==== 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 RACEMASE 28-MAR-96 1DTN . 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) . 14049.0 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 . 31 8.7 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 . 29 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 33.1 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 3 2 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 0 219 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -56.5 41.2 30.4 -11.3 2 4 A V - 0 0 28 74,-0.1 74,-2.4 38,-0.1 2,-0.3 -0.912 360.0-170.7-100.2 122.1 41.9 28.5 -8.0 3 5 A L B -A 75 0A 58 -2,-0.6 37,-2.0 72,-0.3 2,-0.5 -0.756 28.7-116.0-111.1 158.6 43.4 25.1 -8.8 4 6 A I E +B 39 0B 0 70,-2.8 69,-4.0 67,-0.3 70,-0.3 -0.818 33.8 176.9 -88.1 126.5 44.2 22.0 -6.7 5 7 A T E - 0 0 66 33,-2.9 2,-0.3 -2,-0.5 34,-0.2 0.472 52.8 -11.4-112.3 -8.1 47.9 21.5 -6.9 6 8 A G E -B 38 0B 20 32,-0.9 32,-2.3 65,-0.1 2,-0.3 -0.934 45.3-140.8 177.5 161.6 48.7 18.5 -4.7 7 9 A L E -B 37 0B 24 -2,-0.3 2,-0.4 30,-0.2 30,-0.2 -0.994 16.8-178.5-139.0 124.7 47.6 15.9 -2.1 8 10 A R E -B 36 0B 137 28,-2.0 28,-2.2 -2,-0.3 2,-0.4 -0.993 6.1-171.1-126.0 136.5 49.7 14.6 0.8 9 11 A T E -B 35 0B 0 -2,-0.4 2,-0.4 26,-0.2 26,-0.2 -0.961 7.5-167.9-129.1 148.1 48.5 12.0 3.3 10 12 A R E -B 34 0B 27 24,-1.8 24,-3.1 -2,-0.4 2,-0.5 -0.997 13.3-145.2-138.5 127.2 49.9 10.7 6.5 11 13 A A E +B 33 0B 4 -2,-0.4 346,-2.9 346,-0.3 2,-0.3 -0.804 28.1 170.4 -93.8 128.8 48.7 7.6 8.3 12 14 A V E -BC 32 356B 0 20,-3.0 20,-2.8 -2,-0.5 2,-0.4 -0.903 33.0-145.7-135.0 162.1 48.9 7.7 12.1 13 15 A N E -B 31 0B 39 342,-1.4 -2,-0.0 -2,-0.3 20,-0.0 -0.924 32.4-167.9-127.9 97.5 47.7 5.8 15.2 14 16 A V E -B 30 0B 0 16,-1.9 16,-2.1 -2,-0.4 2,-0.1 -0.703 22.5-106.5-100.5 145.4 46.9 8.3 17.8 15 17 A P E -B 29 0B 44 0, 0.0 2,-0.5 0, 0.0 307,-0.3 -0.346 29.9-133.0 -64.3 141.2 46.3 7.8 21.5 16 18 A L E - 0 0 25 12,-3.0 303,-0.1 1,-0.1 304,-0.0 -0.856 2.6-149.9-102.8 129.3 42.7 8.2 22.7 17 19 A A E S+ 0 0 92 -2,-0.5 -1,-0.1 301,-0.4 302,-0.1 0.814 97.8 41.1 -61.1 -36.9 42.0 10.3 25.8 18 20 A Y E S- 0 0 71 300,-0.2 -1,-0.3 -3,-0.0 300,-0.0 -0.902 92.7-138.6-119.7 93.6 39.1 8.1 26.6 19 21 A P E - 0 0 52 0, 0.0 2,-0.6 0, 0.0 9,-0.2 -0.277 20.3-126.3 -52.3 126.1 40.1 4.4 26.0 20 22 A V E -B 27 0B 43 7,-2.1 7,-2.7 9,-0.1 2,-0.4 -0.737 19.2-151.9 -87.6 121.4 37.2 2.7 24.3 21 23 A H E +B 26 0B 51 -2,-0.6 119,-1.8 5,-0.2 2,-0.2 -0.764 20.9 173.6 -88.8 133.6 36.2 -0.4 26.1 22 24 A T - 0 0 52 3,-2.2 117,-0.0 -2,-0.4 142,-0.0 -0.744 49.3-102.9-130.4 179.0 34.6 -3.2 23.9 23 25 