==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-JAN-13 4IZG . COMPND 2 MOLECULE: MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME, N . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,S.R.WASSERMAN,L.L.MORISCO,S.SOJI . 740 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25266.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 509 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 42 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 4 0 0 2 0 3 3 4 0 2 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 6 1 4 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 2 6 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 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 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 71 0, 0.0 2,-0.3 0, 0.0 80,-0.2 0.000 360.0 360.0 360.0 151.5 39.1 24.8 16.6 2 2 A K - 0 0 103 77,-0.2 38,-1.9 78,-0.1 2,-0.4 -0.998 360.0-106.5-141.9 146.4 36.0 22.7 16.1 3 3 A I E +A 39 0A 2 75,-2.7 74,-2.1 -2,-0.3 36,-0.3 -0.560 35.4 174.6 -66.5 124.1 33.4 20.9 18.2 4 4 A A E + 0 0 21 34,-3.3 2,-0.3 -2,-0.4 35,-0.2 0.809 62.0 11.3 -97.8 -42.2 34.0 17.1 17.9 5 5 A E E -A 38 0A 73 33,-2.1 33,-2.7 2,-0.0 2,-0.4 -0.977 53.4-160.2-136.9 150.5 31.5 15.7 20.4 6 6 A I E -AB 37 368A 1 362,-2.3 362,-2.7 -2,-0.3 2,-0.4 -0.997 13.8-170.1-128.3 130.0 28.5 16.8 22.4 7 7 A H E -AB 36 367A 27 29,-2.7 29,-2.6 -2,-0.4 2,-0.4 -0.971 6.5-157.4-122.3 133.9 27.4 14.8 25.5 8 8 A V E -AB 35 366A 2 358,-3.2 357,-2.4 -2,-0.4 358,-1.5 -0.923 11.5-168.2-111.9 132.8 24.2 15.3 27.4 9 9 A Y E -A 34 0A 1 25,-3.2 25,-1.9 -2,-0.4 2,-0.4 -0.907 12.6-150.4-120.8 147.5 23.8 14.1 31.0 10 10 A A E +A 33 0A 29 351,-0.4 2,-0.3 -2,-0.3 23,-0.2 -0.966 23.6 170.5-115.6 136.2 20.8 13.7 33.3 11 11 A H E -A 32 0A 35 21,-2.1 21,-2.2 -2,-0.4 2,-0.3 -1.000 26.4-128.2-149.7 137.7 21.3 14.1 37.1 12 12 A D E -A 31 0A 106 -2,-0.3 19,-0.2 19,-0.2 -2,-0.0 -0.707 12.9-166.6 -94.4 141.8 19.0 14.4 40.1 13 13 A L E -A 30 0A 5 17,-2.9 17,-2.5 -2,-0.3 284,-0.1 -0.792 11.6-154.3-126.8 89.1 19.2 17.1 42.8 14 14 A P E -A 29 0A 88 0, 0.0 2,-0.6 0, 0.0 314,-0.5 -0.371 25.2-115.8 -59.8 135.3 17.2 16.3 45.9 15 15 A V > - 0 0 15 13,-2.4 3,-1.3 312,-0.1 312,-0.2 -0.656 28.9-123.1 -76.5 117.2 16.1 19.5 47.8 16 16 A K T 3 S- 0 0 94 310,-1.9 -1,-0.1 -2,-0.6 311,-0.0 -0.421 92.2 -5.5 -60.5 127.8 17.8 19.6 51.2 17 17 A D T 3 S- 0 0 160 -2,-0.2 -1,-0.3 1,-0.1 -2,-0.0 0.905 121.4-120.7 52.7 47.9 15.1 19.8 53.9 18 18 A G < + 0 0 42 -3,-1.3 10,-0.1 10,-0.2 2,-0.1 0.071 68.8 55.7 -70.2 177.7 12.5 20.2 51.2 19 19 A P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 9,-0.2 0.625 46.3-150.5 -93.4-175.8 10.4 