==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-NOV-07 3B96 . COMPND 2 MOLECULE: VERY LONG-CHAIN SPECIFIC ACYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.P.MCANDREW,Y.WANG,A.W.MOHSEN,M.HE,J.VOCKLEY,J.J.KIM . 554 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25393.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0.4 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 . 21 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 277 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.3 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 1 0 2 1 1 0 1 1 1 0 1 0 0 0 1 0 2 0 0 0 0 1 1 1 0 1 2 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 . 1 2 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 29 A E 0 0 181 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.6 20.4 4.6 68.2 2 30 A S - 0 0 31 1,-0.1 6,-0.0 2,-0.1 0, 0.0 -0.313 360.0-156.1 -62.9 139.7 21.1 7.3 65.6 3 31 A K + 0 0 105 13,-0.1 15,-0.8 14,-0.1 2,-0.4 0.398 59.7 118.1 -90.5 0.9 18.4 8.1 63.1 4 32 A S > - 0 0 0 1,-0.1 4,-2.3 13,-0.1 5,-0.2 -0.549 57.7-152.9 -70.2 122.0 21.1 9.5 60.7 5 33 A F H > S+ 0 0 0 -2,-0.4 4,-2.4 1,-0.2 10,-0.3 0.905 98.6 51.1 -53.8 -45.2 21.4 7.6 57.4 6 34 A A H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.907 108.0 51.2 -67.5 -39.9 25.1 8.7 57.1 7 35 A V H > S+ 0 0 9 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.945 113.6 45.8 -60.1 -48.4 25.8 7.4 60.7 8 36 A G H ><>S+ 0 0 1 -4,-2.3 5,-2.8 1,-0.2 3,-1.1 0.885 105.2 59.1 -59.3 -42.6 24.3 4.0 59.8 9 37 A M H ><5S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.846 99.8 56.1 -68.4 -29.6 25.9 3.5 56.5 10 38 A F H 3<5S+ 0 0 1 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.786 110.3 48.0 -65.7 -25.2 29.4 3.7 58.0 11 39 A K T <<5S- 0 0 18 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.291 122.7-107.9 -95.3 7.4 28.3 0.8 60.2 12 40 A G T < 5S+ 0 0 20 -3,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.720 78.7 133.0 70.7 20.9 26.8 -1.1 57.2 13 41 A Q < - 0 0 62 -5,-2.8 2,-0.8 -6,-0.1 -1,-0.3 -0.713 58.3-135.9-100.4 152.9 23.3 -0.3 58.4 14 42 A L + 0 0 37 -2,-0.3 2,-0.8 -3,-0.1 406,-0.1 -0.833 29.6 172.9-105.6 90.6 20.3 0.9 56.4 15 43 A T + 0 0 21 -2,-0.8 3,-0.2 -10,-0.3 -7,-0.1 -0.866 4.3 166.1-101.6 106.3 18.9 3.6 58.7 16 44 A T >> + 0 0 27 -2,-0.8 4,-2.7 1,-0.2 3,-2.0 0.408 38.2 105.1-111.2 2.3 16.2 5.3 56.6 17 45 A D T 34 S+ 0 0 101 1,-0.3 -1,-0.2 2,-0.2 -13,-0.1 0.837 90.6 40.0 -51.1 -41.9 14.0 7.4 59.0 18 46 A Q T 34 S+ 0 0 21 -15,-0.8 -1,-0.3 -3,-0.2 317,-0.1 0.266 123.5 40.5 -97.5 10.4 15.5 10.6 57.8 19 47 A V T <4 S+ 0 0 1 -3,-2.0 -2,-0.2 1,-0.4 -1,-0.1 0.733 93.2 82.5-121.7 -50.1 15.6 9.6 54.1 20 48 A F S < S+ 0 0 13 -4,-2.7 -1,-0.4 2,-0.1 2,-0.2 -0.930 87.5 28.8-118.3 140.2 12.4 7.7 53.0 21 49 A P S S- 0 0 107 0, 0.0 463,-0.1 0, 0.0 3,-0.1 0.717 104.5-106.6 -75.5 163.4 9.9 8.7 52.3 22 50 A Y - 0 0 9 461,-0.5 -2,-0.1 -2,-0.2 -3,-0.1 -0.361 52.6-105.5 -56.1 121.9 11.2 12.0 50.9 23 51 A P - 0 0 17 