==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-MAR-96 1MDL . COMPND 2 MOLECULE: MANDELATE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.G.CLIFTON,G.A.PETSKO . 357 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 10.4 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 26 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 0 1 0 3 0 1 0 0 3 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 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 0 PARALLEL BRIDGES PER LADDER . 3 1 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 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 3 A E 0 0 224 0, 0.0 2,-0.5 0, 0.0 39,-0.0 0.000 360.0 360.0 360.0 -69.0 41.1 30.4 -11.3 2 4 A V - 0 0 31 74,-0.1 74,-2.3 39,-0.0 2,-0.3 -0.895 360.0-172.3 -98.2 126.5 41.8 28.4 -8.0 3 5 A L B -A 75 0A 52 -2,-0.5 37,-2.7 72,-0.3 2,-0.5 -0.869 28.3-118.3-116.3 155.0 43.3 25.0 -8.8 4 6 A I E +B 39 0B 0 70,-2.8 69,-3.4 -2,-0.3 35,-0.3 -0.755 32.6 176.7 -86.5 132.3 44.1 22.0 -6.7 5 7 A T E - 0 0 66 33,-2.9 2,-0.3 -2,-0.5 34,-0.2 0.578 53.0 -5.6-119.9 -5.6 47.8 21.4 -7.0 6 8 A G E -B 38 0B 19 32,-1.1 32,-2.1 65,-0.1 2,-0.4 -0.949 45.1-144.6-179.0 162.5 48.6 18.5 -4.8 7 9 A L E -B 37 0B 23 -2,-0.3 2,-0.4 30,-0.2 30,-0.2 -0.966 15.7-176.9-138.8 116.5 47.5 15.9 -2.2 8 10 A R E -B 36 0B 125 28,-2.6 28,-2.4 -2,-0.4 2,-0.3 -0.966 6.0-169.8-119.5 142.0 49.6 14.7 0.6 9 11 A T E -B 35 0B 9 -2,-0.4 2,-0.4 26,-0.2 26,-0.2 -0.936 6.9-170.0-129.1 142.8 48.4 12.0 3.1 10 12 A R E -B 34 0B 28 24,-1.6 24,-2.7 -2,-0.3 2,-0.5 -0.994 14.0-145.3-133.7 126.0 49.9 10.7 6.3 11 13 A A E +B 33 0B 4 -2,-0.4 346,-2.6 346,-0.3 2,-0.3 -0.845 27.2 172.2 -93.2 123.9 48.7 7.6 8.2 12 14 A V E -BC 32 356B 0 20,-2.9 20,-2.3 -2,-0.5 2,-0.5 -0.899 32.6-143.6-127.2 165.7 48.8 7.8 12.0 13 15 A N E -B 31 0B 39 342,-1.7 -2,-0.0 -2,-0.3 20,-0.0 -0.881 32.3-164.4-124.7 97.2 47.7 5.8 15.0 14 16 A V E -B 30 0B 0 16,-2.4 16,-2.2 -2,-0.5 2,-0.1 -0.500 19.2-114.3 -93.2 148.8 46.7 8.2 17.7 15 17 A P E -B 29 0B 42 0, 0.0 2,-0.5 0, 0.0 307,-0.3 -0.433 28.6-132.5 -70.3 149.0 46.2 7.7 21.3 16 18 A L E - 0 0 26 12,-2.4 303,-0.1 1,-0.1 304,-0.0 -0.877 5.0-145.4-105.7 138.0 42.7 8.2 22.6 17 19 A A E S+ 0 0 87 -2,-0.5 -1,-0.1 301,-0.4 302,-0.1 0.882 101.2 38.3 -59.1 -39.5 42.0 10.3 25.7 18 20 A Y E S- 0 0 69 300,-0.2 -1,-0.3 -3,-0.1 0, 0.0 -0.869 90.5-139.4-118.1 93.2 39.2 7.8 26.5 19 21 A P E - 0 0 50 0, 0.0 2,-0.7 0, 0.0 9,-0.2 -0.256 23.9-124.8 -47.5 136.5 40.2 4.3 25.7 20 22 A V E -B 27 0B 30 7,-2.3 7,-2.2 9,-0.1 2,-0.2 -0.847 19.2-148.4 -98.4 120.4 37.2 2.7 24.1 21 23 A H E +B 26 0B 51 -2,-0.7 119,-1.6 5,-0.2 2,-0.3 -0.484 