==== 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 LYASE 27-JUL-05 2AHC . COMPND 2 MOLECULE: CHORISMATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.T.GALLAGHER,N.N.SMITH . 656 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28262.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 437 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 223 34.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 0.2 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 . 57 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 8.7 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+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 3 1 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 2 0 0 4 0 3 1 12 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 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 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 S 0 0 130 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -72.4 50.8 15.6 -6.7 2 2 A H > - 0 0 56 1,-0.1 4,-2.0 2,-0.0 3,-0.3 -0.804 360.0-143.8-160.6 124.4 53.9 13.8 -8.0 3 3 A P H > S+ 0 0 93 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.837 103.9 55.0 -52.8 -38.3 54.7 12.0 -11.3 4 4 A A H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.959 108.8 47.8 -61.5 -46.8 56.8 9.4 -9.5 5 5 A L H > S+ 0 0 4 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.836 108.8 55.0 -62.7 -31.8 54.0 8.5 -7.2 6 6 A T H X S+ 0 0 100 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.918 109.6 46.8 -65.9 -40.5 51.6 8.3 -10.2 7 7 A Q H >X S+ 0 0 70 -4,-2.1 3,-1.9 -5,-0.2 4,-0.6 0.975 108.1 57.1 -62.6 -52.6 54.0 5.8 -11.7 8 8 A L H >< S+ 0 0 5 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.845 104.9 49.8 -45.2 -47.0 54.2 3.8 -8.5 9 9 A R H 3< S+ 0 0 92 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.726 105.2 59.8 -70.2 -17.9 50.5 3.3 -8.3 10 10 A A H << S+ 0 0 37 -3,-1.9 -1,-0.3 -4,-0.8 -2,-0.2 0.626 76.6 127.3 -84.5 -9.3 50.7 2.0 -11.9 11 11 A L << - 0 0 11 -3,-1.3 2,-0.4 -4,-0.6 123,-0.2 -0.032 48.6-148.6 -43.9 144.7 53.1 -0.8 -11.0 12 12 A R E -A 133 0A 185 121,-1.4 121,-1.8 127,-0.0 2,-0.2 -0.970 8.0-143.1-126.9 142.1 51.8 -4.2 -12.1 13 13 A Y E +A 132 0A 48 -2,-0.4 119,-0.2 119,-0.2 340,-0.1 -0.627 45.9 138.6-108.5 160.3 52.4 -7.6 -10.5 14 14 A S - 0 0 56 117,-0.7 2,-0.3 -2,-0.2 339,-0.1 -0.024 55.7-136.9-179.4 26.9 53.0 -11.2 -11.4 15 15 A K + 0 0 67 116,-0.3 116,-0.1 337,-0.2 338,-0.1 -0.178 47.9 148.2 44.3 -98.0 55.6 -11.6 -8.6 16 16 A E - 0 0 135 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.877 56.5-118.0 30.8 89.9 58.3 -13.6 -10.4 17 17 A I - 0 0 43 1,-0.2 -1,-0.2 2,-0.1 8,-0.1 -0.313 43.0-100.9 -53.2 97.8 61.6 -12.6 -8.9 18 18 A P - 0 0 11 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 0.086 19.2-141.4 -30.7 99.5 63.4 -11.0 -11.9 19 19 A A + 0 0 101 -3,-0.1 -2,-0.1 3,-0.1 6,-0.1 0.674 64.7 128.9 -38.7 -20.6 66.0 -13.5 -13.3 20 20 A L S S- 0 0 96 1,-0.1 5,-0.3 2,-0.1 4,-0.2 -0.041 81.2 -58.5 -43.2 142.7 68.0 -10.3 -13.8 21 21 A D >> - 0 0 127 1,-0.2 3,-2.2 2,-0.1 2,-2.1 0.195 58.2-109.4 -24.2 131.5 71.5 -10.7 -12.3 22 22 A P T 34 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.043 110.9 72.2 -63.4 33.6 71.3 -11.5 -8.6 23 23 A Q T 34 S+ 0 0 106 -2,-2.1 -2,-0.1 2,-0.1 -3,-0.0 0.485 95.1 49.9-118.5 -13.7 72.6 -8.0 -7.6 24 24 A L T X> S+ 0 0 19 -3,-2.2 4,-1.9 -4,-0.2 3,-0.7 0.775 109.7 52.7 -89.5 -34.2 69.4 -6.3 -8.6 25 25 A L H 3X S+ 0 0 24 -4,-0.8 4,-3.6 -5,-0.3 5,-0.4 0.916 95.9 64.7 -67.5 -45.1 67.4 -8.8 -6.6 26 26 A D H 34 S+ 0 0 75 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.666 110.9 41.6 -55.1 -14.6 69.4 -8.3 -3.4 27 27 A W H X4 S+ 0 0 15 -3,-0.7 3,-0.7 2,-0.1 -1,-0.2 0.822 116.8 46.5 -92.7 -49.5 67.9 -4.7 -3.5 28 28 A L H 3< S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.710 122.8 34.2 -67.3 -26.6 64.4 -5.8 -4.6 29 29 A L T 3< S+ 0 0 58 -4,-3.6 -1,-0.2 -5,-0.1 -3,-0.2 0.225 86.1 142.6-113.3 9.3 64.2 -8.6 -1.9 30 30 A L < - 0 0 23 -3,-0.7 4,-0.1 -5,-0.4 -3,-0.1 -0.225 34.8-164.9 -50.1 136.1 66.2 -6.6 0.6 31 31 A E + 0 0 143 -5,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.637 69.6 70.2-101.9 -19.6 64.8 -7.2 4.1 32 32 A D S S- 0 0 46 1,-0.1 2,-0.2 2,-0.1 84,-0.0 -0.531 102.1 -86.0 -87.5 165.1 66.5 -4.4 6.0 33 33 A S > - 0 0 50 -2,-0.2 4,-1.4 1,-0.1 3,-0.4 -0.495 27.2-114.9 -89.0 154.4 65.1 -1.0 5.0 34 34 A M H > S+ 0 0 1 1,-0.2 4,-3.1 -2,-0.2 5,-0.3 0.798 101.3 64.8 -39.5 -57.6 66.1 1.3 2.1 35 35 A T H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.877 107.2 38.0 -40.9 -64.3 67.4 4.3 4.0 36 36 A K H > S+ 0 0 75 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.894 118.3 53.3 -58.0 -38.0 70.5 2.7 5.7 37 37 A R H X S+ 0 0 49 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.862 109.3 47.2 -64.4 -38.4 71.0 0.7 2.5 38 38 A F H < S+ 0 0 0 -4,-3.1 5,-0.4 1,-0.2 3,-0.3 0.879 111.2 53.0 -71.1 -36.5 70.9 3.8 0.5 39 39 A E H >X S+ 0 0 70 -4,-2.7 3,-2.4 -5,-0.3 4,-0.6 0.874 97.3 63.1 -65.7 -38.0 73.3 5.4 2.9 40 40 A Q H 3< S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.912 91.9 68.2 -53.2 -37.2 75.8 2.5 2.7 41 41 A Q T 3< S- 0 0 83 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.332 127.4-100.9 -63.7 9.2 76.1 3.7 -1.0 42 42 A G T <4 S+ 0 0 61 -3,-2.4 2,-0.3 1,-0.2 -2,-0.2 0.857 80.4 116.1 74.4 38.8 77.7 6.8 0.5 43 43 A K < - 0 0 56 -4,-0.6 -1,-0.2 -5,-0.4 -2,-0.1 -0.979 67.0-107.6-152.2 141.4 74.9 9.4 0.4 44 44 A T - 0 0 101 -2,-0.3 39,-2.2 38,-0.1 40,-0.4 -0.300 36.3-148.9 -54.4 123.5 72.7 11.6 2.6 45 45 A V E +B 82 0A 24 37,-0.2 2,-0.3 38,-0.1 37,-0.2 -0.797 21.4 174.5-100.1 142.4 69.2 10.3 2.6 46 46 A S E -B 81 0A 55 35,-1.1 35,-2.7 -2,-0.4 2,-0.4 -0.995 23.8-124.0-149.1 152.0 66.3 12.7 2.9 47 47 A V E -B 80 0A 18 -2,-0.3 2,-0.6 64,-0.3 33,-0.2 -0.819 9.6-163.2-107.0 134.3 62.5 12.7 2.8 48 48 A T E -B 79 0A 61 31,-2.2 31,-1.8 -2,-0.4 2,-0.5 -0.956 19.5-142.5-111.6 121.0 60.1 14.7 0.7 49 49 A M E +B 78 0A 48 -2,-0.6 29,-0.2 29,-0.2 3,-0.1 -0.759 28.3 166.0 -87.1 121.0 56.6 14.7 2.0 50 50 A I E - 0 0 42 27,-2.4 2,-0.3 -2,-0.5 28,-0.2 0.839 66.6 -21.0 -99.8 -47.9 53.9 14.5 -0.7 51 51 A R E -B 77 0A 88 26,-1.3 26,-2.6 2,-0.0 2,-0.3 -0.905 54.3-179.1-166.5 133.3 50.8 13.7 1.3 52 52 A E E +B 76 0A 45 -2,-0.3 2,-0.2 24,-0.2 24,-0.2 -0.998 33.7 87.2-135.1 137.0 49.9 12.2 4.7 53 53 A G E S-B 75 0A 14 22,-1.8 22,-2.8 -2,-0.3 2,-0.3 -0.883 70.3 -54.2 156.9 169.8 46.4 11.5 6.3 54 54 A F E +B 74 0A 8 540,-0.3 2,-0.3 -2,-0.2 542,-0.3 -0.564 51.1 179.8 -75.8 138.9 43.4 9.2 6.8 55 55 A V E -B 73 0A 9 18,-2.4 18,-2.4 -2,-0.3 2,-0.1 -0.938 23.5-115.2-138.8 157.9 41.7 8.0 3.6 56 56 A E > - 0 0 85 -2,-0.3 3,-2.0 16,-0.2 4,-0.4 -0.369 41.2 -91.3 -87.7 171.0 38.7 5.8 2.9 57 57 A Q G > S+ 0 0 75 14,-0.3 3,-1.6 1,-0.3 7,-0.2 0.832 121.1 61.6 -48.5 -41.9 38.7 2.5 1.1 58 58 A N G 3 S+ 0 0 122 1,-0.3 -1,-0.3 2,-0.1 0, 0.0 0.457 97.9 57.6 -73.0 3.7 38.2 4.0 -2.3 59 59 A E G < S+ 0 0 64 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.454 106.7 49.3-105.1 -7.9 41.5 5.9 -2.2 60 60 A I <> + 0 0 0 -3,-1.6 4,-2.4 -4,-0.4 3,-0.3 -0.406 62.8 145.0-126.3 58.0 43.5 2.7 -1.6 61 61 A P T 4 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.825 73.6 50.3 -65.7 -32.1 42.3 0.3 -4.4 62 62 A E T 4 S+ 0 0 57 -3,-0.1 4,-0.1 1,-0.1 -2,-0.1 0.753 119.4 35.9 -77.8 -23.6 45.7 -1.4 -5.0 63 63 A E T >4 S+ 0 0 1 -3,-0.3 3,-2.6 1,-0.1 4,-0.3 0.810 94.1 84.2 -97.4 -34.8 46.3 -2.1 -1.4 64 64 A L G >< S+ 0 0 17 -4,-2.4 3,-1.5 1,-0.3 -2,-0.1 0.753 84.6 57.6 -38.8 -46.1 42.8 -2.9 -0.1 65 65 A P G 3 S+ 0 0 13 0, 0.0 -1,-0.3 0, 0.0 285,-0.1 0.746 107.3 50.6 -63.6 -20.6 42.8 -6.6 -1.1 66 66 A L G < S+ 0 0 3 -3,-2.6 -2,-0.2 -4,-0.1 -3,-0.1 0.333 110.0 52.6 -97.8 5.0 45.9 -7.2 1.0 67 67 A L S < S- 0 0 10 -3,-1.5 2,-0.1 -4,-0.3 27,-0.0 -0.807 91.7 -90.2-131.7 172.3 44.6 -5.6 4.2 68 68 A P - 0 0 56 0, 0.0 2,-1.2 0, 0.0 -2,-0.1 -0.498 48.7 -96.9 -82.1 159.5 41.5 -6.0 6.4 69 69 A K + 0 0 113 -2,-0.1 2,-0.2 -4,-0.1 -5,-0.0 -0.601 57.4 160.2 -81.7 93.6 38.4 -3.9 5.8 70 70 A E - 0 0 15 -2,-1.2 -13,-0.2 1,-0.1 3,-0.1 -0.643 52.4-107.7-111.7 164.1 38.4 -0.8 8.1 71 71 A S S S- 0 0 33 -2,-0.2 -14,-0.3 1,-0.2 2,-0.3 0.811 97.2 -6.0 -58.0 -38.6 36.7 2.6 8.2 72 72 A R - 0 0 36 -16,-0.1 24,-1.5 -15,-0.1 2,-0.3 -0.990 60.4-148.7-156.4 162.8 39.9 4.4 7.2 73 73 A Y E -BC 55 95A 0 -18,-2.4 -18,-2.4 -2,-0.3 2,-0.7 -0.947 25.9-115.4-133.3 152.4 43.6 4.0 6.7 74 74 A W E -BC 54 94A 3 20,-2.9 20,-2.3 -2,-0.3 2,-0.4 -0.842 34.1-164.5 -93.2 117.9 46.6 6.2 7.2 75 75 A L E -BC 53 93A 4 -22,-2.8 -22,-1.8 -2,-0.7 2,-0.4 -0.872 8.7-178.5-103.1 131.5 48.2 6.9 3.8 76 76 A R E -BC 52 92A 8 16,-2.2 16,-2.7 -2,-0.4 2,-0.5 -0.970 4.8-173.6-136.6 120.2 51.7 8.3 3.5 77 77 A E E +BC 51 91A 4 -26,-2.6 -27,-2.4 -2,-0.4 -26,-1.3 -0.949 16.8 160.0-114.2 130.5 53.5 9.2 0.2 78 78 A I E -BC 49 90A 20 12,-2.4 12,-3.1 -2,-0.5 2,-0.4 -0.919 32.9-135.5-141.9 165.6 57.1 10.3 0.2 79 79 A L E -BC 48 89A 7 -31,-1.8 -31,-2.2 -2,-0.3 2,-0.5 -0.979 21.6-143.3-123.2 136.9 60.1 10.5 -2.1 80 80 A L E -BC 47 88A 8 8,-3.2 7,-3.0 -2,-0.4 8,-1.5 -0.913 17.7-158.1-109.5 123.4 63.5 9.3 -0.9 81 81 A S E -BC 46 86A 6 -35,-2.7 -35,-1.1 -2,-0.5 2,-0.6 -0.783 16.6-155.9-112.9 145.0 66.7 11.2 -1.9 82 82 A A E > S-BC 45 85A 3 3,-3.0 3,-2.1 -2,-0.3 -37,-0.2 -0.940 87.3 -25.4-110.9 114.3 70.4 10.5 -2.2 83 83 A D T 3 S- 0 0 104 -39,-2.2 -1,-0.2 -2,-0.6 -38,-0.1 0.912 131.9 -45.4 46.6 47.9 72.6 13.6 -2.0 84 84 A G T 3 S+ 0 0 63 -40,-0.4 -1,-0.3 1,-0.2 -39,-0.1 0.085 116.9 106.0 89.1 -23.1 69.6 15.6 -3.3 85 85 A E E < S-C 82 0A 121 -3,-2.1 -3,-3.0 75,-0.1 2,-0.3 -0.751 75.1-109.1 -98.7 137.9 68.4 13.3 -6.1 86 86 A P E +C 81 0A 51 0, 0.0 74,-0.4 0, 0.0 -5,-0.2 -0.471 39.6 165.9 -64.6 121.5 65.2 11.2 -6.0 87 87 A W E + 0 0 19 -7,-3.0 71,-2.3 -2,-0.3 2,-0.3 0.605 62.7 16.1-107.3 -22.1 66.1 7.5 -5.8 88 88 A L E -CD 80 157A 3 -8,-1.5 -8,-3.2 69,-0.2 2,-0.5 -0.999 53.7-140.7-159.4 152.0 62.7 6.2 -4.8 89 89 A A E -CD 79 156A 0 67,-1.8 