==== 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 11-DEC-06 2JBS . COMPND 2 MOLECULE: P-HYDROXYPHENYLACETATE HYDROXYLASE C2\:OXYGENASE . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR A.ALFIERI,A.MATTEVI . 1598 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1170 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 153 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 79 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 199 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 628 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.0 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 7 0 0 4 4 0 1 11 0 0 0 0 4 0 0 0 0 8 0 0 0 4 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 7 0 8 0 4 0 0 5 3 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 8 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 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 24 A R 0 0 129 0, 0.0 707,-0.1 0, 0.0 708,-0.1 0.000 360.0 360.0 360.0 132.5 -3.0 22.5 16.5 2 25 A L - 0 0 33 702,-0.1 2,-0.4 703,-0.1 721,-0.0 -0.154 360.0-137.3 -75.7 168.6 0.1 23.9 18.2 3 26 A V - 0 0 33 3,-0.1 5,-0.1 1,-0.1 -1,-0.0 -0.999 15.4-176.2-135.0 130.0 2.5 22.0 20.5 4 27 A Y S S+ 0 0 7 -2,-0.4 295,-0.2 1,-0.1 296,-0.1 0.728 77.8 52.1 -98.6 -26.1 3.9 23.5 23.7 5 28 A T S S- 0 0 33 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.409 115.7 -2.3 -99.9 -5.9 6.3 20.8 24.9 6 29 A H S S- 0 0 92 290,-0.0 -3,-0.1 -3,-0.0 2,-0.1 -0.984 89.4 -52.6-171.0 175.9 8.4 20.2 21.8 7 30 A A - 0 0 3 -2,-0.3 2,-0.4 68,-0.2 -3,-0.1 -0.368 49.9-130.0 -62.2 134.4 9.2 20.9 18.2 8 31 A Q - 0 0 95 -5,-0.1 -1,-0.1 -2,-0.1 67,-0.0 -0.765 26.2-113.1 -85.7 135.3 6.3 20.5 15.8 9 32 A T - 0 0 66 -2,-0.4 2,-1.1 1,-0.1 -1,-0.0 -0.565 23.9-126.6 -71.3 113.3 7.0 18.4 12.8 10 33 A P - 0 0 50 0, 0.0 2,-3.1 0, 0.0 6,-0.2 -0.416 24.5-140.4 -59.1 94.7 7.0 20.6 9.6 11 34 A D + 0 0 154 -2,-1.1 4,-0.1 4,-0.1 -2,-0.0 -0.358 42.0 158.5 -64.2 71.0 4.5 18.4 7.7 12 35 A V - 0 0 79 -2,-3.1 2,-0.4 2,-0.2 4,-0.1 -0.245 53.4-100.9 -64.1 169.3 6.2 18.7 4.3 13 36 A S S S+ 0 0 115 2,-0.1 2,-0.1 -2,-0.0 -1,-0.1 -0.819 99.5 19.7 -79.1 150.4 5.6 16.2 1.6 14 37 A G S S- 0 0 58 -2,-0.4 2,-0.7 2,-0.0 -2,-0.2 -0.349 117.7 -36.6 75.3-166.4 8.8 14.0 1.8 15 38 A V - 0 0 86 -2,-0.1 -2,-0.1 -4,-0.1 -4,-0.1 -0.809 52.8-147.6-104.5 111.6 11.1 13.7 4.8 16 39 A S > - 0 0 12 -2,-0.7 4,-1.9 -6,-0.2 3,-0.3 -0.316 28.5-114.7 -66.7 157.1 11.9 16.8 6.9 17 40 A M H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.879 116.6 59.1 -58.5 -32.9 15.3 16.9 8.4 18 41 A L H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.829 103.5 47.6 -72.4 -35.0 13.6 16.7 11.8 19 42 A E H > S+ 0 0 66 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.910 110.1 54.3 -68.1 -43.9 11.9 13.4 11.1 