==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-OCT-11 3UCL . COMPND 2 MOLECULE: CYCLOHEXANONE MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP. HI-31; . AUTHOR B.J.YACHNIN,A.M.BERGHUIS . 511 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 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 . 4 0.8 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 . 36 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 3 1 0 1 1 0 1 1 2 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 3 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 PARALLEL BRIDGES PER LADDER . 3 1 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 . 3 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 5 A T 0 0 125 0, 0.0 128,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 133.0 8.3 27.1 -8.7 2 6 A T E -a 129 0A 88 126,-0.2 2,-0.4 128,-0.0 128,-0.2 -0.940 360.0-168.9-129.7 125.0 7.2 28.1 -5.2 3 7 A H E -a 130 0A 63 126,-3.5 128,-2.4 -2,-0.4 2,-0.5 -0.907 11.9-148.2-115.7 140.2 4.3 27.0 -3.0 4 8 A T E +a 131 0A 107 -2,-0.4 2,-0.2 126,-0.2 128,-0.2 -0.950 29.1 159.4-115.1 122.5 3.2 28.7 0.2 5 9 A V E -a 132 0A 14 126,-2.9 128,-0.7 -2,-0.5 26,-0.2 -0.741 46.6-121.8-131.4 172.1 1.7 26.4 3.0 6 10 A D E S+ 0 0 42 24,-2.0 128,-1.9 1,-0.3 127,-0.7 0.884 91.5 15.2 -85.9 -42.7 1.1 26.4 6.7 7 11 A A E -ab 134 31A 0 23,-2.2 25,-2.7 126,-0.2 2,-0.5 -0.994 54.1-155.7-139.8 140.6 3.1 23.3 7.6 8 12 A V E -ab 135 32A 0 126,-2.1 128,-2.9 -2,-0.4 2,-0.6 -0.938 11.9-164.4-102.4 128.9 5.7 21.0 6.2 9 13 A V E -ab 136 33A 0 23,-3.3 25,-2.0 -2,-0.5 2,-0.6 -0.959 5.5-159.6-111.6 115.0 5.9 17.4 7.5 10 14 A I E +ab 137 34A 14 126,-2.4 128,-2.4 -2,-0.6 25,-0.2 -0.849 59.5 28.6 -95.2 122.6 9.1 15.7 6.7 11 15 A G - 0 0 7 23,-2.5 23,-0.2 -2,-0.6 24,-0.1 0.129 57.6-141.7 103.0 142.3 8.8 11.8 6.9 12 16 A A + 0 0 0 4,-0.2 29,-3.3 27,-0.1 30,-0.3 -0.107 62.2 105.5-133.0 40.6 5.9 9.3 6.5 13 17 A G S > S- 0 0 13 125,-0.4 4,-2.4 28,-0.2 5,-0.3 -0.107 101.0 -58.6 -85.9-161.5 6.4 6.7 9.1 14 18 A F H > S+ 0 0 13 27,-0.3 4,-1.7 1,-0.2 5,-0.2 0.876 140.0 48.8 -40.3 -48.7 4.2 6.6 12.2 15 19 A G H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 112.7 41.8 -68.7 -48.4 5.3 10.1 13.1 16 20 A G H > S+ 0 0 0 122,-0.4 4,-2.4 1,-0.2 5,-0.2 0.889 112.5 54.6 -70.3 -41.8 4.8 11.9 9.8 17 21 A I H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.929 113.1 41.8 -55.1 -48.7 1.5 10.2 9.0 18 22 A Y H X S+ 0 0 5 -4,-1.7 