==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-OCT-05 2ET6 . COMPND 2 MOLECULE: (3R)-HYDROXYACYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA TROPICALIS; . AUTHOR M.S.YLIANTTILA,J.K.HILTUNEN,T.GLUMOFF . 582 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 416 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 4.8 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 0.3 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 . 34 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.2 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 1 1 0 1 1 0 6 3 1 0 0 2 1 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 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 PARALLEL BRIDGES PER LADDER . 2 2 0 0 3 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 . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 A S 0 0 155 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.2 65.7 26.9 20.6 2 3 A P - 0 0 91 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.004 360.0 -65.8 -73.5 178.8 63.3 29.9 20.3 3 4 A V - 0 0 12 1,-0.1 2,-0.3 2,-0.0 545,-0.1 -0.561 62.9-135.3 -70.0 125.8 59.8 30.0 18.9 4 5 A D + 0 0 95 -2,-0.4 212,-0.5 1,-0.1 213,-0.3 -0.596 43.8 154.7 -96.3 140.4 60.3 29.4 15.2 5 6 A F > + 0 0 3 25,-0.6 3,-1.9 -2,-0.3 -1,-0.1 0.193 25.9 154.1-137.8 10.2 58.7 31.2 12.2 6 7 A K T 3 S- 0 0 125 1,-0.3 26,-0.2 26,-0.1 25,-0.1 -0.177 73.7 -7.3 -58.8 128.0 61.4 30.5 9.5 7 8 A D T 3 S+ 0 0 87 24,-2.5 2,-0.5 1,-0.2 -1,-0.3 0.619 90.4 146.6 65.8 17.9 60.1 30.5 5.9 8 9 A K < - 0 0 43 -3,-1.9 25,-2.9 23,-0.1 2,-0.4 -0.748 47.3-133.1 -84.9 128.1 56.4 30.8 7.0 9 10 A V E -a 33 0A 3 -2,-0.5 73,-2.4 23,-0.2 74,-1.9 -0.739 28.3-170.1 -85.0 123.4 54.4 32.9 4.5 10 11 A V E -ab 34 83A 0 23,-3.1 25,-2.8 -2,-0.4 2,-0.5 -0.960 15.1-158.3-134.5 114.5 52.3 35.5 6.4 11 12 A I E -ab 35 84A 0 72,-2.4 74,-2.8 -2,-0.5 2,-0.5 -0.807 10.9-177.0 -93.0 125.2 49.6 37.8 5.1 12 13 A I E > -ab 36 85A 0 23,-2.4 25,-2.2 -2,-0.5 3,-0.6 -0.968 13.5-150.7-123.0 112.5 48.9 40.8 7.2 13 14 A T T 3 S+ 0 0 3 72,-1.5 25,-0.1 -2,-0.5 74,-0.1 -0.516 81.0 18.5 -79.3 147.9 46.0 43.0 6.0 14 15 A G T > S+ 0 0 18 23,-0.2 3,-0.6 -2,-0.2 6,-0.4 0.887 80.5 149.6 58.7 43.6 46.1 46.8 6.7 15 16 A A T < + 0 0 0 22,-3.5 23,-0.2 -3,-0.6 -1,-0.1 0.227 36.5 96.3 -96.8 13.4 49.9 46.5 7.3 16 17 A G T 3 S- 0 0 22 21,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.649 97.3 -8.2 -78.9 -16.1 50.9 50.0 6.2 17 18 A G S X> S+ 0 0 35 -3,-0.6 4,-1.5 29,-0.0 3,-0.6 -0.956 104.9 19.8-162.1 178.7 50.8 51.3 9.7 18 19 A G H >> S- 0 0 55 -2,-0.3 4,-2.0 1,-0.2 3,-0.6 -0.038 119.4 -8.7 53.5-144.8 50.1 50.7 13.4 19 20 A L H 3> S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.878 136.2 54.6 -50.9 -48.4 49.7 47.1 14.6 20 21 A G H <> S+ 0 0 0 -3,-0.6 4,-1.4 -6,-0.4 -5,-0.2 0.859 109.4 46.6 -57.7 -39.2 49.8 45.6 11.1 21 22 A K H <>S+ 0 0 0 -4,-2.6 5,-1.8 1,-0.2 3,-0.5 0.921 113.6 47.1 -68.9 -46.0 57.5 38.4 11.8 28 29 A A H ><5S+ 0 0 9 -4,-2.0 3,-1.3 -5,-0.3 -1,-0.2 0.758 104.0 61.2 -70.6 -27.7 60.2 39.2 9.2 29 30 A K H 3<5S+ 0 0 156 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.859 104.5 51.6 -62.3 -34.2 62.8 39.7 11.8 30 31 A L T <<5S- 0 0 70 -4,-1.0 -25,-0.6 -3,-0.5 -1,-0.3 0.195 130.8 -93.8 -92.9 13.6 62.2 36.0 12.8 31 32 A G T < 5S+ 0 0 18 -3,-1.3 -24,-2.5 1,-0.3 -3,-0.2 0.569 76.3 143.6 94.2 11.2 62.6 34.8 9.2 32 33 A A < - 0 0 1 -5,-1.8 2,-0.7 -26,-0.2 24,-0.7 -0.417 52.2-124.1 -81.4 157.2 59.0 34.8 8.0 33 34 A K E -ac 9 56A 57 -25,-2.9 -23,-3.1 -2,-0.1 2,-0.4 -0.915 35.2-155.6-103.8 109.6 58.0 35.8 4.4 34 35 A V E -ac 10 57A 0 22,-2.1 24,-2.1 -2,-0.7 2,-0.7 -0.729 19.9-156.4 -97.0 129.1 55.5 38.6 4.8 35 36 A V E -ac 11 58A 0 -25,-2.8 -23,-2.4 -2,-0.4 2,-0.9 -0.941 20.2-156.9 -90.9 108.7 52.8 39.8 2.4 36 37 A V E -ac 12 59A 0 22,-2.5 24,-2.2 -2,-0.7 2,-0.5 -0.815 11.7-168.4 -90.1 103.0 52.3 43.4 3.5 37 38 A N E + c 0 60A 2 -25,-2.2 -22,-3.5 -2,-0.9 -21,-0.3 -0.840 19.0 148.3 -98.9 126.8 48.8 44.4 2.4 38 39 A D 0 0 42 22,-2.3 5,-0.4 -2,-0.5 4,-0.1 -0.846 360.0 360.0-155.4 126.6 47.6 48.0 2.4 39 40 A L 0 0 142 -2,-0.3 24,-0.1 23,-0.2 -1,-0.1 0.809 360.0 360.0 -64.6 360.0 45.2 49.9 0.2 40 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 41 52 A K > 0 0 182 0, 0.0 4,-1.8 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -59.4 52.8 53.4 -1.5 42 53 A A H > + 0 0 40 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.896 360.0 46.9 -64.4 -40.1 52.2 52.6 2.3 43 54 A A H > S+ 0 0 0 -5,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.861 107.9 57.1 -68.3 -38.4 52.9 48.9 1.8 44 55 A D H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.890 102.2 55.8 -57.6 -43.2 56.0 49.7 -0.2 45 56 A V H X S+ 0 0 61 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.918 112.2 41.6 -60.0 -44.4 57.3 51.8 2.8 46 57 A V H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.901 113.0 53.8 -66.8 -42.4 57.0 48.8 5.1 47 58 A V H X S+ 0 0 16 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.844 106.7 53.4 -64.7 -33.1 58.4 46.3 2.4 48 59 A D H X S+ 0 0 109 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.913 106.9 50.1 -66.3 -45.2 61.5 48.5 2.0 49 60 A E H X S+ 0 0 59 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.917 111.3 51.1 -58.2 -41.8 62.3 48.6 5.8 50 61 A I H <>S+ 0 0 5 -4,-1.7 5,-2.8 2,-0.2 -2,-0.2 0.948 113.9 40.9 -62.3 -53.1 62.0 44.8 5.8 51 62 A V H ><5S+ 0 0 87 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.887 113.2 54.5 -64.9 -39.9 64.3 44.2 2.9 52 63 A K H 3<5S+ 0 0 183 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.876 109.2 50.2 -61.1 -37.2 66.8 46.8 4.1 53 64 A N T 3<5S- 0 0 120 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 -0.129 130.1 -88.4 -97.6 33.2 67.0 45.1 7.4 54 65 A G T < 5S+ 0 0 75 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.566 85.7 122.4 81.0 14.9 67.6 41.6 6.1 55 66 A G < - 0 0 19 -5,-2.8 2,-0.5 -6,-0.2 -1,-0.2 -0.382 58.7-117.4-106.4-179.8 64.1 40.2 5.6 56 67 A V E +c 33 0A 66 -24,-0.7 -22,-2.1 -28,-0.2 2,-0.3 -0.979 47.0 138.4-118.8 120.5 61.7 38.8 3.0 57 68 A A E -c 34 0A 15 -2,-0.5 2,-0.3 -24,-0.2 -22,-0.2 -0.967 29.1-162.3-156.3 150.8 58.5 40.7 2.1 58 69 A V E -c 35 0A 31 -24,-2.1 -22,-2.5 -2,-0.3 2,-0.2 -0.969 24.3-122.9-129.6 149.6 56.3 41.7 -0.9 59 70 A A E -c 36 0A 13 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.554 18.0-167.6 -86.0 152.5 53.7 44.4 -1.0 60 71 A D E -c 37 0A 3 -24,-2.2 -22,-2.3 -2,-0.2 10,-0.1 -0.965 5.6-168.5-139.1 131.5 50.0 43.9 -2.0 61 72 A Y + 0 0 122 -2,-0.3 -24,-0.1 -24,-0.2 -19,-0.1 0.336 42.2 129.0-102.9 3.6 47.9 47.0 -2.7 62 73 A N - 0 0 39 1,-0.1 2,-0.2 4,-0.1 -23,-0.2 -0.179 64.9-107.4 -73.8 153.3 44.5 45.3 -2.8 63 74 A N > - 0 0 53 1,-0.1 3,-2.0 -25,-0.1 7,-0.2 -0.533 34.3-121.5 -62.7 135.4 41.2 46.0 -1.1 64 75 A V T 3 S+ 0 0 12 1,-0.3 3,-0.5 -2,-0.2 54,-0.3 0.670 112.4 68.0 -62.7 -15.2 40.6 43.4 1.6 65 76 A L T 3 S+ 0 0 70 1,-0.3 2,-1.1 52,-0.1 3,-0.3 0.813 90.2 64.4 -68.4 -31.9 37.4 42.5 -0.2 66 77 A D X> + 0 0 63 -3,-2.0 4,-1.4 1,-0.2 3,-1.0 -0.361 65.0 149.7 -84.5 49.4 39.6 41.2 -3.0 67 78 A G H 3> + 0 0 0 -2,-1.1 4,-2.2 -3,-0.5 -1,-0.2 0.752 64.8 62.2 -57.4 -30.9 41.0 38.5 -0.6 68 79 A D H 3> S+ 0 0 95 -3,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.848 105.0 46.7 -59.2 -42.9 41.5 36.2 -3.6 69 80 A K H <> S+ 0 0 82 -3,-1.0 4,-1.2 2,-0.2 -2,-0.2 0.825 109.5 53.7 -71.0 -33.3 44.0 38.6 -5.1 70 81 A I H >X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 3,-0.9 0.965 113.3 41.7 -64.2 -53.6 45.9 39.2 -1.8 71 82 A V H 3X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.3 -2,-0.2 0.871 107.8 62.0 -64.3 -34.0 46.5 35.4 -1.3 72 83 A E H 3X S+ 0 0 94 -4,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.829 102.1 53.7 -56.5 -33.7 47.3 35.2 -5.1 73 84 A T H > - 0 0 9 -2,-0.3 4,-2.5 1,-0.1 3,-0.8 -0.200 46.2 -98.7 -56.2 163.4 25.8 57.3 18.0 96 107 A M T 34 S+ 0 0 2 1,-0.2 -1,-0.1 2,-0.2 331,-0.1 0.691 124.2 61.1 -62.0 -21.8 22.6 55.3 17.0 97 108 A K T 34 S+ 0 0 148 1,-0.1 -1,-0.2 330,-0.1 -3,-0.0 0.868 118.0 24.3 -68.6 -40.2 21.0 58.7 16.4 98 109 A K T <4 S+ 0 0 140 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.1 0.673 89.8 111.9-101.7 -26.2 23.5 59.8 13.6 99 110 A M < - 