20 43 A K H X S+ 0 0 58 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.852 110.3 46.9 -55.7 -39.8 15.3 12.1 9.8 21 44 A I H >X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 3,-0.8 0.947 108.5 55.9 -64.6 -48.2 16.8 13.1 13.1 22 45 A Q H 3< S+ 0 0 76 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.798 103.6 53.8 -58.3 -32.2 13.9 11.5 15.0 23 46 A Q H 3< S+ 0 0 138 -4,-1.9 -1,-0.3 1,-0.2 4,-0.3 0.832 113.1 42.0 -70.7 -33.0 14.5 8.1 13.4 24 47 A I H S+ 0 0 67 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.927 107.7 47.9 -54.3 -46.4 17.5 6.0 19.6 27 50 A Q H > S+ 0 0 84 -4,-0.3 4,-1.4 -3,-0.2 -2,-0.2 0.929 112.0 48.9 -59.3 -48.3 21.0 5.1 18.3 28 51 A I H >X S+ 0 0 0 -4,-1.9 4,-1.0 1,-0.2 3,-0.7 0.936 111.0 51.8 -53.8 -49.7 22.4 8.5 19.5 29 52 A A H 3< S+ 0 0 35 -4,-2.7 4,-0.4 1,-0.2 3,-0.3 0.825 106.8 52.2 -57.1 -37.9 20.7 7.9 22.8 30 53 A K H 3< S+ 0 0 148 -4,-1.9 4,-0.3 1,-0.2 3,-0.3 0.750 110.1 48.3 -76.7 -23.1 22.3 4.5 23.3 31 54 A N H S+ 0 0 102 -4,-0.4 4,-1.2 -3,-0.3 -1,-0.2 0.893 115.4 41.3 -68.1 -42.1 26.9 6.7 27.9 34 57 A S H > S+ 0 0 67 -3,-0.4 4,-0.6 -4,-0.3 -1,-0.2 0.673 110.5 60.7 -79.3 -16.6 30.0 5.5 26.0 35 58 A A H X>S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 5,-0.8 0.892 100.4 54.2 -70.4 -41.2 30.2 9.0 24.4 36 59 A E H <5S+ 0 0 26 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.916 111.2 44.6 -60.5 -43.7 30.6 10.5 27.9 37 60 A Q H <5S+ 0 0 154 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.688 109.1 57.7 -74.0 -15.7 33.5 8.2 28.6 38 61 A L H <5S- 0 0 68 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.717 94.3-142.9 -86.3 -21.4 35.0 8.9 25.2 39 62 A R T <5S+ 0 0 49 -4,-1.2 2,-0.3 -3,-0.5 -3,-0.1 0.716 74.5 54.9 63.4 24.9 35.2 12.6 25.8 40 63 A R S - 0 0 16 0, 0.0 4,-1.4 0, 0.0 3,-0.4 -0.335 21.9-116.9 -65.2 147.9 31.6 8.7 18.8 43 66 A D H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.800 113.3 59.7 -53.6 -34.9 32.5 8.0 15.1 44 67 A E H > S+ 0 0 92 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.957 102.9 50.7 -56.6 -53.6 29.0 6.3 14.7 45 68 A N H > S+ 0 0 0 -3,-0.4 4,-2.3 1,-0.2 5,-0.2 0.857 111.3 46.9 -56.9 -41.8 27.2 9.5 15.6 46 69 A I H X S+ 0 0 16 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.945 113.7 49.6 -63.1 -46.5 29.1 11.7 13.2 47 70 A K H X S+ 0 0 125 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.889 112.5 46.6 -61.6 -42.2 28.6 9.1 10.5 48 71 A L H X S+ 0 0 12 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.925 115.3 45.3 -66.2 -47.0 24.8 8.9 11.1 49 72 A L H <>S+ 0 0 0 -4,-2.3 5,-1.6 -5,-0.2 6,-0.3 0.887 114.2 47.8 -65.7 -42.5 24.3 12.6 11.2 50 73 A K H ><5S+ 0 0 45 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.871 105.5 61.1 -64.4 -37.7 26.4 13.3 8.1 51 74 A E H 3<5S+ 0 0 138 