==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 28-DEC-05 2CB1 . COMPND 2 MOLECULE: O-ACETYL HOMOSERINE SULFHYDRYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.IMAGAWA,H.UTSUNOMIYA,H.TSUGE,A.EBIHARA,M.KANAGAWA, . 404 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 23 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 4.2 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 1 3 0 1 5 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 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 PARALLEL BRIDGES PER LADDER . 1 0 2 0 3 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 0 0 1 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 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 1 A M 0 0 143 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.1 10.7 25.9 71.6 2 2 A E > - 0 0 145 1,-0.1 4,-2.6 4,-0.0 3,-0.4 -0.378 360.0-101.3 -81.2 163.1 14.3 27.1 71.1 3 3 A Y H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 271,-0.1 0.857 122.5 52.3 -49.8 -44.3 17.1 24.8 70.0 4 4 A T H 4 S+ 0 0 82 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.889 111.9 47.9 -66.5 -38.0 18.5 24.5 73.6 5 5 A T H >> S+ 0 0 58 -3,-0.4 3,-1.2 1,-0.2 4,-0.9 0.937 112.4 46.7 -63.0 -50.6 15.1 23.5 74.8 6 6 A L H 3X S+ 0 0 43 -4,-2.6 4,-2.8 1,-0.2 3,-0.5 0.853 102.4 66.9 -61.4 -32.3 14.5 20.9 72.1 7 7 A A H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.693 108.7 35.1 -68.0 -23.7 17.9 19.4 72.7 8 8 A V H <4 S+ 0 0 63 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.497 130.2 32.5-104.8 -9.2 17.1 18.1 76.2 9 9 A L H >< S+ 0 0 93 -4,-0.9 3,-1.6 -3,-0.5 -2,-0.2 0.763 89.4 95.7-114.9 -41.1 13.4 17.2 75.5 10 10 A A T 3< S+ 0 0 16 -4,-2.8 54,-0.2 -5,-0.2 53,-0.0 -0.258 94.2 14.2 -59.7 134.7 13.0 16.1 71.9 11 11 A G T 3 S+ 0 0 12 1,-0.3 -1,-0.2 52,-0.2 53,-0.2 0.385 80.8 145.4 86.5 -10.3 13.0 12.4 71.3 12 12 A L < - 0 0 56 -3,-1.6 -1,-0.3 51,-0.1 10,-0.1 -0.521 51.2-121.5 -55.7 125.6 12.6 11.4 75.0 13 13 A P - 0 0 47 0, 0.0 2,-1.5 0, 0.0 8,-0.2 -0.302 13.6-112.5 -72.9 155.3 10.5 8.2 74.9 14 14 A E - 0 0 198 3,-0.0 5,-0.0 2,-0.0 -2,-0.0 -0.717 46.9-161.0 -81.4 86.5 7.1 7.8 76.6 15 15 A D > - 0 0 28 -2,-1.5 3,-1.5 4,-0.4 7,-0.0 -0.528 23.0-130.7 -78.1 140.7 8.5 5.3 79.0 16 16 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.746 109.2 44.0 -61.4 -19.1 6.1 3.0 80.8 17 17 A H T 3 S- 0 0 172 2,-0.0 -2,-0.0 0, 0.0 -3,-0.0 0.413 117.8-106.2-103.2 -2.5 7.8 3.9 84.1 18 18 A G < - 0 0 55 -3,-1.5 -4,-0.0 1,-0.2 0, 