A A S S+ 0 0 99 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.847 124.3 51.1 -72.2 -27.5 33.4 -6.7 24.5 24 26 A V S S- 0 0 144 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.928 123.7 -76.2 -68.9 -56.2 36.6 -7.7 22.7 25 27 A G - 0 0 37 -5,-0.1 -3,-2.2 2,-0.0 2,-0.6 -0.949 59.2 -48.0 178.8-160.2 39.1 -5.6 24.7 26 28 A T E -B 21 0B 91 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.871 41.9-167.4-103.1 121.6 40.5 -2.1 25.4 27 29 A V E +B 20 0B 57 -7,-2.7 -7,-2.1 -2,-0.6 -2,-0.0 -0.932 12.6 173.5-112.7 119.3 41.5 0.1 22.5 28 30 A G E + 0 0 32 -2,-0.6 -12,-3.0 -9,-0.2 2,-0.3 0.221 58.9 60.5-103.6 9.1 43.5 3.2 23.2 29 31 A T E -B 15 0B 61 -14,-0.3 -9,-0.1 -9,-0.1 -16,-0.0 -0.964 61.9-144.3-138.3 161.1 44.4 4.4 19.7 30 32 A A E -B 14 0B 1 -16,-2.1 -16,-1.9 -2,-0.3 2,-0.8 -0.977 17.1-132.9-124.9 133.8 42.7 5.5 16.5 31 33 A P E +B 13 0B 5 0, 0.0 20,-2.8 0, 0.0 21,-0.4 -0.717 39.6 171.6 -87.3 111.9 43.8 4.8 13.0 32 34 A L E -BD 12 50B 0 -20,-2.8 -20,-3.0 -2,-0.8 2,-0.5 -0.952 31.7-148.9-125.4 151.8 43.6 8.0 11.1 33 35 A V E -BD 11 49B 0 16,-2.0 16,-2.5 -2,-0.4 2,-0.4 -0.969 19.0-152.0-111.7 117.3 44.6 9.4 7.7 34 36 A L E -BD 10 48B 0 -24,-3.1 -24,-1.8 -2,-0.5 2,-0.4 -0.793 13.0-156.2 -93.0 132.7 45.6 13.1 7.7 35 37 A I E -BD 9 47B 0 12,-3.1 12,-1.7 -2,-0.4 2,-0.4 -0.941 14.8-171.5-117.6 135.9 45.0 15.0 4.5 36 38 A D E -BD 8 46B 26 -28,-2.2 -28,-2.0 -2,-0.4 2,-0.6 -0.986 7.7-164.7-124.8 117.9 46.6 18.2 3.1 37 39 A L E -BD 7 45B 0 8,-3.2 8,-3.0 -2,-0.4 2,-0.2 -0.912 12.3-152.6-106.4 111.0 45.1 19.6 -0.1 38 40 A A E -BD 6 44B 30 -32,-2.3 -33,-2.9 -2,-0.6 -32,-0.9 -0.551 12.0-165.1 -86.1 148.3 47.4 22.2 -1.8 39 41 A T E > -B 4 0B 11 4,-1.2 3,-1.3 -35,-0.3 -35,-0.2 -0.863 35.4-117.0-132.4 165.1 46.1 25.0 -3.9 40 42 A S T 3 S+ 0 0 63 -37,-2.0 -36,-0.1 -2,-0.3 -1,-0.1 0.658 109.1 67.3 -67.9 -18.7 47.3 27.5 -6.4 41 43 A A T 3 S- 0 0 52 -38,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.309 115.1-108.2 -86.0 3.4 46.3 30.3 -4.0 42 44 A G S < S+ 0 0 69 -3,-1.3 2,-0.2 1,-0.3 -2,-0.1 0.227 83.0 119.7 90.9 -21.3 48.9 29.5 -1.4 43 45 A V - 0 0 33 69,-0.1 -4,-1.2 -5,-0.1 2,-0.5 -0.485 51.4-149.2 -82.1 150.3 46.3 28.0 1.0 44 46 A V E -D 38 0B 54 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.973 8.7-146.9-119.6 120.7 46.4 24.4 2.2 45 47 A G E -D 37 0B 0 -8,-3.0 -8,-3.2 -2,-0.5 2,-0.3 -0.644 15.9-157.9 -84.9 148.8 43.1 22.6 3.0 46 48 A H E +D 36 0B 30 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.971 22.1 145.8-128.9 143.1 43.1 20.0 5.9 47 49 A S E -D 35 0B 5 -12,-1.7 -12,-3.1 -2,-0.3 2,-0.3 -0.930 26.0-142.3-155.8 172.0 