==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 13-MAR-12 4E4U . COMPND 2 MOLECULE: MANDALATE RACEMASE/MUCONATE LACTONIZING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: UNIDENTIFIED; . AUTHOR P.R.KUMAR,J.BONANNO,S.CHOWDHURY,R.FOTI,A.GIZZI,J.HAMMONDS, . 403 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 7.2 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 0.5 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 . 18 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 1 1 0 0 1 2 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 5 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 PARALLEL BRIDGES PER LADDER . 2 1 1 0 0 1 0 0 1 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 2 0 0 0 0 0 1 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 68 0, 0.0 2,-0.3 0, 0.0 67,-0.2 0.000 360.0 360.0 360.0 130.3 42.8 28.0 -68.1 2 2 A K - 0 0 81 64,-0.2 29,-1.9 65,-0.1 2,-0.4 -0.994 360.0-108.0-148.1 154.2 43.6 24.3 -68.0 3 3 A I E +A 30 0A 0 62,-2.8 61,-3.0 59,-0.3 62,-0.3 -0.671 36.5 168.8 -79.0 126.6 44.6 21.5 -65.6 4 4 A V E + 0 0 56 25,-2.8 2,-0.3 -2,-0.4 26,-0.2 0.580 54.5 24.4-116.6 -13.6 48.2 20.5 -66.3 5 5 A S E -A 29 0A 49 24,-1.3 24,-1.8 2,-0.0 2,-0.3 -0.999 50.8-158.7-156.2 157.2 49.2 18.3 -63.4 6 6 A L E -A 28 0A 29 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.987 1.8-170.1-134.3 140.1 48.0 15.9 -60.7 7 7 A E E -A 27 0A 99 20,-2.0 20,-2.8 -2,-0.3 2,-0.5 -0.999 12.0-154.2-124.6 137.1 49.5 14.7 -57.4 8 8 A T E -A 26 0A 38 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.928 9.8-174.7-109.7 132.0 48.0 11.9 -55.4 9 9 A H E -A 25 0A 33 16,-2.7 16,-2.8 -2,-0.5 2,-0.8 -0.952 6.3-170.2-129.0 110.1 48.5 11.6 -51.7 10 10 A I E -A 24 0A 21 -2,-0.5 371,-0.5 14,-0.2 2,-0.4 -0.877 18.7-158.1-102.9 103.3 47.2 8.6 -49.8 11 11 A V E -A 23 0A 0 12,-2.4 12,-2.0 -2,-0.8 2,-0.5 -0.671 13.0-130.9 -92.1 131.6 47.6 9.4 -46.1 12 12 A A E -A 22 0A 23 366,-3.3 10,-0.2 -2,-0.4 9,-0.1 -0.692 21.7-136.3 -78.1 122.6 47.7 6.8 -43.4 13 13 A V - 0 0 6 8,-2.1 6,-0.0 -2,-0.5 -1,-0.0 -0.677 26.0-118.4 -79.7 125.9 45.3 7.8 -40.6 14 14 A P > - 0 0 41 0, 0.0 3,-2.4 0, 0.0 4,-0.4 -0.257 51.3 -53.6 -63.5 152.9 47.0 7.2 -37.2 15 15 A P T 3 S+ 0 0 105 0, 0.0 6,-0.0 0, 0.0 0, 0.0 -0.340 125.4 41.3 -55.6 145.9 45.6 4.7 -34.7 16 16 A P T 3 S- 0 0 81 0, 0.0 4,-0.1 0, 0.0 124,-0.1 -0.883 96.5-138.8 -86.6 26.4 42.9 4.4 -33.6 17 17 A H X - 0 0 59 -3,-2.4 3,-2.1 1,-0.2 2,-0.5 0.877 22.7-172.4 63.9 46.0 41.9 5.2 -37.2 18 18 A V T 3 S+ 0 0 23 -4,-0.4 -1,-0.2 1,-0.3 324,-0.1 -0.596 79.2 22.0 -72.3 119.4 39.0 7.6 -36.6 19 19 A G T 3 S- 0 0 