==== 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 TRANSFERASE, HYDROLASE 09-JAN-10 3LC6 . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE KINASE/PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.ZHENG,Z.JIA . 1086 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 681 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 9.7 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 82 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 304 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.1 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 6 4 3 8 2 0 2 0 3 1 1 2 1 0 0 2 0 0 0 1 0 0 0 1 0 1 0 RESIDUES PER ALPHA HELIX . 7 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 0 0 PARALLEL BRIDGES PER LADDER . 9 8 4 6 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 ANTIPARALLEL BRIDGES PER LADDER . 2 4 2 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 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 3 A R > 0 0 259 0, 0.0 2,-2.4 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 111.2 11.1 -19.6 22.8 2 4 A G T 3> + 0 0 53 1,-0.2 4,-1.6 2,-0.1 3,-0.5 -0.113 360.0 121.7 -72.6 43.5 7.9 -17.7 22.7 3 5 A L H 3> S+ 0 0 70 -2,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.942 79.5 34.2 -71.7 -49.0 6.4 -20.4 24.9 4 6 A E H <4 S+ 0 0 22 -3,-0.7 -1,-0.2 2,-0.2 80,-0.1 0.014 122.0 47.4-101.9 28.7 5.4 -18.0 27.7 5 7 A L H > S+ 0 0 50 -3,-0.5 4,-2.5 2,-0.1 5,-0.2 0.421 102.8 59.2-126.5 -32.8 4.6 -15.1 25.4 6 8 A L H X S+ 0 0 39 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.952 113.2 44.8 -54.3 -44.5 2.5 -17.0 23.0 7 9 A I H >X S+ 0 0 21 -4,-1.1 4,-2.4 2,-0.2 3,-1.7 0.983 111.4 48.5 -59.8 -60.4 0.5 -17.6 26.2 8 10 A A H 3> S+ 0 0 0 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.787 112.2 51.1 -55.7 -29.4 0.6 -14.0 27.5 9 11 A Q H 3< S+ 0 0 53 -4,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.774 113.5 47.2 -73.9 -28.1 -0.5 -12.9 24.0 10 12 A T H XX S+ 0 0 8 -3,-1.7 3,-0.7 -4,-1.1 4,-0.5 0.853 110.5 46.7 -79.7 -43.2 -3.3 -15.6 24.3 11 13 A I H 3X S+ 0 0 7 -4,-2.4 4,-0.9 1,-0.2 -3,-0.2 0.642 113.3 53.4 -78.0 -14.1 -4.7 -14.8 27.8 12 14 A L H 3X S+ 0 0 9 -4,-0.6 4,-0.8 -5,-0.4 -1,-0.2 0.343 105.2 50.3-102.9 -2.5 -4.6 -11.1 26.8 13 15 A Q H <> S+ 0 0 4 -3,-0.7 4,-1.3 2,-0.2 -2,-0.2 0.407 102.5 64.5-103.6 -12.8 -6.7 -11.5 23.7 14 16 A G H X S+ 0 0 0 -4,-0.5 4,-4.0 2,-0.2 -2,-0.2 0.936 109.5 37.6 -66.7 -51.6 -9.1 -13.4 25.9 15 17 A F H X S+ 0 0 1 -4,-0.9 4,-3.2 2,-0.3 5,-0.5 0.983 113.7 54.3 -57.6 -59.7 -9.7 -10.2 27.7 16 18 A D H < S+ 0 0 8 -4,-0.8 4,-0.3 1,-0.3 -1,-0.2 0.812 117.9 40.0 -50.6 -33.5 -9.5 -8.0 24.6 17 19 A A H >X S+ 0 0 2 -4,-1.3 4,-1.5 2,-0.2 3,-1.3 0.950 109.2 56.3 -71.6 -56.4 -12.2 -10.4 23.3 18 20 A Q H 3X