21.3 49.6 20 20 A Y E -D 27 0B 9 7,-2.4 7,-2.3 -2,-0.1 2,-0.7 -0.959 18.2-150.4-111.0 124.1 11.0 24.8 48.1 21 21 A T E +D 26 0B 42 -2,-0.5 119,-1.6 5,-0.2 2,-0.3 -0.840 22.4 167.6-110.4 110.8 7.8 26.7 47.7 22 22 A I E > -D 25 0B 3 3,-2.6 3,-1.0 -2,-0.7 144,-0.1 -0.854 47.1-116.3-107.7 148.7 7.3 29.3 44.9 23 23 A A T 3 S+ 0 0 33 142,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.803 119.6 36.1 -54.7 -27.3 3.7 30.6 44.3 24 24 A S T 3 S+ 0 0 24 1,-0.3 2,-0.3 32,-0.0 -1,-0.3 0.485 128.0 25.4-104.5 -6.7 4.1 29.1 40.8 25 25 A S E < -D 22 0B 6 -3,-1.0 -3,-2.6 31,-0.1 2,-0.5 -0.859 51.9-165.8-163.7 122.2 6.1 26.0 41.6 26 26 A T E -D 21 0B 58 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.955 24.5-168.7-106.9 127.6 6.7 23.7 44.7 27 27 A V E +D 20 0B 8 -7,-2.3 -7,-2.4 -2,-0.5 3,-0.1 -0.955 30.0 171.0-128.4 136.7 9.7 21.4 44.3 28 28 A W S S+ 0 0 169 -2,-0.4 -13,-2.4 1,-0.4 2,-0.3 0.714 81.3 8.9-106.3 -33.8 11.0 18.4 46.1 29 29 A S E S-A 14 0A 57 -15,-0.3 -1,-0.4 -11,-0.0 2,-0.4 -0.967 70.6-141.4-152.6 133.9 13.8 17.2 43.8 30 30 A L E -A 13 0A 2 -17,-2.5 -17,-2.9 -2,-0.3 2,-0.8 -0.787 6.2-142.2-105.8 140.8 15.2 18.9 40.6 31 31 A Q E -A 12 0A 89 -2,-0.4 -19,-0.2 20,-0.3 2,-0.2 -0.830 24.4-167.0-100.3 101.1 16.2 17.2 37.4 32 32 A T E -A 11 0A 0 -21,-2.2 -21,-2.1 -2,-0.8 2,-0.5 -0.531 9.9-149.1 -89.2 154.5 19.4 19.0 36.0 33 33 A T E -AC 10 49A 0 16,-1.8 16,-2.2 -23,-0.2 2,-0.3 -0.990 12.1-164.8-123.9 121.0 20.8 18.5 32.5 34 34 A L E -AC 9 48A 0 -25,-1.9 -25,-3.2 -2,-0.5 2,-0.4 -0.818 1.5-159.9-105.4 148.4 24.5 18.8 32.0 35 35 A V E -AC 8 47A 0 12,-2.3 12,-2.5 -2,-0.3 2,-0.5 -0.996 2.7-165.6-128.2 131.4 26.3 19.3 28.6 36 36 A K E -AC 7 46A 42 -29,-2.6 -29,-2.7 -2,-0.4 2,-0.5 -0.976 5.9-162.3-115.5 124.3 29.9 18.5 27.8 37 37 A I E -AC 6 45A 0 8,-2.8 8,-2.3 -2,-0.5 2,-0.5 -0.927 6.3-161.9-104.7 129.3 31.4 19.9 24.6 38 38 A V E -AC 5 44A 15 -33,-2.7 -34,-3.3 -2,-0.5 -33,-2.1 -0.956 6.6-146.2-115.3 125.3 34.6 18.3 23.4 39 39 A A E > -A 3 0A 2 4,-3.0 3,-1.7 -2,-0.5 -36,-0.2 -0.329 34.0-100.6 -78.0 166.6 36.8 20.0 20.9 40 40 A D T 3 S+ 0 0 96 -38,-1.9 -37,-0.1 1,-0.3 -1,-0.1 0.822 125.2 56.9 -53.6 -32.7 38.9 18.1 18.2 41 41 A S T 3 S- 0 0 86 -39,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.658 119.8-110.2 -76.1 -16.8 41.9 18.6 20.5 42 42 A G S < S+ 0 0 48 -3,-1.7 2,-0.1 1,-0.4 -2,-0.1 0.240 73.2 138.1 102.7 -11.9 40.1 16.8 23.4 43 43 A L - 0 0 55 -5,-0.1 -4,-3.0 1,-0.0 -1,-0.4 -0.453 39.0-155.2 -64.6 137.8 39.7 20.0 25.5 44 44 A A E -C 38 0A 14 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.898 15.8-163.8-123.4 149.5 36.2 20.1 27.0 45 45 A G E -C 37 0A 0 -8,-2.3 -8,-2.8 -2,-0.3 2,-0.4 -0.954 14.8-140.3-125.9 151.5 33.8 22.7 28.3 46 46 A W E +C 36 0A 12 -2,-0.3 2,-0.3 60,-0.2 -10,-0.2 -0.900 18.0 175.4-117.7 141.5 30.7 22.2 30.6 47 47 A G E -C 35 0A 0 -12,-2.5 -12,-2.3 -2,-0.4 2,-0.3 -0.847 7.5-165.2-131.5 169.3 27.2 23.8 30.6 48 48 A E E -C 34 0A 0 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.988 10.4-175.6-156.8 142.6 24.1 23.2 32.7 49 49 A T E +C 33 0A 1 -16,-2.2 -16,-1.8 -2,-0.3 248,-0.1 -0.973 7.8 172.8-143.6 131.7 20.3 24.0 32.7 50 50 A C - 0 0 0 246,-0.4 246,-0.2 -2,-0.3 -18,-0.1 -0.741 19.2-150.7-144.6 88.6 17.9 23.1 35.5 51 51 A P - 0 0 10 0, 0.0 2,-1.7 0, 0.0 -20,-0.3 -0.283 25.9-121.2 -56.8 144.8 14.3 24.3 35.4 52 52 A V S S- 0 0 1 1,-0.2 3,-0.2 -22,-0.1 4,-0.2 -0.517 79.3 -43.2 -91.1 70.4 12.9 24.8 38.9 53 53 A G S > S- 0 0 10 -2,-1.7 3,-0.6 1,-0.1 4,-0.4 0.011 75.5 -84.6 81.1 162.7 10.0 22.4 38.3 54 54 A P T 3 S+ 0 0 87 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.480 120.0 53.6 -84.7 -2.6 7.9 22.2 35.1 55 55 A T T 3 S+ 0 0 88 -3,-0.2 -2,-0.1 1,-0.1 5,-0.1 0.437 86.4 77.4-110.9 -1.6 5.4 25.0 36.0 56 56 A Y S < S- 0 0 5 -3,-0.6 -1,-0.1 3,-0.2 -31,-0.1 0.907 111.3 -7.9 -72.7 -40.8 7.7 28.0 36.9 57 57 A A S S- 0 0 29 2,-0.4 2,-3.1 -4,-0.4 -1,-0.2 -0.911 89.6 -79.3-149.4 165.3 8.5 28.9 33.3 58 58 A P S S+ 0 0 118 0, 0.0 2,-0.3 0, 0.0 39,-0.1 -0.320 101.5 89.4 -73.2 67.0 7.9 27.4 29.8 59 59 A S + 0 0 18 -2,-3.1 -2,-0.4 -5,-0.2 2,-0.3 -0.983 47.3 171.7-160.3 146.2 10.8 25.0 30.3 60 60 A H > - 0 0 83 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.981 43.3-105.3-159.6 161.2 11.3 21.5 31.8 61 61 A A H > S+ 0 0 7 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.902 119.8 47.2 -60.7 -46.1 14.0 18.9 32.1 62 62 A L H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 113.6 51.8 -61.5 -34.7 12.6 16.5 29.4 63 63 A G H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.841 105.1 54.6 -69.5 -36.8 12.2 19.6 27.2 64 64 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.938 111.4 44.3 -60.6 -46.4 15.9 20.6 27.8 65 65 A R H X S+ 0 0 56 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.850 112.1 52.2 -70.9 -32.2 17.1 17.2 26.6 66 66 A A H X S+ 0 0 64 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.895 110.9 47.8 -68.8 -37.9 14.7 17.1 23.6 67 67 A A H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.904 112.6 48.3 -68.7 -42.2 16.0 20.6 22.5 68 68 A L H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.875 109.8 52.6 -64.5 -38.9 19.6 19.6 22.9 69 69 A A H < S+ 0 0 45 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.872 110.5 49.1 -64.0 -35.7 18.9 16.4 21.0 70 70 A E H < S+ 0 0 124 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.923 