0 0 0 -4,-2.5 2,-0.1 1,-0.1 -5,-0.1 -0.332 53.8-150.5 -65.0 128.6 24.9 56.5 12.2 100 111 A T > - 0 0 58 -2,-0.1 4,-1.4 1,-0.1 5,-0.1 -0.445 27.0-108.5 -90.4 168.3 23.8 55.8 8.6 101 112 A E H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.846 121.4 51.2 -60.1 -36.5 23.3 52.5 6.9 102 113 A K H > S+ 0 0 185 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.851 104.2 54.9 -76.0 -37.2 26.4 53.2 4.8 103 114 A D H > S+ 0 0 41 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.867 113.2 46.3 -56.4 -36.9 28.5 54.0 7.9 104 115 A Y H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.946 113.1 44.1 -73.9 -50.6 27.4 50.5 9.1 105 116 A K H X S+ 0 0 60 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.907 110.4 55.6 -68.3 -44.7 28.0 48.4 6.0 106 117 A L H X S+ 0 0 54 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.870 110.7 44.6 -44.1 -49.6 31.4 50.0 5.3 107 118 A V H X S+ 0 0 0 -4,-1.1 4,-1.8 -5,-0.2 5,-0.4 0.909 114.8 48.4 -73.4 -36.6 32.7 49.1 8.8 108 119 A I H X>S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 5,-1.9 0.886 110.5 54.7 -63.3 -38.2 31.3 45.5 8.5 109 120 A D H <>S+ 0 0 32 -4,-2.7 5,-0.9 3,-0.2 -1,-0.2 0.886 112.1 38.5 -65.1 -46.1 32.8 45.2 5.1 110 121 A V H <5S+ 0 0 29 -4,-1.6 4,-0.2 3,-0.2 5,-0.2 0.961 125.5 34.9 -76.2 -46.1 36.4 46.0 6.0 111 122 A H H <5S+ 0 0 10 -4,-1.8 4,-0.3 -5,-0.2 -2,-0.2 0.905 135.0 16.7 -74.8 -45.3 36.6 44.2 9.4 112 123 A L T X5S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.4 -3,-0.2 0.896 126.9 43.1-101.1 -54.4 34.4 41.2 8.7 113 124 A N H > S+ 0 0 2 -4,-0.3 4,-2.1 -5,-0.2 5,-0.3 0.828 110.6 50.0 -61.2 -35.2 38.5 38.7 6.8 116 127 A F H X S+ 0 0 11 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.939 112.0 48.0 -71.0 -42.4 36.0 36.3 5.0 117 128 A A H X S+ 0 0 17 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.911 116.7 40.5 -62.9 -47.1 37.5 37.1 1.6 118 129 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 -54,-0.3 -1,-0.2 0.927 119.8 43.9 -68.6 -47.0 41.2 36.7 2.6 119 130 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.866 109.2 55.6 -70.6 -41.9 40.6 33.6 4.8 120 131 A K H < S+ 0 0 57 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.927 112.0 45.4 -53.3 -46.1 38.3 31.9 2.3 121 132 A A H < S+ 0 0 20 -4,-1.6 4,-0.5 -5,-0.2 -2,-0.2 0.810 112.7 50.3 -69.1 -33.3 41.1 32.3 -0.2 122 133 A A H >X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 3,-0.6 0.822 94.6 79.5 -72.4 -27.8 43.8 31.1 2.2 123 134 A W H 3X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.780 86.2 50.6 -57.2 -47.7 41.7 28.0 3.1 124 135 A P H 3> S+ 0 0 68 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.903 113.7 48.1 -55.4 -40.0 42.4 25.6 0.2 125 136 A Y H <> S+ 0 0 85 -3,-0.6 4,-1.9 -4,-0.5 -2,-0.2 