0.0 0.557 53.1-177.6 88.0 4.4 8.2 7.6 83.6 19 19 A A - 0 0 47 1,-0.1 2,-1.3 -5,-0.0 -4,-0.4 -0.052 23.7-143.0 -44.9 127.9 12.0 7.2 83.0 20 20 A V S S+ 0 0 143 2,-0.1 2,-0.3 -8,-0.0 -1,-0.1 -0.718 75.9 18.9 -98.2 80.9 13.6 10.6 82.4 21 21 A G S S- 0 0 21 -2,-1.3 -6,-0.1 -8,-0.2 -3,-0.0 -0.969 99.3 -55.1 152.9-156.5 16.1 9.5 79.8 22 22 A L - 0 0 14 -2,-0.3 -2,-0.1 -10,-0.1 245,-0.0 -0.894 34.0-144.9-128.7 103.6 16.7 6.7 77.4 23 23 A P - 0 0 51 0, 0.0 2,-0.8 0, 0.0 -2,-0.0 -0.285 29.2-118.9 -60.6 151.5 16.9 3.0 78.1 24 24 A I - 0 0 63 1,-0.1 2,-1.8 2,-0.1 237,-0.1 -0.836 15.9-151.3 -98.4 111.4 19.4 1.1 75.9 25 25 A Y + 0 0 98 -2,-0.8 2,-1.8 1,-0.1 32,-0.2 -0.493 26.5 166.5 -83.0 72.2 17.7 -1.5 73.8 26 26 A A + 0 0 58 -2,-1.8 2,-0.3 234,-0.1 -1,-0.1 -0.482 38.1 116.1 -85.6 65.7 20.7 -3.8 73.5 27 27 A V - 0 0 64 -2,-1.8 3,-0.1 1,-0.1 -2,-0.0 -0.988 56.1-153.2-136.0 137.5 18.4 -6.6 72.2 28 28 A A S S+ 0 0 60 -2,-0.3 23,-3.1 1,-0.1 2,-0.3 0.818 72.8 26.1 -81.8 -37.8 18.6 -8.2 68.7 29 29 A A B -A 50 0A 65 21,-0.2 2,-0.5 22,-0.1 21,-0.3 -0.908 57.0-145.1-137.8 160.2 15.0 -9.3 68.3 30 30 A Y - 0 0 37 19,-1.8 2,-0.1 -2,-0.3 -3,-0.0 -0.987 26.2-139.6-128.0 127.1 11.4 -8.6 69.3 31 31 A G - 0 0 59 -2,-0.5 2,-0.3 2,-0.0 17,-0.1 -0.317 9.7-155.9 -91.6 168.8 8.9 -11.5 69.7 32 32 A F - 0 0 94 -2,-0.1 3,-0.0 1,-0.1 4,-0.0 -0.944 19.1-131.9-142.2 157.8 5.2 -11.9 68.7 33 33 A K S S+ 0 0 193 -2,-0.3 2,-0.3 1,-0.1 3,-0.1 0.732 81.9 28.1 -93.6 -18.1 2.5 -14.1 70.0 34 34 A T S > S- 0 0 69 1,-0.1 4,-2.1 0, 0.0 5,-0.2 -0.923 76.3-111.7-138.9 163.0 1.0 -15.5 66.8 35 35 A L H > S+ 0 0 125 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.936 119.8 51.8 -52.1 -45.7 1.9 -16.4 63.3 36 36 A E H > S+ 0 0 119 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.845 104.9 51.7 -64.2 -38.4 -0.3 -13.5 62.2 37 37 A E H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.951 112.1 48.4 -64.6 -47.6 1.2 -10.8 64.5 38 38 A G H X S+ 0 0 4 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.901 111.5 50.2 -52.2 -48.0 4.6 -11.7 63.1 39 39 A Q H X S+ 0 0 124 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.893 109.6 50.3 -62.3 -44.6 3.3 -11.6 59.5 40 40 A E H X S+ 0 0 123 -4,-2.6 4,-2.5 2,-0.2 6,-0.4 0.897 108.7 50.8 -63.6 -41.1 1.7 -8.1 60.1 41 41 A R H X S+ 0 0 48 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.918 113.2 47.8 -63.7 -38.6 4.9 -6.5 61.6 42 42 A F H < S+ 0 0 147 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.900 115.0 44.9 -65.4 -39.3 6.9 -7.8 58.6 43 43 A A H < S+ 0 0 82 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.915 125.7 28.3 -69.2 -46.7 4.3 -6.5 56.0 44 44 A T H < S- 0 0 58 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.618 92.7-132.7 -96.7 -14.6 3.7 -3.0 57.5 45 45 A G < + 0 0 47 -4,-1.7 2,-0.2 -5,-0.3 -4,-0.1 0.604 61.7 136.5 65.5 11.9 7.1 -2.4 59.1 46 46 A E + 0 0 124 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.595 53.9 12.8 -89.8 159.0 5.3 -1.3 62.2 47 47 A G S S- 0 0 40 -2,-0.2 2,-0.3 -3,-0.1 -17,-0.0 -0.114 101.4 -65.7 64.7-175.3 6.4 -2.4 65.7 48 48 A Y + 0 0 31 1,-0.1 3,-0.1 -17,-0.1 7,-0.1 -0.813 51.0 153.1-111.0 150.9 9.8 -4.0 66.1 49 49 A V S S+ 0 0 27 1,-0.4 -19,-1.8 -2,-0.3 2,-0.3 0.563 70.1 9.1-134.3 -36.2 11.2 -7.3 64.9 50 50 A Y B >> -A 29 0A 101 -21,-0.3 4,-1.3 4,-0.2 3,-1.1 -0.989 62.8-127.9-156.2 138.3 15.0 -7.2 64.5 51 51 A A T 34 S+ 0 0 33 -23,-3.1 -22,-0.1 -2,-0.3 -23,-0.1 0.726 100.0 69.4 -72.2 -23.0 17.5 -4.5 65.5 52 52 A R T 34 S+ 0 0 87 -24,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.862 105.9 41.8 -62.7 -33.4 19.2 -4.1 62.1 53 53 A Q T <4 S- 0 0 56 -3,-1.1 2,-0.3 1,-0.3 -2,-0.2 0.933 134.1 -26.8 -75.5 -47.6 16.0 -2.5 60.6 54 54 A K < - 0 0 67 -4,-1.3 -1,-0.3 197,-0.1 -5,-0.2 -0.970 52.2-167.0-165.5 161.1 15.2 -0.2 63.7 55 55 A D > - 0 0 8 -2,-0.3 4,-2.1 -3,-0.1 5,-0.1 -0.976 32.5-119.7-153.9 139.3 15.6 -0.1 67.5 56 56 A P H > S+ 0 0 20 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.804 112.2 53.5 -60.7 -26.2 13.9 2.2 70.1 57 57 A T H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.942 110.5 44.1 -75.1 -49.0 17.1 3.8 71.2 58 58 A A H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.879 110.6 59.1 -55.4 -39.4 18.2 4.8 67.7 59 59 A K H X S+ 0 0 85 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.944 103.1 51.0 -60.6 -42.9 14.6 6.1 67.1 60 60 A A H X S+ 0 0 2 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.899 110.2 48.5 -58.0 -41.5 14.9 8.5 70.0 61 61 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.877 111.2 50.9 -69.5 -38.4 18.2 9.8 68.6 62 62 A E H X S+ 0 0 21 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.928 110.3 49.9 -57.2 -49.4 16.6 10.2 65.1 63 63 A E H X S+ 0 0 92 -4,-2.9 4,-1.8 1,-0.2 -52,-0.2 0.903 112.7 46.3 -64.0 -36.2 13.6 12.1 66.7 64 64 A R H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.956 113.7 46.9 -69.4 -45.7 15.9 14.4 68.6 65 65 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.870 109.5 56.1 -62.7 -39.8 18.2 15.1 