S+ 0 0 5 -4,-4.0 4,-0.7 1,-0.3 -2,-0.2 0.862 116.7 39.7 -49.4 -37.4 -14.2 -10.7 26.6 19 21 A Y H 3X S+ 0 0 8 -4,-3.2 4,-1.3 1,-0.2 -1,-0.3 0.651 102.8 75.1 -84.4 -20.9 -14.4 -6.9 26.4 20 22 A G H <4 S+ 0 0 2 -3,-1.3 4,-0.2 -5,-0.5 -2,-0.2 0.923 108.8 27.6 -52.3 -53.0 -14.9 -7.2 22.6 21 23 A R H X S+ 0 0 48 -4,-1.5 4,-2.5 1,-0.2 3,-0.5 0.646 106.4 81.1 -86.4 -15.8 -18.5 -8.4 23.0 22 24 A F H X S+ 0 0 11 -4,-0.7 4,-2.6 -5,-0.4 -2,-0.2 0.953 99.9 36.7 -49.6 -54.2 -18.9 -6.6 26.3 23 25 A L H < S+ 0 0 14 -4,-1.3 4,-0.3 1,-0.2 -1,-0.2 0.477 112.2 56.5 -88.1 -8.5 -19.6 -3.3 24.6 24 26 A E H 4 S+ 0 0 22 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.2 0.797 111.3 46.4 -80.2 -37.4 -21.5 -4.6 21.7 25 27 A V H >< S+ 0 0 14 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.996 112.6 49.3 -63.4 -55.7 -23.8 -6.1 24.2 26 28 A T G >< S+ 0 0 5 -4,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.709 106.4 59.7 -52.7 -24.9 -23.9 -2.9 26.1 27 29 A S G 3 S+ 0 0 23 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.018 87.8 70.5-103.6 26.0 -24.6 -1.0 22.9 28 30 A G G <> S+ 0 0 12 -3,-1.7 4,-2.0 2,-0.1 -1,-0.2 0.344 76.6 85.3-112.7 -2.2 -27.9 -2.8 22.0 29 31 A A T <4 S+ 0 0 6 -3,-0.7 -2,-0.1 -4,-0.2 168,-0.1 0.560 80.4 57.6 -85.6 -10.9 -29.8 -1.2 24.8 30 32 A Q T >> S+ 0 0 26 651,-0.2 4,-1.3 2,-0.1 3,-0.6 0.912 115.2 36.3 -76.9 -51.7 -30.8 2.1 23.0 31 33 A Q H 3> S+ 0 0 37 650,-0.8 4,-4.1 1,-0.2 3,-0.5 0.922 109.9 61.8 -61.6 -49.8 -32.5 0.3 20.2 32 34 A R H 3< S+ 0 0 36 -4,-2.0 -1,-0.2 1,-0.3 9,-0.2 0.541 106.5 49.9 -64.0 -3.2 -33.9 -2.4 22.5 33 35 A F H <4 S+ 0 0 7 -3,-0.6 -1,-0.3 3,-0.1 -2,-0.2 0.737 117.7 35.5-100.0 -39.2 -35.7 0.5 24.2 34 36 A E H < S+ 0 0 100 -4,-1.3 -2,-0.2 -3,-0.5 -3,-0.2 0.958 116.3 65.6 -65.8 -62.5 -37.1 2.0 21.0 35 37 A Q S < S- 0 0 80 -4,-4.1 0, 0.0 1,-0.1 0, 0.0 -0.178 98.4-125.8 -48.4 151.4 -37.5 -1.5 19.8 36 38 A A + 0 0 73 1,-0.1 2,-1.0 189,-0.0 3,-0.1 0.081 64.4 124.9 -98.7 29.2 -40.0 -3.2 22.0 37 39 A D > + 0 0 65 1,-0.2 4,-0.9 -5,-0.2 -2,-0.1 -0.660 13.3 154.1-100.2 91.7 -38.1 -6.2 23.3 38 40 A W H > S+ 0 0 39 -2,-1.0 4,-1.4 2,-0.3 -1,-0.2 0.489 76.3 67.6 -92.1 -4.7 -37.9 -6.5 27.1 39 41 A H H > S+ 0 0 118 2,-0.2 4,-0.9 -3,-0.1 -1,-0.2 0.863 106.1 48.2 -62.5 -38.2 -37.5 -10.2 27.0 40 42 A A H > S+ 0 0 27 2,-0.2 4,-0.6 1,-0.2 -2,-0.3 0.835 106.9 51.9 -70.2 -38.2 -34.3 -8.9 25.5 41 43 A V H X S+ 0 0 17 -4,-0.9 4,-0.7 1,-0.2 3,-0.5 0.881 112.5 46.4 -68.5 -37.7 -33.5 -6.3 28.2 42 44 A Q H < S+ 0 0 42 -4,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.665 114.6 47.8 -75.4 -19.2 -33.9 -9.0 30.9 43 45 A Q H < S+ 0 0 113 -4,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.432 97.1 71.7-100.7 -0.1 -31.8 -11.5 29.0 44 46 A A H >X S+ 0 0 3 -4,-0.6 