==== 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 04-DEC-98 2HDH . COMPND 2 MOLECULE: L-3-HYDROXYACYL COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.BARYCKI,J.M.BRATT,L.J.BANASZAK . 584 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 441 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 38 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 39.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.7 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 1 0 0 4 0 0 1 5 4 2 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 4 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 2 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 12 A K 0 0 171 0, 0.0 2,-0.5 0, 0.0 168,-0.0 0.000 360.0 360.0 360.0 162.0 20.6 59.9 27.3 2 13 A I - 0 0 65 167,-0.1 2,-0.4 116,-0.1 0, 0.0 -0.956 360.0-150.1-120.7 107.6 21.7 56.7 25.6 3 14 A I - 0 0 125 -2,-0.5 2,-0.4 1,-0.1 170,-0.0 -0.663 20.3-116.1 -84.0 128.6 21.1 53.6 27.7 4 15 A V + 0 0 7 -2,-0.4 3,-0.1 169,-0.3 -1,-0.1 -0.460 52.0 146.8 -66.1 117.8 23.5 50.7 27.2 5 16 A K + 0 0 126 -2,-0.4 24,-2.9 1,-0.3 2,-0.5 0.632 62.0 52.6-119.6 -37.5 21.7 47.7 25.8 6 17 A H E -a 29 0A 33 22,-0.2 85,-2.1 24,-0.0 86,-1.2 -0.919 67.5-173.0-108.3 126.1 24.2 46.0 23.6 7 18 A V E -ab 30 92A 0 22,-3.0 24,-2.1 -2,-0.5 2,-0.7 -0.967 14.1-156.4-123.2 131.4 27.6 45.2 25.1 8 19 A T E -ab 31 93A 0 84,-3.3 86,-2.7 -2,-0.4 2,-0.7 -0.915 13.1-164.1-105.3 116.2 30.7 43.9 23.3 9 20 A V E -ab 32 94A 0 22,-2.6 24,-3.2 -2,-0.7 2,-0.7 -0.889 2.0-159.5-105.9 115.4 33.0 42.1 25.7 10 21 A I E +ab 33 95A 9 84,-2.3 86,-3.5 -2,-0.7 24,-0.2 -0.822 62.7 41.7 -99.6 113.5 36.5 41.5 24.4 11 22 A G - 0 0 5 22,-3.3 23,-0.2 -2,-0.7 22,-0.1 0.230 57.4-151.6 120.2 114.5 38.4 38.8 26.2 12 23 A G + 0 0 5 4,-0.2 22,-0.1 20,-0.1 85,-0.1 0.191 61.6 111.6 -98.0 16.7 36.9 35.5 27.2 13 24 A G S > S- 0 0 42 83,-0.4 4,-2.8 4,-0.1 5,-0.4 0.123 90.9 -63.2 -74.4-166.8 39.2 35.0 30.2 14 25 A L H > S+ 0 0 121 1,-0.2 4,-1.1 2,-0.2 138,-0.2 0.894 135.8 32.7 -44.5 -56.2 38.5 35.0 33.9 15 26 A X H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.1 -1,-0.2 0.936 119.7 49.6 -71.9 -49.8 37.4 38.7 34.0 16 27 A G H > S+ 0 0 0 80,-0.4 4,-2.6 1,-0.2 5,-0.2 0.918 109.7 49.5 -57.8 -48.8 35.8 38.9 30.5 17 28 A A H X S+ 0 0 15 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.891 112.3 50.1 -59.0 -39.5 33.6 35.8 30.8 18 29 A G H X S+ 0 0 6 -4,-1.1 4,-2.5 -5,-0.4 5,-0.2 0.917 109.3 50.5 -65.3 -43.4 32.4 37.0 34.1 19 30 A I H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.919 111.9 47.8 -60.3 -44.0 31.6 40.5 32.7 20 31 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.895 110.6 53.1 -64.0 -39.5 29.6 38.9 29.8 21 32 A Q H X S+ 0 0 17 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.942 111.7 43.0 -62.3 -50.2 27.8 36.6 32.2 22 33 A V H X S+ 0 0 15 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.863 113.9 51.3 -65.9 -37.3 26.6 39.4 34.5 23 34 A A H <>S+ 0 0 0 -4,-2.2 5,-2.4 -5,-0.2 3,-0.3 