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.096 32.5-168.7 -62.5 141.3 10.0 14.4 53.6 24 52 A S + 0 0 83 1,-0.1 3,-0.0 -3,-0.1 0, 0.0 -1.000 16.5 162.6-123.0 127.0 7.2 16.8 53.4 25 53 A V + 0 0 38 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.685 37.0 96.7-116.8 -27.4 7.1 19.3 56.2 26 54 A L - 0 0 46 4,-0.1 2,-0.1 2,-0.1 0, 0.0 -0.497 58.6-143.9 -78.9 130.5 4.9 22.3 55.3 27 55 A N > - 0 0 81 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.296 38.7 -93.3 -72.6 172.0 1.3 22.5 56.5 28 56 A E H > S+ 0 0 171 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 125.8 48.4 -58.5 -42.4 -1.3 24.1 54.1 29 57 A E H > S+ 0 0 141 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.875 110.3 50.5 -65.6 -39.4 -1.0 27.6 55.6 30 58 A Q H > S+ 0 0 54 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.880 110.8 52.0 -63.9 -37.5 2.9 27.5 55.5 31 59 A T H X S+ 0 0 52 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.961 112.2 43.4 -65.4 -51.0 2.6 26.5 51.9 32 60 A Q H X S+ 0 0 90 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.902 112.8 52.4 -61.0 -43.2 0.3 29.4 51.0 33 61 A F H X S+ 0 0 99 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.927 110.3 49.2 -59.0 -46.0 2.3 31.9 53.0 34 62 A L H >X S+ 0 0 18 -4,-2.4 4,-2.6 1,-0.2 3,-1.4 0.922 106.0 56.4 -61.1 -45.1 5.5 30.8 51.2 35 63 A K H 3X S+ 0 0 126 -4,-2.4 4,-1.4 1,-0.3 -1,-0.2 0.905 105.5 51.8 -51.3 -41.8 3.8 31.1 47.8 36 64 A E H 3< S+ 0 0 115 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.580 112.9 45.9 -77.8 -9.1 2.9 34.8 48.6 37 65 A L H S+ 0 0 42 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.867 116.5 51.0 -60.4 -38.2 7.5 39.4 45.4 41 69 A V H X S+ 0 0 15 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.936 112.7 47.0 -64.1 -43.6 11.0 38.2 46.2 42 70 A S H X S+ 0 0 17 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.944 112.6 48.7 -62.7 -49.9 11.4 36.8 42.6 43 71 A R H X S+ 0 0 112 -4,-2.9 4,-3.0 -5,-0.2 5,-0.4 0.886 108.0 56.3 -53.7 -41.1 10.0 40.1 41.1 44 72 A F H X>S+ 0 0 24 -4,-2.1 4,-2.4 1,-0.2 5,-2.1 0.926 111.3 41.6 -61.6 -45.2 12.5 42.1 43.3 45 73 A F H <5S+ 0 0 7 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.862 118.6 47.6 -72.3 -32.7 15.5 40.2 42.0 46 74 A E H <5S+ 0 0 114 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.894 128.2 20.3 -68.3 -40.7 14.1 40.4 38.4 47 75 A E H <5S+ 0 0 143 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.753 132.0 27.4-111.7 -28.3 13.2 44.1 38.4 48 76 A V T <5S+ 0 0 61 -4,-2.4 -3,-0.2 -5,-0.4 16,-0.1 0.863 101.8 70.9-104.5 -55.6 15.1 45.9 41.1 49 77 A N < - 0 0 9 -5,-2.1 11,-0.0 15,-0.1 54,-0.0 -0.366 56.4-164.6 -65.5 143.4 18.4 44.1 41.8 50 78 A D > - 0 0 68 1,-0.1 4,-2.2 -2,-0.0 5,-0.2 -0.907 2.9-170.4-127.5 102.0 21.2 44.3 39.2 51 79 A P H > S+ 0 0 28 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.882 87.4 52.2 -60.7 -38.7 23.9 41.6 39.8 52 80 A A H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.875 110.4 50.1 -66.2 -37.9 26.3 43.0 37.2 53 81 A K H > S+ 0 0 101 