4,-3.3 -5,-0.3 5,-0.2 0.931 111.9 55.1 -70.2 -40.2 -0.0 11.3 12.3 19 23 A A H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.918 109.6 46.7 -57.8 -44.9 1.5 14.8 12.1 20 24 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.975 113.8 48.7 -63.0 -52.1 -0.1 15.4 8.7 21 25 A H H X>S+ 0 0 27 -4,-2.4 4,-2.1 -5,-0.2 5,-0.8 0.893 116.2 43.8 -51.5 -45.4 -3.5 14.0 10.0 22 26 A K H X>S+ 0 0 17 -4,-3.3 5,-1.8 3,-0.2 4,-1.5 0.990 116.4 43.8 -63.5 -58.1 -3.3 16.2 13.1 23 27 A L H <5S+ 0 0 2 -4,-2.9 6,-2.3 -5,-0.2 -2,-0.2 0.815 123.4 37.1 -62.6 -34.3 -2.2 19.4 11.4 24 28 A H H X5S+ 0 0 43 -4,-3.0 4,-0.6 -5,-0.3 -1,-0.2 0.936 125.8 30.2 -82.8 -50.9 -4.6 19.0 8.5 25 29 A H H <5S+ 0 0 90 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.1 0.885 129.4 32.5 -81.8 -42.6 -7.8 17.5 10.1 26 30 A E T < - 0 0 0 -29,-3.3 3,-2.2 48,-0.1 -27,-0.3 0.097 60.4-158.0 134.4 -21.3 5.5 3.4 6.2 42 46 A G T >> S+ 0 0 8 -3,-0.4 3,-3.3 -30,-0.3 4,-1.8 -0.220 80.3 12.1 52.0-122.7 8.9 4.9 7.1 43 47 A T H 3> S+ 0 0 75 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.826 132.2 53.8 -60.1 -24.8 11.1 2.4 8.7 44 48 A W H <4 S+ 0 0 25 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.451 104.8 55.9 -86.7 -2.3 8.7 -0.4 7.6 45 49 A Y H <4 S+ 0 0 40 -3,-3.3 -2,-0.2 -4,-0.1 -1,-0.2 0.837 115.7 35.2 -86.7 -47.0 8.8 0.8 4.1 46 50 A W H < S+ 0 0 115 -4,-1.8 2,-1.2 1,-0.2 117,-0.5 0.790 105.2 73.2 -77.0 -31.3 12.6 0.5 3.9 47 51 A N < + 0 0 28 -4,-2.0 -1,-0.2 -5,-0.3 114,-0.1 -0.607 45.9 140.2 -95.5 84.0 13.1 -2.6 6.1 48 52 A R + 0 0 63 -2,-1.2 118,-0.2 112,-0.2 -1,-0.1 0.013 25.5 136.6-112.6 27.2 12.0 -5.7 4.1 49 53 A Y > - 0 0 16 111,-0.5 3,-1.5 1,-0.1 33,-0.2 -0.400 68.1 -80.6 -69.6 152.4 14.7 -8.1 5.2 50 54 A P T 3 S+ 0 0 32 0, 0.0 139,-0.3 0, 0.0 140,-0.2 -0.283 113.5 16.3 -61.5 133.1 13.5 -11.7 6.1 51 55 A G T 3 S+ 0 0 38 1,-0.3 135,-0.1 138,-0.1 137,-0.1 0.542 76.6 166.5 81.1 6.8 12.1 -12.1 9.7 52 56 A A < + 0 0 7 -3,-1.5 30,-1.0 133,-0.1 2,-0.3 -0.378 16.3 166.0 -47.8 126.4 11.6 -8.4 10.2 53 57 A L E -I 81 0B 24 28,-0.2 28,-0.2 -3,-0.1 132,-0.1 -0.985 37.8-112.9-152.9 139.2 9.4 -8.4 13.4 54 58 A S E - 0 0 6 26,-2.1 4,-0.1 -2,-0.3 7,-0.0 -0.354 9.9-151.7 -58.7 147.5 8.2 -5.9 16.1 55 59 A D E S+ 0 0 33 2,-0.1 2,-0.4 24,-0.1 217,-0.3 0.279 82.2 79.5 -98.2 3.5 9.4 -6.4 19.7 56 60 A T E S- 0 0 2 24,-0.1 24,-0.6 215,-0.1 5,-0.1 -0.874 99.1 -98.8 -99.4 144.1 6.1 -4.7 20.8 57 61 A E E >> -I 79 0B 34 -2,-0.4 3,-1.8 184,-0.3 4,-0.9 -0.340 32.6-112.8 -65.1 147.0 3.1 -7.0 20.8 58 62 A S G >4 S+ 0 0 1 20,-3.5 3,-0.6 1,-0.3 21,-0.1 0.795 112.6 54.2 -45.2 -47.5 0.7 -6.7 17.8 59 63 A H G 34 S+ 0 0 24 19,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.704 117.0 38.4 -71.3 -12.9 -2.3 -5.2 19.6 60 64 A L G <4 S+ 0 0 1 -3,-1.8 2,-1.1 1,-0.1 -1,-0.2 0.446 90.7 86.4-119.1 -3.9 -0.1 -2.3 21.0 61 65 A Y S << S+ 0 0 34 -4,-0.9 2,-0.3 -3,-0.6 -1,-0.1 -0.569 85.6 64.6 -91.6 66.6 2.2 -1.6 18.0 62 66 A R S S- 0 0 3 -2,-1.1 2,-0.1 -3,-0.1 8,-0.0 -0.961 95.4 -64.1-169.5 172.5 -0.3 0.8 16.4 63 67 A F - 0 0 2 -2,-0.3 -2,-0.0 1,-0.1 -49,-0.0 -0.433 31.1-166.1 -71.3 152.1 -2.0 4.1 16.9 64 68 A S + 0 0 15 367,-0.1 -1,-0.1 -2,-0.1 6,-0.1 0.488 66.8 90.1-107.1 -12.7 -4.5 4.4 19.8 65 69 A F S S+ 0 0 56 1,-0.1 2,-0.6 2,-0.1 -1,-0.0 0.789 77.7 59.7 -65.6 -33.8 -6.2 7.7 18.8 66 70 A D > - 0 0 27 1,-0.1 4,-1.9 2,-0.0 5,-0.1 -0.859 60.8-166.1-102.6 114.1 -9.1 6.2 16.6 67 71 A R H > S+ 0 0 75 -2,-0.6 4,-1.2 2,-0.2 -1,-0.1 0.796 88.1 50.6 -65.3 -33.7 -11.5 3.8 18.5 68 72 A D H >> S+ 0 0 112 2,-0.2 4,-1.6 1,-0.2 3,-0.5 0.950 109.5 49.6 -76.4 -47.5 -13.2 2.4 15.3 69 73 A L H 3> S+ 0 0 4 1,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.868 107.7 55.8 -54.3 -44.5 -9.9 1.6 13.6 70 74 A L H 3< S+ 0 0 4 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.838 111.6 43.1 -58.0 -37.1 -8.8 -0.1 16.8 71 75 A Q H << S+ 0 0 94 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.713 116.2 51.7 -79.4 -21.2 -11.9 -2.3 16.6 72 76 A E H < S+ 0 0 117 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.2 0.850 87.1 87.0 -84.9 -37.6 -11.4 -2.8 12.8 73 77 A S < - 0 0 17 -4,-2.3 2,-0.3 -5,-0.1 15,-0.0 -0.311 54.7-167.3 -73.8 147.5 -7.7 -4.0 12.4 74 78 A T - 0 0 94 -2,-0.0 2,-0.3 0, 0.0 -2,-0.0 -0.767 6.4-173.7-121.7 174.8 -6.7 -7.6 12.6 75 79 A W - 0 0 21 -2,-0.3 140,-0.1 1,-0.1 145,-0.1 -0.971 23.2-138.7-162.6 165.0 -3.4 -9.6 12.8 76 80 A K S S+ 0 0 154 -2,-0.3 139,-3.2 3,-0.1 2,-0.2 0.845 80.3 31.1 -97.1 -43.3 -2.2 -13.2 12.7 77 81 A T B S-J 214 0C 27 2,-0.4 -19,-0.1 137,-0.3 135,-0.1 -0.689 83.0-105.9-118.4 167.0 0.4 -13.6 15.5 78 82 A T S S+ 0 0 32 135,-1.6 -20,-3.5 -2,-0.2 -19,-0.3 0.756 112.2 45.8 -64.4 -23.9 1.0 -12.0 19.0 79 83 A Y E S-I 57 0B 12 -22,-0.3 2,-0.4 -21,-0.1 -2,-0.4 -0.858 90.7-122.8-119.9 157.6 3.8 -10.0 17.3 80 84 A I E - 0 0 4 -24,-0.6 -26,-2.1 -2,-0.3 -24,-0.1 -0.862 14.8-140.6-118.9 131.7 