65.5 66 66 A K H X>S+ 0 0 88 -4,-3.1 5,-2.2 2,-0.2 4,-1.6 0.927 110.0 45.4 -50.8 -49.6 15.0 15.7 63.4 67 67 A A H <5S+ 0 0 33 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.913 115.4 47.2 -61.4 -36.6 13.9 18.4 65.9 68 68 A L H <5S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.848 118.6 37.3 -82.9 -37.1 17.3 19.9 66.0 69 69 A E H <5S- 0 0 1 -4,-2.4 121,-0.3 -5,-0.2 -1,-0.2 0.647 107.5-124.3 -83.4 -15.4 18.0 20.1 62.2 70 70 A G T <5 + 0 0 55 -4,-1.6 -3,-0.2 -5,-0.3 2,-0.2 0.910 57.5 157.3 76.2 41.5 14.3 20.9 61.6 71 71 A A < - 0 0 11 -5,-2.2 147,-0.2 -6,-0.2 -1,-0.2 -0.505 57.3-126.9 -95.3 167.8 13.9 17.9 59.3 72 72 A L S S- 0 0 45 145,-2.5 2,-0.3 1,-0.3 146,-0.2 0.861 92.2 -11.6 -68.1 -44.2 11.1 15.7 58.0 73 73 A E E -B 217 0B 17 144,-1.3 144,-1.7 -7,-0.1 2,-0.3 -0.979 59.6-151.2-158.9 147.2 12.9 12.5 59.0 74 74 A A E -B 216 0B 4 -2,-0.3 2,-0.4 142,-0.2 142,-0.2 -0.962 4.3-166.0-122.7 148.4 16.3 11.3 60.3 75 75 A V E -B 215 0B 1 140,-2.6 140,-2.8 -2,-0.3 2,-0.3 -1.000 12.8-150.8-128.5 127.9 18.0 8.0 59.9 76 76 A V E +B 214 0B 3 -2,-0.4 182,-0.3 138,-0.2 2,-0.2 -0.788 17.3 176.8-102.7 152.1 21.1 7.1 62.0 77 77 A L E -B 213 0B 0 136,-2.0 136,-2.1 -2,-0.3 180,-0.2 -0.802 46.2 -81.5-147.2 177.2 23.9 4.8 60.9 78 78 A A S S- 0 0 35 178,-1.9 2,-0.3 -2,-0.2 181,-0.1 0.685 101.2 -9.8 -67.7 -20.9 27.2 3.4 62.2 79 79 A S S > S- 0 0 20 177,-0.2 4,-1.3 133,-0.2 134,-0.4 -0.945 70.2 -96.1-164.8 164.6 29.3 6.5 61.2 80 80 A G H > S+ 0 0 0 132,-0.5 4,-2.4 -2,-0.3 3,-0.3 0.902 124.7 52.5 -50.7 -48.6 29.4 9.8 59.3 81 81 A Q H > S+ 0 0 36 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.886 106.4 52.3 -56.9 -43.9 31.0 7.9 56.4 82 82 A A H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.831 110.5 49.1 -63.0 -37.2 28.1 5.3 56.4 83 83 A A H X S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.3 -1,-0.2 0.878 110.8 47.6 -68.3 -49.8 25.6 8.2 56.2 84 84 A T H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 5,-0.2 0.958 117.6 45.7 -54.7 -50.2 27.3 10.0 53.3 85 85 A F H X S+ 0 0 36 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.930 113.5 46.7 -61.3 -46.1 27.5 6.6 51.6 86 86 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.872 110.5 52.8 -63.7 -41.8 23.9 5.5 52.3 87 87 A A H < S+ 0 0 0 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.883 114.7 41.2 -57.8 -45.6 22.4 8.8 51.2 88 88 A L H >X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 3,-0.8 0.878 111.3 56.1 -72.9 -42.8 24.2 8.7 47.8 89 89 A L H 