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.933 109.7 48.2 -63.3 -48.3 26.0 46.4 38.8 54 82 A N H X>S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 5,-1.5 0.928 112.9 49.8 -59.8 -43.7 26.7 45.2 42.3 55 83 A D H <5S+ 0 0 11 -4,-2.2 3,-0.2 2,-0.2 -1,-0.2 0.927 112.7 46.9 -60.1 -45.4 29.7 43.3 41.1 56 84 A A H <5S+ 0 0 58 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.909 117.5 42.4 -63.2 -44.6 31.0 46.4 39.2 57 85 A L H <5S- 0 0 95 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.634 102.0-132.6 -74.0 -17.5 30.4 48.6 42.2 58 86 A E T <5S+ 0 0 63 -4,-1.6 2,-0.3 -3,-0.2 -3,-0.2 0.837 80.8 63.5 55.5 37.7 31.8 46.1 44.7 59 87 A M S > - 0 0 57 -2,-0.5 4,-2.5 -11,-0.2 3,-0.5 -0.274 28.7-120.9 -53.9 136.7 23.4 49.3 45.2 62 90 A E H 3> S+ 0 0 118 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.838 110.4 52.9 -55.1 -40.5 21.6 51.4 47.9 63 91 A T H 3> S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.924 112.6 45.9 -61.3 -40.9 18.1 51.1 46.4 64 92 A T H <> S+ 0 0 1 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.945 112.1 51.3 -63.4 -46.6 18.5 47.3 46.4 65 93 A W H X S+ 0 0 29 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.960 114.3 42.4 -58.6 -55.6 19.9 47.3 49.9 66 94 A Q H X S+ 0 0 77 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.885 112.2 55.8 -56.9 -42.0 17.0 49.4 51.3 67 95 A G H X S+ 0 0 19 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.878 105.9 50.5 -58.1 -41.4 14.5 47.3 49.2 68 96 A L H X>S+ 0 0 1 -4,-2.6 5,-2.0 2,-0.2 4,-0.7 0.903 108.5 52.0 -62.4 -43.7 15.7 44.1 50.8 69 97 A K H ><5S+ 0 0 44 -4,-1.9 3,-1.4 1,-0.2 5,-0.2 0.960 111.4 47.6 -56.3 -49.8 15.3 45.6 54.3 70 98 A E H 3<5S+ 0 0 165 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.841 106.3 58.6 -57.9 -35.8 11.7 46.5 53.4 71 99 A L H 3<5S- 0 0 56 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.652 115.1-114.1 -69.4 -16.0 11.1 43.1 52.0 72 100 A G T X<5S+ 0 0 19 -3,-1.4 3,-1.8 -4,-0.7 13,-0.3 0.518 73.5 138.1 89.0 8.7 11.9 41.5 55.3 73 101 A A T 3 < + 0 0 12 -5,-2.0 3,-0.5 1,-0.3 -4,-0.2 0.648 62.4 61.2 -66.0 -19.5 15.0 39.8 53.8 74 102 A F T 3 S+ 0 0 0 -6,-0.4 -1,-0.3 64,-0.4 66,-0.2 0.476 113.9 33.8 -81.4 -4.6 17.3 40.5 56.8 75 103 A G X + 0 0 0 -3,-1.8 10,-2.0 63,-0.2 3,-1.3 -0.044 66.2 141.9-143.9 39.5 15.0 38.5 59.2 76 104 A L T 3 S+ 0 0 19 -3,-0.5 11,-2.7 1,-0.3 -1,-0.1 0.812 82.5 33.4 -59.8 -36.7 13.6 35.5 57.3 77 105 A Q T 3 S+ 0 0 26 9,-0.2 -1,-0.3 8,-0.1 7,-0.1 0.319 89.7 110.0-103.7 5.0 13.9 33.0 60.2 78 106 A V S < S- 0 0 0 -3,-1.3 8,-2.1 1,-0.1 9,-0.2 -0.688 81.2-103.5 -77.2 131.1 13.2 35.4 63.1 79 107 A P > > - 0 0 41 0, 0.0 5,-2.0 0, 0.0 3,-1.5 -0.208 26.4-117.3 -53.0 145.5 9.8 34.7 64.7 80 108 A S G > 5S+ 0 0 86 1,-0.3 3,-2.0 3,-0.2 -2,-0.1 0.831 113.6 61.5 -51.9 -36.5 7.1 37.2 63.8 81 109 A E G 3 5S+ 0 0 156 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.752 105.3 47.5 -70.0 -22.0 6.8 38.3 67.4 82 110 A L G < 5S- 0 0 26 -3,-1.5 -1,-0.3 52,-0.1 56,-0.3 0.159 131.2 -95.6 -99.7 15.6 10.4 