3.6 -8.2 13.9 81 85 A T E > -I 53 0B 42 -2,-0.4 4,-2.7 -28,-0.2 5,-0.3 -0.382 31.8-103.4 -83.0 160.1 5.6 -8.6 10.8 82 86 A Q H > S+ 0 0 16 -30,-1.0 4,-2.6 1,-0.2 5,-0.2 0.846 120.0 50.7 -45.5 -46.8 6.9 -6.0 8.4 83 87 A P H > S+ 0 0 76 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.891 112.2 46.9 -67.2 -37.0 4.2 -6.8 5.7 84 88 A E H > S+ 0 0 24 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.935 115.7 45.1 -66.4 -44.7 1.4 -6.6 8.3 85 89 A I H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.877 112.7 50.7 -65.0 -41.7 2.7 -3.3 9.8 86 90 A L H X S+ 0 0 15 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.952 111.0 47.5 -65.3 -43.9 3.3 -1.8 6.4 87 91 A E H X S+ 0 0 123 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.867 110.4 54.9 -66.7 -32.4 -0.2 -2.6 5.2 88 92 A Y H X S+ 0 0 12 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.955 109.5 45.5 -56.4 -51.3 -1.6 -1.2 8.5 89 93 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.3 -2,-0.2 0.882 111.5 52.2 -68.4 -35.3 0.2 2.1 7.9 90 94 A E H X S+ 0 0 59 -4,-2.7 4,-2.1 2,-0.2 -1,-0.3 0.881 109.3 51.3 -59.6 -38.2 -1.0 2.1 4.3 91 95 A D H X S+ 0 0 78 -4,-2.2 4,-3.4 2,-0.2 -2,-0.2 0.885 107.5 52.2 -70.2 -34.0 -4.5 1.6 5.7 92 96 A V H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 6,-0.2 0.951 109.6 48.9 -64.7 -48.4 -4.1 4.5 8.1 93 97 A V H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 6,-0.7 0.883 117.2 42.2 -56.5 -38.0 -3.0 6.7 5.2 94 98 A D H ><5S+ 0 0 87 -4,-2.1 3,-1.4 3,-0.2 -2,-0.2 0.932 108.2 59.4 -76.6 -42.5 -6.1 5.6 3.2 95 99 A R H 3<5S+ 0 0 78 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.858 118.6 28.9 -48.7 -45.6 -8.5 5.7 6.1 96 100 A F T 3<5S- 0 0 30 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.159 107.7-117.8-107.6 13.1 -7.9 9.4 6.7 97 101 A D T < 5 + 0 0 110 -3,-1.4 3,-0.3 -4,-0.2 -3,-0.2 0.839 63.0 144.4 54.7 46.0 -7.0 10.5 3.0 98 102 A L >>< + 0 0 0 -5,-2.2 3,-2.7 -6,-0.2 4,-0.8 0.682 45.9 88.9 -90.2 -16.4 -3.5 11.6 3.8 99 103 A R G >4 S+ 0 0 90 -6,-0.7 3,-1.1 1,-0.3 -1,-0.2 0.859 84.3 54.7 -45.5 -49.9 -2.1 10.4 0.4 100 104 A R G 34 S+ 0 0 179 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.327 103.5 55.8 -71.6 6.7 -2.9 13.7 -1.3 101 105 A H G <4 S+ 0 0 15 -3,-2.7 -68,-3.6 -69,-0.1 2,-0.4 0.585 97.7 82.6-105.9 -11.7 -0.9 15.6 1.3 102 106 A F E << -c 33 0A 15 -3,-1.1 2,-0.7 -4,-0.8 -68,-0.2 -0.733 60.1-157.8 -96.6 135.5 2.2 13.6 0.7 103 107 A K E > -c 34 0A 82 -70,-3.3 -68,-1.7 -2,-0.4 3,-0.5 -0.952 25.8-163.8 -99.6 105.8 4.8 14.0 -2.0 104 108 A F T 3 + 0 0 40 -2,-0.7 -66,-0.3 1,-0.2 -68,-0.2 -0.331 69.1 28.7 -85.7 175.2 6.4 10.5 -2.2 105 109 A G T 3 S+ 0 0 24 -68,-3.9 2,-0.5 -70,-0.2 -69,-0.3 0.777 98.0 123.0 38.5 35.9 9.8 9.7 -3.9 106 110 A T < - 0 0 7 -71,-2.2 -71,-0.4 -3,-0.5 2,-0.4 -0.969 49.9-156.7-130.8 108.9 10.5 13.4 -2.9 107 111 A E - 0 0 101 -2,-0.5 18,-1.2 -71,-0.1 2,-0.4 -0.772 12.7-136.6 -94.0 132.1 13.5 14.3 -0.7 108 112 A V E +D 124 0A 6 -2,-0.4 16,-0.2 16,-0.2 3,-0.1 -0.736 27.1 172.3 -81.5 132.8 13.7 17.4 1.4 109 113 A T E + 0 0 50 14,-3.0 277,-2.2 -2,-0.4 2,-0.3 0.549 56.8 25.5-122.6 -19.3 17.2 18.9 1.0 110 114 A S E -De 123 386A 14 13,-1.2 13,-2.0 275,-0.2 2,-0.4 -0.985 45.8-179.8-150.5 140.2 17.1 22.3 2.7 111 115 A A E +De 122 387A 2 275,-2.9 277,-2.8 -2,-0.3 2,-0.4 -0.942 18.0 176.6-138.4 118.6 15.1 24.0 5.5 112 116 A L E -De 121 388A 43 9,-1.9 9,-3.5 -2,-0.4 2,-0.2 -0.986 24.5-132.7-128.3 129.8 16.1 27.6 6.1 113 117 A Y E -D 120 0A 14 275,-2.6 2,-0.7 -2,-0.4 7,-0.2 -0.574 11.6-145.1 -80.4 143.9 14.5 30.0 8.6 114 118 A L E >>> -D 119 0A 37 5,-3.1 4,-1.7 -2,-0.2 3,-1.4 -0.885 10.6-165.6-111.0 99.7 13.8 33.5 7.3 115 119 A D T 345S+ 0 0 52 -2,-0.7 3,-0.2 1,-0.3 -1,-0.2 0.860 83.4 47.4 -56.4 -40.3 14.4 35.8 10.3 116 120 A D T 345S+ 0 0 167 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.574 121.9 33.3 -82.1 -8.1 12.6 38.9 8.8 117 121 A E T <45S- 0 0 102 -3,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.444 99.8-126.6-121.6 -11.8 9.5 37.1 7.7 118 122 A N T <5 + 0 0 32 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.881 67.1 121.0 58.6 43.7 9.2 34.4 10.4 119 123 A L E < -D 114 0A 34 -5,-1.1 -5,-3.1 336,-0.0 2,-0.4 -0.921 61.9-123.0-133.4 162.4 9.0 31.5 7.9 120 124 A W E -DF 113 132A 0 12,-3.1 12,-2.4 -2,-0.3 2,-0.7 -0.880 18.2-151.6-101.6 133.5 10.8 28.3 6.9 121 125 A E E -DF 112 131A 63 -9,-3.5 -9,-1.9 -2,-0.4 2,-0.4 -0.925 22.7-178.4-111.0 106.7 12.0 28.1 3.3 122 126 A V E -DF 111 130A 0 8,-3.4 8,-4.4 -2,-0.7 2,-0.3 -0.915 5.7-169.1-117.8 132.3 12.0 24.4 2.4 123 127 A T E -DF 110 129A 24 -13,-2.0 -14,-3.0 -2,-0.4 -13,-1.2 -0.930 8.2-145.2-127.9 146.0 13.1 22.8 -0.8 124 128 A T E > -D 108 0A 4 4,-2.3 3,-1.0 -2,-0.3 -16,-0.2 -0.337 34.4-104.1 -96.8 179.3 12.9 19.4 -2.5 125 129 A D T 3 S+ 0 0 80 -18,-1.2 -17,-0.1 1,-0.3 -1,-0.0 0.353 120.6 59.8 -89.0 2.5 15.2 17.4 -4.8 126 130 A H