==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-MAY-01 1IL0 . COMPND 2 MOLECULE: 3-HYDROXYACYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.BARYCKI,L.K.O'BRIEN,A.W.STRAUSS,L.J.BANASZAK . 582 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 2.9 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 . 33 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 1 2 0 0 4 0 0 0 5 3 4 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 4 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 . 4 0 1 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 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 0 114 0, 0.0 2,-0.1 0, 0.0 169,-0.1 0.000 360.0 360.0 360.0 78.8 -10.1 16.8 -5.1 2 13 A I - 0 0 39 116,-0.1 2,-0.6 89,-0.1 89,-0.0 -0.369 360.0-132.4 -81.0 160.1 -7.6 15.0 -3.0 3 14 A I - 0 0 119 -2,-0.1 2,-0.5 173,-0.1 3,-0.3 -0.957 22.2-127.8-115.1 115.0 -3.8 15.3 -3.2 4 15 A V + 0 0 10 -2,-0.6 3,-0.1 169,-0.3 86,-0.0 -0.485 54.6 136.4 -64.7 113.8 -2.0 12.0 -3.2 5 16 A K + 0 0 139 -2,-0.5 24,-1.8 1,-0.3 2,-0.6 0.607 64.4 50.4-123.8 -43.8 0.7 12.2 -0.4 6 17 A H E S-a 29 0A 49 -3,-0.3 85,-1.7 22,-0.2 86,-1.0 -0.910 74.3-172.6-102.8 120.3 0.4 8.8 1.3 7 18 A V E -ab 30 92A 0 22,-3.0 24,-2.0 -2,-0.6 2,-0.5 -0.929 16.4-159.1-121.8 139.2 0.5 5.9 -1.1 8 19 A T E -ab 31 93A 0 84,-3.3 86,-2.8 -2,-0.4 2,-0.6 -0.958 8.2-167.5-116.3 114.8 -0.1 2.2 -0.6 9 20 A V E -ab 32 94A 0 22,-1.9 24,-3.0 -2,-0.5 2,-0.7 -0.906 5.3-159.6-105.8 115.3 1.3 -0.1 -3.3 10 21 A I E +ab 33 95A 8 84,-1.5 86,-3.4 -2,-0.6 24,-0.2 -0.845 65.3 42.4 -96.2 114.4 0.0 -3.7 -3.1 11 22 A G - 0 0 5 22,-3.1 23,-0.2 -2,-0.7 22,-0.1 0.236 58.7-154.5 117.2 118.7 2.4 -6.0 -4.9 12 23 A G + 0 0 4 4,-0.2 85,-0.1 20,-0.1 22,-0.1 0.060 57.7 106.8-111.5 26.6 6.2 -5.9 -4.7 13 24 A G S > S- 0 0 45 83,-0.5 4,-1.9 4,-0.1 5,-0.4 0.243 93.2 -47.5 -82.6-151.3 7.1 -7.5 -8.0 14 25 A L H > S+ 0 0 72 1,-0.2 4,-0.5 2,-0.2 138,-0.4 0.859 140.4 28.4 -51.5 -41.3 8.4 -6.1 -11.3 15 26 A M H > S+ 0 0 34 81,-0.2 4,-2.8 2,-0.1 5,-0.3 0.926 117.4 53.6 -89.0 -49.0 5.9 -3.2 -11.3 16 27 A G H > S+ 0 0 0 80,-0.5 4,-3.0 1,-0.2 5,-0.3 0.920 108.0 50.2 -51.5 -52.3 5.1 -2.7 -7.6 17 28 A A H X S+ 0 0 16 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.897 113.9 47.0 -54.6 -42.3 8.7 -2.2 -6.5 18 29 A G H X S+ 0 0 6 -4,-0.5 4,-2.5 -5,-0.4 -1,-0.2 0.889 111.5 48.3 -69.0 -41.7 9.2 0.3 -9.3 19 30 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.926 114.6 47.4 -63.7 -41.6 6.0 2.3 -8.6 20 31 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.3 5,-0.2 0.925 110.8 52.6 -64.1 -43.3 7.0 2.4 -4.9 21 32 A Q H X S+ 0 0 11 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.907 