0.932 113.7 43.9 -66.2 -43.9 25.6 41.7 31.6 24 35 A A H ><5S+ 0 0 5 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.771 109.8 56.4 -71.3 -27.9 23.6 39.0 29.9 25 36 A A H 3<5S+ 0 0 50 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.765 106.0 52.2 -75.2 -24.7 22.0 37.9 33.2 26 37 A T T 3<5S- 0 0 55 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.090 129.1 -88.9-100.0 21.7 20.7 41.5 33.7 27 38 A G T < 5S+ 0 0 63 -3,-0.9 2,-0.3 1,-0.3 -3,-0.2 0.588 81.5 134.2 87.8 9.0 19.0 41.8 30.3 28 39 A H < - 0 0 7 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.3 -0.696 57.4-121.4 -93.1 148.2 21.9 43.2 28.1 29 40 A T E -a 6 0A 73 -24,-2.9 -22,-3.0 -2,-0.3 2,-0.4 -0.782 39.1-160.4 -86.7 125.0 22.5 41.7 24.7 30 41 A V E -ac 7 77A 1 46,-2.7 48,-3.0 -2,-0.6 2,-0.5 -0.874 26.3-169.6-119.7 143.3 26.1 40.5 24.7 31 42 A V E -ac 8 78A 8 -24,-2.1 -22,-2.6 -2,-0.4 2,-0.5 -0.978 17.7-155.9-123.6 112.2 28.8 39.6 22.1 32 43 A L E -ac 9 79A 0 46,-3.1 48,-2.0 -2,-0.5 2,-0.4 -0.797 14.0-162.4 -90.9 129.8 31.8 37.8 23.7 33 44 A V E +ac 10 80A 6 -24,-3.2 -22,-3.3 -2,-0.5 2,-0.3 -0.934 21.5 142.4-120.2 136.4 34.9 38.2 21.6 34 45 A D - 0 0 26 46,-1.1 6,-0.1 -2,-0.4 63,-0.0 -0.950 56.1 -91.5-156.5 173.1 38.2 36.3 21.6 35 46 A Q S S+ 0 0 162 -2,-0.3 2,-0.3 1,-0.0 46,-0.1 0.809 98.0 28.3 -63.9 -36.8 40.9 35.0 19.3 36 47 A T > - 0 0 68 1,-0.1 4,-2.6 44,-0.1 5,-0.2 -0.925 68.6-125.2-130.9 155.7 39.6 31.5 18.4 37 48 A E H > S+ 0 0 155 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.795 115.2 53.6 -64.5 -27.0 36.3 29.7 18.1 38 49 A D H > S+ 0 0 102 2,-0.2 4,-3.0 3,-0.2 -1,-0.2 0.951 107.1 47.5 -71.6 -49.8 37.7 27.1 20.5 39 50 A I H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.928 115.8 47.2 -56.1 -45.1 38.7 29.7 23.2 40 51 A L H X S+ 0 0 5 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.908 110.5 50.9 -63.3 -43.0 35.2 31.2 22.8 41 52 A A H X S+ 0 0 55 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.920 111.8 48.4 -60.7 -41.9 33.6 27.8 23.0 42 53 A K H X S+ 0 0 138 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.909 113.1 47.6 -65.1 -42.5 35.6 27.1 26.2 43 54 A S H X S+ 0 0 15 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.949 113.1 45.7 -64.0 -50.6 34.6 30.5 27.7 44 55 A K H X S+ 0 0 61 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.849 111.0 55.0 -63.2 -31.4 30.9 30.2 27.0 45 56 A K H X S+ 0 0 97 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.905 107.7 49.6 -67.4 -38.7 31.0 26.7 28.3 46 57 A G H X S+ 0 0 35 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.816 107.7 53.9 -67.7 -31.4 32.5 28.0 31.5 47 58 A I H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.895 109.0 49.4 -68.5 -39.8 29.8 30.6 31.7 48 59 A E H X S+ 0 0 41 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.933 108.5 51.3 -64.4 -48.1 27.2 27.8 31.4 49 60 A E H X S+ 0 0 120 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.831 112.8 47.5 -58.8 -33.7 28.8 25.7 34.1 50 61 A S H X S+ 0 0 42 