0 -2,-0.5 -1,-0.3 292,-0.1 3,-0.2 0.534 131.2 -72.7 94.3 8.9 37.6 8.2 -40.1 20 20 A G < - 0 0 2 -3,-2.1 368,-0.1 1,-0.2 367,-0.1 -0.404 61.4 -58.6 105.3-175.4 39.1 5.0 -41.5 21 21 A M S S- 0 0 26 366,-0.9 -8,-2.1 1,-0.2 2,-0.3 0.821 107.8 -2.3 -80.3 -34.4 42.5 3.5 -42.4 22 22 A Y E -A 12 0A 5 -10,-0.2 2,-0.4 -3,-0.2 -1,-0.2 -0.992 57.2-137.0-156.4 154.4 43.6 6.0 -45.1 23 23 A W E -A 11 0A 2 -12,-2.0 -12,-2.4 -2,-0.3 2,-0.7 -0.964 16.4-142.8-118.6 136.4 42.4 9.1 -47.0 24 24 A I E -AB 10 40A 3 16,-0.7 16,-2.4 -2,-0.4 2,-0.3 -0.864 24.2-179.5-103.5 108.8 42.9 9.6 -50.7 25 25 A F E -AB 9 39A 0 -16,-2.8 -16,-2.7 -2,-0.7 2,-0.4 -0.821 11.6-163.0-108.3 146.8 43.7 13.2 -51.7 26 26 A V E -AB 8 38A 0 12,-2.3 12,-2.4 -2,-0.3 2,-0.5 -0.983 2.6-160.7-124.4 140.3 44.3 14.6 -55.1 27 27 A K E -AB 7 37A 30 -20,-2.8 -20,-2.0 -2,-0.4 2,-0.4 -0.986 8.8-167.2-120.1 124.6 46.0 18.0 -55.9 28 28 A L E -AB 6 36A 2 8,-2.9 8,-2.5 -2,-0.5 2,-0.4 -0.855 1.9-163.1-108.2 145.5 45.5 19.6 -59.3 29 29 A K E -AB 5 35A 86 -24,-1.8 -25,-2.8 -2,-0.4 -24,-1.3 -0.982 9.7-142.2-126.8 143.0 47.4 22.6 -60.7 30 30 A T E > -A 3 0A 4 4,-1.9 3,-1.6 -2,-0.4 -27,-0.2 -0.504 31.2-104.2 -93.5 169.1 46.5 24.8 -63.6 31 31 A D T 3 S+ 0 0 87 -29,-1.9 -28,-0.1 1,-0.3 -1,-0.1 0.732 122.7 48.3 -64.8 -23.6 48.7 26.3 -66.3 32 32 A D T 3 S- 0 0 102 -30,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.143 125.6 -97.7-107.1 19.4 48.5 29.7 -64.5 33 33 A G S < S+ 0 0 38 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.572 70.2 144.8 90.5 12.2 49.3 28.3 -61.1 34 34 A I - 0 0 34 2,-0.0 -4,-1.9 1,-0.0 2,-0.4 -0.706 34.9-150.4 -84.6 133.9 45.9 27.8 -59.3 35 35 A E E -B 29 0A 66 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.854 13.6-174.8-106.3 139.4 45.9 24.8 -57.0 36 36 A G E -B 28 0A 2 -8,-2.5 -8,-2.9 -2,-0.4 2,-0.3 -0.976 7.5-155.7-129.5 148.5 42.8 22.7 -56.2 37 37 A V E +B 27 0A 7 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.926 15.0 170.4-123.7 147.0 42.4 19.8 -53.7 38 38 A G E -B 26 0A 0 -12,-2.4 -12,-2.3 -2,-0.3 2,-0.4 -0.921 21.8-133.6-145.4 171.2 39.9 17.0 -53.6 39 39 A E E -B 25 0A 1 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.983 10.8-147.2-133.6 143.2 39.2 13.7 -51.9 40 40 A I E -B 24 0A 4 -16,-2.4 2,-0.7 -2,-0.4 -16,-0.7 -0.929 2.7-159.9-112.4 130.6 38.2 10.3 -53.3 41 41 A Y + 0 0 16 243,-2.5 2,-0.3 -2,-0.4 54,-0.1 -0.908 44.5 117.0-112.5 101.4 35.9 7.9 -51.4 42 42 A S + 0 0 6 -2,-0.7 345,-0.1 50,-0.1 -2,-0.1 -0.828 22.2 163.4-167.1 125.1 36.4 4.4 -52.8 43 43 A A + 0 0 20 -2,-0.3 345,-0.2 343,-0.1 -1,-0.1 0.116 45.1 111.6-137.2 21.4 37.7 1.2 -51.2 44 44 A T S S+ 