==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-SEP-09 3JYP . COMPND 2 MOLECULE: QUINATE/SHIKIMATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR A.HOEPPNER,D.SCHOMBURG,K.NIEFIND . 282 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.2 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 0.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 12 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 0 0 1 1 1 0 2 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 3 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 PARALLEL BRIDGES PER LADDER . 0 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 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 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 2 A N 0 0 163 0, 0.0 31,-0.4 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 34.3 -4.1 41.2 9.1 2 3 A D - 0 0 122 29,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.251 360.0-109.8 -56.9 134.5 -4.3 45.0 8.4 3 4 A S - 0 0 88 28,-0.1 2,-0.4 1,-0.1 30,-0.2 -0.260 27.3-135.3 -69.2 156.5 -2.3 46.2 5.4 4 5 A I E -a 33 0A 7 28,-2.5 30,-2.4 27,-0.1 2,-0.5 -0.922 12.8-163.3-120.4 135.2 0.8 48.3 5.9 5 6 A L E +a 34 0A 44 -2,-0.4 58,-3.3 56,-0.2 59,-1.0 -0.975 20.8 156.4-127.6 120.1 1.8 51.4 3.9 6 7 A L E -ab 35 64A 0 28,-2.8 30,-2.4 -2,-0.5 2,-0.3 -0.881 12.1-178.8-135.7 163.7 5.3 52.8 3.9 7 8 A G E -ab 36 65A 0 57,-0.9 59,-2.9 -2,-0.3 2,-0.4 -0.978 23.4-126.6-158.8 174.5 7.5 54.9 1.7 8 9 A L E -ab 37 66A 10 28,-2.0 30,-2.9 -2,-0.3 2,-0.6 -0.988 17.5-156.5-128.4 117.9 11.0 56.4 1.3 9 10 A I E +ab 38 67A 0 57,-2.5 59,-2.7 -2,-0.4 2,-0.3 -0.847 47.9 88.0 -97.8 125.5 11.5 60.2 0.7 10 11 A G E S-a 39 0A 0 28,-1.8 30,-2.2 -2,-0.6 2,-0.4 -0.971 71.2 -72.3 175.7-170.2 14.7 61.1 -1.1 11 12 A Q S S+ 0 0 72 58,-2.0 58,-0.1 -2,-0.3 28,-0.1 -0.947 99.0 9.4-115.7 134.3 16.5 61.6 -4.4 12 13 A G S S+ 0 0 56 -2,-0.4 3,-0.3 1,-0.1 -1,-0.2 0.973 70.8 156.7 71.3 59.0 17.5 58.9 -6.9 13 14 A L > + 0 0 8 -3,-0.2 3,-1.8 1,-0.2 -1,-0.1 0.344 31.1 108.4-101.0 1.7 15.8 55.9 -5.3 14 15 A D T 3 S+ 0 0 128 1,-0.3 -1,-0.2 3,-0.0 23,-0.0 0.841 84.5 43.4 -55.9 -39.0 15.4 53.5 -8.2 15 16 A L T 3 S+ 0 0 154 -3,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.414 81.5 129.9 -91.9 2.8 18.0 51.0 -7.0 16 17 A S < - 0 0 25 -3,-1.8 4,-0.3 1,-0.2 21,-0.1 -0.332 42.9-162.4 -57.6 135.7 17.0 51.0 -3.4 17 18 A R S > S+ 0 0 27 1,-0.1 4,-1.8 2,-0.1 -1,-0.2 0.437 73.7 88.1 -91.9 -4.4 16.6 47.5 -1.9 18 