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.892 112.4 48.2 -74.7 -41.4 28.7 28.8 36.4 51 62 A L H X S+ 0 0 3 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.894 111.6 49.6 -66.0 -42.0 25.1 29.6 35.6 52 63 A R H X S+ 0 0 88 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.806 108.8 52.8 -67.5 -30.3 24.0 26.1 36.2 53 64 A K H X S+ 0 0 165 -4,-1.1 4,-0.8 -5,-0.3 -1,-0.2 0.864 112.4 44.9 -72.6 -35.2 25.8 26.0 39.5 54 65 A V H X S+ 0 0 69 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.806 112.8 54.0 -74.7 -30.7 24.0 29.2 40.5 55 66 A A H X S+ 0 0 7 -4,-1.9 4,-3.7 2,-0.2 -2,-0.2 0.940 102.4 53.6 -68.5 -51.0 20.7 27.7 39.2 56 67 A K H < S+ 0 0 138 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.802 116.2 42.3 -55.6 -30.3 20.9 24.5 41.2 57 68 A K H < S+ 0 0 185 -4,-0.8 3,-0.4 -5,-0.2 -1,-0.2 0.865 122.0 36.6 -86.1 -38.9 21.2 26.6 44.3 58 69 A K H < S+ 0 0 146 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.895 126.4 35.4 -81.5 -42.1 18.7 29.3 43.4 59 70 A F S >< S+ 0 0 48 -4,-3.7 3,-2.1 -5,-0.2 7,-0.4 -0.127 72.1 129.6-105.1 38.7 16.0 27.1 41.7 60 71 A A T 3 S+ 0 0 59 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.814 74.0 56.8 -58.7 -30.1 16.4 24.0 43.8 61 72 A E T 3 S+ 0 0 180 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.401 123.5 20.6 -83.2 2.2 12.6 24.1 44.3 62 73 A N X> - 0 0 79 -3,-2.1 4,-1.8 -6,-0.1 3,-0.9 -0.351 60.1-176.4-169.7 79.7 12.1 24.0 40.5 63 74 A P H 3> S+ 0 0 81 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.826 87.5 61.5 -51.0 -33.5 14.9 22.7 38.3 64 75 A K H 3> S+ 0 0 135 2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.927 104.0 48.0 -59.3 -45.7 12.8 23.5 35.2 65 76 A A H <> S+ 0 0 21 -3,-0.9 4,-2.4 1,-0.2 3,-0.3 0.929 110.1 52.2 -60.1 -46.7 12.7 27.2 36.2 66 77 A G H X S+ 0 0 2 -4,-1.8 4,-1.9 -7,-0.4 -1,-0.2 0.800 107.3 53.4 -60.8 -29.6 16.5 27.1 36.7 67 78 A D H X S+ 0 0 73 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.838 108.9 48.2 -74.6 -32.5 16.9 25.6 33.3 68 79 A E H X S+ 0 0 113 -4,-1.6 4,-2.9 -3,-0.3 5,-0.2 0.903 110.1 52.4 -71.4 -43.0 14.9 28.5 31.7 69 80 A F H X S+ 0 0 50 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.938 114.0 42.9 -56.2 -50.0 16.9 31.0 33.6 70 81 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.928 115.3 48.1 -64.1 -48.0 20.2 29.5 32.3 71 82 A A H X S+ 0 0 56 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.887 111.9 50.0 -61.2 -41.4 19.0 29.0 28.8 72 83 A K H X S+ 0 0 156 -4,-2.9 4,-0.9 2,-0.2 -1,-0.2 0.915 114.8 42.8 -64.1 -45.4 17.6 32.6 28.5 73 84 A T H < S+ 0 0 11 -4,-2.1 3,-0.4 -5,-0.2 -2,-0.2 0.897 114.7 50.1 -68.1 -41.1 20.8 34.2 29.8 74 85 A L H >< S+ 0 0 24 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.795 104.3 60.0 -68.9 -28.8 23.0 31.9 27.7 75 86 A S H 3< S+ 0 0 87 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.794 95.8 60.3 -72.8 -28.3 21.0 32.7 24.6 76 87 A T T 3< S+ 0 0 49 -4,-0.9 -46,-2.7 -3,-0.4 2,-0.5 0.077 87.9 88.6 -87.9 27.0 21.7 