0 0 73 1,-0.1 2,-0.3 342,-0.1 -1,-0.1 0.923 94.8 27.0 -53.6 -43.6 36.6 -1.6 -53.6 45 45 A F S S- 0 0 101 1,-0.1 -1,-0.1 2,-0.0 -3,-0.1 -0.880 97.8-103.3-119.6 152.5 40.3 -1.9 -54.3 46 46 A G >> - 0 0 23 -2,-0.3 4,-2.0 340,-0.1 3,-1.3 -0.104 38.3 -95.3 -72.6 168.9 43.3 -1.0 -52.0 47 47 A P H 3> S+ 0 0 24 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.738 120.0 64.1 -59.7 -26.7 45.5 2.1 -52.2 48 48 A K H 34 S+ 0 0 192 1,-0.2 -2,-0.0 2,-0.2 -3,-0.0 0.822 112.0 37.1 -66.1 -31.5 48.2 0.3 -54.3 49 49 A A H <> S+ 0 0 41 -3,-1.3 4,-1.8 2,-0.1 -1,-0.2 0.812 110.2 62.7 -84.3 -33.8 45.6 -0.1 -57.0 50 50 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.863 94.6 61.2 -63.3 -36.5 44.0 3.3 -56.5 51 51 A A H X S+ 0 0 38 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.959 109.9 38.1 -59.1 -52.5 47.2 5.2 -57.4 52 52 A P H > S+ 0 0 76 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.839 113.8 57.8 -69.9 -27.0 47.5 3.9 -61.0 53 53 A I H X S+ 0 0 46 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.949 107.4 47.3 -60.1 -47.5 43.7 4.1 -61.3 54 54 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.918 110.7 51.4 -63.2 -42.6 43.7 7.8 -60.5 55 55 A D H X S+ 0 0 74 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.914 110.6 50.4 -57.5 -43.1 46.6 8.4 -62.9 56 56 A D H X S+ 0 0 61 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.933 111.9 44.8 -64.0 -47.6 44.6 6.7 -65.7 57 57 A V H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.924 114.8 49.6 -63.4 -44.8 41.4 8.6 -65.2 58 58 A F H X>S+ 0 0 13 -4,-2.6 5,-2.9 -5,-0.2 4,-2.1 0.946 111.9 47.1 -59.7 -49.6 43.3 11.9 -64.9 59 59 A E H <5S+ 0 0 116 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.913 120.0 37.9 -60.7 -43.9 45.3 11.3 -68.1 60 60 A R H <5S+ 0 0 162 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.855 130.9 21.5 -76.2 -36.3 42.3 10.2 -70.2 61 61 A H H <5S+ 0 0 19 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.501 130.3 20.3-121.0 -6.9 39.6 12.5 -69.0 62 62 A L T ><5S+ 0 0 3 -4,-2.1 3,-2.4 -5,-0.3 -59,-0.3 0.628 78.1 113.1-135.8 -35.3 41.0 15.7 -67.3 63 63 A L T 3 - 0 0 46 -2,-0.2 3,-2.0 -64,-0.2 -64,-0.2 -0.582 25.0-139.7 -72.8 126.5 39.4 23.5 -68.5 67 67 A P T 3 S+ 0 0 1 0, 0.0 38,-0.2 0, 0.0 -1,-0.1 0.740 99.3 67.1 -60.8 -21.7 38.5 23.0 -64.8 68 68 A H T 3 S+ 0 0 87 -67,-0.2 2,-1.8 1,-0.2 3,-0.3 0.691 79.3 85.5 -67.7 -16.8 35.2 24.8 -65.4 69 69 A H <> + 0 0 95 -3,-2.0 4,-2.3 1,-0.2 -1,-0.2 -0.393 45.9 144.6 -90.8 64.8 34.0 22.0 -67.6 70 70 A V H > + 0 0 10 -2,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.782 69.0 55.1 -77.5 -30.3 32.6 19.7 -64.9 