3,-0.3 -0.975 22.5-157.0-104.2 120.5 2.0 29.2 -17.0 101 120 A F + 0 0 46 -2,-0.6 -66,-0.2 1,-0.2 -68,-0.2 -0.400 68.7 33.9 -93.0 171.4 5.1 27.1 -17.1 102 121 A D S S+ 0 0 76 -68,-2.5 2,-0.4 1,-0.2 -69,-0.3 0.854 93.7 123.8 50.7 37.8 7.6 26.2 -14.4 103 122 A T - 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0 0 72 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.348 31.6-113.4 -73.6 160.3 -3.9 -25.4 -35.0 256 275 A E H > S+ 0 0 64 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.851 117.1 50.7 -62.9 -37.7 -0.2 -25.3 -34.0 257 276 A E H > S+ 0 0 80 2,-0.2 4,-1.5 1,-0.2 3,-0.2 0.952 112.5 44.6 -63.8 -52.3 0.8 -24.1 -37.5 258 277 A E H > S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.802 108.3 59.9 -63.0 -31.5 -1.8 -21.3 -37.7 259 278 A R H X S+ 0 0 59 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.910 105.8 46.9 -62.8 -44.4 -0.9 -20.3 -34.1 260 279 A R H X S+ 0 0 67 -4,-1.6 4,-2.3 -3,-0.2 -1,-0.2 0.844 110.3 54.9 -63.9 -34.9 2.7 -19.6 -35.2 261 280 A A H X S+ 0 0 55 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.848 109.3 44.8 -69.3 -38.5 1.4 -17.7 -38.2 262 281 A V H X S+ 0 0 21 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.895 116.5 46.9 -71.0 -41.5 -0.7 -15.3 -36.2 263 282 A Y H X S+ 0 0 3 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.863 111.0 51.9 -66.1 -38.0 2.1 -14.8 -33.7 264 283 A E H X S+ 0 0 79 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.859 109.4 50.6 -66.6 -37.6 4.6 -14.3 -36.5 265 284 A E H X S+ 0 0 145 -4,-1.5 4,-1.7 1,-0.2 3,-0.5 0.940 111.0 46.7 -65.2 -49.6 2.4 -11.6 -38.0 266 285 A R H X S+ 0 0 27 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.721 105.6 60.7 -70.3 -22.9 2.0 -9.6 -34.8 267 286 A W H < S+ 0 0 28 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.866 105.1 49.3 -66.4 -39.4 5.7 -9.8 -34.1 268 287 A K H < S+ 0 0 83 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.921 114.5 41.9 -67.3 -49.0 6.3 -7.9 -37.4 269 288 A L H < S+ 0 0 41 -4,-1.7 -2,-0.2 2,-0.0 -1,-0.2 0.966 106.8 178.9 -59.9 -51.8 3.8 -5.2 -36.6 270 289 A G >< + 0 0 0 -4,-2.7 3,-0.6 -5,-0.2 2,-0.2 0.133 22.6 68.7 81.1 168.9 5.3 -5.4 -33.1 271 290 A G G > S- 0 0 0 -61,-0.6 3,-1.0 1,-0.2 4,-0.3 -0.572 103.8 -13.3 94.7-146.5 4.7 -3.6 -29.8 272 291 A V G > S+ 0 0 17 -220,-0.8 3,-1.6 1,-0.2 4,-0.5 0.773 122.1 73.0 -63.5 -31.8 1.8 -3.7 -27.4 273 292 A L G X S+ 0 0 21 -3,-0.6 3,-0.8 -221,-0.3 -1,-0.2 0.718 82.0 69.2 -63.0 -23.8 -0.4 -5.4 -30.1 274 293 A F G X S+ 0 0 0 -3,-1.0 3,-1.2 1,-0.2 -1,-0.3 0.824 92.2 61.2 -61.5 -32.7 1.5 -8.7 -29.6 275 294 A S G < S+ 0 0 9 -3,-1.6 -1,-0.2 -4,-0.3 3,-0.2 0.773 108.1 42.3 -62.0 -31.8 -0.1 -8.9 -26.2 276 295 A K G < S+ 0 0 63 