19 A T H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.926 81.9 53.5 -66.6 -45.2 14.6 48.9 1.1 19 20 A P H > S+ 0 0 5 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.937 110.2 47.8 -55.7 -45.8 11.1 48.8 -0.6 20 21 A A H > S+ 0 0 31 -4,-0.3 4,-2.4 1,-0.2 5,-0.3 0.883 108.9 54.3 -63.3 -41.1 11.5 45.1 -1.5 21 22 A M H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.943 113.8 40.5 -58.6 -47.0 12.7 44.1 2.0 22 23 A H H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.908 114.0 52.1 -71.3 -40.8 9.7 45.7 3.7 23 24 A E H X S+ 0 0 69 -4,-2.7 4,-1.9 -5,-0.3 10,-0.3 0.928 113.3 44.6 -60.6 -44.6 7.1 44.5 1.2 24 25 A A H X S+ 0 0 41 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.900 114.0 48.5 -68.1 -40.0 8.4 40.9 1.4 25 26 A E H X S+ 0 0 2 -4,-1.9 4,-1.3 -5,-0.3 -2,-0.2 0.899 109.7 51.1 -72.9 -38.1 8.6 40.9 5.2 26 27 A G H ><>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 3,-0.8 0.960 112.7 47.0 -58.0 -48.4 5.1 42.3 5.7 27 28 A L H ><5S+ 0 0 120 -4,-1.9 3,-2.0 1,-0.3 -2,-0.2 0.900 107.1 56.8 -62.0 -39.5 3.7 39.7 3.4 28 29 A A H 3<5S+ 0 0 51 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.786 108.0 49.2 -63.5 -25.3 5.6 37.0 5.2 29 30 A Q T <<5S- 0 0 60 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.194 127.0 -99.8 -99.5 17.5 3.9 38.1 8.4 30 31 A G T < 5S+ 0 0 46 -3,-2.0 2,-0.5 1,-0.1 -3,-0.2 0.718 87.5 115.8 79.2 24.5 0.5 38.0 6.8 31 32 A R < - 0 0 58 -5,-2.5 -2,-0.2 -6,-0.2 -1,-0.1 -0.925 66.0-128.2-130.8 109.2 0.1 41.8 6.1 32 33 A A - 0 0 59 -2,-0.5 -28,-2.5 -31,-0.4 2,-0.4 -0.315 36.7-164.4 -52.6 128.2 -0.1 43.1 2.5 33 34 A T E -a 4 0A 13 -10,-0.3 2,-0.5 -30,-0.2 -28,-0.2 -0.983 19.4-168.0-130.7 127.9 2.5 45.8 2.4 34 35 A V E -a 5 0A 56 -30,-2.4 -28,-2.8 -2,-0.4 2,-0.4 -0.964 5.2-177.2-110.1 131.2 3.2 48.6 -0.0 35 36 A Y E -a 6 0A 3 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.3 -0.949 13.1-166.1-128.7 106.4 6.5 50.5 0.2 36 37 A R E -a 7 0A 144 -30,-2.4 -28,-2.0 -2,-0.4 2,-0.2 -0.799 20.9-128.4 -98.0 136.1 6.7 53.3 -2.3 37 38 A R E -a 8 0A 99 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.574 16.7-163.1 -65.8 137.1 9.7 55.3 -3.4 38 39 A I E -a 9 0A 28 -30,-2.9 -28,-1.8 -2,-0.2 2,-0.7 -0.811 19.6-178.5-125.2 81.6 8.8 59.0 -3.1 39 40 A D E > -a 10 0A 21 -2,-0.4 3,-2.0 -30,-0.2 6,-0.7 -0.773 26.0-159.6-100.0 113.0 11.6 60.3 -5.3 40 41 A T T 3 S+ 0 0 12 -30,-2.2 7,-0.5 -2,-0.7 -29,-0.2 0.484 95.4 57.0 -76.6 2.1 11.9 64.1 -5.7 41 42 A