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.890 103.8 47.8 -58.0 -41.2 24.6 10.5 6.3 52 75 A I T 3<5S- 0 0 28 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.516 117.8-119.6 -79.0 -4.0 21.3 12.4 6.7 53 76 A G T X 5 + 0 0 14 -3,-1.3 3,-2.3 -4,-0.3 -3,-0.2 0.531 67.4 141.1 85.6 9.1 23.2 15.4 5.5 54 77 A L G > < + 0 0 0 -5,-1.6 3,-2.0 1,-0.3 4,-0.2 0.827 63.4 65.9 -56.4 -33.5 22.7 17.6 8.5 55 78 A H G 3 S+ 0 0 4 -6,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.624 95.8 59.4 -65.7 -9.5 26.2 19.1 8.4 56 79 A R G < S+ 0 0 49 -3,-2.3 10,-3.0 1,-0.2 11,-0.8 0.144 70.4 114.2-103.2 17.3 25.2 20.7 5.1 57 80 A A S < S+ 0 0 0 -3,-2.0 11,-2.7 1,-0.2 10,-0.5 0.880 91.3 20.8 -53.4 -46.0 22.4 22.6 6.8 58 81 A F S S+ 0 0 0 -3,-0.3 -1,-0.2 37,-0.3 44,-0.1 0.370 93.5 120.5-111.3 5.6 24.1 26.0 6.2 59 82 A Q S S- 0 0 3 -3,-0.1 8,-0.4 1,-0.1 40,-0.1 -0.442 76.3 -98.1 -65.3 137.7 26.4 25.1 3.3 60 83 A P > > - 0 0 0 0, 0.0 5,-1.8 0, 0.0 3,-1.0 -0.232 27.7-122.6 -58.2 152.3 25.6 27.2 0.2 61 84 A K G > 5S+ 0 0 129 1,-0.2 3,-2.7 3,-0.2 -2,-0.1 0.884 106.7 68.6 -64.2 -40.4 23.4 25.4 -2.4 62 85 A V G 3 5S+ 0 0 103 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.745 104.1 44.0 -54.0 -25.4 26.0 25.8 -5.1 63 86 A Y G < 5S- 0 0 23 -3,-1.0 -1,-0.3 54,-0.0 -2,-0.2 0.410 134.9 -85.1 -97.9 1.3 28.2 23.3 -3.3 64 87 A G T < 5S+ 0 0 46 -3,-2.7 -3,-0.2 -4,-0.2 -2,-0.2 0.629 80.2 146.4 108.1 20.4 25.4 20.9 -2.5 65 88 A G < - 0 0 11 -5,-1.8 -1,-0.2 1,-0.1 -8,-0.2 -0.323 49.0-137.6 -88.2 170.0 24.0 22.4 0.7 66 89 A L - 0 0 76 -10,-3.0 -9,-0.2 -13,-0.2 -8,-0.1 0.835 21.2-149.2 -93.3 -38.1 20.5 22.6 2.0 67 90 A E - 0 0 28 -11,-0.8 -9,-0.2 -10,-0.5 166,-0.2 0.959 24.0-163.6 60.4 55.9 20.4 26.2 3.3 68 91 A M - 0 0 22 -11,-2.7 -1,-0.1 -12,-0.1 2,-0.1 -0.301 21.0-107.3 -66.5 151.0 17.9 25.4 6.1 69 92 A S > - 0 0 25 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.427 32.4-112.1 -69.5 154.9 16.1 28.2 7.9 70 93 A L H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 3,-0.3 0.965 115.5 52.2 -57.2 -51.3 17.2 28.9 11.4 71 94 A P H > S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.935 109.8 48.9 -50.1 -51.1 14.1 27.7 13.0 72 95 A D H > S+ 0 0 73 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.860 117.2 41.7 -59.3 -37.4 14.2 24.3 11.2 73 96 A F H >X S+ 0 0 0 -4,-2.0 3,-2.0 -3,-0.3 4,-1.8 0.967 110.9 53.7 -74.0 -56.0 17.9 23.9 12.1 74 97 A A H 3X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.3 3,-0.2 0.885 107.2 54.8 -39.3 -49.7 17.6 25.0 15.7 75 98 A N H 3X S+ 0 0 19 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.3 0.655 103.7 54.1 -64.4 -22.2 14.8 22.5 16.2 76 99 A C H < S+ 0 0 23 -4,-1.6 3,-0.9 1,-0.2 4,-0.4 0.944 115.3 48.9 -61.7 -46.7 15.7 17.4 19.4 80 103 A L H >X S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 