112.9 42.8 -58.2 -46.9 10.5 3.4 -5.9 22 33 A V H X S+ 0 0 13 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.898 113.4 50.3 -69.7 -42.4 9.3 6.3 -8.0 23 34 A A H <>S+ 0 0 0 -4,-2.6 5,-2.2 -5,-0.2 -2,-0.2 0.935 115.7 44.6 -61.4 -43.8 6.6 7.5 -5.6 24 35 A A H ><5S+ 0 0 3 -4,-2.7 3,-1.8 -5,-0.2 -2,-0.2 0.950 110.6 52.5 -64.0 -51.7 9.2 7.5 -2.8 25 36 A A H 3<5S+ 0 0 40 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.777 108.3 53.8 -57.3 -27.5 12.0 9.1 -4.9 26 37 A T T 3<5S- 0 0 54 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.022 128.0 -91.6 -98.8 27.5 9.5 11.9 -5.7 27 38 A G T < 5S+ 0 0 70 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.717 81.1 131.2 77.4 24.0 8.6 12.8 -2.1 28 39 A H < - 0 0 13 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.2 -0.881 58.7-120.9-109.1 142.9 5.6 10.6 -1.4 29 40 A T E -a 6 0A 72 -24,-1.8 -22,-3.0 -2,-0.4 2,-0.4 -0.679 38.6-165.0 -80.7 130.1 5.3 8.4 1.7 30 41 A V E -ac 7 77A 4 46,-2.4 48,-3.7 -2,-0.4 2,-0.5 -0.921 24.0-165.4-124.8 145.1 4.9 4.8 0.6 31 42 A V E -ac 8 78A 18 -24,-2.0 -22,-1.9 -2,-0.4 2,-0.6 -0.974 16.9-154.9-126.5 112.9 3.9 1.5 2.2 32 43 A L E -ac 9 79A 0 46,-3.5 48,-1.7 -2,-0.5 2,-0.4 -0.816 12.6-162.3 -93.6 118.6 4.8 -1.5 0.0 33 44 A V E +ac 10 80A 6 -24,-3.0 -22,-3.1 -2,-0.6 2,-0.3 -0.792 20.4 146.4-105.3 140.1 2.5 -4.5 0.7 34 45 A D - 0 0 25 46,-1.3 49,-0.1 -2,-0.4 63,-0.0 -0.945 53.2 -94.6-156.7 176.8 3.1 -8.1 -0.2 35 46 A Q S S+ 0 0 164 -2,-0.3 2,-0.3 47,-0.1 -1,-0.1 0.898 96.4 22.0 -69.0 -47.3 2.4 -11.6 1.1 36 47 A T > - 0 0 59 1,-0.1 4,-1.7 44,-0.1 44,-0.1 -0.774 69.1-121.8-122.1 169.6 5.6 -12.5 3.1 37 48 A E H > S+ 0 0 114 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.834 112.7 56.0 -76.0 -34.7 8.4 -10.7 4.8 38 49 A D H > S+ 0 0 135 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.903 106.9 50.6 -63.1 -41.4 11.0 -12.5 2.6 39 50 A I H > S+ 0 0 57 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.956 112.5 45.7 -60.1 -51.3 9.3 -11.2 -0.5 40 51 A L H X S+ 0 0 2 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.854 110.1 54.6 -60.0 -37.7 9.3 -7.7 0.9 41 52 A A H X S+ 0 0 59 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.909 111.5 45.1 -63.1 -42.5 12.9 -8.0 1.9 42 53 A K H X S+ 0 0 152 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.928 113.4 49.9 -67.0 -46.3 13.8 -9.0 -1.7 43 54 A S H X S+ 0 0 12 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.965 113.6 42.9 -57.5 -57.3 11.7 -6.2 -3.2 44 55 A K H X S+ 0 0 62 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.826 112.9 55.1 -61.4 -29.9 13.1 -3.4 -1.1 45 56 A K H X S+ 0 0 130 -4,-1.5 