4,-2.0 -3,-0.5 3,-0.9 0.858 93.0 50.6 -86.6 -42.4 -28.8 -9.2 28.1 45 47 A M H >X S+ 0 0 24 -4,-0.7 4,-2.6 1,-0.2 3,-1.4 0.991 107.6 60.3 -50.9 -53.2 -27.2 -8.8 31.5 46 48 A K H 34 S+ 0 0 60 -4,-0.4 -1,-0.2 310,-0.3 4,-0.2 0.656 107.1 43.4 -47.4 -25.6 -27.5 -12.6 31.4 47 49 A N H <> S+ 0 0 71 -3,-0.9 4,-1.4 2,-0.1 -1,-0.3 0.722 112.6 53.3 -88.9 -27.0 -25.3 -12.5 28.3 48 50 A R H S+ 0 0 72 -5,-0.4 4,-3.2 -4,-0.2 3,-0.3 0.870 92.0 69.1 -86.8 -41.5 -21.2 -14.9 30.7 51 53 A L H X S+ 0 0 2 -4,-1.4 4,-1.9 1,-0.2 5,-0.2 0.872 94.0 58.4 -47.6 -48.9 -18.7 -13.4 28.3 52 54 A Y H X S+ 0 0 11 -4,-0.7 4,-1.1 1,-0.2 3,-0.4 0.940 119.2 30.2 -51.1 -52.6 -16.0 -12.9 30.9 53 55 A D H X S+ 0 0 78 -4,-0.5 4,-2.4 -3,-0.3 -1,-0.2 0.767 113.8 64.9 -75.2 -27.5 -16.0 -16.6 31.8 54 56 A H H < S+ 0 0 105 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.765 109.3 40.6 -60.5 -27.6 -17.0 -17.4 28.2 55 57 A H H X S+ 0 0 25 -4,-1.9 4,-1.3 -3,-0.4 3,-0.4 0.656 116.3 45.7-100.1 -23.4 -13.6 -16.0 27.2 56 58 A V H X S+ 0 0 1 -4,-1.1 4,-2.9 -5,-0.2 5,-0.3 0.751 101.7 67.9 -83.1 -29.8 -11.5 -17.5 30.0 57 59 A G H < S+ 0 0 31 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.156 109.8 37.2 -80.5 21.0 -13.1 -20.9 29.6 58 60 A L H > S+ 0 0 7 -3,-0.4 4,-4.2 3,-0.1 5,-0.4 0.454 114.9 47.6-128.7 -48.0 -11.3 -21.0 26.3 59 61 A V H X S+ 0 0 0 -4,-1.3 4,-0.9 1,-0.2 -2,-0.2 0.916 115.1 52.3 -59.6 -37.6 -8.0 -19.4 26.9 60 62 A V H X S+ 0 0 19 -4,-2.9 4,-0.9 2,-0.2 -1,-0.2 0.940 118.2 36.5 -55.6 -48.7 -8.0 -21.7 29.9 61 63 A E H >> S+ 0 0 94 -5,-0.3 3,-1.4 1,-0.2 4,-0.6 0.979 115.5 49.4 -71.9 -57.6 -8.7 -24.6 27.6 62 64 A Q H 3< S+ 0 0 14 -4,-4.2 4,-0.4 1,-0.3 -1,-0.2 0.612 103.8 66.8 -61.9 -10.1 -6.7 -23.7 24.5 63 65 A L H >< S+ 0 0 18 -4,-0.9 3,-1.1 -5,-0.4 -1,-0.3 0.920 97.1 51.1 -70.0 -44.9 -3.8 -23.1 27.0 64 66 A R H X< S+ 0 0 152 -3,-1.4 3,-0.8 -4,-0.9 -2,-0.2 0.574 88.6 81.5 -71.4 -13.6 -3.7 -26.9 27.8 65 67 A C T 3< S+ 0 0 41 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.778 115.9 12.6 -69.4 -30.9 -3.5 -27.8 24.1 66 68 A I T < S+ 0 0 75 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.1 -0.637 97.3 105.6-137.3 85.4 0.2 -27.1 24.3 67 69 A T < + 0 0 30 -3,-0.8 -4,-0.0 -2,-0.1 -3,-0.0 -0.504 53.7 96.1-152.2 62.0 1.0 -26.7 28.0 68 70 A N + 0 0 99 3,-0.1 3,-0.3 2,-0.0 4,-0.2 0.675 65.2 60.0-128.2 -42.5 2.8 -30.1 28.3 69 71 A G S S- 0 0 70 1,-0.2 3,-0.2 2,-0.1 -2,-0.0 0.991 136.5 -7.7 -57.5 -76.8 6.6 -29.7 28.1 70 72 A Q S S+ 0 0 108 1,-0.1 -1,-0.2 3,-0.0 6,-0.2 -0.315 91.2 159.1-112.6 46.1 7.4 -27.3 30.9 71 73 A S + 0 0 38 -3,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.721 59.8 7.0 -42.6 -44.0 3.7 -26.8 31.5 72 74 A T + 0 0 60 -4,-0.2 2,-0.3 -3,-0.2 -1,-0.2 -0.966 63.8 120.2-154.1 133.4 4.0 -25.6 