22.9 172.6 -81.2 145.0 36.1 -0.5 25.8 22 24 A T - 0 0 38 3,-0.6 117,-0.0 -2,-0.2 142,-0.0 -0.852 49.5 -95.5-143.0 175.9 34.5 -3.1 23.6 23 25 A A S S+ 0 0 97 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.904 126.0 44.5 -61.7 -41.6 33.3 -6.7 23.9 24 26 A V S S- 0 0 147 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.924 125.9 -73.2 -60.9 -61.6 36.7 -7.9 22.5 25 27 A G - 0 0 32 -5,-0.1 -3,-0.6 2,-0.0 2,-0.4 -0.968 61.2 -46.0 179.0-168.0 39.0 -5.6 24.6 26 28 A T E -B 21 0B 85 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.646 39.8-160.7 -86.0 133.0 40.2 -2.1 25.1 27 29 A V E +B 20 0B 60 -7,-2.2 -7,-2.3 -2,-0.4 3,-0.0 -0.965 12.2 176.0-112.5 118.3 41.3 0.1 22.1 28 30 A G E + 0 0 34 -2,-0.5 -12,-2.4 -9,-0.2 2,-0.3 0.313 59.9 56.0-102.9 6.4 43.6 3.0 23.1 29 31 A T E -B 15 0B 62 -14,-0.3 -9,-0.1 -9,-0.1 290,-0.0 -0.990 63.3-144.1-139.3 158.0 44.4 4.3 19.6 30 32 A A E -B 14 0B 2 -16,-2.2 -16,-2.4 -2,-0.3 2,-0.7 -0.950 17.8-134.9-118.3 132.7 42.6 5.5 16.4 31 33 A P E +B 13 0B 5 0, 0.0 20,-2.8 0, 0.0 21,-0.4 -0.808 37.2 173.0 -87.1 106.0 43.8 4.8 12.9 32 34 A L E -BD 12 50B 0 -20,-2.3 -20,-2.9 -2,-0.7 2,-0.5 -0.873 31.4-149.3-118.4 154.0 43.6 8.1 11.0 33 35 A V E -BD 11 49B 0 16,-2.2 16,-2.5 -2,-0.3 2,-0.3 -0.986 19.7-154.5-113.9 122.6 44.6 9.4 7.6 34 36 A L E -BD 10 48B 0 -24,-2.7 -24,-1.6 -2,-0.5 2,-0.4 -0.761 11.9-156.2 -91.8 139.4 45.4 13.3 7.6 35 37 A I E -BD 9 47B 0 12,-3.5 12,-1.8 -2,-0.3 2,-0.5 -0.963 14.4-167.6-124.0 143.7 45.0 15.0 4.4 36 38 A D E -BD 8 46B 13 -28,-2.4 -28,-2.6 -2,-0.4 2,-0.7 -0.998 7.7-164.7-123.6 121.7 46.6 18.2 3.0 37 39 A L E -BD 7 45B 0 8,-2.8 8,-2.9 -2,-0.5 -30,-0.2 -0.920 11.1-155.4-109.9 109.1 45.0 19.6 -0.1 38 40 A A E -BD 6 44B 32 -32,-2.1 -33,-2.9 -2,-0.7 -32,-1.1 -0.582 10.3-164.6 -87.8 151.2 47.3 22.2 -1.8 39 41 A T E > -B 4 0B 9 4,-1.3 3,-1.7 -35,-0.3 -35,-0.2 -0.903 34.8-115.4-134.9 161.8 46.0 24.9 -4.0 40 42 A S T 3 S+ 0 0 61 -37,-2.7 -36,-0.1 -2,-0.3 -1,-0.1 0.613 109.4 68.9 -68.9 -12.9 47.2 27.4 -6.5 41 43 A A T 3 S- 0 0 51 -38,-0.4 -1,-0.3 2,-0.2 3,-0.1 0.376 115.2-107.5 -86.6 8.6 46.2 30.1 -4.2 42 44 A G S < S+ 0 0 72 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.627 84.1 114.3 83.5 1.1 48.8 29.4 -1.6 43 45 A V - 0 0 33 -4,-0.1 -4,-1.3 69,-0.0 2,-0.5 -0.861 53.6-147.4-110.4 154.5 46.3 27.9 0.9 44 46 A V E -D 38 0B 55 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.976 8.5-147.7-119.2 129.2 46.2 24.3 2.1 45 47 A G E -D 37 0B 0 -8,-2.9 -8,-2.8 -2,-0.5 2,-0.4 -0.624 17.5-157.6 -91.7 147.6 43.0 22.6 3.1 46 48 A H E +D 36 0B 29 -2,-0.3 2,-0.3 61,-0.2 -10,-0.2 -0.948 22.8 144.6-128.1 150.3 43.0 20.1 5.7 