120.4 34.5 -68.4 -43.0 17.4 18.4 18.2 71 71 A M H >< S+ 0 0 1 -4,-2.2 3,-0.9 1,-0.1 4,-0.4 0.822 98.8 77.3 -82.9 -33.8 20.3 20.9 18.0 72 72 A A G >X S+ 0 0 2 -4,-2.8 3,-1.9 1,-0.3 4,-0.8 0.853 90.4 52.0 -55.2 -46.3 23.4 18.8 18.8 73 73 A P G >4 S+ 0 0 76 0, 0.0 3,-0.7 0, 0.0 -1,-0.3 0.874 109.3 53.3 -59.1 -32.5 23.9 17.0 15.4 74 74 A G G <4 S+ 0 0 25 -3,-0.9 -2,-0.2 -4,-0.4 -3,-0.1 0.472 105.1 55.5 -77.7 -3.7 23.8 20.4 13.7 75 75 A L G X4 S+ 0 0 0 -3,-1.9 3,-2.0 -4,-0.4 -72,-0.3 0.504 74.3 113.6-107.1 -9.9 26.5 21.8 16.0 76 76 A I T << S+ 0 0 39 -4,-0.8 -72,-0.2 -3,-0.7 3,-0.1 -0.491 84.5 22.6 -63.6 128.2 29.2 19.2 15.3 77 77 A G T 3 S+ 0 0 30 -74,-2.1 -1,-0.3 1,-0.3 -73,-0.1 0.242 92.7 134.0 97.6 -11.6 32.0 21.0 13.5 78 78 A A < - 0 0 2 -3,-2.0 -75,-2.7 -76,-0.1 -1,-0.3 -0.310 64.4-110.2 -70.1 154.6 31.1 24.5 14.7 79 79 A N > - 0 0 49 -77,-0.2 3,-1.1 1,-0.1 7,-0.2 -0.791 25.9-166.2 -86.4 110.9 33.8 26.8 16.1 80 80 A P T 3 S+ 0 0 0 0, 0.0 32,-0.3 0, 0.0 -1,-0.1 0.477 78.8 74.8 -80.0 -1.0 33.1 27.1 19.9 81 81 A L T 3 S+ 0 0 14 -80,-0.2 414,-0.2 1,-0.2 -79,-0.0 0.365 86.0 68.6 -89.7 4.5 35.4 30.2 20.2 82 82 A Q <> + 0 0 25 -3,-1.1 4,-3.0 1,-0.1 5,-0.2 -0.789 60.2 179.7-124.1 86.7 32.7 32.4 18.5 83 83 A P H > S+ 0 0 11 0, 0.0 4,-1.8 0, 0.0 413,-0.1 0.809 81.3 45.5 -62.2 -34.3 29.8 32.7 20.9 84 84 A L H > S+ 0 0 0 411,-1.7 4,-2.3 2,-0.2 5,-0.2 0.902 115.1 46.4 -76.2 -42.7 27.6 35.0 18.7 85 85 A V H > S+ 0 0 38 410,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.932 113.9 50.9 -59.1 -45.5 28.2 33.0 15.5 86 86 A L H X S+ 0 0 4 -4,-3.0 4,-2.2 409,-0.3 -2,-0.2 0.888 108.0 52.0 -60.5 -41.0 27.5 29.9 17.6 87 87 A R H X S+ 0 0 29 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.932 109.5 48.6 -64.6 -44.4 24.2 31.4 18.9 88 88 A R H X S+ 0 0 40 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.859 108.3 55.8 -61.4 -35.8 23.0 32.2 15.4 89 89 A R H < S+ 0 0 105 -4,-2.1 4,-0.2 2,-0.2 3,-0.2 0.929 108.3 47.4 -62.9 -42.8 23.9 28.7 14.4 90 90 A M H >X S+ 0 0 1 -4,-2.2 3,-1.7 1,-0.2 4,-1.7 0.896 108.4 54.8 -63.5 -39.7 21.7 27.3 17.2 91 91 A D H 3< S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.801 102.9 58.0 -62.9 -29.1 18.9 29.7 16.1 92 92 A G T 3< S+ 0 0 70 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.531 112.3 40.5 -76.6 -6.3 19.2 28.2 12.6 93 93 A L T <4 S+ 0 0 62 -3,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.621 127.7 11.5-112.8 -25.4 18.4 24.8 14.1 94 94 A L < - 0 0 34 -4,-1.7 -1,-0.3 2,-0.1 2,-0.3 -0.924 67.8-129.9-161.5 128.8 15.7 25.5 16.7 95 95 A C S S- 0 0 110 -2,-0.3 -4,-0.1 -3,-0.1 2,-0.0 -0.630 74.7 -21.5 -81.1 136.5 13.5 28.6 17.4 96 96 