3< S+ 0 0 40 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.863 107.6 50.3 -54.5 -38.4 23.4 5.0 47.4 90 90 A A T 3< S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.680 118.6 38.8 -75.1 -17.9 19.7 5.8 47.8 91 91 A L T <4 S+ 0 0 0 -3,-0.8 -2,-0.2 -4,-0.5 2,-0.2 0.744 104.3 71.9 -96.3 -33.4 19.9 8.6 45.2 92 92 A L < - 0 0 13 -4,-2.2 29,-0.0 4,-0.1 6,-0.0 -0.557 46.5-170.6-111.1 156.2 22.2 7.3 42.4 93 93 A R > - 0 0 86 -2,-0.2 3,-2.3 27,-0.1 26,-0.1 -0.882 50.1 -75.8-130.9 158.9 22.3 4.7 39.6 94 94 A P T 3 S+ 0 0 102 0, 0.0 26,-0.2 0, 0.0 27,-0.2 -0.363 122.0 30.1 -58.1 133.7 25.2 3.5 37.4 95 95 A G T 3 S+ 0 0 39 25,-2.4 26,-0.1 1,-0.3 25,-0.1 0.236 90.9 126.4 99.1 -14.5 25.9 6.3 34.9 96 96 A D < - 0 0 10 -3,-2.3 26,-1.9 45,-0.0 2,-0.4 -0.309 49.2-140.9 -68.9 164.3 24.8 9.2 37.1 97 97 A E E -cd 122 141B 5 43,-2.3 45,-2.9 24,-0.2 46,-0.7 -0.964 6.6-154.6-122.3 147.7 27.1 12.1 37.9 98 98 A V E -cd 123 143B 0 24,-2.7 26,-3.2 -2,-0.4 2,-0.6 -0.961 7.8-149.3-111.8 141.3 27.6 14.0 41.0 99 99 A V E -cd 124 144B 1 44,-2.4 46,-2.2 -2,-0.4 2,-0.3 -0.943 29.2-178.0-106.1 114.3 28.8 17.6 41.1 100 100 A A E -cd 125 145B 1 24,-1.9 26,-2.1 -2,-0.6 46,-0.2 -0.818 30.1-106.1-119.5 140.5 30.8 17.9 44.4 101 101 A A E > -c 126 0B 5 44,-2.6 3,-0.6 -2,-0.3 26,-0.2 -0.333 28.1-129.2 -55.6 149.0 32.6 20.9 46.1 102 102 A K T 3 S+ 0 0 61 24,-1.9 -1,-0.1 1,-0.2 25,-0.1 0.751 95.8 67.5 -69.2 -27.5 36.4 20.7 45.8 103 103 A G T 3 S+ 0 0 8 23,-0.3 50,-0.4 44,-0.1 48,-0.3 0.386 75.6 149.9 -82.0 21.0 37.2 21.3 49.5 104 104 A L < - 0 0 2 -3,-0.6 46,-0.1 1,-0.1 5,-0.0 0.193 57.1 -86.0 -75.6 162.4 35.8 18.0 50.8 105 105 A F >> - 0 0 33 1,-0.1 4,-2.2 2,-0.1 3,-0.9 -0.297 46.0-120.6 -47.6 133.9 36.7 15.7 53.8 106 106 A G H 3> S+ 0 0 12 1,-0.3 4,-2.9 2,-0.2 -1,-0.1 0.868 112.6 50.2 -58.4 -39.3 39.4 13.3 52.6 107 107 A Q H 3> S+ 0 0 82 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.745 105.9 56.5 -69.6 -24.5 37.4 10.2 53.2 108 108 A T H <> S+ 0 0 0 -3,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.946 110.9 44.3 -69.9 -42.0 34.5 11.7 51.3 109 109 A I H X S+ 0 0 31 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.946 115.5 48.7 -62.6 -42.9 36.9 12.1 48.3 110 110 A G H X S+ 0 0 13 -4,-2.9 4,-2.9 1,-0.2 5,-0.5 0.924 111.1 48.5 -60.2 -47.8 38.1 8.6 48.9 111 111 A L H X>S+ 0 0 21 -4,-2.7 5,-2.5 2,-0.2 4,-1.8 0.910 113.9 48.0 -57.3 -43.2 34.6 7.2 49.1 112 112 A F H <>S+ 0 0 5 -4,-2.5 5,-0.7 3,-0.2 -2,-0.2 0.953 118.4 40.5 -63.5 -45.6 33.7 9.1 