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 -0.086 75.1 121.3-109.6 31.9 -3.6 -9.0 -27.7 277 296 A A S < S+ 0 0 2 -3,-1.2 -30,-2.0 -31,-0.2 -1,-0.2 0.898 80.1 30.6 -63.7 -44.0 -2.8 -11.4 -30.6 278 297 A F S > S- 0 0 1 -3,-0.2 3,-1.8 -32,-0.2 4,-0.3 -0.892 88.0-118.9-113.9 150.9 -5.5 -14.0 -29.5 279 298 A P T 3 S+ 0 0 63 0, 0.0 3,-0.3 0, 0.0 -29,-0.1 0.809 113.5 39.2 -60.5 -33.2 -8.7 -13.1 -27.7 280 299 A D T >> S+ 0 0 23 1,-0.2 4,-3.1 2,-0.1 3,-0.9 0.180 81.6 109.7-101.2 15.9 -7.8 -15.1 -24.6 281 300 A Q T <4 S+ 0 0 0 -3,-1.8 -1,-0.2 1,-0.3 10,-0.1 0.816 92.2 30.4 -62.0 -34.6 -4.1 -14.3 -24.5 282 301 A L T 34 S+ 0 0 28 -3,-0.3 198,-2.5 -4,-0.3 199,-0.4 0.258 124.8 51.2-105.4 7.2 -4.5 -12.1 -21.3 283 302 A T T <4 S+ 0 0 76 -3,-0.9 -2,-0.2 1,-0.2 -3,-0.1 0.808 103.4 49.6-105.8 -52.4 -7.4 -14.2 -20.1 284 303 A D X - 0 0 59 -4,-3.1 4,-2.0 1,-0.1 -1,-0.2 -0.826 64.7-148.9-104.2 125.4 -6.3 -17.9 -20.1 285 304 A P H > S+ 0 0 76 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.839 100.2 51.3 -56.9 -38.9 -2.9 -19.0 -18.6 286 305 A A H > S+ 0 0 40 2,-0.2 4,-1.1 1,-0.2 -5,-0.1 0.847 110.5 47.6 -68.4 -38.4 -2.5 -21.8 -21.1 287 306 A A H > S+ 0 0 0 -7,-0.2 4,-0.8 -3,-0.2 -1,-0.2 0.825 111.9 52.2 -68.8 -34.5 -3.1 -19.5 -24.1 288 307 A N H >X S+ 0 0 4 -4,-2.0 4,-1.9 -8,-0.2 3,-0.9 0.904 102.3 59.0 -64.9 -44.6 -0.6 -17.1 -22.5 289 308 A D H 3X S+ 0 0 82 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.846 99.4 57.8 -51.7 -39.8 1.9 -19.9 -22.2 290 309 A T H 3X S+ 0 0 29 -4,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.817 107.7 46.7 -65.7 -32.3 1.8 -20.4 -26.0 291 310 A A H S- 0 0 82 1,-0.1 4,-2.2 29,-0.1 3,-0.4 -0.674 71.6-152.6 -82.9 120.2 25.2 -17.1 -26.0 306 325 A P H > S+ 0 0 103 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.841 94.2 52.6 -59.3 -38.7 22.6 -19.6 -24.5 307 326 A A H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.809 110.0 48.0 -71.5 -31.3 23.3 -18.5 -20.9 308 327 A V H > S+ 0 0 31 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.916 109.2 53.2 -72.8 -46.5 22.7 -14.8 -21.7 309 328 A A H < S+ 0 0 2 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.894 111.4 47.6 -51.4 -44.3 19.5 -15.7 -23.6 310 329 A E H >< S+ 0 0 121 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.933 111.2 49.5 -61.8 -49.3 18.4 -17.6 -20.4 311 330 A L H 3< S+ 0 0 47 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.794 110.1 51.7 -61.3 -30.8 19.3 -14.6 -18.2 312 331 A L T 3< S+ 0 0 1 -4,-2.4 -1,-0.3 -107,-0.1 -2,-0.2 0.497 91.5 96.9 -82.8 -6.5 17.4 -12.2 -20.5 313 332 A T S < S- 0 0 13 -3,-1.4 -108,-0.2 -4,-0.3 2,-0.1 -0.766 78.4-126.0 -90.1 123.3 14.3 -14.5 -20.2 314 333 A P - 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