47 49 A S E -D 35 0B 4 -12,-1.8 -12,-3.5 -2,-0.4 2,-0.3 -0.956 26.4-139.6-159.7 174.6 40.9 17.1 6.8 48 50 A Y E -D 34 0B 5 -2,-0.3 2,-0.3 -14,-0.3 -14,-0.2 -0.984 5.4-146.8-138.5 158.5 41.2 13.7 8.3 49 51 A L E -D 33 0B 0 -16,-2.5 -16,-2.2 -2,-0.3 2,-0.5 -0.881 13.1-138.5-123.8 145.4 39.6 10.2 7.8 50 52 A F E -D 32 0B 29 -2,-0.3 -18,-0.2 -18,-0.2 3,-0.1 -0.947 9.5-165.0-103.7 131.4 38.9 7.6 10.5 51 53 A A - 0 0 4 -20,-2.8 2,-3.2 -2,-0.5 5,-0.2 0.509 17.8-146.7 -96.5 -3.6 39.7 4.0 9.4 52 54 A Y S S+ 0 0 83 -21,-0.4 -1,-0.1 3,-0.1 -20,-0.0 -0.300 77.9 36.1 71.2 -59.4 37.9 2.2 12.2 53 55 A T S > S- 0 0 63 -2,-3.2 3,-2.2 1,-0.1 4,-0.4 -0.972 76.8-128.2-132.0 144.7 40.4 -0.6 12.2 54 56 A P G >> S+ 0 0 85 0, 0.0 3,-1.0 0, 0.0 4,-0.7 0.762 105.2 75.3 -56.1 -20.2 44.2 -0.7 11.6 55 57 A V G 34 S+ 0 0 127 1,-0.3 4,-0.3 2,-0.1 -3,-0.1 0.804 102.4 35.8 -61.0 -34.3 43.4 -3.4 9.1 56 58 A A G <> S+ 0 0 19 -3,-2.2 4,-2.2 -5,-0.2 -1,-0.3 0.351 94.2 92.3 -98.3 -2.5 42.1 -0.8 6.6 57 59 A L H <> S+ 0 0 3 -3,-1.0 4,-2.5 -4,-0.4 5,-0.3 0.976 88.4 39.7 -66.2 -54.1 44.6 2.0 7.4 58 60 A K H X S+ 0 0 147 -4,-0.7 4,-2.5 1,-0.2 5,-0.3 0.931 115.7 53.1 -59.5 -41.6 47.3 1.5 4.9 59 61 A S H > S+ 0 0 63 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.956 108.2 51.3 -58.9 -42.6 44.8 0.5 2.2 60 62 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.978 111.8 46.2 -60.8 -51.4 42.9 3.8 2.7 61 63 A K H X S+ 0 0 58 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.869 111.1 51.5 -57.4 -42.3 46.0 5.9 2.5 62 64 A Q H X S+ 0 0 103 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.909 108.8 53.1 -60.3 -37.1 47.2 4.0 -0.6 63 65 A L H X S+ 0 0 41 -4,-2.4 4,-1.3 -5,-0.3 -2,-0.2 0.969 110.0 46.1 -63.7 -47.1 43.8 4.6 -2.2 64 66 A L H >X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 3,-0.9 0.938 112.1 51.4 -58.0 -50.8 43.9 8.3 -1.6 65 67 A D H 3< S+ 0 0 55 -4,-2.7 4,-0.4 1,-0.3 3,-0.3 0.873 110.4 50.1 -57.3 -38.5 47.6 8.5 -2.9 66 68 A D H 3< S+ 0 0 108 -4,-2.3 3,-0.4 -5,-0.2 -1,-0.3 0.770 109.1 50.9 -72.2 -22.4 46.5 6.7 -6.0 67 69 A M H XX S+ 0 0 5 -4,-1.3 3,-2.1 -3,-0.9 4,-1.1 0.641 84.3 89.3 -91.2 -9.6 43.5 9.1 -6.6 68 70 A A H 3X S+ 0 0 18 -4,-1.2 4,-2.0 -3,-0.3 3,-0.4 0.856 79.1 63.5 -51.6 -34.2 45.6 12.2 -6.3 69 71 A A H 34 S+ 0 0 88 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.811 98.8 54.4 -61.7 -30.5 46.3 12.1 -10.0 70 72 A M H <4 S+ 0 0 48 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.792 115.7 36.7 -78.4 -20.7 42.5 12.6 -10.8 71 73 A I H >< S+ 0 0 0 -4,-1.1 3,-1.9 -3,-0.4 -67,-0.3 0.736 85.1 106.9-103.9 -16.4 42.2 15.7 -8.8 72 74 A V T 3< S+ 0 0 50 -4,-2.0 -67,-0.2 