35.0 73 75 A D > - 0 0 82 -2,-0.3 4,-1.1 -3,-0.1 3,-0.2 -0.762 62.8-117.5-160.0 163.1 6.5 -24.6 37.6 74 76 A A H > S+ 0 0 27 -2,-0.3 4,-0.5 2,-0.2 5,-0.1 0.586 105.2 89.2 -79.8 -6.4 6.3 -21.1 38.9 75 77 A E H 4 S+ 0 0 100 1,-0.2 3,-0.4 2,-0.2 4,-0.2 0.970 109.7 12.0 -46.4 -59.6 9.7 -20.9 37.4 76 78 A F H >> S+ 0 0 8 1,-0.2 4,-0.9 2,-0.2 3,-0.6 0.558 107.9 84.9-100.9 -11.8 8.0 -19.8 34.2 77 79 A L H 3< S+ 0 0 18 -4,-1.1 4,-0.4 1,-0.2 -1,-0.2 0.529 96.3 53.7 -62.4 -3.2 4.5 -19.1 35.5 78 80 A L T 3X S+ 0 0 71 -4,-0.5 4,-2.7 -3,-0.4 -1,-0.2 0.692 92.8 62.3-105.7 -30.3 6.2 -15.8 36.3 79 81 A R H <> S+ 0 0 90 -3,-0.6 4,-2.2 1,-0.2 5,-0.2 0.700 101.8 58.6 -67.0 -17.1 7.6 -15.0 32.9 80 82 A V H X S+ 0 0 9 -4,-0.9 4,-2.4 3,-0.2 -1,-0.2 0.883 105.5 47.5 -74.5 -41.6 3.9 -14.9 32.0 81 83 A K H > S+ 0 0 54 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.966 120.5 37.4 -62.8 -54.3 3.4 -12.2 34.6 82 84 A E H X S+ 0 0 84 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.998 118.2 47.9 -56.4 -66.0 6.4 -10.2 33.4 83 85 A H H < S+ 0 0 53 -4,-2.2 4,-0.5 1,-0.2 -3,-0.2 0.883 116.0 47.2 -44.2 -47.2 5.9 -10.9 29.7 84 86 A Y H >< S+ 0 0 0 -4,-2.4 3,-0.8 -5,-0.2 -1,-0.2 0.903 114.5 45.2 -59.6 -49.3 2.1 -10.0 30.1 85 87 A T H >< S+ 0 0 30 -4,-2.5 3,-2.2 -3,-0.3 -2,-0.2 0.917 103.4 60.5 -61.3 -49.2 2.8 -6.8 32.1 86 88 A R T 3< S+ 0 0 179 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.668 100.0 62.6 -56.2 -13.9 5.5 -5.4 29.9 87 89 A L T < S+ 0 0 63 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.186 92.6 65.1 -97.2 11.3 2.8 -5.5 27.2 88 90 A L X + 0 0 19 -3,-2.2 3,-0.7 1,-0.1 -1,-0.2 -0.156 52.4 119.3-134.3 40.8 0.5 -3.0 28.9 89 91 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.866 95.4 23.6 -76.9 -40.3 2.1 0.5 29.1 90 92 A D T 3 S+ 0 0 136 -3,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.416 90.9 121.8-118.4 53.0 -0.5 2.4 27.0 91 93 A Y X - 0 0 22 -3,-0.7 3,-1.3 1,-0.1 4,-0.1 -0.915 38.9-178.0-103.4 94.8 -3.1 -0.2 27.7 92 94 A P T 3 S+ 0 0 29 0, 0.0 3,-0.3 0, 0.0 167,-0.1 0.712 84.2 53.7 -70.2 -23.6 -5.7 2.2 29.3 93 95 A R T 3> S+ 0 0 19 1,-0.2 4,-0.9 2,-0.1 3,-0.2 -0.161 77.7 119.6 -97.6 29.7 -8.0 -0.8 30.0 94 96 A F H <> + 0 0 29 -3,-1.3 4,-2.8 2,-0.2 5,-0.2 0.803 58.2 65.8 -69.0 -35.1 -5.0 -2.5 31.8 95 97 A E H > S+ 0 0 6 -3,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.914 113.3 34.1 -56.5 -42.8 -6.6 -2.8 35.2 96 98 A I H > S+ 0 0 3 2,-0.2 4,-1.3 -3,-0.2 -1,-0.2 0.609 110.8 63.6 -88.3 -17.0 -9.1 -5.3 33.7 97 99 A A H X S+ 0 0 0 -4,-0.9 4,-0.6 2,-0.2 -2,-0.2 0.861 110.4 41.1 -67.0 -40.2 -6.5 -6.7 31.3 98 100 A E H >X S+ 0 0 6 -4,-2.8 4,-1.4 2,-0.2 3,-0.6 0.865 110.1 59.0 -65.9 -43.7 -4.7 -7.7 34.5 99 101 A S H 3X S+ 0 0 3 -4,-1.2 4,-1.2 1,-0.3 -2,-0.2 0.753 