4,-1.9 0.862 103.8 59.7 -57.3 -41.9 19.3 16.0 19.1 81 104 A A H 3< S+ 0 0 1 -4,-2.8 -1,-0.3 1,-0.3 4,-0.2 0.753 92.5 68.8 -64.0 -26.8 20.3 17.5 22.4 82 105 A G T << S+ 0 0 15 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.734 108.5 35.8 -62.5 -25.4 17.6 15.4 24.1 83 106 A A T <4 S- 0 0 7 -3,-1.9 2,-0.2 -4,-0.4 -2,-0.2 0.829 140.7 -1.0 -99.1 -41.8 19.6 12.3 23.3 84 107 A C X - 0 0 3 -4,-1.9 4,-2.8 1,-0.1 -1,-0.2 -0.758 58.4-167.7-151.9 103.8 23.2 13.5 23.7 85 108 A A H > S+ 0 0 4 -4,-0.2 4,-3.3 -2,-0.2 5,-0.2 0.938 91.2 51.8 -54.6 -52.7 23.8 17.1 24.6 86 109 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.860 112.4 46.3 -55.7 -42.2 27.6 16.9 23.8 87 110 A T H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.978 114.2 46.6 -62.6 -56.9 26.9 15.5 20.4 88 111 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 -8,-0.3 -2,-0.2 0.880 116.1 46.9 -50.7 -45.6 24.1 18.0 19.6 89 112 A W H X S+ 0 0 18 -4,-3.3 4,-2.0 2,-0.2 -1,-0.2 0.955 115.7 42.3 -62.5 -56.8 26.4 20.9 20.8 90 113 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.950 118.2 46.8 -57.8 -49.9 29.5 19.8 19.0 91 114 A F H X S+ 0 0 0 -4,-3.3 4,-2.0 -5,-0.3 -1,-0.2 0.867 106.3 57.3 -67.3 -36.5 27.6 19.0 15.9 92 115 A S H X S+ 0 0 2 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.943 108.5 48.1 -55.7 -47.1 25.6 22.2 15.9 93 116 A L H X S+ 0 0 12 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.954 107.0 53.7 -60.7 -50.0 28.9 24.1 15.9 94 117 A L H < S+ 0 0 0 -4,-2.3 27,-0.6 1,-0.2 4,-0.4 0.849 114.9 45.1 -51.8 -36.6 30.4 22.1 13.0 95 118 A C H >X S+ 0 0 0 -4,-2.0 3,-1.3 -5,-0.2 4,-0.6 0.928 110.1 49.0 -70.1 -52.4 27.2 23.0 11.1 96 119 A T H 3X S+ 0 0 1 -4,-2.7 4,-0.6 1,-0.3 -2,-0.2 0.654 98.3 71.2 -72.7 -15.0 26.9 26.7 11.9 97 120 A H H >X S+ 0 0 0 -4,-1.9 4,-2.7 24,-0.2 3,-0.7 0.830 89.2 61.0 -65.8 -32.6 30.5 27.3 10.9 98 121 A S H <> S+ 0 0 3 -3,-1.3 4,-2.6 -4,-0.4 -1,-0.2 0.889 96.0 60.9 -60.7 -36.6 29.6 26.7 7.3 99 122 A H H 3< S+ 0 0 0 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.812 110.5 41.4 -59.2 -32.0 27.3 29.7 7.5 100 123 A Q H X< S+ 0 0 0 -3,-0.7 3,-2.9 -4,-0.6 4,-0.3 0.909 109.0 55.6 -81.4 -51.1 30.3 31.8 8.3 101 124 A I H >< S+ 0 0 2 -4,-2.7 3,-2.6 1,-0.3 -2,-0.2 0.886 97.9 68.4 -44.2 -41.4 32.7 30.2 5.8 102 125 A A T 3< S+ 0 0 1 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.469 94.6 55.9 -62.1 -4.6 30.0 31.2 3.3 103 126 A M T < S+ 0 0 9 -3,-2.9 122,-2.2 -5,-0.1 123,-0.3 0.418 91.7 89.7-108.3 -0.3 30.9 34.8 3.9 104 127 A F S < S- 0 0 1 -3,-2.6 107,-0.1 -4,-0.3 106,-0.1 -0.232 95.6 -57.7 -82.3-179.8 34.6 34.3 3.1 105 128 A S > - 0 0 13 105,-0.6 4,-1.9 1,-0.1 3,-0.3 -0.138 43.8-119.6 -58.7 152.4 36.1 34.7 -0.4 106 129 A K H > S+ 0 0 94 118,-0.3 4,-2.5 1,-0.2 5,-0.2 0.888 115.3 