L T 3 S+ 0 0 116 -31,-0.3 -1,-0.3 5,-0.1 2,-0.1 0.497 99.5 84.1 -93.6 -9.3 13.9 63.6 -8.9 42 43 A G S <> S- 0 0 24 -3,-2.0 4,-1.6 1,-0.1 -4,-0.0 -0.342 93.4 -98.8 -95.3 177.3 11.1 61.6 -10.4 43 44 A S T 4 S+ 0 0 116 1,-0.2 -3,-0.1 2,-0.2 -1,-0.1 0.768 114.1 47.2 -64.7 -32.5 7.8 62.3 -12.2 44 45 A R T 4 S+ 0 0 238 -5,-0.1 -1,-0.2 1,-0.1 -4,-0.1 0.955 124.8 19.7 -76.6 -51.4 5.5 62.0 -9.2 45 46 A A T >4 S+ 0 0 7 -6,-0.7 3,-1.7 2,-0.1 -2,-0.2 0.406 81.6 130.8-108.7 2.0 7.2 64.0 -6.5 46 47 A S T 3< S+ 0 0 62 -4,-1.6 -5,-0.1 1,-0.2 3,-0.1 -0.339 75.2 19.7 -68.3 137.7 9.7 66.4 -8.1 47 48 A G T 3 S+ 0 0 72 -7,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.217 94.0 125.5 92.5 -13.1 9.5 70.1 -7.1 48 49 A Q < - 0 0 88 -3,-1.7 -1,-0.3 1,-0.1 2,-0.1 -0.602 61.2-120.5 -85.5 143.3 7.7 69.3 -3.9 49 50 A D > - 0 0 118 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.403 24.3-114.2 -73.2 151.2 8.9 70.5 -0.5 50 51 A L H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.895 116.8 53.9 -52.7 -43.8 9.8 67.9 2.1 51 52 A K H > S+ 0 0 112 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.923 105.4 53.7 -62.0 -41.0 6.9 69.2 4.3 52 53 A T H > S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 112.2 44.7 -57.2 -42.6 4.4 68.7 1.5 53 54 A L H X S+ 0 0 17 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.877 113.4 49.0 -72.3 -41.5 5.5 65.1 1.1 54 55 A L H X S+ 0 0 2 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.955 112.8 47.8 -60.3 -49.6 5.5 64.4 4.8 55 56 A D H X S+ 0 0 32 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.905 108.0 56.6 -58.9 -42.8 2.1 65.9 5.2 56 57 A A H X S+ 0 0 43 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.917 105.1 51.4 -54.3 -46.5 0.8 63.9 2.2 57 58 A A H <>S+ 0 0 4 -4,-1.9 5,-2.3 1,-0.2 -1,-0.2 0.878 109.9 50.2 -61.3 -36.8 1.9 60.7 3.9 58 59 A L H ><5S+ 0 0 44 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.958 112.0 46.8 -63.7 -50.7 -0.0 61.6 7.0 59 60 A Y H 3<5S+ 0 0 166 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.842 111.9 49.5 -61.9 -35.5 -3.2 62.4 5.1 60 61 A L T 3<5S- 0 0 133 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.183 118.6 -99.2-104.5 20.8 -3.2 59.3 3.0 61 62 A G T < 5 + 0 0 47 -3,-1.3 -56,-0.2 1,-0.2 -3,-0.2 0.665 57.0 165.6 85.3 21.7 -2.7 56.8 5.7 62 63 A F < - 0 0 32 -5,-2.3 -1,-0.2 -6,-0.2 -56,-0.2 -0.429 26.4-156.6 -65.1 145.0 1.0 55.9 5.7 63 64 A N - 0 0 53 -58,-3.3 34,-2.1 1,-0.3 2,-0.3 0.559 69.6 -13.2 -96.1 -13.0 2.2 54.0 8.7 64 65 A G E -bC 6 96A 0 -59,-1.0 -57,-0.9 32,-0.2 2,-0.3 -0.968 54.2-148.8-178.4 162.1 5.8 55.1 8.3 65 66 A L E -bC 7 95A 0 30,-2.3 30,-3.3 -2,-0.3 2,-0.3 -0.992 10.2-144.1-138.3 146.0 8.5 56.6 6.1 66 67 A N E -bC 8 94A 3 -59,-2.9 -57,-2.5 -2,-0.3 2,-0.4 -0.810 21.0-151.5 -96.5 157.4 12.2 56.2 5.7 67 68 A I E +b 9 0A 2 26,-1.8 2,-0.2 -2,-0.3 -57,-0.2 -0.993 19.3 169.5-130.4 129.9 14.1 59.4 4.9 68 69 A T > - 0 0 40 -59,-2.7 3,-2.7 -2,-0.4 4,-0.1 -0.664 36.1 -1.4-129.6-173.2 17.2 59.5 2.9 69 70 A H T 3 S+ 0 0 131 1,-0.3 -58,-2.0 -2,-0.2 -1,-0.2 -0.265 120.1 14.4 -54.5 138.6 19.5 62.1 1.2 70 71 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 -0.819 126.2 53.2 -97.2 31.6 19.2 65.0 1.1 71 72 A Y <> + 0 0 29 -3,-2.7 4,-2.0 -62,-0.2 -2,-0.2 0.397 67.8 100.7-111.0 1.9 16.5 65.1 3.8 72 73 A K T 4 S+ 0 0 42 1,-0.2 20,-2.4 2,-0.2 4,-0.2 0.810 97.8 31.3 -67.4 -28.3 17.8 63.3 6.9 73 74 A Q T >4 S+ 0 0 141 18,-0.2 3,-1.1 -3,-0.2 -1,-0.2 0.848 116.4 56.9 -87.8 -42.5 18.6 66.6 8.7 74 75 A A T 34 S+ 0 0 52 -4,-0.3 4,-0.3 1,-0.2 -2,-0.2 0.778 98.2 63.2 -60.1 -28.4 15.9 68.7 7.2 75 76 A V T >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 4,-0.5 0.785 81.7 80.8 -71.2 -25.8 13.2 66.4 8.4 76 77 A L G X S+ 0 0 28 -3,-1.1 3,-1.7 1,-0.3 -1,-0.2 0.875 90.3 47.7 -53.5 -51.5 13.8 66.8 12.2 77 78 A P G 3 S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.638 106.6 61.0 -67.7 -10.4 12.0 70.1 12.8 78 79 A L G < S+ 0 0 58 -3,-1.6 2,-0.2 -4,-0.3 -2,-0.2 0.549 90.8 87.0 -86.9 -10.6 9.0 68.8 10.8 79 80 A L S < S- 0 0 17 -3,-1.7 25,-0.1 -4,-0.5 3,-0.1 -0.589 72.8-136.4 -96.8 153.3 8.3 65.9 13.2 80 81 A D S S+ 0 0 91 23,-0.4 2,-0.3 1,-0.2 24,-0.2 0.888 89.8 7.5 -69.7 -40.2 6.3 65.8 16.4 81 82 A E E -d 104 0A 113 22,-1.8 24,-2.8 -5,-0.0 2,-0.4 -0.979 62.5-162.4-142.5 150.6 8.9 63.8 18.3 82 83 A V E -d 105 0A 27 -2,-0.3 24,-0.2 22,-0.2 13,-0.0 -0.999 29.0-111.6-136.6 134.1 12.4 62.7 17.7 83 84 A S > - 0 0 31 22,-2.9 4,-2.6 -2,-0.4 5,-0.2 -0.144 32.6-110.2 -58.4 158.5 14.3 59.9 19.6 84 85 A E H > S+ 0 0 132 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.926 117.2 48.2 -62.0 -41.6 17.2 61.0 21.7 85 86 A Q H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.925 113.6 45.5 -64.4 -46.0 19.8 59.4 19.4 86 87 A A H >>S+ 0 0 0 2,-0.2 4,-1.8 19,-0.2 5,-1.4 0.883 113.0 52.6 -66.1 -35.5 18.3 61.0 16.3 87 88 A T H <5S+ 0 0 53 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.950 