A G S S+ 0 0 35 -2,-0.3 5,-0.2 1,-0.1 -2,-0.1 -0.330 72.7 127.6 70.5-144.0 13.3 29.7 21.0 97 97 A H >> + 0 0 87 -39,-0.1 4,-2.1 1,-0.1 3,-1.4 0.879 28.4 168.4 56.5 42.7 14.2 27.3 23.8 98 98 A N H 3> + 0 0 44 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.848 68.6 64.0 -52.0 -38.5 16.7 29.7 25.3 99 99 A Y H 34 S+ 0 0 22 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.786 109.2 39.5 -64.1 -25.3 17.0 27.6 28.4 100 100 A A H X> S+ 0 0 0 -3,-1.4 3,-1.0 2,-0.2 4,-1.0 0.874 112.8 53.4 -87.2 -45.9 18.5 24.7 26.3 101 101 A K H >X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.2 3,-0.6 0.874 100.5 65.3 -52.1 -37.7 20.7 27.0 24.1 102 102 A A H 3X S+ 0 0 0 -4,-2.8 4,-2.5 166,-0.3 171,-0.3 0.820 94.2 57.5 -58.7 -35.2 22.1 28.5 27.3 103 103 A A H <> S+ 0 0 0 -3,-1.0 4,-1.8 -4,-0.4 -1,-0.2 0.871 110.5 43.4 -63.6 -37.3 23.7 25.1 28.2 104 104 A I H S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 4,-1.7 0.903 111.8 47.9 -65.6 -41.7 38.4 30.3 28.6 114 114 A K H <5S+ 0 0 62 -4,-2.3 -2,-0.2 236,-0.2 -1,-0.2 0.895 111.9 50.6 -63.6 -39.8 40.3 27.1 29.0 115 115 A H H <5S+ 0 0 89 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.901 119.4 34.6 -66.0 -42.2 41.8 27.5 25.5 116 116 A Y H <5S- 0 0 42 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.635 108.3-119.5 -88.8 -14.8 43.0 31.1 26.0 117 117 A G T <5S+ 0 0 58 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.841 71.4 125.3 79.5 36.5 43.9 30.7 29.7 118 118 A V < - 0 0 7 -5,-2.2 233,-2.9 -6,-0.2 -1,-0.3 -0.925 64.4-109.6-131.1 146.8 41.4 33.3 30.8 119 119 A R B >> -e 351 0C 36 -2,-0.3 3,-1.0 231,-0.3 4,-0.6 -0.509 31.8-119.1 -71.4 145.7 38.5 33.4 33.3 120 120 A V H >> S+ 0 0 0 231,-2.2 3,-1.9 1,-0.3 4,-0.7 0.892 114.3 58.7 -54.9 -40.6 35.0 33.6 31.8 121 121 A A H >4>S+ 0 0 0 230,-0.3 5,-2.3 1,-0.3 3,-0.8 0.851 103.1 54.2 -58.6 -32.0 34.4 37.0 33.5 122 122 A D H <45S+ 0 0 25 -3,-1.0 -1,-0.3 1,-0.2 3,-0.3 0.544 103.7 54.9 -81.1 -7.8 37.4 38.3 31.7 123 123 A L H <<5S+ 0 0 33 -3,-1.9 -1,-0.2 -4,-0.6 -2,-0.2 0.511 106.2 54.8 -90.3 -8.8 35.9 37.2 28.4 124 124 A L T <<5S- 0 0 9 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.1 0.064 139.4 -66.8-113.9 22.6 32.8 39.3 29.3 125 125 A G T 5S- 0 0 8 -3,-0.3 330,-1.5 326,-0.2 329,-1.4 0.105 89.8 -71.7 117.5 -22.8 34.5 42.6 29.9 126 126 A G < - 0 0 0 -5,-2.3 2,-0.5 328,-0.2 -4,-0.2 -0.143 56.0 -62.4 118.7 153.6 36.5 41.9 33.0 127 127 A V + 0 0 15 1,-0.2 184,-0.2 -2,-0.1 3,-0.2 -0.534 39.7 172.8 -71.5 116.0 36.3 41.2 36.7 128 128 A A S S+ 0 0 35 182,-3.1 2,-0.3 -2,-0.5 183,-0.2 0.661 75.3 15.9 -93.6 -20.8 34.9 44.2 38.6 129 129 A A - 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