0.919 110.9 49.3 -72.3 -41.1 46.1 26.2 0.7 126 137 A F H X>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 4,-0.8 0.926 113.5 48.8 -56.6 -43.6 45.8 25.6 4.5 127 138 A Q H <5S+ 0 0 44 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.881 109.7 49.7 -65.3 -40.5 43.9 22.4 3.7 128 139 A K H <5S+ 0 0 189 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 118.7 36.6 -71.3 -42.3 46.3 21.0 1.1 129 140 A Q H <5S- 0 0 63 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.516 106.9-126.0 -86.4 -7.3 49.4 21.4 3.2 130 141 A K T <5S+ 0 0 111 -4,-0.8 2,-0.3 -5,-0.2 -3,-0.2 0.922 75.3 96.8 56.3 48.8 47.5 20.5 6.4 131 142 A Y < + 0 0 33 -5,-2.0 2,-0.3 -6,-0.2 44,-0.3 -0.905 36.3 145.5-163.7 138.5 48.6 23.6 8.2 132 143 A G E - e 0 175A 0 42,-1.7 44,-1.8 -2,-0.3 2,-0.4 -0.953 21.8-160.5-166.4 154.8 47.2 27.1 9.0 133 144 A R E -de 83 176A 10 -51,-1.7 -49,-2.2 -2,-0.3 2,-0.5 -0.961 14.7-174.3-142.5 117.8 47.2 29.8 11.7 134 145 A I E -de 84 177A 0 42,-2.7 44,-2.1 -2,-0.4 2,-0.5 -0.965 8.5-171.1-120.2 130.7 44.6 32.5 11.7 135 146 A V E -de 85 178A 0 -51,-2.4 -49,-2.8 -2,-0.5 2,-0.5 -0.969 8.0-161.8-118.3 116.6 44.4 35.5 14.0 136 147 A N E -de 86 179A 0 42,-2.9 44,-1.7 -2,-0.5 2,-0.9 -0.833 17.4-134.4 -93.9 125.5 41.2 37.6 13.9 137 148 A T E + e 0 180A 8 -51,-2.2 44,-0.1 -2,-0.5 22,-0.1 -0.728 36.5 162.8 -81.7 105.4 41.6 41.1 15.4 138 149 A S - 0 0 1 42,-2.4 19,-0.1 -2,-0.9 43,-0.1 -0.054 20.9-147.5 -90.4-157.6 38.6 41.8 17.7 139 150 A S >> - 0 0 3 42,-0.2 4,-1.7 17,-0.2 3,-0.8 -0.960 33.6 -94.7-166.5 161.6 38.5 44.6 20.4 140 151 A P H 3> S+ 0 0 12 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.834 124.9 59.9 -50.3 -37.1 37.0 45.3 23.8 141 152 A A H 3> S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 16,-0.1 0.853 103.3 51.5 -62.4 -37.4 34.1 47.0 21.9 142 153 A G H <4 S+ 0 0 0 -3,-0.8 -1,-0.2 2,-0.2 18,-0.1 0.880 115.0 42.5 -58.0 -43.6 33.5 43.6 20.2 143 154 A L H < S+ 0 0 1 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.1 0.935 134.7 12.6 -69.3 -43.8 33.4 41.8 23.6 144 155 A Y H < S- 0 0 6 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.487 99.9-111.2-118.0 -10.5 31.3 44.4 25.5 145 156 A G < - 0 0 1 -4,-2.1 426,-0.4 -5,-0.3 2,-0.3 -0.014 30.2-141.2 81.6 159.2 29.7 46.9 23.2 146 157 A N > - 0 0 31 319,-0.3 3,-2.0 424,-0.1 7,-0.2 -0.891 21.3 -97.5-160.7 134.7 30.8 50.6 23.2 147 158 A F T 3 S+ 0 0 120 -2,-0.3 -52,-0.1 1,-0.3 323,-0.1 -0.158 106.5 7.9 -51.1 134.3 29.0 53.9 22.8 148 159 A G T 3 S+ 0 0 6 321,-0.1 -54,-2.1 1,-0.1 -1,-0.3 0.494 108.1 90.0 74.1 6.8 29.0 55.3 19.3 149 160 A Q B <> +t 94 0B 22 -3,-2.0 4,-3.6 -56,-0.2 5,-0.4 -0.179 36.6 142.7-126.1 41.1 30.5 52.2 17.7 150 161 A A H > S+ 0 0 0 -56,-0.6 4,-1.8 1,-0.2 -1,-0.1 0.881 80.8 