45.9 113 113 A G H <5S+ 0 0 45 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.832 127.4 27.5 -68.0 -37.2 36.9 7.8 44.1 114 114 A Q H <5S+ 0 0 116 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.692 132.3 24.0-109.8 -19.8 37.0 4.2 45.3 115 115 A V T >X5S+ 0 0 50 -4,-1.8 4,-0.9 -5,-0.5 3,-0.7 0.786 118.9 49.7-116.8 -51.1 33.4 3.2 46.1 116 116 A L T 34XS+ 0 0 0 -5,-2.5 5,-2.5 1,-0.2 3,-0.3 0.830 106.6 61.6 -63.7 -25.1 31.1 5.4 44.0 117 117 A S T >4 S- 0 0 70 -2,-2.6 4,-2.3 28,-0.1 3,-0.4 -0.986 76.2-110.9-143.6 136.8 29.4 28.4 44.0 130 130 A P H > S+ 0 0 21 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.835 112.2 43.6 -46.5 -45.8 26.2 28.7 41.8 131 131 A E H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.914 113.6 48.9 -72.9 -39.6 27.8 29.5 38.5 132 132 A A H > S+ 0 0 26 -3,-0.4 4,-0.6 2,-0.2 -1,-0.2 0.893 115.5 46.7 -64.7 -37.3 30.5 27.0 38.7 133 133 A V H >X S+ 0 0 2 -4,-2.3 3,-1.2 2,-0.2 4,-1.0 0.973 111.0 51.6 -65.3 -55.9 27.9 24.4 39.7 134 134 A R H >< S+ 0 0 112 -4,-2.9 3,-1.1 1,-0.3 -2,-0.2 0.916 109.1 50.6 -36.5 -55.6 25.4 25.5 36.8 135 135 A E H 3< S+ 0 0 142 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.672 108.3 53.6 -74.1 -11.7 28.2 25.2 34.3 136 136 A A H << S+ 0 0 9 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.640 84.1 111.2 -91.3 -14.0 28.9 21.7 35.6 137 137 A L << + 0 0 53 -3,-1.1 2,-0.3 -4,-1.0 -39,-0.0 -0.272 41.1 172.1 -56.6 140.0 25.3 20.4 35.2 138 138 A S > - 0 0 46 -41,-0.1 3,-1.5 0, 0.0 -41,-0.1 -0.868 52.5 -91.9-135.9 178.3 24.6 17.8 32.6 139 139 A A T 3 S+ 0 0 89 -2,-0.3 -2,-0.1 1,-0.3 -42,-0.0 0.734 127.2 51.7 -59.3 -23.6 21.7 15.6 31.6 140 140 A K T 3 S+ 0 0 106 -44,-0.1 -43,-2.3 -42,-0.0 -1,-0.3 0.462 76.2 120.9 -97.3 -2.8 23.2 13.0 34.0 141 141 A T E < +d 97 0B 2 -3,-1.5 -43,-0.2 -45,-0.2 3,-0.1 -0.426 26.4 166.2 -65.5 129.2 23.7 15.2 37.1 142 142 A R E + 0 0 72 -45,-2.9 30,-1.1 1,-0.4 2,-0.3 0.438 60.1 17.9-121.5 -2.2 21.7 13.6 40.0 143 143 A A E -de 98 172B 0 -46,-0.7 -44,-2.4 28,-0.2 2,-0.5 -0.965 51.7-147.6-168.1 144.0 23.1 15.5 43.0 144 144 A V E -de 99 173B 2 28,-2.8 30,-3.5 -2,-0.3 2,-0.5 -0.997 27.1-163.9-115.2 119.8 25.1 18.5 44.0 145 145 A F E +de 100 174B 0 -46,-2.2 -44,-2.6 -2,-0.5 2,-0.3 -0.938 19.4 152.3-111.9 117.8 27.2 17.7 47.2 146 146 A V E - e 0 175B 2 28,-2.2 30,-3.0 -2,-0.5 2,-0.4 -0.876 37.2-122.5-131.5 170.2 28.8 20.4 49.4 147 147 A E E - e 0 176B 6 -2,-0.3 3,-0.2 28,-0.2 30,-0.2 -0.892 24.7-122.7-111.5 142.9 29.8 20.8 53.1 148 148 A