4,-2.0 -5,-0.3 3,-0.3 0.953 109.6 47.0 -65.3 -47.7 16.6 -4.9 -1.6 46 57 A G H X S+ 0 0 34 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.881 107.0 55.4 -60.5 -41.2 15.9 -4.7 -5.4 47 58 A I H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.851 106.9 54.0 -60.7 -32.0 14.7 -1.1 -5.1 48 59 A E H X S+ 0 0 63 -4,-1.4 4,-2.7 -3,-0.3 -2,-0.2 0.942 106.2 48.8 -67.2 -50.0 18.0 -0.4 -3.4 49 60 A E H X S+ 0 0 82 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.865 111.6 51.9 -57.9 -36.3 20.1 -1.9 -6.3 50 61 A S H X S+ 0 0 30 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.874 110.4 47.3 -68.3 -38.0 18.0 0.2 -8.7 51 62 A L H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.871 108.1 55.3 -71.3 -37.8 18.6 3.4 -6.7 52 63 A R H X S+ 0 0 80 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.941 105.1 52.9 -60.0 -46.8 22.4 2.7 -6.5 53 64 A K H X S+ 0 0 130 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.925 112.6 45.4 -53.1 -46.4 22.6 2.4 -10.3 54 65 A V H >X S+ 0 0 51 -4,-1.5 4,-3.1 2,-0.2 3,-0.7 0.933 115.8 47.3 -61.1 -48.4 20.9 5.8 -10.5 55 66 A A H 3X S+ 0 0 9 -4,-3.1 4,-4.0 1,-0.2 -2,-0.2 0.973 106.0 54.9 -57.3 -61.7 23.2 7.2 -7.7 56 67 A K H 3< S+ 0 0 162 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.620 120.0 35.2 -50.3 -16.0 26.5 5.9 -9.2 57 68 A K H << S+ 0 0 167 -3,-0.7 3,-0.5 -4,-0.6 -1,-0.2 0.768 123.9 40.0-106.8 -40.5 25.6 7.7 -12.4 58 69 A K H < S+ 0 0 136 -4,-3.1 3,-0.2 1,-0.2 -3,-0.2 0.832 124.1 35.2 -80.7 -34.8 23.8 10.8 -11.1 59 70 A F < + 0 0 51 -4,-4.0 7,-0.3 -5,-0.3 -1,-0.2 -0.428 69.0 130.8-119.9 60.0 26.0 11.6 -8.1 60 71 A A S S+ 0 0 66 -3,-0.5 -1,-0.1 1,-0.2 -2,-0.1 0.808 79.2 44.4 -78.9 -30.1 29.6 10.6 -9.2 61 72 A E S S+ 0 0 186 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.741 125.2 32.2 -84.6 -25.7 31.1 13.9 -8.0 62 73 A N >> + 0 0 92 1,-0.1 3,-1.2 2,-0.0 4,-1.0 -0.597 67.1 167.2-132.8 70.9 29.3 14.0 -4.7 63 74 A P H 3> S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.814 75.3 62.1 -54.4 -36.6 28.8 10.3 -3.6 64 75 A K H 3> S+ 0 0 157 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.850 103.8 49.9 -61.5 -31.7 27.8 11.2 -0.0 65 76 A A H <> S+ 0 0 28 -3,-1.2 4,-2.0 1,-0.2 -1,-0.3 0.768 107.5 56.2 -75.0 -25.5 24.8 13.1 -1.6 66 77 A G H X S+ 0 0 2 -4,-1.0 4,-2.2 -3,-0.3 -2,-0.2 0.893 104.6 49.9 -72.0 -40.9 24.1 9.9 -3.5 67 78 A D H X S+ 0 0 89 -4,-2.2 4,-3.5 2,-0.2 5,-0.3 0.871 109.4 53.3 -65.0 -36.6 23.9 7.8 -0.4 68 79 A E H X S+ 0 0 113 -4,-1.4 4,-3.7 2,-0.2 5,-0.3 0.948 107.9 49.4 -62.5 -50.0 21.5 10.3 1.1 69 80 A F H X S+ 0 0 28 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.925 116.6 43.1 -54.0 -47.9 19.2 