40.1 -57.1 -42.2 27.5 50.1 16.7 151 162 A N H > S+ 0 0 0 -59,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.979 115.0 48.8 -60.7 -63.7 29.1 49.0 13.6 152 163 A Y H > S+ 0 0 41 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.882 113.4 48.3 -56.4 -40.8 32.7 48.5 14.9 153 164 A A H X S+ 0 0 0 -4,-3.6 4,-2.5 2,-0.2 5,-0.3 0.927 110.1 53.2 -61.6 -48.2 31.3 46.4 17.8 154 165 A S H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.4 -2,-0.2 0.917 114.7 41.0 -50.7 -41.6 29.2 44.4 15.3 155 166 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.950 116.4 46.9 -75.5 -45.5 32.2 43.6 13.2 156 167 A K H < S+ 0 0 7 -4,-2.9 4,-0.2 -5,-0.2 -2,-0.2 0.825 115.8 46.1 -70.4 -27.8 34.6 42.9 16.0 157 168 A S H >X S+ 0 0 1 -4,-2.5 3,-1.5 -5,-0.3 4,-1.0 0.880 106.9 57.2 -79.2 -38.2 32.1 40.7 17.8 158 169 A A H >X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 3,-0.6 0.889 99.7 61.8 -53.7 -37.4 31.2 38.9 14.6 159 170 A L H 3X S+ 0 0 3 -4,-1.6 4,-1.5 1,-0.3 -1,-0.3 0.626 94.0 62.7 -74.6 -13.3 35.0 38.0 14.4 160 171 A L H <> S+ 0 0 3 -3,-1.5 4,-1.8 -4,-0.2 -1,-0.3 0.917 108.2 39.8 -66.5 -53.4 34.8 36.1 17.6 161 172 A G H <>S+ 0 0 0 -4,-3.1 5,-1.9 -5,-0.3 3,-1.4 0.724 83.6 88.2 -81.6 -25.0 40.1 23.7 10.8 171 182 A A G ><5S+ 0 0 59 -4,-1.2 3,-1.6 1,-0.3 -1,-0.2 0.808 86.8 50.6 -45.9 -48.6 41.1 21.2 13.5 172 183 A K G 3 5S+ 0 0 146 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.789 113.0 47.7 -66.9 -26.2 41.4 18.1 11.3 173 184 A Y G < 5S- 0 0 60 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.295 118.8-109.1 -92.1 8.4 43.6 20.1 8.8 174 185 A N T < 5S+ 0 0 85 -3,-1.6 -42,-1.7 -4,-0.3 2,-0.6 0.835 72.7 142.7 60.3 35.5 45.9 21.5 11.6 175 186 A I E < -e 132 0A 0 -5,-1.9 2,-0.4 -44,-0.3 -1,-0.3 -0.946 30.1-170.1-103.0 119.9 44.4 25.0 11.1 176 187 A K E -e 133 0A 32 -44,-1.8 -42,-2.7 -2,-0.6 2,-0.4 -0.924 1.5-166.4-114.1 137.9 44.0 26.9 14.4 177 188 A A E +e 134 0A 0 -2,-0.4 45,-3.1 -14,-0.2 46,-0.4 -0.982 11.7 166.6-128.4 132.7 42.0 30.2 14.7 178 189 A N E -e 135 0A 0 -44,-2.1 -42,-2.9 -2,-0.4 2,-0.4 -0.949 22.5-136.8-139.3 162.7 42.0 32.7 17.6 179 190 A A E -ef 136 224A 0 44,-2.5 46,-1.4 -2,-0.3 2,-0.3 -0.965 9.9-159.7-119.8 139.4 40.9 36.2 18.4 180 191 A I E -ef 137 225A 0 -44,-1.7 -42,-2.4 -2,-0.4 46,-0.2 -0.789 5.7-158.8-107.6 158.7 42.6 39.0 20.3 181 192 A A E - f 0 226A 4 44,-2.2 46,-1.0 -2,-0.3 2,-0.3 -0.650 16.7-169.2-136.1 77.7 41.0 42.1 21.8 182 193 A P E - f 0 227A 15 0, 0.0 2,-0.2 0, 0.0 46,-0.2 -0.570 20.7-126.8 -75.0 128.1 43.7 44.7 22.3 183 194 A L - 0 0 21 44,-1.7 2,-0.2 -2,-0.3 46,-0.2 -0.528 28.4-151.4 -70.5 135.4 42.8 47.8 24.4 184 195 A A - 0 0 62 -2,-0.2 2,-0.5 44,-0.1 5,-0.2 -0.678 25.2 -94.3-108.3 160.7 43.5 51.0 22.5 185 196 A R + 0 0 