36.5 24.7 77 88 A I E < -c 30 0A 0 -3,-1.0 -46,-0.2 -48,-0.2 -1,-0.1 -0.831 56.5-179.3-126.6 93.6 25.5 35.8 24.5 78 89 A A E -c 31 0A 52 -48,-3.0 -46,-3.1 -2,-0.5 2,-0.4 -0.385 16.1-140.8 -83.2 168.4 26.7 35.7 20.9 79 90 A T E +c 32 0A 63 -48,-0.2 2,-0.3 -2,-0.1 -46,-0.2 -0.999 21.8 171.2-136.2 137.3 30.4 35.0 20.1 80 91 A S E -c 33 0A 29 -48,-2.0 -46,-1.1 -2,-0.4 3,-0.1 -0.990 28.8-147.7-142.8 146.9 32.6 36.5 17.4 81 92 A T S S+ 0 0 76 -2,-0.3 2,-0.5 1,-0.2 -48,-0.1 0.613 91.7 49.8 -90.5 -14.4 36.4 36.3 16.7 82 93 A D > - 0 0 63 1,-0.1 3,-1.8 -49,-0.0 -1,-0.2 -0.929 64.3-165.1-129.0 107.8 36.7 39.8 15.3 83 94 A A G >> S+ 0 0 4 -2,-0.5 3,-2.5 1,-0.3 4,-1.9 0.822 85.3 71.0 -58.4 -34.7 35.1 42.6 17.4 84 95 A A G 34 S+ 0 0 7 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.692 89.4 65.4 -57.0 -18.3 35.3 45.0 14.5 85 96 A S G <4 S+ 0 0 79 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.551 114.7 24.9 -82.9 -8.7 32.5 43.0 12.9 86 97 A V T X4 S+ 0 0 26 -3,-2.5 3,-1.5 -4,-0.2 -2,-0.2 0.567 96.9 83.7-129.7 -15.4 30.0 43.9 15.5 87 98 A V G >< S+ 0 0 0 -4,-1.9 29,-1.4 1,-0.3 3,-1.2 0.648 72.0 80.3 -69.4 -12.1 30.9 47.2 17.2 88 99 A H G 3 S+ 0 0 137 27,-0.3 -1,-0.3 -4,-0.3 29,-0.1 0.705 108.8 29.4 -66.3 -15.5 29.3 49.3 14.4 89 100 A S G < S+ 0 0 89 -3,-1.5 -1,-0.3 27,-0.1 2,-0.2 0.120 99.5 105.4-129.5 23.1 26.0 48.5 16.3 90 101 A T < - 0 0 0 -3,-1.2 26,-0.3 1,-0.1 -83,-0.2 -0.634 54.4-152.4-100.9 160.8 27.2 48.1 19.9 91 102 A D S S+ 0 0 31 -85,-2.1 29,-1.9 1,-0.3 2,-0.3 0.683 79.1 18.8-103.0 -24.5 26.7 50.7 22.8 92 103 A L E -bd 7 120A 0 -86,-1.2 -84,-3.3 27,-0.2 2,-0.5 -0.987 56.8-156.9-151.9 137.6 29.7 49.7 24.9 93 104 A V E -bd 8 121A 0 27,-2.6 29,-2.9 -2,-0.3 2,-0.6 -0.971 10.9-170.1-114.7 122.4 33.0 47.9 24.4 94 105 A V E -bd 9 122A 0 -86,-2.7 -84,-2.3 -2,-0.5 2,-0.4 -0.959 10.8-157.0-115.1 112.2 34.5 46.5 27.6 95 106 A E E +bd 10 123A 1 27,-2.9 29,-2.5 -2,-0.6 30,-0.2 -0.767 25.7 160.8 -94.8 132.2 38.0 45.2 27.0 96 107 A A + 0 0 18 -86,-3.5 -80,-0.4 -2,-0.4 -83,-0.4 -0.376 31.7 128.7-144.6 57.7 39.6 42.6 29.2 97 108 A I - 0 0 42 1,-0.3 3,-0.1 -86,-0.1 7,-0.1 -0.387 66.4 -34.8-104.6-175.6 42.5 41.1 27.2 98 109 A V - 0 0 93 1,-0.2 2,-2.2 -2,-0.1 -1,-0.3 -0.002 66.4-108.6 -42.6 140.6 46.2 40.5 28.0 99 110 A E S S+ 0 0 51 -3,-0.1 2,-0.4 4,-0.1 -1,-0.2 -0.458 76.1 121.4 -76.7 71.6 47.7 43.2 30.2 100 111 A N > - 0 0 70 -2,-2.2 4,-2.2 1,-0.1 5,-0.2 -0.974 54.0-149.7-140.4 122.5 49.9 44.8 27.5 101 112 A L H > S+ 0 0 65 -2,-0.4 4,-2.8 1,-0.2 5,-0.3 0.928 96.8 50.2 -55.8 -53.7 49.7 48.5 26.4 102 113 A K H > S+ 0 0 160 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.925 111.6 48.2 -53.5 -49.5 50.7 48.0 22.8 103 114 A V H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.932 113.6 46.8 -58.4 -48.3 48.2 45.2 22.2 104 115 A K H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.928 112.1 50.2 -59.3 -49.4 45.3 47.2 23.8 105 116 A N H X S+ 0 0 38 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.894 