112.3 43.4 -62.4 -49.1 18.0 64.3 18.0 88 89 A Q H <5S+ 0 0 64 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.875 117.0 45.5 -71.1 -35.3 21.6 64.3 19.2 89 90 A L H <5S- 0 0 12 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.805 102.5-135.1 -69.9 -29.0 22.9 63.1 15.8 90 91 A G T <5S+ 0 0 26 -4,-1.8 2,-0.3 -5,-0.2 -3,-0.2 0.778 70.0 100.9 75.1 28.8 20.7 65.6 14.0 91 92 A A < - 0 0 13 -5,-1.4 2,-0.4 -6,-0.2 -18,-0.2 -0.986 48.1-170.2-151.0 132.9 19.6 63.0 11.5 92 93 A V + 0 0 0 -20,-2.4 15,-0.2 -2,-0.3 -17,-0.2 -0.985 14.4 168.1-121.7 133.6 16.5 60.9 11.1 93 94 A N + 0 0 5 13,-1.8 -26,-1.8 -2,-0.4 2,-0.4 0.395 69.8 51.9-117.0 -2.7 16.1 58.1 8.6 94 95 A T E -CE 66 106A 0 12,-1.7 12,-2.7 -28,-0.3 2,-0.5 -0.994 57.6-171.2-142.2 126.8 12.8 56.5 10.0 95 96 A V E -CE 65 105A 0 -30,-3.3 -30,-2.3 -2,-0.4 2,-0.5 -0.982 10.5-155.4-122.7 117.9 9.5 58.2 10.8 96 97 A V E -CE 64 104A 29 8,-2.8 8,-2.1 -2,-0.5 2,-0.6 -0.823 9.2-156.6 -90.2 127.4 6.8 56.2 12.6 97 98 A I E - E 0 103A 9 -34,-2.1 6,-0.2 -2,-0.5 5,-0.1 -0.943 13.1-137.5-110.4 118.7 3.4 57.6 11.9 98 99 A D > - 0 0 95 4,-2.8 3,-2.1 -2,-0.6 167,-0.0 -0.164 32.0 -96.0 -68.6 164.5 0.8 56.8 14.6 99 100 A A T 3 S+ 0 0 95 1,-0.3 -1,-0.1 2,-0.1 -38,-0.0 0.872 127.6 43.6 -48.3 -41.8 -2.8 55.7 13.7 100 101 A T T 3 S- 0 0 136 2,-0.0 -1,-0.3 -39,-0.0 -2,-0.0 0.331 127.8 -92.2 -95.7 6.9 -3.9 59.2 14.2 101 102 A G S < S+ 0 0 21 -3,-2.1 2,-0.1 1,-0.3 -2,-0.1 0.366 71.8 143.6 110.7 -4.4 -1.0 61.0 12.3 102 103 A H - 0 0 68 -5,-0.1 -4,-2.8 -23,-0.1 2,-0.4 -0.468 38.9-140.5 -69.3 142.1 1.6 61.8 15.0 103 104 A T E - E 0 97A 2 -6,-0.2 -22,-1.8 -2,-0.1 2,-0.4 -0.871 18.4-175.9-113.9 135.6 5.2 61.5 13.8 104 105 A T E -dE 81 96A 35 -8,-2.1 -8,-2.8 -2,-0.4 2,-0.3 -0.989 16.4-145.4-128.1 123.3 8.2 60.2 15.6 105 106 A G E +dE 82 95A 0 -24,-2.8 -22,-2.9 -2,-0.4 2,-0.3 -0.665 22.2 170.0 -88.5 143.4 11.7 60.2 14.1 106 107 A H E - E 0 94A 43 -12,-2.7 -13,-1.8 -2,-0.3 -12,-1.7 -0.882 29.7-129.8-138.7 167.4 14.3 57.5 14.7 107 108 A N > + 0 0 8 -2,-0.3 4,-1.3 -15,-0.2 -15,-0.1 -0.874 26.6 167.2-128.3 101.2 17.7 56.7 13.3 108 109 A T H > S+ 0 0 2 -2,-0.5 4,-2.2 2,-0.2 152,-0.2 0.480 72.7 73.9 -91.5 -4.6 18.1 53.0 12.3 109 110 A D H > S+ 0 0 17 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.918 103.4 43.5 -62.5 -43.3 21.3 53.7 10.4 110 111 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.967 118.8 41.0 -65.0 -53.3 22.9 54.0 13.8 111 112 A S H X S+ 0 0 