40.9 17.1 6.8 48 50 A Y E -D 34 0B 5 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.969 5.7-146.9-138.0 157.4 41.3 13.7 8.5 49 51 A L E -D 33 0B 0 -16,-2.5 -16,-2.0 -2,-0.3 2,-0.5 -0.905 12.0-137.7-120.7 147.5 39.7 10.3 7.9 50 52 A F E -D 32 0B 31 -2,-0.3 -18,-0.2 -18,-0.2 3,-0.1 -0.924 10.0-166.0-103.4 127.5 38.9 7.6 10.6 51 53 A A - 0 0 4 -20,-2.8 2,-2.7 -2,-0.5 5,-0.2 0.564 17.3-148.2 -94.6 -6.6 39.8 4.0 9.5 52 54 A Y S S+ 0 0 84 -21,-0.4 -1,-0.1 2,-0.1 -20,-0.0 -0.253 77.9 32.8 75.0 -55.4 37.9 2.2 12.2 53 55 A T S > S- 0 0 61 -2,-2.7 3,-1.7 -23,-0.1 4,-0.4 -0.975 77.7-127.0-132.7 147.8 40.4 -0.6 12.3 54 56 A P T 3> S+ 0 0 73 0, 0.0 4,-0.6 0, 0.0 3,-0.5 0.685 104.9 75.6 -66.4 -15.7 44.1 -0.7 11.6 55 57 A V T 34 S+ 0 0 124 1,-0.2 4,-0.3 2,-0.1 -3,-0.1 0.773 102.6 37.9 -63.4 -24.4 43.4 -3.5 9.1 56 58 A A T <> S+ 0 0 18 -3,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.505 92.9 91.7-105.3 -6.8 42.1 -0.8 6.7 57 59 A L H > S+ 0 0 1 -3,-0.5 4,-2.2 -4,-0.4 5,-0.3 0.956 89.4 38.5 -55.6 -61.6 44.6 2.0 7.5 58 60 A K H X S+ 0 0 111 -4,-0.6 4,-2.3 1,-0.2 5,-0.2 0.905 114.7 55.2 -64.5 -36.0 47.3 1.4 4.9 59 61 A S H > S+ 0 0 67 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.932 107.9 50.3 -61.3 -40.2 44.8 0.5 2.3 60 62 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.956 111.2 46.8 -59.8 -53.1 42.9 3.8 2.8 61 63 A K H X S+ 0 0 38 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.894 111.5 51.1 -54.6 -46.6 46.0 5.9 2.5 62 64 A Q H X S+ 0 0 106 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.843 106.1 55.8 -64.2 -30.3 47.2 4.1 -0.6 63 65 A L H X S+ 0 0 42 -4,-1.6 4,-1.0 -5,-0.2 -1,-0.2 0.899 109.2 46.4 -67.5 -40.9 43.9 4.6 -2.2 64 66 A L H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 3,-0.4 0.906 109.4 54.0 -62.9 -47.2 44.1 8.4 -1.6 65 67 A D H < S+ 0 0 47 -4,-2.4 4,-0.4 1,-0.3 -2,-0.2 0.874 110.4 48.3 -57.0 -38.4 47.7 8.5 -2.9 66 68 A D H < S+ 0 0 108 -4,-1.8 3,-0.3 1,-0.2 -1,-0.3 0.742 110.3 50.5 -76.3 -22.7 46.5 6.8 -6.1 67 69 A M H >X S+ 0 0 4 -4,-1.0 3,-2.1 -3,-0.4 4,-1.1 0.702 84.1 90.0 -88.0 -19.4 43.5 9.1 -6.5 68 70 A A H >X S+ 0 0 17 -4,-1.7 4,-2.2 1,-0.3 3,-0.6 0.856 80.6 61.3 -41.0 -41.0 45.7 12.2 -6.2 69 71 A A H 34 S+ 0 0 84 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.801 98.7 53.9 -58.9 -36.6 46.2 12.1 -10.0 70 72 A M H <4 S+ 0 0 28 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.784 115.3 38.7 -74.7 -22.9 42.6 12.6 -10.8 71 73 A I H X< S+ 0 0 0 -4,-1.1 3,-1.8 -3,-0.6 -67,-0.3 0.751 86.0 103.5 -97.9 -26.6 42.2 15.7 -8.8 72 74 A V T 3< S+ 0 0 47 -4,-2.2 -67,-0.2 1,-0.3 -65,-0.0 -0.340 90.3 18.8 -60.7 139.0 45.5 17.6 -9.3 73 75 A N T 3 S+ 0 0 113 -69,-4.0 -1,-0.3 1,-0.3 -68,-0.1 0.542 97.3 122.7 75.4 12.6 45.0 20.5 -11.7 74 76 A E S < S- 0 0 67 -3,-1.8 -70,-2.8 -70,-0.3 -1,-0.3 -0.773 71.5 -95.5-100.1 150.8 41.3 20.5 -11.2 75 77 A P B -A 3 0A 65 0, 0.0 2,-2.0 0, 0.0 -72,-0.3 -0.233 34.8-108.3 -63.4 150.7 39.5 23.6 -10.0 76 78 A L S S+ 0 0 14 -74,-2.4 -74,-0.1 1,-0.1 -73,-0.1 -0.577 74.1 129.5 -80.5 75.2 38.8 24.0 -6.3 77 79 A A > - 0 0 35 -2,-2.0 4,-2.9 1,-0.1 5,-0.2 -0.818 39.9-168.1-133.2 84.4 35.0 23.5 -6.8 78 80 A P H > S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.824 85.0 51.1 -47.3 -42.1 34.0 20.9 -4.3 79 81 A V H > S+ 0 0 74 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.963 114.8 42.5 -63.6 -48.3 30.5 20.3 -5.8 80 82 A S H > S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.874 112.6 55.5 -62.9 -38.6 31.9 19.8 -9.3 81 83 A L H X S+ 0 0 11 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.890 104.9 51.8 -60.5 -42.7 34.7 17.7 -7.9 82 84 A E H X S+ 0 0 28 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.869 108.1 51.2 -65.2 -38.2 32.3 15.3 -6.2 83 85 A A H X S+ 0 0 55 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.851 108.4 52.5 -67.4 -37.9 30.3 14.7 -9.3 84 86 A M H X S+ 0 0 41 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.933 111.6 45.3 -63.3 -47.3 33.5 13.9 -11.3 85 87 A L H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.923 108.1 57.5 -64.2 -38.5 34.6 11.4 -8.8 86 88 A A H < S+ 0 0 29 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.932 111.0 44.2 -59.8 -36.0 31.1 9.9 -8.6 87 89 A K H >< S+ 0 0 168 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 0.898 110.1 54.4 -75.8 -35.7 31.3 9.3 -12.4 88 90 A R H 3< S+ 0 0 150 -4,-2.5 3,-0.3 1,-0.2 4,-0.3 0.824 115.7 38.7 -66.7 -32.0 34.9 7.9 -12.2 89 91 A F T 3X S+ 0 0 29 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.187 79.8 111.6-104.7 18.2 34.0 5.3 -9.7 90 92 A C T <4 S+ 0 0 89 -3,-1.1 4,-0.2 1,-0.2 -1,-0.2 0.809 82.7 40.5 -66.0 -26.7 30.6 4.3 -11.0 91 93 A L T 4 S+ 0 0 172 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.888 116.6 48.2 -84.6 -42.6 31.7 0.7 -12.1 92 94 A A T 4 S- 0 0 79 -4,-0.3 -2,-0.2 1,-0.1 -1,-0.1 0.794 125.2 -95.4 -66.3 -30.2 33.9 -0.0 -9.2 93 95 A G < - 0 0 26 -4,-1.9 2,-2.0 -7,-0.1 5,-0.2 0.578 19.7-130.3 111.2 105.5 31.2 1.1 -6.7 94 96 A Y S S+ 0 0 33 -4,-0.2 2,-0.2 -8,-0.1 -1,-0.1 -0.513 79.7 77.2 -79.2 72.4 31.1 4.6 -5.2 95 97 A T S >> S+ 0 0 62 -2,-2.0 4,-1.1 -6,-0.1 3,-0.9 -0.886 73.5 27.7-160.7-178.3 30.7 3.4 -1.6 96 98 A G H 3> S- 0 0 24 -2,-0.2 