100.0 56.0 -63.8 -29.9 -8.0 -8.8 36.0 100 102 A F H 3X S+ 0 0 0 -4,-1.3 4,-0.8 1,-0.2 -1,-0.3 0.832 102.6 56.9 -67.8 -36.7 -8.7 -11.3 33.3 101 103 A F H XX S+ 0 0 5 -4,-0.6 4,-2.1 -3,-0.6 3,-0.7 0.922 101.9 57.8 -59.3 -47.2 -5.3 -12.9 34.0 102 104 A N H 3X S+ 0 0 12 -4,-1.4 4,-2.3 1,-0.3 5,-0.3 0.941 102.4 47.7 -52.1 -63.2 -6.3 -13.6 37.6 103 105 A S H 3< S+ 0 0 9 -4,-1.2 4,-0.4 1,-0.2 -1,-0.3 0.710 112.2 55.2 -58.9 -19.4 -9.4 -15.7 37.2 104 106 A V H XX S+ 0 0 2 -4,-0.8 4,-2.6 -3,-0.7 3,-1.3 0.970 108.0 43.9 -73.3 -59.8 -7.5 -17.8 34.7 105 107 A Y H 3X S+ 0 0 10 -4,-2.1 4,-2.5 1,-0.3 3,-0.4 0.962 114.5 51.9 -44.2 -60.2 -4.5 -18.7 36.9 106 108 A C H 3<>S+ 0 0 22 -4,-2.3 5,-5.5 1,-0.3 -1,-0.3 0.661 110.2 49.5 -55.9 -20.8 -7.0 -19.4 39.7 107 109 A R H X45S+ 0 0 82 -3,-1.3 3,-0.7 -4,-0.4 -1,-0.3 0.859 114.6 41.9 -83.8 -41.3 -8.9 -21.7 37.3 108 110 A L H 3<5S+ 0 0 65 -4,-2.6 -2,-0.2 -3,-0.4 -3,-0.2 0.746 125.3 39.4 -70.1 -24.4 -5.9 -23.6 36.2 109 111 A F T ><5S- 0 0 19 -4,-2.5 3,-1.8 -5,-0.3 4,-0.4 -0.153 117.2-100.6-125.2 33.5 -4.7 -23.7 39.8 110 112 A D T < 5 - 0 0 67 -3,-0.7 -3,-0.2 1,-0.3 -4,-0.2 0.818 69.6 -72.3 55.7 38.4 -7.8 -24.2 41.9 111 113 A H T 3 S- 0 0 154 1,-0.3 3,-0.6 0, 0.0 4,-0.4 0.243 114.0-153.5-100.5 6.7 -30.4 31.3 28.5 146 148 A G T 3> - 0 0 7 1,-0.2 4,-2.0 2,-0.1 5,-0.5 -0.316 44.2 -4.0 72.5-133.5 -30.4 29.1 31.6 147 149 A W T 34 S+ 0 0 16 1,-0.2 -1,-0.2 2,-0.2 28,-0.1 0.169 125.1 46.6-102.0 10.6 -32.9 26.5 32.7 148 150 A E T 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2,-0.4 -4,-0.2 11,-0.2 -0.946 67.1-145.8-125.8 146.1 -44.6 -23.3 42.7 480 486 A N - 0 0 107 9,-0.5 11,-2.4 -2,-0.3 2,-0.8 -0.971 22.3-138.2-116.4 130.2 -48.4 -24.0 42.7 481 487 A F B +t 491 0L 3 -2,-0.4 2,-0.3 9,-0.2 11,-0.2 -0.615 47.1 106.7-105.0 77.0 -50.5 -22.0 45.1 482 488 A R + 0 0 70 -2,-0.8 -2,-0.1 9,-0.7 8,-0.0 -0.934 22.2 174.2-149.3 131.2 -53.4 -23.2 47.3 483 489 A D + 0 0 30 -2,-0.3 9,-0.1 1,-0.1 -1,-0.1 0.089 40.2 133.2-110.5 27.8 -53.9 -24.0 51.1 484 490 A I 0 0 124 10,-0.0 -1,-0.1 36,-0.0 8,-0.0 0.757 360.0 360.0 -49.4 -56.9 -57.6 -24.8 51.0 485 491 A P 0 0 149 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.346 360.0 360.0 -30.8 360.0 -58.5 -28.0 52.9 486 ! 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 0.0 487 509 A S > 0 0 141 0, 0.0 3,-0.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -7.3 -47.6 -32.7 47.6 488 510 A P T 3 + 0 0 124 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.533 360.0 7.5 -86.2 170.1 -43.9 -31.6 46.8 489 511 A G T 3 S+ 0 0 66 -2,-0.2 -9,-0.5 1,-0.2 2,-0.3 0.721 92.3 130.5 -33.5 101.7 -43.0 -28.4 45.9 490 512 A D < - 0 0 80 -3,-0.7 2,-0.4 -11,-0.2 -9,-0.2 -0.926 45.6-136.0-128.2 151.5 -46.4 -26.7 46.4 491 513 A V B -t 481 0L 21 -11,-2.4 -9,-0.7 -2,-0.3 -12,-0.0 -0.929 7.8-158.3-122.6 132.3 -47.1 -23.5 48.4 492 514 A F >> - 0 0 94 -2,-0.4 3,-0.6 -11,-0.2 4,-0.5 -0.868 9.0-165.0-106.7 96.4 -49.8 -22.6 50.9 493 515 A P T 34 S+ 0 0 0 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.690 86.4 44.5 -56.7 -29.1 -50.1 -18.8 51.0 494 516 A E T >4 S+ 0 0 72 1,-0.2 3,-3.9 2,-0.2 4,-0.4 0.740 91.4 79.9 -86.7 -25.6 -52.1 -18.5 54.3 495 517 A E T X> S+ 0 0 113 -3,-0.6 3,-1.5 1,-0.3 4,-0.5 0.843 84.0 70.0 -47.3 -26.7 -49.9 -21.1 56.1 496 518 A F H 3X S+ 0 0 42 -4,-0.5 4,-1.4 1,-0.3 5,-0.3 0.622 75.6 80.0 -68.4 -15.3 -47.8 -17.9 56.3 497 519 A R H <> S+ 0 0 73 -3,-3.9 4,-0.6 21,-0.2 -1,-0.3 0.714 90.3 55.7 -65.0 -21.8 -50.2 -16.4 58.8 498 520 A H H <4 S+ 0 0 153 -3,-1.5 3,-0.2 -4,-0.4 4,-0.2 0.988 110.6 33.3 -75.0 -68.0 -48.7 -18.4 61.6 499 521 A W H >< S+ 0 0 160 -4,-0.5 3,-0.7 1,-0.2 4,-0.1 0.890 123.1 42.4 -57.9 -43.9 -44.9 -17.7 61.6 500 522 A L H 3< S+ 0 0 12 -4,-1.4 3,-0.4 1,-0.2 -1,-0.2 0.736 111.3 48.5 -84.8 -28.7 -45.1 -14.0 60.5 501 523 A C T 3< S+ 0 0 31 -4,-0.6 -1,-0.2 -5,-0.3 6,-0.2 0.175 82.2 107.6 -92.9 14.5 -48.0 -12.6 62.6 502 524 A A < + 0 0 68 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.1 0.775 57.8 76.4 -67.5 -33.0 -46.5 -14.2 65.6 503 525 A D S >> S- 0 0 44 -3,-0.4 4,-3.0 -4,-0.1 3,-1.7 -0.760 74.5-151.0 -84.2 115.6 -45.3 -11.0 67.2 504 526 A P T 34 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.076 95.8 56.2 -82.6 32.1 -48.5 -9.3 68.6 505 527 A R T 34 S+ 0 0 77 -2,-0.2 4,-0.1 -81,-0.0 -3,-0.1 0.349 120.4 24.0-123.6 -19.8 -46.8 -6.0 68.0 506 528 A I T <4 S+ 0 0 0 -3,-1.7 4,-0.5 2,-0.1 -4,-0.1 0.687 109.9 65.1-121.4 -29.1 -46.1 -6.5 64.3 507 529 A G S >X S+ 0 0 4 -4,-3.0 3,-0.7 -6,-0.2 4,-0.6 0.867 100.5 53.3 -65.3 -44.9 -48.6 -9.0 63.0 508 530 A P H >> S+ 0 0 84 0, 0.0 3,-1.5 0, 0.0 4,-0.7 0.940 106.2 54.6 -45.6 -53.2 -51.6 -6.7 63.6 509 531 A L H 3> S+ 0 0 38 1,-0.3 4,-1.0 2,-0.2 -2,-0.2 0.597 90.0 77.9 -64.0 -16.4 -49.8 -4.0 61.6 510 532 A F H X> S+ 0 0 20 -3,-0.7 4,-4.2 -4,-0.5 3,-0.5 0.895 90.8 53.6 -55.7 -44.1 -49.5 -6.5 58.7 511 533 A E H << S+ 0 0 103 -3,-1.5 4,-0.5 -4,-0.6 -1,-0.2 0.951 96.4 66.9 -54.9 -48.1 -53.2 -5.8 57.9 512 534 A E H 3< S+ 0 0 129 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.829 126.7 4.8 -48.7 -37.8 -52.4 -2.1 57.8 513 535 A M H << S+ 0 0 72 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.714 132.5 44.2-118.4 -25.1 -50.3 -2.7 54.7 514 536 A H X + 0 0 1 -4,-4.2 4,-0.6 -5,-0.2 3,-0.3 -0.436 52.4 147.5-126.9 61.7 -50.5 -6.4 53.5 515 537 A A T 4 S+ 0 0 51 -4,-0.5 -1,-0.1 1,-0.2 -4,-0.1 0.479 80.1 38.5 -73.2 -2.2 -54.1 -7.6 53.6 516 538 A D T 4 S+ 0 0 63 -3,-0.1 6,-0.3 2,-0.1 -1,-0.2 0.544 89.3 80.4-127.9 -13.6 -53.6 -9.9 50.6 517 539 A L T 