39.4 67.4 83 111 A G T < 5S+ 0 0 51 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.557 86.5 115.8 89.9 8.6 9.8 41.2 64.1 84 112 A G S - 0 0 24 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.327 39.6 -90.4 -88.4-178.9 11.1 27.4 59.0 89 117 A N H > S+ 0 0 22 244,-0.2 4,-2.7 1,-0.2 245,-0.1 0.891 125.9 50.0 -63.5 -40.9 14.2 25.9 57.4 90 118 A T H > S+ 0 0 17 243,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.894 112.8 45.6 -66.4 -42.7 12.3 24.5 54.4 91 119 A Q H > S+ 0 0 6 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.896 112.9 52.4 -64.0 -40.3 10.5 27.9 53.6 92 120 A Y H X S+ 0 0 6 -4,-2.4 4,-3.0 1,-0.2 3,-0.4 0.920 106.4 53.2 -61.8 -45.4 13.9 29.6 54.1 93 121 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.873 104.7 55.8 -57.4 -40.6 15.5 27.2 51.6 94 122 A R H X S+ 0 0 74 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.844 113.1 39.7 -62.6 -36.2 12.9 28.1 49.0 95 123 A L H >X S+ 0 0 3 -4,-1.4 4,-1.7 -3,-0.4 3,-0.8 0.879 110.4 59.4 -82.0 -38.0 13.6 31.8 49.2 96 124 A V H 3X S+ 0 0 19 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.859 99.4 58.0 -55.1 -39.6 17.4 31.3 49.5 97 125 A E H 3X S+ 0 0 18 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.804 102.0 55.6 -63.6 -26.6 17.3 29.5 46.1 98 126 A I H S+ 0 0 7 -4,-0.2 4,-2.8 2,-0.2 5,-0.2 0.747 89.5 62.8 -71.0 -25.0 25.4 35.3 45.1 105 133 A G H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.949 110.1 39.2 -58.9 -52.9 27.0 38.6 46.2 106 134 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.909 113.4 58.1 -58.2 -46.4 23.7 39.6 47.8 107 135 A G H X S+ 0 0 19 -4,-2.4 4,-2.6 -8,-0.3 5,-0.2 0.919 106.9 46.0 -51.3 -49.7 23.3 36.0 49.0 108 136 A I H X S+ 0 0 24 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.906 111.4 51.9 -64.6 -41.0 26.6 36.1 50.9 109 137 A T H X S+ 0 0 2 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.947 116.4 40.0 -59.9 -48.0 25.8 39.5 52.5 110 138 A L H X S+ 0 0 11 -4,-2.7 4,-2.7 2,-0.2 5,-0.4 0.841 117.9 48.1 -68.4 -35.6 22.3 38.3 53.7 111 139 A G H X>S+ 0 0 16 -4,-2.6 4,-1.6 -5,-0.3 5,-1.5 0.892 108.6 52.2 -74.4 -39.8 23.6 34.9 54.7 112 140 A A H <>S+ 0 0 8 -4,-2.9 5,-1.4 -5,-0.2 -1,-0.2 0.882 113.9 48.0 -56.7 -38.3 26.5 36.3 56.6 113 141 A H H <>S+ 0 0 0 -4,-1.4 5,-1.3 -5,-0.3 6,-0.2 0.979 133.2 7.3 -66.7 -57.7 24.0 38.4 58.4 114 142 A Q H <5S+ 0 0 4 -4,-2.7 -3,-0.2 3,-0.2 -2,-0.2 0.794 121.2 56.8-105.1 -31.3 21.4 35.8 59.2 115 143 A S T <5S- 0 0 16 -4,-1.6 -3,-0.2 -5,-0.4 157,-0.1 0.851 139.0 -8.9 -70.5 -32.4 22.5 32.2 58.5 116 144 A I T >> S+ 0 0 4 1,-0.3 4,-2.1 -6,-0.2 3,-0.2 0.860 72.7 63.1 -49.4 -39.9 22.2 32.8 64.2 120 148 A G H 3X S+ 0 0 0 -4,-0.6 4,-3.1 1,-0.2 5,-0.4 0.847 98.8 55.0 -59.6 -34.0 23.8 32.1 67.6 121 149 A I H <> S+ 0 0 0 -3,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.905 109.2 47.0 -65.8 -39.1 21.2 34.4 69.2 122 150 A L H < S+ 0 0 33 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.889 121.6 37.1 -66.1 -38.0 18.4 32.4 67.6 123 151 A L H < S+ 0 0 64 