1,-0.3 -65,-0.0 -0.366 91.0 16.6 -65.1 133.6 45.5 17.5 -9.3 73 75 A N T 3 S+ 0 0 107 -69,-3.4 -1,-0.3 1,-0.3 -68,-0.1 0.580 95.4 123.7 83.9 4.2 44.9 20.5 -11.7 74 76 A E S < S- 0 0 73 -3,-1.9 -70,-2.8 -70,-0.2 -1,-0.3 -0.693 72.8 -93.8 -90.8 156.5 41.1 20.5 -11.3 75 77 A P B -A 3 0A 71 0, 0.0 2,-2.0 0, 0.0 -72,-0.3 -0.364 37.8-106.3 -71.5 151.2 39.5 23.7 -10.1 76 78 A L S S+ 0 0 12 -74,-2.3 -74,-0.1 1,-0.1 -73,-0.1 -0.594 75.9 128.2 -78.2 79.5 38.9 24.0 -6.3 77 79 A A >> - 0 0 34 -2,-2.0 4,-2.9 1,-0.1 3,-0.5 -0.735 40.6-167.2-139.5 87.3 35.1 23.5 -6.6 78 80 A P H 3> S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.775 84.5 52.5 -47.2 -43.9 33.9 20.7 -4.3 79 81 A V H 3> S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.914 115.7 41.1 -64.7 -43.9 30.4 20.3 -5.8 80 82 A S H <> S+ 0 0 84 -3,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.888 113.5 53.1 -71.3 -36.7 31.8 19.8 -9.2 81 83 A L H X S+ 0 0 6 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.903 106.6 53.8 -59.3 -44.5 34.7 17.7 -8.0 82 84 A E H X S+ 0 0 26 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.936 106.5 52.1 -60.9 -38.5 32.2 15.3 -6.2 83 85 A A H X S+ 0 0 56 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.870 108.6 51.8 -67.4 -32.4 30.2 14.8 -9.4 84 86 A M H X S+ 0 0 35 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.841 110.3 46.2 -71.5 -36.1 33.3 13.9 -11.3 85 87 A L H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.886 107.6 56.7 -72.8 -41.7 34.4 11.3 -8.8 86 88 A A H < S+ 0 0 28 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.927 111.0 47.0 -58.8 -32.6 30.9 9.7 -8.6 87 89 A K H >< S+ 0 0 163 -4,-1.4 3,-1.5 -5,-0.3 4,-0.3 0.954 108.7 52.4 -77.3 -32.4 31.2 9.3 -12.3 88 90 A R H 3< S+ 0 0 134 -4,-1.9 3,-0.3 1,-0.3 4,-0.3 0.856 116.2 40.4 -69.1 -34.1 34.8 7.8 -12.3 89 91 A F T 3X S+ 0 0 27 -4,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.104 77.8 114.1 -96.2 16.8 33.8 5.2 -9.8 90 92 A C T <4 S+ 0 0 88 -3,-1.5 4,-0.2 2,-0.2 -1,-0.2 0.856 85.8 36.5 -62.8 -26.6 30.4 4.4 -11.1 91 93 A L T 4 S+ 0 0 162 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.867 115.7 51.1 -90.0 -38.7 31.6 0.7 -12.1 92 94 A A T 4 S- 0 0 79 -4,-0.3 -2,-0.2 1,-0.1 -1,-0.2 0.897 124.0 -91.7 -66.4 -38.7 33.8 0.1 -9.3 93 95 A G < - 0 0 27 -4,-2.0 2,-2.0 -7,-0.1 5,-0.2 0.388 23.3-137.4 128.0 95.4 31.2 1.0 -6.7 94 96 A Y S S+ 0 0 35 -4,-0.2 2,-0.2 -8,-0.1 -4,-0.1 -0.388 78.4 73.9 -80.2 74.8 31.1 4.5 -5.3 95 97 A T S >> S+ 0 0 61 -2,-2.0 4,-1.4 -6,-0.1 3,-0.7 -0.783 75.4 31.0-162.7-173.7 30.6 3.5 -1.7 96 98 A G H 3> S- 0 0 24 -2,-0.2 4,-2.0 1,-0.2 3,-0.4 -0.103 124.4 -6.7 51.0-144.3 