4 S+ 0 0 12 -3,-0.3 -21,-0.1 1,-0.2 -2,-0.1 0.796 95.1 55.9 -65.6 -28.4 -50.2 -11.5 50.9 518 540 A F S < S+ 0 0 64 -4,-0.6 -1,-0.2 -22,-0.1 2,-0.2 0.882 97.8 82.9 -61.7 -38.9 -51.8 -13.9 53.4 519 541 A R S S- 0 0 73 -3,-0.2 3,-0.4 1,-0.1 4,-0.2 -0.506 71.6-145.3 -83.5 134.9 -54.3 -14.8 50.7 520 542 A A S >> S+ 0 0 0 -2,-0.2 3,-1.9 1,-0.2 4,-0.8 0.785 88.9 67.9 -65.9 -36.6 -53.7 -17.4 47.9 521 543 A D H >> S+ 0 0 102 1,-0.3 4,-1.3 2,-0.2 3,-1.1 0.905 94.6 59.7 -55.4 -43.0 -55.6 -15.8 45.0 522 544 A Y H 3> S+ 0 0 41 -3,-0.4 4,-1.3 -6,-0.3 -1,-0.3 0.581 98.4 57.3 -64.5 -15.2 -53.1 -12.9 44.8 523 545 A W H <> S+ 0 0 1 -3,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.668 102.5 52.0 -96.1 -20.8 -50.1 -15.2 44.1 524 546 A R H S+ 0 0 135 -4,-1.8 5,-0.7 -5,-0.2 3,-0.3 0.583 104.7 61.1 -88.5 -13.8 -49.0 -12.0 34.9 530 552 A I H <5S+ 0 0 23 -4,-1.0 3,-0.5 -3,-0.3 -2,-0.2 0.688 103.8 52.7 -72.3 -25.0 -45.3 -12.9 34.6 531 553 A R T <5S+ 0 0 117 -4,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.311 90.2 70.5-101.1 5.3 -46.3 -15.5 32.0 532 554 A E T 5S- 0 0 140 2,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.386 126.5 -95.3 -91.8 1.0 -48.3 -13.2 29.7 533 555 A G T 5S+ 0 0 42 -3,-0.5 2,-0.4 1,-0.3 -2,-0.1 0.250 91.9 123.4 101.3 -7.0 -44.8 -11.8 28.9 534 556 A H < + 0 0 64 -5,-0.7 2,-0.3 2,-0.0 -2,-0.3 -0.746 27.1 161.4 -99.0 126.3 -45.3 -9.0 31.5 535 557 A V - 0 0 41 -2,-0.4 2,-0.1 -3,-0.1 -5,-0.1 -0.838 36.7-130.6-139.0 107.3 -43.0 -8.2 34.4 536 558 A E - 0 0 119 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.306 28.3-141.7 -47.2 117.2 -43.3 -4.7 36.0 537 559 A D - 0 0 25 1,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.358 24.0 -89.8 -81.0 173.0 -39.8 -3.3 36.3 538 560 A V - 0 0 27 -2,-0.1 2,-0.4 2,-0.0 -339,-0.2 -0.507 19.6-137.0 -93.4 147.0 -38.6 -1.3 39.2 539 561 A Y - 0 0 84 -2,-0.2 4,-0.1 2,-0.2 -1,-0.0 -0.852 14.7-141.3 -95.3 136.2 -38.6 2.4 40.0 540 562 A A S S+ 0 0 3 -2,-0.4 2,-0.3 2,-0.1 -297,-0.2 0.063 82.3 45.6 -87.1 25.5 -35.3 3.7 41.6 541 563 A Y S S- 0 0 18 -299,-0.1 2,-0.3 -298,-0.1 -2,-0.2 -0.880 102.6 -67.0-148.1 177.9 -37.3 5.9 43.9 542 564 A R >> - 0 0 108 -2,-0.3 3,-2.5 1,-0.1 4,-1.1 -0.607 40.9-124.4 -72.8 134.1 -40.3 6.0 46.3 543 565 A R T 34 S+ 0 0 130 -2,-0.3 6,-0.2 1,-0.3 -1,-0.1 0.545 112.5 65.0 -53.9 -7.7 -43.6 5.6 44.5 544 566 A R T 34 S+ 0 0 156 1,-0.1 -1,-0.3 5,-0.1 5,-0.0 0.726 93.9 54.2 -87.2 -29.0 -44.3 8.8 46.3 545 567 A Q T <4 S+ 0 0 98 -3,-2.5 -2,-0.2 4,-0.0 -1,-0.1 0.884 82.7 114.3 -71.2 -36.6 -41.8 11.0 44.5 546 568 A R S < S- 0 0 62 -4,-1.1 3,-0.4 1,-0.1 -315,-0.0 0.140 73.1-128.1 -41.7 147.1 -43.1 10.1 41.1 547 569 A F S S+ 0 0 70 2,-0.2 -1,-0.1 1,-0.2 -316,-0.0 0.782 104.0 71.7 -59.5 -34.6 -44.6 12.9 39.0 548 570 A S 0 0 107 1,-0.2 -1,-0.2 -5,-0.0 -2,-0.1 0.860 360.0 360.0 -57.4 -41.4 -47.7 10.7 38.5 549 571 A V 0 0 90 -3,-0.4 -1,-0.2 -6,-0.2 -2,-0.2 0.542 360.0 360.0-106.6 360.0 -48.8 11.2 42.1 550 !