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.819 137.6 11.0 -83.5 -35.8 20.0 29.1 68.8 124 152 A F H < S+ 0 0 52 -4,-3.1 132,-0.6 -5,-0.2 -3,-0.2 0.329 90.1 127.3-131.0 1.3 21.4 29.9 72.2 125 153 A G < - 0 0 13 -4,-1.5 2,-0.1 -5,-0.4 130,-0.1 -0.364 54.6-127.3 -72.1 142.7 20.0 33.4 73.1 126 154 A T > - 0 0 77 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.355 34.5-102.1 -67.3 164.9 18.3 34.0 76.4 127 155 A K H > S+ 0 0 147 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.902 125.4 52.0 -51.5 -46.3 14.9 35.6 76.3 128 156 A A H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.944 110.9 45.9 -59.6 -50.2 16.5 38.9 77.3 129 157 A Q H > S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.915 114.0 48.8 -60.8 -44.0 19.1 38.7 74.5 130 158 A K H X S+ 0 0 63 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.920 113.4 45.9 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3,-1.2 2,-0.2 4,-0.5 0.865 134.1 59.4 -50.8 -40.4 34.0 32.2 23.1 372 400 A M H X4 S+ 0 0 90 -3,-1.0 3,-1.3 1,-0.2 -1,-0.3 0.828 92.5 65.4 -61.4 -33.5 30.9 34.0 24.3 373 401 A G H <4 S+ 0 0 0 -3,-1.4 8,-0.3 -7,-0.5 -1,-0.2 0.759 100.8 52.5 -59.8 -26.4 31.0 32.2 27.8 374 402 A F H << S+ 0 0 170 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.599 90.4 98.7 -84.8 -14.5 34.3 34.0 28.5 375 403 A M S << S- 0 0 109 -3,-1.3 6,-0.5 -4,-0.5 4,-0.4 -0.372 74.8-131.9 -74.7 151.3 32.8 37.5 27.7 376 404 A K S > S+ 0 0 127 1,-0.2 3,-2.0 2,-0.1 6,-0.3 0.932 95.1 68.3 -70.2 -40.4 31.7 39.8 30.5 377 405 A E T 3 S+ 0 0 187 1,-0.3 -1,-0.2 2,-0.1 -325,-0.1 0.843 91.0 57.7 -54.1 -45.3 28.3 40.7 29.0 378 406 A P T 3 S- 0 0 34 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.722 97.4-138.8 -58.9 -19.1 26.6 37.3 29.3 379 407 A G S <> S+ 0 0 4 -3,-2.0 4,-1.5 -4,-0.4 -2,-0.1 0.420 72.9 109.9 79.4 -2.7 27.2 37.3 33.1 380 408 A V H > S+ 0 0 1 -5,-0.2 4,-2.4 2,-0.2 5,-0.2 0.908 74.9 53.7 -72.2 -40.9 28.2 33.6 33.3 381 409 A E H > S+ 0 0 39 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58 -3,-1.2 6,-2.4 -4,-0.4 -1,-0.3 0.465 116.8 35.3 -84.6 -4.3 34.5 25.5 48.1 392 420 A I T <4 S+ 0 0 79 -3,-2.4 3,-0.3 4,-0.3 -2,-0.2 0.757 103.4 65.9-120.7 -49.5 36.6 27.2 50.8 393 421 A F S < S+ 0 0 51 -4,-2.5 4,-0.0 1,-0.2 0, 0.0 -0.317 91.9 35.9 -82.0 169.1 34.5 29.2 53.3 394 422 A E S S- 0 0 40 -2,-0.1 -1,-0.2 -3,-0.0 -43,-0.0 0.877 145.0 -21.7 53.4 41.4 32.0 27.7 55.8 395 423 A G S S- 0 0 26 -3,-0.3 -2,-0.0 -44,-0.0 -240,-0.0 0.556 86.3-103.1 97.2 114.6 34.5 24.8 56.1 396 424 A T > - 0 0 27 1,-0.1 4,-2.5 4,-0.0 -4,-0.3 -0.368 30.9-120.1 -62.8 150.2 37.0 24.1 53.3 397 425 A N H > S+ 0 0 2 -6,-2.4 4,-2.0 1,-0.2 -1,-0.1 0.833 114.1 56.4 -63.2 -28.1 35.8 21.1 51.3 398 426 A D H > S+ 0 0 114 -7,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.940 110.7 42.9 -62.9 -47.3 39.1 19.3 52.2 399 427 A I H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.871 112.2 53.7 -67.8 -37.9 38.4 19.8 55.9 400 428 A L H X S+ 0 0 8 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.859 105.5 