60.7 -58.0 -33.5 34.7 32.5 -3.2 107 130 A Q H > S+ 0 0 117 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.883 103.7 47.8 -63.3 -39.0 38.3 31.2 -3.5 108 131 A L H > S+ 0 0 1 -3,-0.3 4,-2.6 102,-0.3 -1,-0.2 0.933 111.8 47.6 -69.3 -48.1 38.2 29.9 0.0 109 132 A Q H X>S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.5 0.895 112.6 51.2 -58.6 -40.7 34.9 28.2 -0.2 110 133 A D H X>S+ 0 0 39 -4,-2.5 4,-1.1 -5,-0.2 5,-0.8 0.890 109.7 51.2 -59.5 -41.2 36.0 26.6 -3.5 111 134 A E H <5S+ 0 0 76 -4,-1.9 4,-0.4 -5,-0.2 -2,-0.2 0.933 116.7 37.8 -65.9 -49.2 39.2 25.4 -1.8 112 135 A I H X5S+ 0 0 1 -4,-2.6 4,-1.3 3,-0.1 7,-0.2 0.938 129.5 24.2 -66.2 -49.7 37.4 23.7 1.1 113 136 A W H <5S+ 0 0 1 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.1 0.815 110.9 58.4-100.8 -38.6 34.3 22.3 -0.7 114 137 A L T << - 0 0 56 -4,-1.3 3,-1.5 -5,-0.1 -1,-0.3 -0.896 61.6-165.2-139.6 110.3 35.5 17.8 -0.4 117 140 A P T 3 S+ 0 0 49 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.607 90.1 54.8 -72.8 -13.7 31.8 18.7 -0.2 118 141 A D T 3 S+ 0 0 63 -5,-0.1 -5,-0.1 2,-0.1 -63,-0.0 0.361 79.2 124.6 -96.8 0.9 31.5 17.1 3.3 119 142 A A < - 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0 0 30 -4,-0.5 4,-1.5 -3,-0.5 3,-0.2 -0.524 47.1-159.7 -61.8 115.0 -4.4 31.3 40.8 778 401 B Y H > S+ 0 0 19 -2,-0.5 4,-3.2 -7,-0.2 5,-0.3 0.781 83.9 63.9 -72.9 -29.4 -1.2 29.4 39.9 779 402 B D H > S+ 0 0 19 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.948 109.3 43.0 -53.9 -46.9 -1.3 26.9 42.7 780 403 B V H > S+ 0 0 5 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.870 114.6 51.3 -64.2 -41.9 -4.5 25.5 41.3 781 404 B C H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 5,-0.3 0.898 104.6 53.7 -66.9 -41.1 -3.2 25.7 37.8 782 405 B A H X S+ 0 0 2 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.895 111.4 47.8 -61.7 -36.6 -0.0 23.8 38.5 783 406 B Q H X S+ 0 0 19 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.2 0.867 111.4 51.1 -72.1 -34.6 -2.1 21.0 40.0 784 407 B I H X S+ 0 0 35 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.999 116.4 37.7 -64.9 -64.4 -4.5 21.1 37.0 785 408 B L H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 3,-0.3 0.924 115.4 55.1 -50.7 -54.5 -1.8 20.8 34.3 786 409 B G H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.895 107.0 49.1 -45.2 -53.5 0.3 18.4 36.4 787 410 B R H <>S+ 0 0 63 -4,-2.1 5,-3.4 1,-0.2 -1,-0.2 0.886 112.1 50.0 -57.7 -39.8 -2.5 15.9 36.9 788 411 B E H ><5S+ 0 0 54 -4,-1.9 3,-1.4 -3,-0.3 -1,-0.2 0.908 108.1 52.2 -65.0 -42.7 -3.1 16.0 33.1 789 412 B L H 3<5S+ 0 0 27 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.800 110.7 47.0 -66.7 -32.1 0.5 15.5 32.2 790 413 B M T 3<5S- 0 0 9 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.332 118.9-113.9 -89.7 7.5 