71 71 A E H > S+ 0 0 93 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.939 110.9 47.8 -60.6 -47.8 29.7 18.4 -66.9 72 72 A R H > S+ 0 0 50 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.938 111.4 50.0 -57.3 -50.7 32.2 17.3 -69.5 73 73 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.936 112.5 46.5 -55.5 -49.9 34.4 15.7 -66.9 74 74 A F H X S+ 0 0 8 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.946 113.7 48.0 -59.0 -49.4 31.6 13.8 -65.4 75 75 A R H X S+ 0 0 77 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.892 112.4 48.9 -62.1 -40.4 30.2 12.6 -68.7 76 76 A Q H X S+ 0 0 91 -4,-2.8 4,-0.8 -5,-0.2 -1,-0.2 0.932 116.1 42.4 -65.0 -45.0 33.7 11.5 -69.9 77 77 A A H >< S+ 0 0 1 -4,-2.4 3,-0.8 -5,-0.2 -2,-0.2 0.930 113.8 51.6 -65.7 -46.1 34.4 9.6 -66.7 78 78 A Y H 3< S+ 0 0 16 -4,-3.1 6,-1.7 -5,-0.2 7,-0.6 0.780 116.2 41.7 -59.0 -29.7 30.9 8.1 -66.6 79 79 A S H >X S+ 0 0 30 -4,-1.5 4,-1.6 -5,-0.2 3,-1.3 0.535 83.0 141.4 -96.6 -9.7 31.2 6.9 -70.2 80 80 A S T << S+ 0 0 29 -4,-0.8 4,-0.2 -3,-0.8 -3,-0.1 -0.009 74.4 2.3 -47.0 125.8 34.8 5.6 -70.0 81 81 A G T 34 S- 0 0 75 1,-0.2 -1,-0.2 2,-0.1 -4,-0.0 0.759 131.6 -59.4 72.7 26.3 35.5 2.4 -71.9 82 82 A F T <4 S+ 0 0 208 -3,-1.3 -2,-0.2 0, 0.0 -1,-0.2 0.982 108.5 118.4 61.2 59.5 32.0 2.1 -73.3 83 83 A T < + 0 0 58 -4,-1.6 -4,-0.2 4,-0.0 -3,-0.1 0.607 28.2 167.6-112.1 -82.9 30.3 2.0 -69.9 84 84 A Q + 0 0 109 -6,-1.7 -5,-0.2 1,-0.3 -6,-0.1 0.846 56.3 87.7 63.1 31.9 27.9 4.9 -69.3 85 85 A R S S- 0 0 149 -7,-0.6 -1,-0.3 180,-0.0 2,-0.1 -0.910 98.8 -66.2-141.8 164.1 26.4 3.3 -66.3 86 86 A P - 0 0 16 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.296 41.0-171.8 -63.0 126.3 27.8 3.8 -62.8 87 87 A D > - 0 0 78 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.981 18.8-148.2-107.5 112.9 31.3 2.3 -62.1 88 88 A L H > S+ 0 0 60 -2,-0.6 4,-1.9 1,-0.2 -1,-0.1 0.860 92.4 43.5 -57.2 -44.3 31.6 2.8 -58.4 89 89 A T H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.930 113.7 51.7 -68.5 -41.6 35.4 3.2 -58.2 90 90 A M H > S+ 0 0 23 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.902 108.2 52.4 -60.8 -40.4 35.4 5.5 -61.3 91 91 A M H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 196,-0.3 0.899 108.6 50.0 -65.4 -38.7 32.7 7.7 -59.6 92 92 A G H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.2 -51,-0.3 0.941 112.7 47.8 -59.8 -46.5 34.8 8.0 -56.5 93 93 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.3 0.946 112.4 46.7 -61.8 -49.0 37.8 9.0 -58.5 94 94 A V H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.841 105.7 61.7 -65.8 -28.7 35.9 11.6 -60.6 95 95 A S