54.3 -66.2 -34.9 34.7 18.8 55.5 401 429 A R H X S+ 0 0 31 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.922 108.9 47.8 -60.2 -46.6 35.8 15.6 53.7 402 430 A L H X S+ 0 0 30 -4,-1.8 4,-3.2 2,-0.2 5,-0.4 0.929 112.9 50.4 -57.8 -45.6 38.0 14.7 56.8 403 431 A F H X S+ 0 0 55 -4,-2.5 4,-3.2 2,-0.2 5,-0.4 0.935 109.9 48.2 -57.0 -50.6 35.0 15.5 59.0 404 432 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.940 117.3 42.9 -56.4 -49.7 32.6 13.4 57.0 405 433 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.950 119.9 39.8 -64.5 -51.0 35.0 10.4 57.1 406 434 A L H X S+ 0 0 47 -4,-3.2 4,-1.5 2,-0.2 -2,-0.2 0.919 116.7 49.8 -69.6 -41.6 36.1 10.7 60.7 407 435 A Q H X S+ 0 0 49 -4,-3.2 4,-0.6 -5,-0.4 3,-0.5 0.945 112.4 48.2 -61.4 -46.5 32.7 11.5 62.0 408 436 A G H X S+ 0 0 2 -4,-2.3 4,-0.7 -5,-0.4 3,-0.2 0.872 111.6 51.0 -56.8 -39.3 31.2 8.6 60.1 409 437 A C H X S+ 0 0 5 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.797 91.9 81.1 -66.8 -28.1 34.0 6.3 61.5 410 438 A M H X S+ 0 0 89 -4,-1.5 4,-2.1 -3,-0.5 -1,-0.2 0.869 94.0 39.3 -55.3 -53.5 33.4 7.4 65.1 411 439 A D H X S+ 0 0 49 -4,-0.6 4,-2.4 -3,-0.2 -1,-0.3 0.845 116.5 51.0 -66.8 -36.2 30.4 5.2 66.0 412 440 A K H X S+ 0 0 23 -4,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.901 110.8 49.9 -65.8 -38.9 31.8 2.2 64.1 413 441 A G H X S+ 0 0 27 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.862 108.1 53.7 -66.6 -36.9 35.1 2.6 66.0 414 442 A K H < S+ 0 0 109 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.976 111.3 45.5 -57.1 -60.3 33.2 2.8 69.3 415 443 A E H < S+ 0 0 91 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.1 0.952 115.2 45.2 -44.4 -63.3 31.5 -0.6 68.5 416 444 A L H < 0 0 63 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.912 360.0 360.0 -48.9 -45.8 34.8 -2.2 67.3 417 445 A S < 0 0 129 -4,-2.8 -3,-0.1 -5,-0.2 -4,-0.1 0.657 360.0 360.0 15.9 360.0 36.3 -0.7 70.5 418 ! 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 0.0 419 479 A L 0 0 108 0, 0.0 2,-0.3 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 132.2 19.8 -5.5 53.6 420 480 A S - 0 0 78 2,-0.1 14,-0.1 -406,-0.1 -406,-0.0 -0.990 360.0-157.7-151.8 144.2 17.1 -4.3 51.3 421 481 A L >> + 0 0 7 -2,-0.3 4,-2.5 9,-0.1 3,-2.3 0.288 55.6 133.7 -95.3 7.2 15.4 -1.0 50.1 422 482 A S T 34 S+ 0 0 105 1,-0.3 -2,-0.1 2,-0.2 4,-0.1 -0.277 71.5 21.2 -55.9 137.1 12.4 -3.1 48.9 423 483 A G T 34 S+ 0 0 75 2,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.316 123.7 60.6 82.3 -12.3 9.2 -1.5 50.1 424 484 A L T <4 S+ 0 0 70 -3,-2.3 -2,-0.2 1,-0.1 2,-0.2 0.772 95.7 56.4-107.2 -51.5 10.9 1.8 50.5 425 485 A V S < S- 0 0 11 -4,-2.5 -2,-0.5 1,-0.1 58,-0.1 -0.510 102.2 -97.5 -71.3 149.4 12.2 2.6 47.0 426 486 A H > - 0 0 35 56,-0.4 3,-2.6 -2,-0.2 7,-0.2 -0.412 32.5-116.0 -64.8 142.0 9.5 2.6 44.3 427 487 A P G > S+ 0 0 100 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.843 115.8 60.9 -52.1 -32.8 9.2 -0.7 42.4 428 488 A E G 3 S+ 0 0 92 1,-0.3 3,-0.2 2,-0.1 -2,-0.0 0.681 108.4 45.3 -67.9 -14.4 