0.7 12.4 34.4 791 414 B G T < 5 + 0 0 63 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.887 62.9 154.1 65.9 42.6 -2.6 11.2 32.9 792 415 B M < - 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0 0 11 -4,-0.3 3,-1.3 -1181,-0.2 -1179,-0.2 0.112 36.1 -59.1 71.2 171.8 32.2 30.8 33.5 1553 374 D A G > S+ 0 0 24 -1181,-1.3 3,-1.8 1,-0.3 4,-0.2 0.782 125.6 64.6 -59.5 -34.0 33.2 27.9 31.5 1554 375 D T G > S+ 0 0 93 1,-0.3 3,-1.2 -3,-0.2 -1,-0.3 0.778 92.1 65.9 -65.5 -27.1 36.7 27.4 33.1 1555 376 D S G < S+ 0 0 11 -3,-1.3 8,-0.8 -4,-0.4 -1,-0.3 0.503 92.9 60.7 -69.5 -7.2 35.0 26.6 36.4 1556 377 D F G < S+ 0 0 11 -3,-1.8 -1366,-1.6 -4,-0.2 -1,-0.2 0.403 80.4 109.8-104.3 -0.1 33.5 23.4 35.0 1557 378 D M B X S-G 189 0C 20 -3,-1.2 3,-1.4 -1368,-0.2 6,-0.3 -0.346 80.0-118.7 -66.8 153.5 36.9 21.9 34.2 1558 379 D D T 3 S+ 0 0 54 -1370,-2.8 -1369,-0.1 1,-0.3 6,-0.1 0.883 113.2 60.2 -60.2 -38.9 38.1 18.9 36.3 1559 380 D N T 3 S+ 0 0 131 -1371,-0.4 2,-0.4 -5,-0.1 -1,-0.3 0.328 90.1 88.2 -74.9 9.1 41.0 20.9 37.4 1560 381 D S <> - 0 0 16 -3,-1.4 4,-0.6 1,-0.1 3,-0.1 -0.903 66.7-147.6-111.4 140.1 38.8 23.6 39.1 1561 382 D E H > S+ 0 0 38 -2,-0.4 4,-1.7 1,-0.2 3,-0.2 0.749 91.0 68.1 -70.6 -27.1 37.6 23.4 42.6 1562 383 D L H > S+ 0 0 2 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.936 93.4 57.8 -64.1 -46.2 34.3 25.2 42.0 1563 384 D Q H > S+ 0 0 5 -8,-0.8 4,-2.1 -6,-0.3 -1,-0.2 0.853 109.0 45.7 -51.2 -41.9 32.9 22.4 39.9 1564 385 D R H X S+ 0 0 22 -4,-0.6 4,-2.9 -3,-0.2 -170,-0.3 0.881 113.5 48.8 -69.1 -38.4 33.4 19.9 42.8 1565 386 D L H X S+ 0 0 7 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.900 111.2 50.1 -72.5 -40.5 31.9 22.3 45.3 1566 387 D F H X S+ 0 0 6 -4,-3.4 4,-1.9 2,-0.2 -2,-0.2 0.960 114.1 44.8 -60.7 -50.0 28.9 22.9 43.1 1567 388 D R H X S+ 0 0 9 -4,-2.1 4,-1.6 -5,-0.2 3,-0.4 0.960 115.8 45.6 -60.6 -53.7 28.3 19.2 42.6 1568 389 D D H X S+ 0 0 4 -4,-2.9 4,-1.5 1,-0.2 3,-0.2 0.884 108.5 57.3 -54.9 -42.4 28.8 18.3 46.3 1569 390 D A H < S+ 0 0 2 -4,-2.5 4,-0.4 1,-0.3 3,-0.3 0.899 108.2 46.9 -60.0 -43.2 26.6 21.2 47.4 1570 391 D H H >< S+ 0 0 21 -4,-1.9 3,-0.9 -3,-0.4 -1,-0.3 0.791 104.7 61.1 -69.0 -29.9 23.7 19.9 45.3 1571 392 D M H >< S+ 0 0 12 -4,-1.6 3,-2.0 1,-0.2 4,-0.4 0.861 95.5 62.5 -66.2 -32.2 24.2 16.3 46.6 1572 393 D T T 3< S+ 0 0 0 -4,-1.5 -1,-0.2 -3,-0.3 3,-0.2 0.669 101.6 51.1 -68.2 -18.2 23.5 17.6 50.2 1573 394 D G T < S+ 0 0 18 -3,-0.9 -1,-0.3 -4,-0.4 7,-0.2 0.303 98.1 68.3 -98.5 9.3 20.1 18.6 49.2 1574 395 D A S < S+ 0 0 9 -3,-2.0 -1223,-1.2 5,-0.1 -2,-0.2 0.426 73.6 108.4-103.6 -4.8 19.3 15.1 47.6 1575 396 D H S >> S- 0 0 41 -4,-0.4 4,-0.6 -3,-0.2 3,-0.5 -0.351 79.2-119.2 -69.4 157.0 19.3 13.2 50.9 1576 397 D A T 34 S+ 0 0 40 1,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.777 