* 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 0.0 551 2 B P 0 0 131 0, 0.0 2,-1.5 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 36.2 -17.5 -34.6 19.5 552 3 B R + 0 0 257 3,-0.1 2,-0.1 2,-0.1 0, 0.0 -0.651 360.0 91.2 -86.8 80.4 -14.7 -33.8 21.8 553 4 B G S S- 0 0 31 -2,-1.5 4,-0.4 65,-0.0 3,-0.0 -0.377 93.0 -67.7-144.2-143.3 -12.4 -32.2 19.2 554 5 B L S > S+ 0 0 42 -2,-0.1 4,-3.9 3,-0.1 5,-0.5 0.477 93.8 99.4-107.0 -10.3 -11.5 -28.9 17.6 555 6 B E H > S+ 0 0 45 1,-0.2 4,-1.1 2,-0.2 79,-0.1 0.893 104.7 17.5 -48.0 -51.7 -14.7 -28.3 15.7 556 7 B L H > S+ 0 0 64 -5,-0.3 4,-1.6 2,-0.2 5,-0.2 0.840 125.3 56.8 -85.5 -42.4 -15.9 -25.8 18.4 557 8 B L H > S+ 0 0 14 -4,-0.4 4,-0.5 1,-0.2 -2,-0.2 0.961 114.5 42.9 -50.5 -48.2 -12.5 -25.2 20.0 558 9 B I H >X S+ 0 0 14 -4,-3.9 4,-1.2 1,-0.2 3,-0.5 0.876 108.7 50.8 -71.9 -49.3 -11.3 -24.1 16.6 559 10 B A H 3X S+ 0 0 9 -4,-1.1 4,-1.4 -5,-0.5 -1,-0.2 0.782 117.1 42.5 -66.0 -28.4 -14.0 -22.0 15.1 560 11 B Q H 3< S+ 0 0 66 -4,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.519 103.6 65.8 -93.5 -8.6 -14.2 -19.8 18.3 561 12 B T H S+ 0 0 5 2,-0.2 4,-2.7 -4,-0.2 5,-0.3 0.812 101.2 49.0 -98.0 -48.9 -11.6 -14.4 19.3 565 16 B G H X S+ 0 0 0 -4,-0.9 4,-1.2 -3,-0.4 -2,-0.2 0.818 108.6 65.4 -54.8 -28.9 -8.4 -13.2 17.6 566 17 B F H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.934 112.4 24.5 -64.4 -52.4 -10.9 -11.4 15.5 567 18 B D H X S+ 0 0 4 -4,-0.7 4,-1.6 2,-0.3 5,-0.3 0.696 115.5 63.7 -90.1 -18.4 -12.4 -9.1 18.2 568 19 B A H < S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.1 -2,-0.2 0.851 113.2 43.1 -57.6 -33.2 -9.3 -9.2 20.3 569 20 B Q H < S+ 0 0 4 -4,-1.2 4,-0.4 -5,-0.3 3,-0.3 0.943 115.3 40.9 -78.6 -54.8 -8.2 -7.5 17.1 570 21 B Y H >X S+ 0 0 4 -4,-2.1 4,-1.6 1,-0.2 3,-1.0 0.885 107.5 59.0 -70.1 -41.7 -10.9 -5.0 16.2 571 22 B G T 3< S+ 0 0 17 -4,-1.6 4,-0.4 1,-0.3 -1,-0.2 0.796 109.3 45.3 -58.5 -33.9 -11.6 -3.6 19.6 572 23 B R T 3> S+ 0 0 63 -4,-0.5 4,-1.2 -3,-0.3 -1,-0.3 0.539 103.3 66.5 -81.8 -13.5 -8.0 -2.5 20.0 573 24 B F H <> S+ 0 0 17 -3,-1.0 4,-2.0 -4,-0.4 -2,-0.2 0.863 107.1 40.0 -68.9 -38.8 -8.4 -1.2 16.4 574 25 B L H X S+ 0 0 5 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.656 102.9 69.3 -85.1 -16.6 -10.8 1.3 18.0 575 26 B E H 4 S+ 0 0 25 -4,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 0.912 115.7 27.3 -64.9 -39.8 -8.6 1.7 21.0 576 27 B V H >X S+ 0 0 36 -4,-1.2 3,-0.8 2,-0.2 4,-0.5 0.816 112.0 65.5 -84.0 -41.4 -6.1 3.5 18.7 577 28 B T H 3< S+ 0 0 4 -4,-2.0 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