H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 194,-0.3 0.925 107.2 44.4 -59.3 -44.6 34.3 13.0 -57.4 96 96 A G H X S+ 0 0 0 -4,-1.6 4,-1.7 188,-0.3 -2,-0.2 0.919 115.8 46.1 -66.6 -45.2 37.8 13.9 -56.1 97 97 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.915 114.0 49.3 -63.5 -42.1 38.9 15.3 -59.4 98 98 A E H X S+ 0 0 3 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.900 109.5 49.2 -67.8 -41.6 35.7 17.3 -59.9 99 99 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.870 108.8 54.3 -70.0 -30.6 35.7 18.9 -56.4 100 100 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.882 106.6 52.8 -64.8 -37.5 39.3 19.9 -56.9 101 101 A C H X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.923 107.9 50.0 -61.3 -43.9 38.1 21.6 -60.1 102 102 A W H X S+ 0 0 26 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.881 105.4 56.8 -61.4 -38.7 35.5 23.4 -58.1 103 103 A D H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.937 111.7 43.4 -55.0 -47.3 38.2 24.5 -55.6 104 104 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.910 111.3 53.3 -64.3 -44.5 40.0 26.1 -58.6 105 105 A I H X S+ 0 0 12 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.934 112.1 45.9 -56.5 -47.4 36.8 27.6 -60.0 106 106 A G H X>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 4,-1.0 0.899 112.1 50.2 -64.6 -41.8 36.1 29.2 -56.7 107 107 A K H <5S+ 0 0 72 -4,-2.2 3,-0.4 -5,-0.3 -1,-0.2 0.917 110.7 49.8 -63.8 -40.5 39.6 30.5 -56.3 108 108 A A H <5S+ 0 0 54 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.886 117.2 40.7 -64.7 -37.7 39.6 32.0 -59.8 109 109 A A H <5S- 0 0 55 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.552 107.6-127.3 -83.8 -8.7 36.3 33.7 -59.0 110 110 A A T <5S+ 0 0 67 -4,-1.0 -3,-0.2 -3,-0.4 -4,-0.1 0.888 72.3 113.7 55.7 42.9 37.4 34.7 -55.5 111 111 A K S -c 365 0B 10 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.410 39.5-115.6 -58.7 148.4 33.4 30.1 -51.9 113 113 A V G >> S+ 0 0 0 252,-2.2 3,-2.3 1,-0.3 4,-1.4 0.872 114.9 65.1 -57.4 -36.1 32.0 27.3 -54.1 114 114 A Y G 34>S+ 0 0 2 251,-0.3 5,-2.3 1,-0.3 -1,-0.3 0.757 94.4 59.8 -61.9 -21.2 28.6 27.6 -52.2 115 115 A E G <45S+ 0 0 70 -3,-1.5 -1,-0.3 4,-0.2 -2,-0.2 0.565 110.3 42.0 -80.1 -7.4 28.3 31.1 -53.7 116 116 A L T <45S+ 0 0 74 -3,-2.3 -2,-0.2 -4,-0.3 -1,-0.2 0.582 109.1 56.5-109.1 -17.9 28.4 29.6 -57.2 117 117 A L T <5S- 0 0 19 -4,-1.4 -2,-0.1 205,-0.1 -3,-0.1 0.039 140.6 -49.8-105.9 24.8 26.2 26.5 -56.6 118 118 A G T 5S- 0 0 66 -3,-0.1 -3,-0.2 209,-0.1 -4,-0.1 0.172 87.2 -99.6 133.3 -18.4 23.1 28.4 -55.4 119 119 A G < - 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