113.0 50.4 -70.5 -26.4 16.0 12.0 52.2 1577 398 D Y T 34 S+ 0 0 5 1,-0.2 -1,-0.2 24,-0.0 -43,-0.1 0.669 111.5 47.8 -86.5 -16.6 16.2 14.0 55.4 1578 399 D T T <4 S+ 0 0 5 -3,-0.5 2,-0.5 -44,-0.1 -2,-0.2 0.412 74.2 124.8-103.6 -1.2 17.0 17.3 53.5 1579 400 D D X - 0 0 24 -4,-0.6 4,-1.7 -3,-0.2 3,-0.2 -0.466 47.4-159.7 -61.0 114.6 14.3 17.1 50.9 1580 401 D Y H > S+ 0 0 21 -2,-0.5 4,-2.8 -7,-0.2 5,-0.2 0.773 83.6 63.6 -72.8 -28.8 12.5 20.4 51.4 1581 402 D D H > S+ 0 0 18 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.927 109.2 43.2 -57.2 -44.3 9.2 19.5 49.7 1582 403 D V H > S+ 0 0 5 -3,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.912 115.0 50.9 -66.4 -43.2 8.8 16.9 52.5 1583 404 D C H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.859 105.1 53.7 -66.0 -38.0 10.0 19.3 55.1 1584 405 D A H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.888 110.9 48.3 -63.5 -36.2 7.6 22.1 54.1 1585 406 D Q H X S+ 0 0 20 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 0.835 111.3 50.3 -72.0 -31.9 4.8 19.7 54.5 1586 407 D I H X S+ 0 0 36 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.991 116.8 38.4 -69.8 -57.2 6.0 18.5 57.9 1587 408 D L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.904 115.0 54.9 -61.1 -46.3 6.3 21.9 59.4 1588 409 D G H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.926 107.6 48.8 -48.5 -55.2 3.2 23.2 57.6 1589 410 D R H <>S+ 0 0 61 -4,-2.2 5,-3.5 1,-0.2 -1,-0.2 0.876 112.6 49.8 -54.9 -39.8 1.0 20.5 59.0 1590 411 D E H ><5S+ 0 0 52 -4,-1.8 3,-1.7 3,-0.2 -2,-0.2 0.932 107.6 52.0 -67.3 -47.0 2.4 21.2 62.5 1591 412 D L H 3<5S+ 0 0 27 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.815 111.0 47.7 -60.7 -31.9 1.8 24.9 62.4 1592 413 D M T 3<5S- 0 0 12 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.414 117.8-114.3 -88.6 2.1 -1.8 24.4 61.4 1593 414 D G T < 5 + 0 0 58 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.879 62.9 152.7 68.9 40.7 -2.2 21.8 64.2 1594 415 D M < - 0 0 42 -5,-3.5 -1,-0.2 -6,-0.1 3,-0.1 -0.698 52.7 -98.3 -99.6 153.4 -2.8 18.8 61.9 1595 416 D E - 0 0 152 -2,-0.3 -1,-0.1 1,-0.1 -6,-0.0 -0.381 54.0 -96.2 -58.1 144.8 -2.0 15.2 62.6 1596 417 D P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 -0.281 32.8-113.4 -67.7 153.4 1.3 14.1 61.0 1597 418 D D > - 0 0 45 1,-0.1 3,-1.9 -3,-0.1 -8,-0.0 -0.792 16.7-156.3 -86.6 112.5 1.3 12.5 57.6 1598 419 D P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.581 86.0 80.0 -67.5 -2.8 2.6 8.9 58.1 1599 420 D T T 3 S+ 0 0 49 -1324,-0.0 2,-0.3 2,-0.0 -1323,-0.3 0.636 104.1 22.0 -73.8 -20.5 3.6 9.1 54.4 1600 421 D M < 0 0 9 -3,-1.9 -1329,-0.0 1,-0.1 -17,-0.0 -0.888 360.0 360.0-142.6 169.7 6.7 11.0 55.3 1601 422 D V 0 0 80 -2,-0.3 -1,-0.1 -5,-0.0 -24,-0.0 0.424 360.0 360.0-165.6 360.0 8.8 11.4 58.4