67,-1.6 -2,-0.3 2,-0.4 -0.955 26.0-164.1-112.8 129.4 59.0 6.7 -4.4 90 90 A G E +CD 78 155A 8 -12,-3.1 -12,-2.4 -2,-0.5 2,-0.4 -0.948 13.5 179.8-121.3 135.8 57.2 5.4 -1.3 91 91 A R E -CD 77 154A 1 63,-2.2 63,-1.7 -2,-0.4 2,-0.4 -0.952 8.5-172.6-134.8 113.3 53.5 4.8 -0.5 92 92 A T E -CD 76 153A 11 -16,-2.7 -16,-2.2 -2,-0.4 2,-0.5 -0.899 6.9-167.2-110.3 132.7 52.3 3.3 2.9 93 93 A V E -CD 75 152A 0 59,-2.0 59,-2.5 -2,-0.4 -18,-0.2 -0.986 8.7-174.6-119.6 120.9 48.8 2.3 3.9 94 94 A V E -C 74 0A 2 -20,-2.3 -20,-2.9 -2,-0.5 57,-0.1 -0.934 22.7-132.2-123.2 109.4 48.1 1.6 7.6 95 95 A P E >> -C 73 0A 0 0, 0.0 3,-1.1 0, 0.0 4,-0.8 -0.231 26.0-120.6 -54.4 144.1 44.8 0.3 8.8 96 96 A V G >4 S+ 0 0 0 -24,-1.5 3,-0.8 1,-0.3 453,-0.1 0.839 112.3 66.4 -57.1 -35.5 43.5 2.4 11.8 97 97 A S G 34 S+ 0 0 27 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.813 95.4 54.8 -52.1 -39.9 43.6 -0.8 13.8 98 98 A T G <4 S+ 0 0 1 -3,-1.1 2,-1.2 1,-0.2 -1,-0.2 0.782 88.5 78.4 -69.3 -27.8 47.4 -1.0 13.5 99 99 A L S << S+ 0 0 0 -3,-0.8 450,-0.3 -4,-0.8 -1,-0.2 -0.103 70.1 122.9 -78.1 39.9 47.9 2.5 15.0 100 100 A S S > S- 0 0 40 -2,-1.2 3,-2.2 -3,-0.4 4,-0.2 -0.546 71.5 -17.4 -95.7 162.4 47.3 1.2 18.5 101 101 A G G > S- 0 0 56 1,-0.3 3,-1.7 448,-0.2 4,-0.1 0.021 136.2 -3.5 39.6-136.9 49.8 1.6 21.4 102 102 A P G > S+ 0 0 99 0, 0.0 3,-1.3 0, 0.0 -1,-0.3 0.615 120.1 81.0 -59.9 -9.8 53.4 2.5 20.3 103 103 A E G X + 0 0 2 -3,-2.2 3,-1.2 1,-0.3 4,-0.2 0.503 65.2 87.1 -76.7 -0.5 52.3 2.2 16.6 104 104 A L G X S+ 0 0 33 -3,-1.7 3,-1.1 1,-0.3 4,-0.5 0.588 72.4 77.9 -70.5 -9.3 50.9 5.7 16.8 105 105 A A G X S+ 0 0 39 -3,-1.3 3,-1.6 1,-0.2 4,-0.3 0.856 74.5 72.9 -66.6 -34.8 54.4 6.6 15.9 106 106 A L G < S+ 0 0 5 -3,-1.2 3,-0.4 1,-0.3 -1,-0.2 0.767 98.3 50.4 -51.6 -20.7 53.6 5.7 12.3 107 107 A Q G < S+ 0 0 5 -3,-1.1 3,-0.3 -4,-0.2 -1,-0.3 0.723 105.3 55.3 -88.8 -22.2 51.6 8.9 12.3 108 108 A K < + 0 0 129 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.145 68.1 113.8-102.5 24.0 54.3 11.2 13.6 109 109 A L + 0 0 11 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.843 39.9 170.8 -62.0 -39.2 57.1 10.5 11.1 110 110 A G S S- 0 0 18 -3,-0.3 2,-0.9 1,-0.2 -1,-0.2 -0.410 74.7 -19.4 61.0-136.0 57.2 14.0 9.6 111 111 A K S S+ 0 0 77 -2,-0.1 -64,-0.3 2,-0.1 -1,-0.2 -0.559 116.3 105.9-104.3 64.2 60.3 14.2 7.3 112 112 A T S S- 0 0 20 -2,-0.9 2,-0.1 -66,-0.1 -66,-0.1 -0.988 76.7-106.9-139.3 135.9 61.9 11.3 9.0 113 113 A P - 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