T 3 S- 0 0 115 -19,-0.2 -1,-0.3 2,-0.1 -20,-0.0 -0.132 121.8-107.7-110.0 26.4 12.9 18.3 -7.8 127 131 A G S < S+ 0 0 52 -3,-1.0 2,-0.3 1,-0.2 -2,-0.1 0.591 70.5 143.8 57.3 20.6 13.6 22.0 -7.1 128 132 A E - 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0 0 33 -139,-3.2 5,-0.1 -140,-0.1 -140,-0.1 -0.765 33.0 -99.6 -94.3 130.2 -3.7 -15.6 17.8 216 223 A N >> - 0 0 94 -2,-0.5 3,-1.5 2,-0.1 4,-0.7 -0.106 50.2 -88.6 -55.0 130.1 -6.7 -17.6 19.1 217 224 A P T 34 S- 0 0 128 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.361 113.1 -17.1 -12.0 -71.9 -9.7 -17.7 16.6 218 225 A E T 34 S+ 0 0 120 2,-0.1 -2,-0.1 1,-0.1 -3,-0.0 -0.737 89.4 119.7-135.7 94.1 -10.8 -14.5 18.3 219 226 A Q T <> S+ 0 0 24 -3,-1.5 4,-1.4 -2,-0.2 -3,-0.1 0.017 76.9 77.9-108.8 4.5 -9.3 -13.7 21.7 220 227 A I H X S+ 0 0 6 -4,-0.7 4,-2.8 2,-0.2 5,-0.1 0.761 88.5 58.3 -54.9 -35.8 -8.3 -10.8 19.4 221 228 A A H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.865 100.7 52.2 -63.9 -37.7 -12.0 -10.2 20.4 222 229 A E H > S+ 0 0 145 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.892 112.1 43.9 -74.9 -38.6 -11.1 -10.2 24.1 223 230 A I H >< S+ 0 0 36 -4,-1.4 3,-1.0 2,-0.2 -2,-0.2 0.950 112.9 53.2 -66.8 -44.7 -8.4 -7.6 23.7 224 231 A K H >< S+ 0 0 24 -4,-2.8 3,-1.0 1,-0.3 -2,-0.2 0.875 107.6 51.5 -55.4 -39.1 -10.7 -5.5 21.4 225 232 A A H 3< S+ 0 0 90 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.733 115.8 42.0 -69.6 -20.6 -13.4 -5.6 24.1 226 233 A D T + 0 0 4 -3,-1.0 4,-2.6 2,-0.2 5,-0.2 0.813 68.7 56.2 -66.7 -39.6 -9.0 -1.7 24.5 228 235 A D H > S+ 0 0 117 2,-0.2 4,-2.3 -4,-0.2 -1,-0.2 0.945 113.8 42.8 -59.6 -44.9 -9.8 1.5 26.5 229 236 A R H > S+ 0 0 135 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.946 111.4 55.0 -63.1 -50.1 -8.3 -0.1 29.6 230 237 A I H X S+ 0 0 27 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.927 115.0 38.9 -44.8 -56.6 -5.3 -1.6 27.6 231 238 A W H X S+ 0 0 12 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.824 113.3 53.7 -69.6 -38.4 -4.4 1.9 26.3 232 239 A E H X S+ 0 0 120 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.940 112.8 45.6 -57.7 -48.8 -5.1 3.8 29.5 233 240 A R H < S+ 0 0 86 -4,-2.8 3,-0.3 2,-0.2 -2,-0.2 0.914 112.7 49.2 -59.0 -45.4 -2.8 1.4 31.4 234 241 A A H >< S+ 0 0 3 -4,-2.0 3,-1.6 -5,-0.3 6,-0.3 0.927 110.8 50.2 -64.3 -44.9 -0.1 1.6 28.7 235 242 A K H 3< S+ 0 0 26 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.768 111.6 50.9 -61.9 -24.1 -0.3 5.4 28.7 236 243 A N T 3< S+ 0 0 94 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.146 101.8 76.9-104.3 21.7 0.0 5.3 32.5 237 244 A S S < S- 0 0 15 -3,-1.6 255,-1.7 1,-0.1 254,-0.3 -0.617 84.6-110.5-121.1 176.8 3.1 3.0 32.6 238 245 A A S S+ 0 0 37 252,-0.2 253,-2.3 253,-0.2 189,-0.2 0.935 108.8 10.4 -77.8 -46.4 6.9 3.5 32.1 239 246 A V S S- 0 0 10 251,-0.2 190,-2.7 189,-0.1 -1,-0.1 0.482 85.5-137.4-118.4 -6.8 7.4 1.6 28.8 240 247 A A + 0 0 0 -6,-0.3 -6,-0.1 -7,-0.2 -5,-0.1 0.834 56.1 137.4 52.2 44.1 3.9 0.9 27.6 241 248 A F S S- 0 0 9 2,-0.3 -184,-0.3 -7,-0.1 -1,-0.1 0.321 77.4-100.3 -99.3 7.0 4.6 -2.7 26.5 242 249 A G S S+ 0 0 44 1,-0.3 2,-0.3 -12,-0.1 -8,-0.1 0.582 88.7 93.0 88.5 12.7 1.3 -4.0 28.0 243 250 A F S S- 0 0 20 -10,-0.1 2,-0.4 -9,-0.1 -1,-0.3 -0.936 83.4 -93.5-128.8 156.5 2.4 -5.5 31.3 244 251 A E - 0 0 121 -2,-0.3 2,-0.6 -3,-0.1 -7,-0.0 -0.573 41.7-128.8 -60.4 121.2 2.6 -4.3 34.9 245 252 A E - 0 0 41 -2,-0.4 32,-0.2 1,-0.1 35,-0.1 -0.712 32.3-121.7 -76.4 116.3 6.2 -3.0 35.4 246 253 A S - 0 0 29 30,-2.0 33,-0.1 -2,-0.6 32,-0.1 -0.114 27.1-170.4 -65.7 158.9 7.4 -4.7 38.5 247 254 A T + 0 0 134 31,-0.1 -1,-0.1 30,-0.1 32,-0.1 0.381 51.9 121.4-120.4 -7.3 8.6 -3.0 41.7 248 255 A L - 0 0 61 30,-0.1 32,-1.8 1,-0.1 33,-0.4 -0.441 65.0-129.6 -65.4 110.4 9.8 -6.3 43.2 249 256 A P > - 0 0 58 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.418 13.4-137.7 -63.2 129.0 13.6 -6.1 44.0 250 257 A A G > S+ 0 0 0 1,-0.3 3,-0.8 -2,-0.1 8,-0.1 0.817 98.2 50.6 -57.0 -35.8 15.3 -9.2 42.5 251 258 A M G 3 S+ 0 0 89 1,-0.2 -1,-0.3 7,-0.0 4,-0.1 0.360 92.9 76.0 -91.3 7.7 17.6 -10.0 45.4 252 259 A S G < S+ 0 0 74 -3,-1.5 2,-0.3 2,-0.1 -1,-0.2 0.225 89.2 63.6-106.0 12.9 14.8 -9.9 48.0 253 260 A V S < S- 0 0 30 -3,-0.8 0, 0.0 1,-0.1 0, 0.0 -0.845 95.2 -83.9-124.3 170.6 13.4 -13.2 47.1 254 261 A S > - 0 0 71 -2,-0.3 4,-2.4 1,-0.1 3,-0.2 -0.233 39.7-107.1 -67.9 161.7 14.8 -16.8 47.3 255 262 A E H > S+ 0 0 134 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.821 121.2 48.4 -52.4 -34.1 17.1 -18.3 44.7 256 263 A E H > S+ 0 0 158 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.799 108.8 49.6 -86.9 -30.3 14.2 -20.5 43.6 257 264 A E H > S+ 0 0 76 -3,-0.2 4,-3.3 2,-0.2 5,-0.2 0.923 111.6 51.2 -68.2 -41.5 11.5 -17.8 43.4 258 265 A R H X S+ 0 0 17 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.912 112.7 44.9 -57.8 -48.5 13.9 -15.7 41.3 259 266 A N H X