10.3 1.0 39.2 429 489 A L G <> S+ 0 0 0 -3,-2.6 4,-2.4 1,-0.1 -1,-0.3 0.135 76.6 114.4-110.1 18.1 13.6 1.9 40.9 430 490 A S H <> S+ 0 0 64 -3,-1.5 4,-2.0 1,-0.2 -9,-0.1 0.848 74.3 53.4 -60.1 -37.1 14.3 -1.4 42.5 431 491 A R H > S+ 0 0 200 -4,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.939 112.3 43.4 -66.7 -45.7 17.4 -2.1 40.4 432 492 A S H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.869 109.7 58.0 -66.9 -34.0 19.0 1.2 41.4 433 493 A G H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.902 107.9 47.3 -57.1 -43.1 17.9 0.6 45.0 434 494 A E H X S+ 0 0 113 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.909 106.6 56.8 -66.7 -42.8 19.9 -2.6 44.9 435 495 A L H X S+ 0 0 53 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.914 109.0 47.7 -49.2 -46.6 22.9 -0.7 43.4 436 496 A A H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.896 110.9 49.6 -64.6 -43.8 22.8 1.5 46.4 437 497 A V H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.914 113.1 46.2 -64.8 -43.5 22.5 -1.4 48.9 438 498 A R H X S+ 0 0 103 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.923 112.2 51.4 -63.2 -43.6 25.5 -3.2 47.3 439 499 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.920 109.6 50.9 -57.0 -44.0 27.5 0.1 47.2 440 500 A L H X S+ 0 0 2 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.913 110.4 48.8 -57.8 -45.0 26.7 0.5 51.0 441 501 A E H X S+ 0 0 66 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.928 112.1 48.3 -61.0 -46.7 27.9 -3.0 51.7 442 502 A Q H X S+ 0 0 71 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.909 114.4 47.4 -58.3 -44.0 31.1 -2.4 49.8 443 503 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.945 111.8 47.5 -66.2 -50.4 31.6 0.9 51.6 444 504 A A H X S+ 0 0 12 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.864 107.4 57.4 -61.6 -37.5 31.0 -0.5 55.1 445 505 A T H X S+ 0 0 73 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.938 109.9 44.5 -58.2 -47.9 33.3 -3.5 54.5 446 506 A V H X S+ 0 0 0 -4,-1.6 4,-3.2 2,-0.2 5,-0.2 0.925 110.5 53.6 -62.3 -47.6 36.2 -1.2 53.7 447 507 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.933 112.0 46.1 -52.0 -48.8 35.4 1.2 56.7 448 508 A E H X S+ 0 0 76 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.952 113.2 48.0 -62.4 -49.4 35.5 -1.8 59.1 449 509 A A H X S+ 0 0 38 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.912 113.6 48.1 -59.3 -43.7 38.7 -3.2 57.6 450 510 A K H X S+ 0 0 19 -4,-3.2 4,-2.8 2,-0.2 5,-0.4 0.844 110.7 49.9 -66.6 -35.1 40.5 0.2 57.8 451 511 A L H X S+ 0 0 14 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.905 112.0 47.8 -70.0 -41.0 39.4 0.9 61.3 452 512 A I H < S+ 0 0 93 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.960 117.2 44.5 -62.0 -48.1 40.6 -2.5 62.5 453 513 A K H < S+ 0 0 125 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.936 129.5 21.1 -59.5 -52.8 43.9 -1.9 60.6 454 514 A H H >< S+ 0 0 39 -4,-2.8 3,-1.5 1,-0.2 -3,-0.2 0.682 80.3 179.5 -96.4 -22.2 44.6 1.7 61.7 455 515 A K G >< S- 0 