110.3 49.6 -58.4 -41.2 46.1 50.3 21.9 106 117 A E H X S+ 0 0 134 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.900 111.6 51.2 -65.0 -39.3 46.3 48.4 18.6 107 118 A L H X S+ 0 0 38 -4,-2.1 4,-2.1 -5,-0.2 3,-0.3 0.974 115.8 38.1 -60.8 -57.8 42.9 46.9 19.4 108 119 A F H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.775 108.5 63.0 -67.0 -28.8 41.1 50.2 20.2 109 120 A K H < S+ 0 0 119 -4,-2.4 4,-0.3 -5,-0.3 -1,-0.2 0.917 112.4 38.1 -61.7 -40.2 42.9 52.1 17.4 110 121 A R H >< S+ 0 0 98 -4,-1.5 3,-1.1 -3,-0.3 4,-0.4 0.852 113.1 53.3 -79.1 -38.6 41.2 49.7 15.0 111 122 A L H >X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 3,-1.5 0.823 95.3 71.9 -66.7 -29.5 37.8 49.4 16.7 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43.0 57.7 36.3 191 202 A T > - 0 0 31 -2,-2.5 3,-2.1 318,-0.1 7,-0.1 -0.864 65.8 -77.0-118.1 153.7 45.7 57.1 38.9 192 203 A P T 3 S+ 0 0 66 0, 0.0 -65,-0.1 0, 0.0 -63,-0.1 -0.250 117.1 4.3 -53.6 120.7 47.8 53.9 39.5 193 204 A G T 3>>S- 0 0 1 -67,-0.5 5,-1.1 -65,-0.1 4,-0.7 0.204 91.4-139.9 89.5 -15.4 45.8 51.3 41.4 194 205 A F T <45 - 0 0 4 -3,-2.1 -5,-0.1 3,-0.2 315,-0.0 -0.433 58.9 -46.5 59.0-125.1 42.7 53.4 41.3 195 206 A I T >5S+ 0 0 0 -2,-0.2 4,-1.6 3,-0.1 5,-0.3 0.863 132.8 40.8-102.7 -66.7 41.2 52.9 44.8 196 207 A V H >>5S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 3,-0.7 0.929 121.2 38.0 -51.4 -61.5 41.2 49.2 45.9 197 208 A N H 3X5S+ 0 0 23 -4,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.805 110.9 61.4 -64.6 -28.7 44.6 48.0 44.6 198 209 A R H 34 S+ 0 0 15 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.851 111.3 51.8 -59.7 -31.8 51.0 48.1 49.2 203 214 A Y H > S+ 0 0 9 -4,-0.4 4,-2.1 -3,-0.4 -2,-0.2 0.932 106.8 51.5 -68.2 -46.8 49.5 46.6 52.4 204 215 A L H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.907 109.4 51.9 -56.9 -41.6 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-266,-0.2 -0.984 36.0-109.4-155.8 148.9 55.6 39.1 67.3 483 200 B K E -p 456 0C 121 -268,-1.6 2,-2.7 -2,-0.3 -26,-0.2 -0.279 49.8 -86.9 -75.5 166.5 59.0 40.8 68.1 484 201 B D S S+ 0 0 26 -28,-0.8 -59,-0.2 -29,-0.1 -1,-0.1 -0.349 80.1 137.0 -74.9 64.6 59.2 44.1 69.9 485 202 B T > - 0 0 30 -2,-2.7 3,-2.1 -270,-0.1 7,-0.1 -0.798 65.5 -81.9-110.2 153.0 58.9 46.2 66.7 486 203 B P T 3 S+ 0 0 51 0, 0.0 -65,-0.1 0, 0.0 -1,-0.1 -0.280 116.0 9.0 -55.8 129.9 56.8 49.3 66.3 487 204 B G T 3>>S- 0 0 2 -67,-0.6 5,-1.9 4,-0.1 4,-0.5 0.261 91.3-143.1 84.3 -13.3 53.1 48.5 65.5 488 205 B F T <45 - 0 0 2 -3,-2.1 -5,-0.1 3,-0.2 -273,-0.0 -0.349 57.8 -46.8 54.7-122.7 53.7 44.8 66.3 489 206 B I T >5S+ 0 0 0 3,-0.1 4,-1.5 -2,-0.1 5,-0.2 0.829 132.3 39.0-105.5 -65.0 51.5 43.1 63.7 490 207 B V H >>5S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 3,-0.8 0.951 122.0 36.2 -54.5 -64.7 48.0 44.6 63.5 491 208 B N H 3X5S+ 0 0 26 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.870 112.4 61.0 -60.0 -37.0 48.6 48.3 63.9 492 209 B R H 34 S+ 0 0 8 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.867 