36 -4,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.889 115.5 52.7 -66.1 -36.0 21.1 51.0 15.3 112 113 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.897 109.4 46.5 -67.3 -43.6 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48.5-114.0 -72.6 144.4 41.5 40.1 8.8 246 247 A E - 0 0 131 -24,-0.5 -22,-2.1 -26,-0.2 2,-0.3 -0.537 40.8-158.9 -66.4 143.0 37.9 39.9 10.1 247 248 A T E -j 224 0B 19 -24,-0.2 2,-0.5 -2,-0.2 -22,-0.2 -0.959 20.7-153.4-133.7 149.2 35.7 42.1 7.9 248 249 A L E -j 225 0B 3 -24,-2.2 -22,-2.2 -2,-0.3 2,-0.1 -0.971 21.7-153.3-122.1 110.0 32.4 43.8 8.2 249 250 A D > - 0 0 23 -2,-0.5 3,-1.2 -24,-0.2 4,-0.5 -0.432 24.2-113.0 -86.1 161.7 30.6 44.2 4.8 250 251 A G T 3> S+ 0 0 4 -22,-1.1 4,-1.7 -18,-0.4 -21,-0.2 0.615 103.8 76.4 -73.1 -14.4 28.2 47.0 4.0 251 252 A T H 3> S+ 0 0 6 -23,-0.2 4,-2.4 1,-0.2 5,-0.3 0.798 85.0 65.6 -66.4 -26.5 25.2 44.7 3.7 252 253 A R H <> S+ 0 0 57 -3,-1.2 4,-2.8 1,-0.2 5,-0.2 0.961 106.9 39.1 -62.8 -49.2 24.9 44.3 7.4 253 254 A M H > S+ 0 0 17 -4,-0.5 4,-2.4 1,-0.2 5,-0.2 0.904 115.2 54.0 -62.3 -43.5 24.0 47.9 8.0 254 255 A A H X S+ 0 0 13 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.851 115.4 39.2 -63.6 -36.7 21.8 48.1 4.9 255 256 A I H >X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 3,-0.7 0.930 116.0 49.7 -75.8 -49.9 19.8 45.1 6.1 256 257 A H H 3X S+ 0 0 2 -4,-2.8 4,-2.7 -5,-0.3 5,-0.2 0.789 101.8 60.5 -67.6 -28.7 19.6 46.0 9.8 257 258 A Q H 3X S+ 0 0 20 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.3 0.891 111.6 43.0 -60.3 -36.4 18.5 49.5 9.2 258 259 A A H - 0 0 56 1,-0.2 4,-2.0 -2,-0.1 5,-0.2 -0.824 21.4-161.0 -89.5 110.3 12.8 37.8 10.6 272 273 A V H > S+ 0 0 41 -2,-0.8 4,-2.9 1,-0.2 5,-0.2 0.912 86.4 53.5 -61.8 -44.4 16.4 38.9 9.9 273 274 A S H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 109.0 49.4 -62.8 -37.4 17.2 35.9 7.7 274 275 A R H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 112.8 46.7 -65.2 -43.1 14.2 36.6 5.4 275 276 A M H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.904 111.9 51.3 -68.2 -39.3 15.1 40.3 5.1 276 277 A R H X S+ 0 0 51 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.918 109.4 50.6 -58.1 -46.0 18.7 39.4 4.4 277 278 A E H X S+ 0 0 134 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.913 109.4 50.4 -64.7 -38.0 17.7 37.0 1.7 278 279 A T H >X S+ 0 0 27 -4,-2.3 4,-0.5 1,-0.2 3,-0.5 0.964 111.0 49.6 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