0 146 -4,-2.5 3,-1.5 -5,-0.4 -1,-0.2 -0.266 74.5 -10.1 51.7-132.2 42.6 2.1 64.8 456 516 A K G > S+ 0 0 191 1,-0.3 3,-1.3 2,-0.1 -1,-0.3 0.754 130.4 70.5 -66.3 -26.6 43.0 5.7 66.3 457 517 A G G X + 0 0 34 -3,-1.5 3,-1.7 1,-0.3 -1,-0.3 0.507 69.9 92.3 -70.6 -4.6 45.8 6.3 63.9 458 518 A I G X S+ 0 0 7 -3,-1.5 3,-1.4 1,-0.3 -1,-0.3 0.759 71.2 74.0 -57.1 -23.1 43.2 6.4 61.1 459 519 A V G < S+ 0 0 75 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.742 96.3 46.9 -62.7 -25.8 43.1 10.2 61.7 460 520 A N G < S+ 0 0 131 -3,-1.7 2,-1.4 1,-0.1 -1,-0.3 0.385 86.1 93.2 -97.5 2.2 46.5 10.6 60.0 461 521 A E <> + 0 0 61 -3,-1.4 4,-2.3 -4,-0.2 5,-0.1 -0.513 47.8 159.2 -93.0 70.2 45.6 8.5 57.0 462 522 A Q H > + 0 0 110 -2,-1.4 4,-2.3 1,-0.2 5,-0.2 0.820 65.4 56.6 -72.7 -32.7 44.4 11.4 54.9 463 523 A F H > S+ 0 0 74 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.948 114.6 42.7 -57.9 -46.7 44.7 9.9 51.4 464 524 A L H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.918 111.5 53.7 -62.8 -47.2 42.3 7.2 52.6 465 525 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.884 106.8 50.8 -63.3 -40.0 40.0 9.5 54.5 466 526 A Q H X S+ 0 0 71 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.914 112.1 48.7 -63.5 -41.1 39.4 11.7 51.4 467 527 A R H X S+ 0 0 64 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.869 110.8 49.1 -65.9 -37.5 38.6 8.6 49.4 468 528 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.907 108.6 54.7 -65.2 -42.6 36.2 7.3 52.1 469 529 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.902 106.2 51.5 -58.2 -42.0 34.5 10.8 52.1 470 530 A D H X S+ 0 0 47 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.892 109.0 50.0 -63.2 -39.7 33.9 10.6 48.4 471 531 A G H X S+ 0 0 5 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.951 111.8 49.0 -58.7 -51.7 32.3 7.2 48.8 472 532 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.898 109.9 52.3 -53.9 -46.2 30.1 8.6 51.6 473 533 A I H X S+ 0 0 10 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.935 112.5 43.3 -57.3 -48.4 29.1 11.6 49.4 474 534 A D H X S+ 0 0 18 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.841 112.4 54.5 -69.9 -33.2 28.1 9.4 46.4 475 535 A L H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.956 111.5 42.8 -67.0 -48.2 26.3 7.0 48.7 476 536 A Y H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.947 112.1 55.3 -60.5 -45.4 24.2 9.8 50.2 477 537 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.3 5,-0.2 0.898 107.5 51.8 -51.1 -43.8 23.6 11.3 46.7 478 538 A M H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.931 112.4 41.0 -62.0 -50.2 22.2 7.9 45.6 479 539 A V H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.838 110.4 59.5 -75.5 -27.2 19.7 7.4 48.3 480 540 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.943 113.1 37.4 -62.0 -46.2 18.6 11.1 48.2 481 541 A V H X S+ 0 0 1 -4,-2.0 4,-2.4 -5,-0.2 5,-0.3 0.831 113.4 56.6 -78.7 -27.8 17.6 10.8 44.5 482 542 A L H X S+ 0 0 0 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