T S S+ 0 0 0 28,-2.6 2,-0.4 -2,-0.4 29,-0.1 0.851 104.8 13.2 -49.4 -45.2 28.4 23.5 55.3 149 149 A V S S- 0 0 6 27,-0.4 -1,-0.2 7,-0.2 7,-0.2 -0.978 93.2-119.7-132.2 122.0 31.9 24.8 56.0 150 150 A A > - 0 0 10 5,-2.9 4,-2.6 -2,-0.4 -46,-0.1 -0.359 37.6-108.7 -61.9 136.3 34.7 23.5 53.8 151 151 A N T 4 S- 0 0 1 -48,-0.3 -1,-0.1 1,-0.3 226,-0.0 -0.933 90.8 -12.5-119.9 122.9 37.3 21.7 55.8 152 152 A P T 4 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.938 129.7 68.0 -91.9 11.9 40.0 23.0 56.2 153 153 A A T 4 S- 0 0 11 223,-0.4 -2,-0.2 -50,-0.4 -3,-0.1 0.702 85.9-147.2 -65.7 -17.8 39.5 25.7 53.5 154 154 A L < + 0 0 3 -4,-2.6 2,-0.4 1,-0.2 156,-0.2 0.913 41.8 148.5 48.1 51.7 36.8 27.3 55.8 155 155 A L - 0 0 69 -5,-0.1 -5,-2.9 154,-0.1 -1,-0.2 -0.972 38.7-146.7-108.9 139.6 34.7 28.5 53.0 156 156 A V - 0 0 8 -2,-0.4 157,-0.2 -7,-0.2 -7,-0.2 -0.924 17.6-135.4-105.9 116.1 30.9 28.7 53.5 157 157 A P - 0 0 6 0, 0.0 2,-1.7 0, 0.0 3,-0.1 -0.282 25.3-105.7 -65.5 155.6 28.8 28.0 50.3 158 158 A D > - 0 0 35 -30,-0.5 4,-2.5 1,-0.2 5,-0.2 -0.640 47.1-179.9 -80.5 80.7 25.9 30.2 49.4 159 159 A L H > S+ 0 0 1 -2,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.828 71.9 53.3 -59.7 -41.0 23.4 27.4 50.4 160 160 A E H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 113.1 43.2 -65.3 -43.9 20.2 29.2 49.6 161 161 A A H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.857 113.7 51.6 -69.9 -36.6 21.3 30.0 46.0 162 162 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.854 110.4 49.6 -61.6 -38.9 22.7 26.5 45.6 163 163 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.902 109.3 51.2 -68.3 -42.7 19.3 25.1 46.8 164 164 A T H X S+ 0 0 57 -4,-2.2 4,-3.2 -5,-0.2 -2,-0.2 0.952 113.5 45.9 -56.5 -45.4 17.3 27.3 44.4 165 165 A L H X S+ 0 0 13 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.929 113.5 47.2 -62.3 -47.6 19.6 26.0 41.5 166 166 A A H X>S+ 0 0 2 -4,-2.5 5,-2.6 2,-0.2 4,-0.9 0.946 113.2 48.9 -58.8 -48.6 19.3 22.4 42.5 167 167 A E H ><5S+ 0 0 83 -4,-2.7 3,-1.4 2,-0.2 -2,-0.2 0.962 113.4 48.3 -57.5 -52.5 15.5 22.7 42.9 168 168 A E H 3<5S+ 0 0 154 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.897 113.2 46.5 -55.6 -42.6 15.4 24.4 39.4 169 169 A A H 3<5S- 0 0 49 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.517 113.0-117.2 -71.6 -11.6 17.6 21.7 37.8 170 170 A G T <<5S+ 0 0 28 -3,-1.4 2,-0.3 -4,-0.9 -3,-0.2 0.807 74.7 119.7 76.7 29.9 15.5 18.8 39.4 171 171 A V < - 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