110.7 52.7 -50.9 -37.0 49.8 53.0 57.6 497 214 B Y H > S+ 0 0 10 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.910 108.6 49.5 -63.6 -43.2 47.0 51.7 55.3 498 215 B L H X S+ 0 0 4 -4,-2.0 4,-1.8 -3,-0.4 -1,-0.2 0.863 109.2 51.7 -64.1 -37.8 44.5 54.1 57.0 499 216 B X H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.885 108.2 52.4 -66.6 -37.5 47.0 57.0 56.5 500 217 B E H X S+ 0 0 16 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.895 105.3 54.6 -65.2 -36.6 47.2 56.0 52.8 501 218 B A H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.908 109.8 47.7 -62.4 -39.8 43.4 56.1 52.6 502 219 B I H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.914 109.3 52.1 -67.2 -43.4 43.5 59.7 53.9 503 220 B R H X S+ 0 0 32 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.825 105.5 55.5 -63.3 -30.6 46.3 60.8 51.5 504 221 B L H <>S+ 0 0 0 -4,-1.8 5,-1.9 2,-0.2 6,-0.5 0.899 111.6 44.7 -67.0 -39.5 44.3 59.4 48.5 505 222 B Y H ><5S+ 0 0 82 -4,-1.4 3,-1.7 1,-0.2 -2,-0.2 0.924 111.5 50.8 -69.0 -47.5 41.4 61.6 49.7 506 223 B E H 3<5S+ 0 0 68 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.780 104.9 59.3 -61.6 -26.4 43.6 64.7 50.3 507 224 B R T 3<5S- 0 0 106 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.627 113.8-123.2 -77.4 -13.0 45.0 64.2 46.8 508 225 B G T < 5S+ 0 0 40 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.629 73.4 129.3 80.2 14.4 41.5 64.6 45.5 509 226 B D S - 0 0 41 -324,-0.3 4,-2.1 -2,-0.3 5,-0.2 -0.335 34.1-117.2 -76.0 161.1 35.6 60.9 47.9 512 229 B K H > S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 18,-0.3 0.919 115.3 54.9 -62.0 -43.1 35.7 59.5 51.5 513 230 B E H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.886 109.1 45.0 -58.2 -46.3 32.4 57.8 50.8 514 231 B D H > S+ 0 0 38 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.899 111.5 53.0 -67.2 -40.9 33.6 55.9 47.7 515 232 B I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.945 111.1 47.0 -60.4 -45.6 36.9 54.9 49.4 516 233 B D H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.941 114.8 46.0 -60.3 -46.7 34.9 53.4 52.3 517 234 B T H X>S+ 0 0 27 -4,-2.4 4,-2.6 1,-0.2 5,-0.6 0.898 109.8 56.3 -62.7 -39.2 32.5 51.6 49.9 518 235 B A H X>S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 5,-0.5 0.920 110.2 42.4 -58.4 -48.5 35.5 50.4 47.8 519 236 B X H X5S+ 0 0 0 -4,-2.2 6,-2.2 3,-0.2 4,-0.8 0.796 116.6 47.8 -73.4 -28.4 37.2 48.7 50.7 520 237 B K H X5S+ 0 0 64 -4,-1.8 4,-0.7 4,-0.2 -2,-0.2 0.964 125.9 26.2 -75.9 -53.3 34.0 47.2 52.1 521 238 B L H <5S+ 0 0 64 -4,-2.6 -364,-0.3 -5,-0.2 -365,-0.2 0.881 131.7 40.6 -76.4 -39.6 32.6 45.8 48.9 522 239 B G H < - 0 0 0 -2,-0.3 4,-2.6 1,-0.1 5,-0.3 -0.309 43.5-100.1 -69.7 160.9 35.7 51.6 55.3 529 246 B P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.847 121.8 44.4 -54.1 -37.9 39.0 53.3 56.3 530 247 B F H > S+ 0 0 0 -18,-0.3 4,-2.0 2,-0.2 51,-0.3 0.853 112.3 50.8 -77.2 -32.6 37.3 56.6 57.4 531 248 B E