10.1 -2.0 70 81 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.956 119.2 41.5 -63.7 -54.0 19.2 6.3 -1.8 71 82 A E H X S+ 0 0 56 -4,-3.5 4,-3.0 1,-0.2 5,-0.2 0.954 115.1 50.8 -58.9 -52.5 18.8 6.1 2.0 72 83 A K H X S+ 0 0 143 -4,-3.7 4,-1.0 -5,-0.3 -1,-0.2 0.792 114.6 45.2 -56.3 -32.0 16.2 8.9 2.1 73 84 A T H < S+ 0 0 4 -4,-1.5 3,-0.2 -5,-0.3 -1,-0.2 0.917 113.7 46.2 -79.9 -46.4 14.3 7.1 -0.6 74 85 A L H >< S+ 0 0 21 -4,-3.0 3,-1.3 1,-0.2 -2,-0.2 0.866 111.1 56.7 -62.3 -34.6 14.5 3.6 0.8 75 86 A S H 3< S+ 0 0 94 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.850 99.0 58.1 -65.0 -36.9 13.5 5.3 4.1 76 87 A T T 3< S+ 0 0 49 -4,-1.0 -46,-2.4 -3,-0.2 2,-0.5 0.252 93.4 82.4 -80.8 16.7 10.3 6.7 2.7 77 88 A I E < -c 30 0A 0 -3,-1.3 -46,-0.2 -48,-0.2 2,-0.2 -0.912 63.8-168.7-123.8 106.0 9.2 3.2 1.8 78 89 A A E -c 31 0A 49 -48,-3.7 -46,-3.5 -2,-0.5 2,-0.3 -0.518 11.3-140.5 -87.4 158.5 7.6 1.2 4.6 79 90 A T E +c 32 0A 54 -48,-0.2 2,-0.3 -2,-0.2 -46,-0.2 -0.917 27.0 157.9-121.1 148.3 6.9 -2.5 4.3 80 91 A S E -c 33 0A 27 -48,-1.7 -46,-1.3 -2,-0.3 3,-0.1 -0.944 36.1-153.4-166.9 144.2 3.9 -4.4 5.5 81 92 A T S S+ 0 0 72 -2,-0.3 2,-0.4 -48,-0.2 -48,-0.1 0.154 81.5 82.2-107.0 18.2 2.1 -7.7 4.9 82 93 A D > + 0 0 72 1,-0.2 4,-1.9 2,-0.0 3,-0.4 -0.753 44.1 169.4-126.9 85.9 -1.3 -6.4 6.0 83 94 A A H > S+ 0 0 14 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.925 75.7 66.6 -59.2 -45.5 -3.1 -4.3 3.4 84 95 A A H 4 S+ 0 0 6 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.850 109.6 33.6 -43.2 -49.7 -6.3 -4.3 5.5 85 96 A S H >4 S+ 0 0 70 -3,-0.4 3,-1.5 2,-0.2 4,-0.3 0.906 114.7 56.3 -78.5 -42.4 -4.8 -2.1 8.2 86 97 A V H >< S+ 0 0 26 -4,-1.9 3,-1.3 1,-0.3 -2,-0.2 0.915 104.8 52.3 -54.1 -48.9 -2.5 0.0 6.0 87 98 A V G >< S+ 0 0 0 -4,-2.5 29,-1.5 1,-0.3 3,-1.2 0.545 80.5 96.8 -67.1 -8.9 -5.3 1.2 3.8 88 99 A H G < S+ 0 0 134 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.847 107.6 9.5 -48.7 -37.4 -7.2 2.3 6.9 89 100 A S G < S+ 0 0 80 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.3 -0.430 95.6 131.0-144.7 64.6 -5.8 5.8 6.2 90 101 A T < - 0 0 0 -3,-1.2 -83,-0.2 1,-0.1 3,-0.1 -0.812 49.8-143.0-115.5 158.1 -4.1 5.9 2.8 91 102 A D S S+ 0 0 27 -85,-1.7 29,-1.5 1,-0.3 2,-0.3 0.785 84.7 7.7 -87.7 -28.7 -4.5 8.5 0.1 92 103 A L E -bd 7 120A 0 -86,-1.0 -84,-3.3 27,-0.2 2,-0.5 -0.936 56.8-152.1-158.6 129.3 -4.2 6.0 -2.8 93 104 A V E -bd 8 121A 0 27,-3.0 29,-0.9 -2,-0.3 2,-0.6 -0.878 11.9-168.4-100.9 132.3 -4.0 2.2 -3.3 94 105 A V E -bd 9 122A 0 -86,-2.8 -84,-1.5 -2,-0.5 2,-0.5 -0.929 12.0-153.4-121.6 102.2 -2.1 1.1 -6.4 95 106 A E E +bd 10 123A 0 27,-3.0 29,-1.9 -2,-0.6 -84,-0.2 -0.678 