154 16,-0.3 2,-0.3 -2,-0.2 -1,-0.0 -0.648 64.7 146.5 -69.0 119.5 44.3 54.5 23.8 186 197 A S > - 0 0 55 -2,-0.5 4,-2.7 1,-0.0 5,-0.1 -0.847 65.7 -91.4-141.5-178.1 41.0 56.4 24.0 187 198 A R H > S+ 0 0 223 -2,-0.3 4,-0.6 2,-0.2 -1,-0.0 0.847 127.4 49.6 -62.6 -35.3 39.3 59.1 26.1 188 199 A M H >4 S+ 0 0 45 2,-0.2 3,-0.6 1,-0.2 4,-0.4 0.934 113.7 43.5 -69.1 -47.1 38.0 56.3 28.3 189 200 A T H >> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 3,-1.6 0.918 110.3 55.3 -65.4 -44.6 41.4 54.6 28.7 190 201 A E H 3< S+ 0 0 133 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.649 108.8 49.6 -66.2 -15.7 43.2 57.8 29.3 191 202 A S T << S+ 0 0 93 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.481 118.2 38.7 -96.9 -7.3 40.8 58.6 32.1 192 203 A I T <4 S+ 0 0 33 -3,-1.6 -2,-0.2 -4,-0.4 -3,-0.1 0.677 110.1 56.7-110.1 -28.1 41.2 55.2 33.8 193 204 A M S < S- 0 0 10 -4,-2.4 -1,-0.1 -5,-0.1 383,-0.0 -0.883 78.6-114.8-123.1 142.0 45.0 54.4 33.4 194 205 A P >> - 0 0 53 0, 0.0 4,-1.8 0, 0.0 3,-1.3 -0.250 36.3-101.2 -74.9 157.1 48.1 56.2 34.4 195 206 A P H 3> S+ 0 0 100 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.756 117.7 57.1 -48.0 -40.1 50.7 57.7 31.9 196 207 A P H 34 S+ 0 0 72 0, 0.0 4,-0.3 0, 0.0 5,-0.0 0.810 110.9 43.3 -62.9 -33.9 53.2 54.8 32.3 197 208 A M H X4 S+ 0 0 16 -3,-1.3 3,-0.6 2,-0.2 4,-0.4 0.821 108.8 58.4 -77.0 -35.6 50.6 52.2 31.3 198 209 A L H >< S+ 0 0 23 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.844 104.1 51.5 -62.4 -34.7 49.3 54.4 28.5 199 210 A E T 3< S+ 0 0 145 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.616 109.1 50.2 -81.6 -13.7 52.8 54.4 26.9 200 211 A K T < S+ 0 0 71 -3,-0.6 2,-1.9 -4,-0.3 29,-0.5 0.418 85.8 98.3 -91.3 -6.0 53.0 50.6 27.0 201 212 A L < + 0 0 10 -3,-0.6 -16,-0.3 -4,-0.4 -1,-0.1 -0.495 68.8 88.7 -83.0 70.5 49.5 50.5 25.4 202 213 A G S >> S- 0 0 17 -2,-1.9 3,-1.8 -18,-0.1 4,-0.6 -0.894 94.2 -71.2-155.9 179.3 50.8 49.9 21.9 203 214 A P H >> S+ 0 0 40 0, 0.0 4,-2.6 0, 0.0 3,-0.8 0.745 116.4 67.6 -53.9 -30.8 51.9 47.3 19.3 204 215 A E H 34 S+ 0 0 44 1,-0.3 342,-0.3 2,-0.2 -3,-0.1 0.809 106.3 42.2 -63.5 -27.9 55.1 46.3 21.1 205 216 A K H <4 S+ 0 0 3 -3,-1.8 25,-0.3 -5,-0.2 -1,-0.3 0.549 117.7 46.6 -95.3 -10.8 53.0 44.8 23.9 206 217 A V H XX S+ 0 0 8 -3,-0.8 4,-1.3 -4,-0.6 3,-1.0 0.818 97.8 68.5 -91.5 -43.7 50.4 43.2 21.6 207 218 A A H 3X S+ 0 0 2 -4,-2.6 4,-2.9 1,-0.3 5,-0.2 0.723 87.3 64.3 -55.7 -35.6 52.6 41.5 19.0 208 219 A P H 3> S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.895 107.2 42.8 -56.7 -46.4 54.2 38.8 21.2 209 220 A L H <> S+ 0 0 1 -3,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.812 114.0 52.6 -66.1 -36.5 50.8 37.1 21.7 210 221 A V H X S+ 0 0 0 -4,-1.3 4,-0.9 2,-0.2 -1,-0.2 