32.7 2.0 1.1 97 99 A L H 3> S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.843 137.5 53.6 -47.7 -47.9 36.4 2.9 1.2 98 100 A I H <> S+ 0 0 33 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.895 109.6 46.9 -56.9 -44.3 36.2 4.7 -2.2 99 101 A R H X S+ 0 0 11 -4,-1.4 4,-1.6 -3,-0.4 -1,-0.2 0.894 112.2 51.1 -65.6 -39.7 33.3 6.9 -1.0 100 102 A M H X S+ 0 0 11 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.931 109.2 51.3 -61.1 -42.1 35.2 7.7 2.3 101 103 A A H >X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 3,-1.0 0.989 109.4 48.3 -61.5 -50.5 38.2 8.7 0.4 102 104 A A H 3X S+ 0 0 7 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.834 108.4 55.9 -57.9 -31.6 36.3 11.0 -1.8 103 105 A A H 3X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 -1,-0.3 0.836 102.2 57.6 -71.7 -29.4 34.7 12.5 1.3 104 106 A G H S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 -2,-0.2 0.927 112.8 50.4 -63.1 -36.6 36.9 28.9 3.5 115 117 A K H ><5S+ 0 0 48 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.898 104.0 56.0 -70.0 -36.7 40.5 29.9 3.6 116 118 A V H 3<5S+ 0 0 42 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.937 116.7 37.7 -59.8 -40.2 40.6 31.4 0.2 117 119 A H T 3<5S- 0 0 111 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.130 108.1-126.7 -94.2 13.3 37.7 33.7 1.3 118 120 A E T < 5 + 0 0 169 -3,-1.4 -3,-0.2 1,-0.1 -4,-0.1 0.822 68.6 122.2 41.1 46.8 39.1 34.1 4.8 119 121 A T < - 0 0 31 -5,-2.6 223,-2.3 -6,-0.2 -2,-0.2 -0.971 69.4-102.3-138.3 146.5 35.8 33.0 6.3 120 122 A P B > -e 342 0C 11 0, 0.0 4,-1.3 0, 0.0 3,-0.4 -0.299 38.1-116.9 -60.0 147.5 34.7 30.2 8.7 121 123 A L H >> S+ 0 0 0 221,-2.2 4,-1.8 1,-0.2 3,-0.7 0.927 113.0 60.4 -55.8 -45.9 33.0 27.4 6.9 122 124 A V H 34>S+ 0 0 0 220,-0.3 5,-2.0 1,-0.3 -1,-0.2 0.884 106.7 46.4 -50.5 -41.4 29.7 28.0 8.7 123 125 A K H >45S+ 0 0 101 -3,-0.4 3,-0.9 1,-0.2 -1,-0.3 0.777 106.6 56.6 -75.4 -28.7 29.6 31.5 7.2 124 126 A L H <<5S+ 0 0 56 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.829 102.3 56.6 -69.5 -27.5 30.5 30.4 3.7 125 127 A L T 3<5S- 0 0 44 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.468 124.8-106.4 -79.2 -9.1 27.5 28.0 3.8 126 128 A G T < 5S+ 0 0 71 -3,-0.9 2,-0.3 1,-0.3 -3,-0.2 0.616 82.3 107.1 98.9 14.7 25.3 31.1 4.6 127 129 A A < - 0 0 26 -5,-2.0 -1,-0.3 3,-0.0 2,-0.3 -0.814 65.9-111.1-121.1 169.8 24.6 30.6 8.3 128 130 A N - 0 0 134 -2,-0.3 2,-0.3 178,-0.2 -5,-0.0 -0.657 36.0-104.8 -91.1 153.5 25.7 32.2 11.6 129 131 A A + 0 0 48 -2,-0.3 174,-0.1 178,-0.0 -1,-0.1 -0.529 46.4 169.4 -72.4 139.0 27.8 30.5 14.1 130 132 A R - 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