H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 115.1 45.2 -67.0 -42.6 34.6 54.9 59.3 532 249 B L H X S+ 0 0 31 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.829 107.9 56.9 -68.9 -35.1 37.3 52.9 61.1 533 250 B L H X S+ 0 0 0 -4,-1.8 4,-0.7 -5,-0.3 -1,-0.2 0.918 111.1 43.7 -62.8 -41.7 39.4 56.0 61.6 534 251 B D H < S+ 0 0 1 -4,-2.0 41,-1.4 1,-0.2 42,-0.5 0.898 112.0 54.1 -68.2 -40.4 36.5 57.6 63.5 535 252 B Y H < S+ 0 0 103 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.861 113.4 40.3 -62.5 -39.3 35.8 54.4 65.4 536 253 B V H < S- 0 0 61 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.538 123.8 -98.2 -88.8 -7.5 39.4 54.0 66.7 537 254 B G X - 0 0 1 -4,-0.7 4,-2.2 -3,-0.4 37,-0.2 0.561 15.1-130.0 93.5 119.3 39.8 57.7 67.4 538 255 B L H > S+ 0 0 0 35,-2.4 4,-2.7 -4,-0.2 5,-0.2 0.869 110.2 51.1 -67.1 -37.5 41.5 60.2 65.2 539 256 B D H > S+ 0 0 39 34,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.937 109.0 51.0 -65.3 -46.0 43.6 61.5 68.1 540 257 B T H > S+ 0 0 61 1,-0.2 4,-1.8 33,-0.2 -2,-0.2 0.944 112.6 46.6 -55.1 -50.5 44.7 58.0 69.0 541 258 B T H X S+ 0 0 8 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.938 110.3 51.9 -57.4 -51.6 45.8 57.4 65.4 542 259 B K H X S+ 0 0 47 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.894 107.2 54.4 -53.2 -44.2 47.6 60.7 65.1 543 260 B F H X S+ 0 0 103 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.901 109.7 45.9 -58.3 -45.8 49.6 59.9 68.2 544 261 B I H X S+ 0 0 13 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.940 116.1 44.9 -64.4 -48.3 50.8 56.6 66.9 545 262 B V H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.912 110.5 53.4 -64.8 -42.6 51.8 57.9 63.5 546 263 B D H X S+ 0 0 47 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.903 108.3 53.3 -58.7 -38.6 53.5 61.0 65.0 547 264 B G H X S+ 0 0 33 -4,-1.8 4,-1.1 -5,-0.3 -1,-0.2 0.952 109.8 44.5 -60.4 -50.8 55.5 58.7 67.1 548 265 B W H X S+ 0 0 14 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.785 112.7 55.4 -64.4 -25.9 56.7 56.6 64.1 549 266 B H H >< S+ 0 0 42 -4,-2.0 3,-0.6 2,-0.2 -1,-0.2 0.904 106.8 47.2 -72.3 -43.4 57.3 59.9 62.4 550 267 B E H 3< S+ 0 0 177 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.689 112.7 52.2 -70.9 -18.0 59.6 61.2 65.1 551 268 B X H 3< S+ 0 0 95 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.596 134.9 5.3 -91.6 -15.9 61.4 57.9 65.1 552 269 B D X< + 0 0 70 -3,-0.6 3,-0.9 -4,-0.6 6,-0.2 -0.299 66.2 177.5-168.1 65.8 62.0 57.9 61.3 553 270 B A T 3 S+ 0 0 50 1,-0.2 -4,-0.1 -3,-0.2 -3,-0.1 0.430 78.4 66.0 -58.0 2.3 60.9 61.3 59.8 554 271 B E T 3 S+ 0 0 157 -5,-0.1 -1,-0.2 5,-0.0 5,-0.1 0.893 71.4 96.4 -90.5 -49.7 62.1 60.0 56.5 555 272 B N X - 0 0 34 -3,-0.9 3,-1.3 1,-0.2 4,-0.1 -0.182 68.2-145.2 -47.1 120.3 59.7 57.1 55.8 556 273 B P G > S+ 0 0 50 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.632 92.5 70.7 -64.0 -17.3 56.9 58.5 53.6 557 274 B L G 3 S+ 0 0 8 1,-0.2 -58,-0.1 -8,-0.0 -8,-0.1 0.733 99.0 46.6 -73.9 -22.5 54.3 56.3 