0.887 111.9 45.0 -66.1 -44.3 50.0 37.5 18.0 211 222 A L H >< S+ 0 0 6 -4,-2.9 3,-0.6 1,-0.2 4,-0.2 0.930 113.8 50.4 -63.2 -47.6 53.3 35.9 17.0 212 223 A Y H >< S+ 0 0 7 -4,-2.4 3,-1.2 1,-0.3 6,-0.5 0.883 111.0 47.1 -58.2 -42.9 52.8 33.1 19.6 213 224 A L H 3< S+ 0 0 2 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.694 110.5 55.9 -75.1 -17.1 49.3 32.4 18.4 214 225 A S T << S+ 0 0 2 -4,-0.9 -1,-0.3 -3,-0.6 2,-0.2 0.333 93.3 95.3 -92.5 2.9 50.6 32.4 14.8 215 226 A S S < S- 0 0 2 -3,-1.2 3,-0.5 -4,-0.2 -210,-0.1 -0.580 80.9-120.4-101.0 159.4 53.3 29.8 15.4 216 227 A A S S+ 0 0 52 -212,-0.5 -1,-0.1 1,-0.2 -211,-0.1 0.810 111.7 62.0 -62.0 -30.4 53.5 26.0 14.9 217 228 A E S S+ 0 0 93 -213,-0.3 -1,-0.2 -5,-0.0 2,-0.1 0.865 81.6 100.3 -67.9 -34.7 54.2 25.6 18.6 218 229 A N + 0 0 0 -3,-0.5 -42,-0.1 -6,-0.5 -5,-0.0 -0.307 41.6 174.0 -54.5 124.7 50.8 27.1 19.5 219 230 A E + 0 0 137 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.492 44.6 110.3-104.1 -14.2 48.1 24.5 20.4 220 231 A L + 0 0 40 -44,-0.1 2,-0.3 2,-0.0 -2,-0.0 -0.446 42.3 169.0 -69.7 136.2 45.4 27.0 21.5 221 232 A T + 0 0 40 -2,-0.2 -43,-0.2 -45,-0.1 3,-0.1 -0.998 52.9 20.0-150.4 144.6 42.4 27.2 19.1 222 233 A G S S+ 0 0 8 -45,-3.1 2,-0.2 -2,-0.3 -44,-0.2 0.592 93.2 130.0 78.8 13.8 38.9 28.8 19.2 223 234 A Q - 0 0 60 -46,-0.4 -44,-2.5 -60,-0.1 2,-0.3 -0.592 48.7-145.0-114.0 155.3 40.0 31.1 22.0 224 235 A F E -fG 179 235A 5 11,-0.6 11,-2.3 -2,-0.2 2,-0.4 -0.875 15.6-166.8-115.5 149.7 39.8 34.9 22.8 225 236 A F E -fG 180 234A 1 -46,-1.4 -44,-2.2 -2,-0.3 2,-0.3 -0.999 17.6-140.8-142.2 135.0 42.4 37.0 24.7 226 237 A E E -fG 181 233A 3 7,-2.6 7,-2.1 -2,-0.4 2,-0.3 -0.724 27.4-176.4 -84.8 143.6 42.5 40.5 26.2 227 238 A V E +fG 182 232A 1 -46,-1.0 -44,-1.7 -2,-0.3 2,-0.2 -0.971 14.0 143.3-152.6 124.6 45.9 42.2 25.7 228 239 A A E > - G 0 231A 3 3,-2.1 3,-2.3 -2,-0.3 -27,-0.2 -0.747 65.3 -25.1-174.9 114.7 47.1 45.5 27.0 229 240 A A T 3 S- 0 0 5 -29,-0.5 -28,-0.2 1,-0.3 3,-0.1 0.752 129.9 -31.3 57.1 37.6 50.3 47.1 28.3 230 241 A G T 3 S+ 0 0 0 1,-0.4 311,-2.5 -25,-0.3 -1,-0.3 0.106 115.0 114.6 104.8 -20.4 52.1 44.0 29.5 231 242 A F E < +GH 228 540A 0 -3,-2.3 -3,-2.1 309,-0.2 -1,-0.4 -0.615 35.7 173.3 -84.2 141.1 48.8 42.2 30.4 232 243 A Y E +GH 227 539A 0 307,-1.7 307,-2.8 -2,-0.3 2,-0.3 -0.954 7.7 159.8-146.5 125.5 47.6 39.0 28.6 233 244 A A E -G 226 0A 0 -7,-2.1 -7,-2.6 -2,-0.3 2,-0.2 -0.995 36.3-122.2-149.2 141.6 44.6 36.9 29.7 234 245 A Q E -G 225 0A 17 324,-2.7 302,-2.9 -2,-0.3 2,-0.4 -0.585 25.6-158.8 -79.9 145.0 42.3 34.4 28.1 235 246 A I E +GI 224 535A 1 -11,-2.3 -11,-0.6 300,-0.2 2,-0.2 -0.990 16.9 169.6-131.5 129.4 38.6 35.3 28.1 236 247 A R E - 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