S+ 0 0 75 -4,-1.7 4,-3.1 2,-0.2 -1,-0.2 0.918 113.9 50.4 -64.3 -46.6 14.5 -18.7 38.9 260 267 A R H X S+ 0 0 96 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.937 111.7 46.7 -55.6 -49.3 10.8 -19.4 38.9 261 268 A I H X S+ 0 0 28 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.937 115.1 47.0 -64.4 -43.6 9.9 -15.8 38.0 262 269 A F H X S+ 0 0 4 -4,-2.7 4,-3.2 -5,-0.2 -1,-0.2 0.942 111.2 52.0 -57.1 -50.5 12.6 -15.6 35.3 263 270 A Q H X S+ 0 0 53 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.927 107.2 51.7 -56.7 -48.8 11.5 -19.0 33.9 264 271 A E H X S+ 0 0 114 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.850 113.1 45.0 -59.9 -34.4 7.8 -17.8 33.6 265 272 A A H X S+ 0 0 11 -4,-1.7 4,-3.4 -5,-0.2 -2,-0.2 0.956 111.3 53.6 -72.1 -47.3 8.8 -14.7 31.8 266 273 A W H < S+ 0 0 23 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.898 113.5 43.0 -42.7 -53.6 11.2 -16.7 29.5 267 274 A D H < S+ 0 0 100 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.752 115.3 47.1 -72.3 -31.4 8.3 -19.1 28.6 268 275 A H H < S- 0 0 72 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.878 106.8-152.2 -75.8 -35.4 5.8 -16.3 28.1 269 276 A G < + 0 0 0 -4,-3.4 -59,-0.3 1,-0.2 -58,-0.1 -0.020 41.0 126.2 83.4 167.5 8.4 -14.5 26.0 270 277 A G > - 0 0 3 -61,-3.0 4,-1.5 -4,-0.1 -1,-0.2 0.233 50.0-126.8 111.7 127.4 9.0 -10.8 25.3 271 278 A G H > S+ 0 0 3 -216,-0.3 4,-1.6 2,-0.2 5,-0.2 0.945 106.4 41.4 -71.4 -54.9 12.1 -8.7 25.8 272 279 A F H >>S+ 0 0 3 -217,-0.3 4,-2.7 1,-0.2 5,-0.5 0.828 111.3 60.3 -59.5 -29.3 10.9 -5.8 27.9 273 280 A R H >>S+ 0 0 67 1,-0.2 4,-2.2 3,-0.2 5,-0.6 0.912 105.3 47.7 -67.7 -41.4 8.8 -8.2 30.0 274 281 A F H <5S+ 0 0 0 -4,-1.5 4,-0.4 1,-0.2 5,-0.3 0.921 118.7 38.9 -65.1 -44.2 12.0 -10.1 31.0 275 282 A M H <5S+ 0 0 1 -4,-1.6 7,-0.4 1,-0.1 8,-0.2 0.769 137.7 13.2 -76.0 -31.5 13.9 -6.9 31.9 276 283 A F H <5S+ 0 0 45 -4,-2.7 -30,-2.0 -5,-0.2 -3,-0.2 0.452 118.8 61.4-128.6 -10.4 11.0 -5.0 33.6 277 284 A G T <> + 0 0 24 -33,-0.4 4,-2.3 2,-0.1 3,-1.2 0.277 64.7 110.3-135.5 15.3 15.7 -3.3 39.5 282 289 A I T 34 S+ 0 0 0 -7,-0.4 37,-0.2 1,-0.3 -6,-0.1 0.863 91.7 43.7 -56.9 -30.5 17.4 -5.2 36.7 283 290 A A T 34 S+ 0 0 7 -8,-0.2 195,-4.0 1,-0.1 196,-0.5 0.516 124.3 31.0 -93.4 -7.3 18.3 -1.9 35.2 284 291 A T T <4 S+ 0 0 71 -3,-1.2 2,-0.4 193,-0.3 -2,-0.2 0.436 107.6 65.5-132.7 -10.7 19.4 -0.0 38.4 285 292 A D X - 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