27.4 159.8 -83.4 121.8 -2.7 -2.6 -7.0 96 107 A A + 0 0 16 -86,-3.4 -83,-0.5 -2,-0.5 -80,-0.5 -0.427 30.3 125.6-136.8 57.5 0.1 -4.4 -8.8 97 108 A I - 0 0 43 1,-0.3 3,-0.1 -86,-0.1 27,-0.1 -0.456 68.9 -34.8-107.6-177.7 -0.4 -8.1 -8.0 98 109 A V - 0 0 72 1,-0.2 2,-1.6 -2,-0.2 -1,-0.3 0.023 66.9-109.3 -37.9 134.4 -0.8 -11.2 -10.1 99 110 A E S S+ 0 0 14 -3,-0.1 2,-0.3 4,-0.1 -1,-0.2 -0.559 76.0 120.3 -73.8 89.5 -2.8 -10.6 -13.3 100 111 A N > - 0 0 65 -2,-1.6 4,-2.5 1,-0.1 5,-0.3 -0.802 54.8-149.4-158.6 108.1 -6.0 -12.4 -12.4 101 112 A L H > S+ 0 0 59 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.884 96.8 52.4 -43.4 -57.8 -9.4 -10.8 -12.2 102 113 A K H > S+ 0 0 174 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.935 113.2 43.4 -45.2 -61.0 -10.8 -13.0 -9.5 103 114 A V H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 114.8 49.7 -54.2 -46.1 -7.9 -12.4 -7.2 104 115 A K H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.847 112.4 47.5 -64.7 -35.8 -7.9 -8.7 -7.9 105 116 A N H X S+ 0 0 32 -4,-2.8 4,-2.6 -5,-0.3 5,-0.2 0.917 110.5 50.8 -71.8 -42.9 -11.6 -8.4 -7.2 106 117 A E H X S+ 0 0 146 -4,-2.8 4,-1.6 -5,-0.3 -2,-0.2 0.888 111.7 50.8 -59.4 -38.0 -11.4 -10.4 -4.0 107 118 A L H X S+ 0 0 33 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.947 115.0 39.2 -64.9 -52.1 -8.6 -8.0 -3.0 108 119 A F H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.760 109.8 60.0 -71.7 -27.3 -10.4 -4.8 -3.7 109 120 A K H X S+ 0 0 120 -4,-2.6 4,-0.6 2,-0.2 -1,-0.2 0.937 112.7 40.6 -65.7 -43.4 -13.7 -6.0 -2.4 110 121 A R H >X S+ 0 0 119 -4,-1.6 3,-2.8 -5,-0.2 4,-1.1 0.994 115.2 48.1 -65.9 -62.9 -12.0 -6.6 1.0 111 122 A L H 3X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.3 -1,-0.2 0.757 100.7 68.8 -51.0 -26.7 -9.9 -3.4 1.0 112 123 A D H 3< S+ 0 0 24 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 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0.874 106.5 54.0 -60.6 -36.8 -3.7 -3.6 -35.6 499 218 B A H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.954 109.0 47.4 -62.5 -48.3 -2.8 -0.1 -34.7 500 219 B I H >X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 3,-0.5 0.945 112.5 49.6 -57.1 -49.6 -5.0 1.2 -37.6 501 220 B R H 3X S+ 0 0 34 -4,-2.8 4,-1.9 1,-0.3 -1,-0.2 0.799 106.0 55.3 -61.6 -30.5 -7.9 -1.0 -36.6 502 221 B L H 3<>S+ 0 0 0 -4,-1.9 5,-1.0 -3,-0.2 6,-0.7 0.843 111.5 47.1 -71.0 -29.7 -7.6 0.2 -33.0 503 222 B Y H X<5S+ 0 0 80 -4,-1.5 3,-0.9 -3,-0.5 -2,-0.2 0.871 111.6 47.3 -76.4 -40.2 -8.0 3.7 -34.4 504 223 B E H 3<5S+ 0 0 71 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.857 103.9 63.2 -69.4 -33.8 -10.9 2.9 -36.7 505 224 B R T 3<5S- 0 0 108 