55.3 558 275 B H G < S+ 0 0 13 -3,-1.3 -1,-0.2 -6,-0.2 -9,-0.1 0.297 78.4 135.7-103.1 7.5 54.5 58.3 58.5 559 276 B Q < - 0 0 69 -3,-0.7 -13,-0.1 -4,-0.1 -5,-0.0 -0.342 63.4-103.9 -59.2 130.9 54.2 61.7 56.9 560 277 B P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.154 27.6-131.3 -56.4 148.5 51.7 63.9 58.8 561 278 B S > - 0 0 1 1,-0.2 4,-2.8 -3,-0.1 5,-0.3 -0.912 4.3-153.6-107.5 116.7 48.3 64.5 57.3 562 279 B P H > S+ 0 0 89 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.919 99.7 47.6 -51.8 -46.1 47.1 68.1 57.1 563 280 B S H > S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.890 111.7 49.5 -62.7 -42.6 43.5 66.9 57.3 564 281 B L H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.897 112.9 47.2 -65.3 -40.9 44.1 64.6 60.2 565 282 B N H X S+ 0 0 49 -4,-2.8 4,-3.4 2,-0.2 -2,-0.2 0.947 109.1 53.4 -66.1 -47.9 45.9 67.3 62.2 566 283 B K H X S+ 0 0 133 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.891 110.4 47.3 -54.7 -43.0 43.2 69.9 61.5 567 284 B L H <>S+ 0 0 26 -4,-1.9 5,-3.2 2,-0.2 -1,-0.2 0.869 114.3 46.2 -67.3 -37.3 40.5 67.5 62.8 568 285 B V H ><5S+ 0 0 24 -4,-1.7 3,-1.2 3,-0.2 -2,-0.2 0.890 110.3 56.1 -70.5 -38.8 42.5 66.6 65.9 569 286 B A H 3<5S+ 0 0 73 -4,-3.4 2,-1.4 1,-0.3 -2,-0.2 0.975 106.6 46.9 -55.6 -61.1 43.2 70.3 66.4 570 287 B E T 3<5S- 0 0 84 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.095 122.7-107.2 -77.5 41.3 39.6 71.3 66.5 571 288 B N T < 5S+ 0 0 111 -2,-1.4 2,-0.7 -3,-1.2 -3,-0.2 0.760 71.6 144.1 35.0 49.8 38.9 68.4 68.9 572 289 B K < + 0 0 57 -5,-3.2 -1,-0.2 1,-0.1 -2,-0.1 -0.818 12.5 163.4-113.7 87.5 37.1 66.2 66.5 573 290 B F - 0 0 45 -2,-0.7 -35,-2.4 1,-0.2 2,-0.4 0.405 48.3-109.5 -86.8 -0.6 38.3 62.7 67.5 574 291 B G B >>>S-Q 579 0D 0 5,-2.7 3,-1.6 -37,-0.2 5,-1.5 -0.862 78.3 -5.2 112.7-146.0 35.7 60.7 65.8 575 292 B K G >45S+ 0 0 111 -41,-1.4 3,-1.7 -2,-0.4 -1,-0.2 0.921 128.4 59.5 -54.7 -47.4 32.8 58.7 67.3 576 293 B K G 345S+ 0 0 123 -42,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.613 115.0 36.1 -60.4 -11.6 34.0 59.4 70.9 577 294 B T G <45S- 0 0 68 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.332 115.5-110.8-119.5 1.4 33.6 63.1 70.3 578 295 B G T <<5S+ 0 0 28 -3,-1.7 6,-3.4 -4,-0.6 2,-0.3 0.361 94.9 55.6 84.0 -6.5 30.6 62.8 68.0 579 296 B E B < +QR 574 583D 46 -5,-1.5 -5,-2.7 4,-0.3 4,-0.2 -0.918 44.3 130.5-163.8 134.0 32.6 63.9 65.0 580 297 B G S S- 0 0 4 2,-2.6 -7,-0.1 -2,-0.3 -6,-0.1 -0.057 94.1 -22.9-141.4-113.2 35.8 62.9 63.1 581 298 B F S S+ 0 0 17 -51,-0.3 2,-0.3 -2,-0.1 -50,-0.1 0.793 143.1 33.5 -77.0 -27.1 35.8 62.6 59.4 582 299 B Y S S- 0 0 50 -52,-0.2 -2,-2.6 -51,-0.1 2,-0.5 -0.843 89.9-115.6-122.0 160.6 32.0 62.0 59.7 583 300 B K B -R 579 0D 173 -2,-0.3 2,-0.4 -4,-0.2 -4,-0.3 -0.845 31.4-155.6-100.2 130.9 29.5 63.5 62.1 584 301 B Y 0 0 56 -6,-3.4 -10,-0.0 -2,-0.5 0, 0.0 -0.889 360.0 360.0-116.4 141.8 27.8 61.1 64.5 585 302 B K 0 0 160 -2,-0.4 -1,-0.0 -6,-0.0 0, 0.0 0.358 360.0 360.0 34.0 360.0 24.5 61.1 66.4