4,-2.1 1,-0.2 3,-0.2 -0.210 124.5 -5.5 53.8-140.8 32.8 2.0 1.2 97 99 A L H 3> S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.840 136.0 53.9 -55.1 -44.2 36.5 3.0 1.2 98 100 A I H <> S+ 0 0 32 -3,-0.9 4,-2.6 -5,-0.2 -1,-0.2 0.928 111.3 45.9 -56.3 -43.5 36.3 4.8 -2.1 99 101 A R H X S+ 0 0 11 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.870 111.0 52.3 -69.7 -38.1 33.5 6.9 -0.9 100 102 A M H X S+ 0 0 10 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.915 109.7 50.4 -62.8 -39.7 35.3 7.6 2.4 101 103 A A H >X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.8 0.970 109.3 49.3 -63.6 -54.2 38.3 8.7 0.5 102 104 A A H 3X S+ 0 0 7 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.798 108.6 55.0 -53.4 -36.1 36.3 11.1 -1.7 103 105 A A H 3X S+ 0 0 1 -4,-1.7 4,-2.7 2,-0.2 -1,-0.3 0.854 103.2 55.2 -68.2 -35.1 34.7 12.5 1.4 104 106 A G H S+ 0 0 0 -4,-1.6 5,-2.6 2,-0.2 -1,-0.2 0.900 109.5 51.3 -72.6 -37.8 37.0 28.9 3.4 115 117 A K H ><5S+ 0 0 46 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.916 105.7 54.0 -63.6 -44.9 40.7 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 0.869 116.8 39.1 -56.8 -36.7 40.7 31.5 0.2 117 119 A H T 3<5S- 0 0 115 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.293 106.9-128.0 -97.1 5.7 37.8 33.6 1.3 118 120 A E T < 5 + 0 0 166 -3,-1.4 -3,-0.2 1,-0.2 -4,-0.1 0.833 67.6 121.3 49.8 42.4 39.1 34.2 4.7 119 121 A T < - 0 0 28 -5,-2.6 223,-2.5 -6,-0.1 -2,-0.2 -0.973 69.6-103.5-138.0 146.1 35.9 33.0 6.3 120 122 A P B > -e 342 0C 13 0, 0.0 4,-1.5 0, 0.0 3,-0.4 -0.255 39.0-116.8 -59.5 146.9 34.7 30.3 8.8 121 123 A L H > S+ 0 0 0 221,-2.3 4,-1.7 219,-0.3 3,-0.5 0.921 112.8 59.1 -56.8 -46.3 33.0 27.4 6.9 122 124 A V H 4>S+ 0 0 1 220,-0.3 5,-1.9 1,-0.3 4,-0.3 0.883 107.1 48.3 -50.6 -40.1 29.7 28.0 8.6 123 125 A K H >45S+ 0 0 106 -3,-0.4 3,-0.8 1,-0.2 -1,-0.3 0.796 107.0 54.3 -71.4 -32.7 29.7 31.5 7.2 124 126 A L H 3<5S+ 0 0 57 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.760 103.4 59.4 -68.7 -24.9 30.5 30.4 3.7 125 127 A L T 3<5S- 0 0 46 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.516 123.8-104.3 -79.5 -13.1 27.5 28.1 4.0 126 128 A G T < 5S+ 0 0 73 -3,-0.8 2,-0.3 1,-0.3 -3,-0.2 0.559 84.4 102.9 100.5 10.8 25.2 31.1 4.6 127 129 A A < - 0 0 25 -5,-1.9 -1,-0.3 0, 0.0 2,-0.3 -0.775 66.8-112.6-121.4 171.3 24.7 30.7 8.3 128 130 A N - 0 0 121 178,-0.3 2,-0.1 -2,-0.3 0, 0.0 -0.717 37.9-104.4 -95.9 148.4 25.7 32.2 11.6 129 131 A A + 0 0 60 -2,-0.3 174,-0.1 178,-0.0 -1,-0.1 -0.429 45.6 175.1 -67.1 144.7 27.8 30.4 14.2 130 132 A R - 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