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.669 113.3-122.1 -64.6 -16.4 -12.6 1.1 -33.8 506 225 B G T < 5S+ 0 0 38 -3,-0.9 -3,-0.2 2,-0.2 -2,-0.1 0.383 76.7 124.7 88.8 -2.2 -12.7 4.5 -32.1 507 226 B D S - 0 0 41 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.383 36.0-113.0 -79.1 161.4 -6.6 8.7 -31.5 510 229 B K H > S+ 0 0 26 1,-0.2 4,-2.2 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15.0-135.9 118.3 117.9 4.5 4.3 -47.4 536 255 B L H > S+ 0 0 0 35,-3.2 4,-3.0 2,-0.2 5,-0.2 0.829 106.0 55.2 -70.3 -32.9 0.8 3.5 -47.2 537 256 B D H > S+ 0 0 18 34,-0.2 4,-2.7 2,-0.2 5,-0.2 0.975 109.7 45.8 -62.6 -54.9 0.7 2.3 -50.8 538 257 B T H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.888 115.0 48.8 -54.1 -42.1 3.5 -0.2 -50.1 539 258 B T H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.926 109.8 50.6 -65.3 -45.8 1.8 -1.2 -46.9 540 259 B K H X S+ 0 0 41 -4,-3.0 4,-3.1 1,-0.2 -2,-0.2 0.918 111.8 48.6 -59.1 -43.2 -1.6 -1.7 -48.6 541 260 B F H X S+ 0 0 69 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.940 109.3 52.1 -62.0 -48.9 0.1 -3.8 -51.3 542 261 B I H X S+ 0 0 5 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.944 114.7 42.7 -51.7 -52.0 1.8 -6.0 -48.8 543 262 B V H X S+ 0 0 2 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.930 111.1 53.5 -63.9 -46.8 -1.4 -6.6 -47.0 544 263 B D H X S+ 0 0 47 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.903 108.6 52.1 -55.1 -41.6 -3.5 -7.2 -50.1 545 264 B G H X S+ 0 0 28 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.943 114.1 40.5 -59.9 -50.1 -1.0 -9.8 -51.2 546 265 B W H X S+ 0 0 7 -4,-2.0 4,-3.5 -5,-0.2 -2,-0.2 0.873 114.6 54.7 -66.6 -36.2 -1.2 -11.7 -48.0 547 266 B H H < S+ 0 0 48 -4,-3.4 -2,-0.2 2,-0.2 -1,-0.2 0.888 108.6 46.7 -64.2 -41.2 -4.9 -11.1 -47.8 548 267 B E H < S+ 0 0 170 -4,-2.8 3,-0.5 -5,-0.2 -1,-0.2 0.875 117.8 44.7 -67.0 -36.4 -5.4 -12.7 -51.3 549 268 B M H < S+ 0 0 119 -4,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.912 129.7 22.9 -72.5 -47.4 -3.2 -15.6 -50.3 550 269 B D S >< S+ 0 0 69 -4,-3.5 3,-2.1 -5,-0.1 6,-0.2 -0.602 73.1 170.7-122.9 68.8 -4.7 -16.1 -46.8 551 270 B A T 3 S+ 0 0 46 -3,-0.5 -1,-0.1 -2,-0.3 -2,-0.1 0.711 75.2 51.8 -51.5 -30.0 -8.2 -14.7 -47.2 552 271 B E T 3 S+ 0 0 170 -3,-0.1 -1,-0.3 5,-0.0 5,-0.1 0.426 81.1 104.1 -92.3 2.0 -9.4 -16.0 -43.8 553 272 B N X - 0 0 31 -3,-2.1 3,-1.3 -6,-0.2 -3,-0.1 -0.751 58.9-156.9 -86.4 113.1 -6.5 -14.6 -41.7 554 273 B P G > S+ 0 0 52 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.673 86.7 73.6 -63.0 -17.2 -7.9 -11.6 -39.8 555 274 B L G 3 S+ 0 0 7 1,-0.3 -58,-0.1 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