==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE, LYASE 23-FEB-09 3GD6 . COMPND 2 MOLECULE: MUCONATE CYCLOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OCEANOBACILLUS IHEYENSIS HTE831; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,J.M.SAUDER,S.K.BURLEY,J.A.GERLT, . 374 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15087.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 8.8 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 0.3 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 0.3 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 . 30 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 0 1 0 0 0 2 3 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 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 PARALLEL BRIDGES PER LADDER . 3 1 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 93 0, 0.0 2,-0.4 0, 0.0 69,-0.2 0.000 360.0 360.0 360.0 -25.3 -5.6 -48.4 7.7 2 2 A K - 0 0 99 66,-0.2 29,-2.1 67,-0.1 66,-0.2 -0.992 360.0-121.8-134.4 130.0 -7.1 -45.1 9.1 3 3 A I E +A 30 0A 2 64,-2.6 63,-2.9 -2,-0.4 27,-0.3 -0.480 34.0 168.4 -68.4 131.7 -8.9 -42.3 7.2 4 4 A T E + 0 0 60 25,-2.2 2,-0.3 1,-0.3 26,-0.2 0.630 55.5 0.9-118.5 -24.0 -7.1 -39.0 7.7 5 5 A D E -A 29 0A 52 24,-1.1 24,-2.5 59,-0.1 2,-0.3 -0.986 52.2-143.5-161.1 168.2 -8.5 -36.6 5.2 6 6 A L E -A 28 0A 0 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.999 5.5-160.4-142.2 140.2 -11.0 -36.0 2.4 7 7 A E E -A 27 0A 49 20,-2.4 20,-2.0 -2,-0.3 2,-0.5 -0.979 4.5-174.5-122.5 134.1 -11.0 -33.9 -0.8 8 8 A L E -A 26 0A 18 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.940 10.2-180.0-128.0 105.9 -14.2 -32.9 -2.6 9 9 A H E -A 25 0A 79 16,-2.2 16,-3.0 -2,-0.5 2,-0.2 -0.935 17.8-142.7-114.8 120.6 -13.4 -31.1 -5.9 10 10 A A E -A 24 0A 7 -2,-0.5 359,-1.9 359,-0.4 2,-0.3 -0.550 21.2-178.1 -79.9 140.9 -16.2 -29.9 -8.1 11 11 A V E -AB 23 368A 1 12,-2.7 12,-2.8 357,-0.3 2,-0.5 -0.974 17.0-151.9-137.7 151.4 -15.9 -30.2 -11.9 12 12 A G E -A 22 0A 6 355,-3.3 10,-0.2 -2,-0.3 8,-0.0 -0.972 9.4-168.9-128.0 116.4 -18.1 -29.1 -14.8 13 13 A I E -A 21 0A 0 8,-1.7 8,-1.3 -2,-0.5 2,-0.1 -0.919 24.2-126.2-109.0 117.3 -17.9 -31.1 -18.0 14 14 A P E -A 20 0A 50 0, 0.0 316,-0.8 0, 0.0 317,-0.4 -0.360 25.1-137.0 -60.8 131.6 -19.6 -29.5 -21.0 15 15 A R B > -D 329 0B 72 4,-3.8 3,-3.0 314,-0.2 314,-0.2 -0.369 33.7 -92.6 -84.1 169.3 -22.1 -31.9 -22.6 16 16 A H T 3 S+ 0 0 108 312,-1.6 313,-0.1 1,-0.3 -1,-0.1 0.460 130.2 56.0 -61.5 2.7 -22.5 -32.3 -26.4 17 17 A T T 3 S- 0 0 104 2,-0.3 -1,-0.3 311,-0.2 3,-0.1 0.426 117.7-111.0-112.4 -5.6 -25.2 -29.6 -26.0 18 18 A G S < S+ 0 0 52 -3,-3.0 -2,-0.1 1,-0.4 0, 0.0 -0.065 80.7 123.8 99.0 -33.2 -22.9 -27.0 -24.3 19 19 A F - 0 0 103 -5,-0.2 -4,-3.8 1,-0.1 2,-0.5 -0.303 56.8-136.6 -60.6 144.4 -24.8 -27.4 -21.0 20 20 A V E -A 14 0A 57 -6,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.926 10.1-156.6-114.0 121.5 -22.4 -28.3 -18.2 21 21 A N E -A 13 0A 2 -8,-1.3 -8,-1.7 -2,-0.5 2,-0.5 -0.743 18.7-135.2 -90.4 140.2 -23.3 -30.9 -15.5 22 22 A K E +A 12 0A 42 -2,-0.4 21,-0.8 -10,-0.2 22,-0.3 -0.847 26.8 175.0-102.2 130.7 -21.4 -30.5 -12.2 23 23 A H E -A 11 0A 0 -12,-2.8 -12,-2.7 -2,-0.5 2,-0.5 -0.779 24.7-131.1-123.4 168.7 -19.8 -33.5 -10.5 24 24 A V E -AC 10 40A 0 16,-2.2 16,-2.9 -2,-0.3 2,-0.6 -0.993 12.3-149.0-125.2 125.8 -17.7 -33.9 -7.4 25 25 A I E -AC 9 39A 2 -16,-3.0 -16,-2.2 -2,-0.5 2,-0.3 -0.859 19.8-149.9 -95.7 122.8 -14.5 -36.0 -7.5 26 26 A V E -AC 8 38A 0 12,-3.1 12,-1.9 -2,-0.6 2,-0.4 -0.745 16.8-176.5 -98.8 139.6 -13.9 -37.6 -4.2 27 27 A K E -AC 7 37A 28 -20,-2.0 -20,-2.4 -2,-0.3 2,-0.6 -0.973 6.3-165.9-134.4 117.2 -10.5 -38.4 -2.7 28 28 A I E -AC 6 36A 0 8,-2.7 8,-2.2 -2,-0.4 -22,-0.2 -0.925 14.3-159.1-105.3 118.7 -10.3 -40.3 0.7 29 29 A H E -AC 5 35A 36 -24,-2.5 -25,-2.2 -2,-0.6 -24,-1.1 -0.614 4.5-160.0 -97.0 157.7 -6.8 -40.1 2.2 30 30 A T E > -A 3 0A 8 4,-0.8 3,-0.7 -27,-0.3 -27,-0.2 -0.856 33.8-105.9-131.9 166.9 -5.3 -42.4 4.8 31 31 A D T 3 S+ 0 0 86 -29,-2.1 -28,-0.1 -2,-0.3 -1,-0.1 0.817 119.9 51.1 -62.1 -32.1 -2.4 -42.4 7.3 32 32 A E T 3 S- 0 0 108 -30,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.684 118.3-110.2 -80.5 -18.5 -0.4 -44.8 5.1 33 33 A G S < S+ 0 0 53 -3,-0.7 -2,-0.1 1,-0.4 2,-0.1 0.224 71.5 132.9 112.0 -17.3 -0.9 -42.7 2.0 34 34 A L - 0 0 55 -5,-0.1 -4,-0.8 1,-0.0 2,-0.4 -0.400 40.5-153.4 -68.1 147.9 -3.2 -44.8 -0.2 35 35 A T E -C 29 0A 34 -6,-0.2 2,-0.4 71,-0.1 -6,-0.2 -0.983 7.9-150.4-129.3 135.4 -6.1 -42.8 -1.6 36 36 A G E -C 28 0A 0 -8,-2.2 -8,-2.7 -2,-0.4 2,-0.4 -0.863 16.0-151.7-102.7 136.3 -9.5 -44.0 -2.7 37 37 A I E +C 27 0A 10 -2,-0.4 2,-0.3 -10,-0.2 69,-0.3 -0.853 20.7 161.8-110.7 145.0 -11.3 -42.1 -5.5 38 38 A G E -C 26 0A 1 -12,-1.9 -12,-3.1 -2,-0.4 2,-0.4 -0.922 26.5-128.3-149.2 173.5 -15.0 -41.7 -6.1 39 39 A E E -C 25 0A 1 -2,-0.3 2,-0.7 -14,-0.2 -14,-0.2 -0.996 4.0-162.2-136.6 132.6 -17.6 -39.6 -8.0 40 40 A M E +C 24 0A 0 -16,-2.9 -16,-2.2 -2,-0.4 3,-0.2 -0.943 33.5 167.4-109.9 103.9 -20.7 -37.7 -6.9 41 41 A S + 0 0 0 -2,-0.7 -18,-0.1 -18,-0.2 258,-0.1 -0.426 39.9 51.9-109.0-173.8 -22.7 -37.1 -10.0 42 42 A D + 0 0 3 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.660 54.6 138.7 60.6 23.8 -26.2 -36.0 -11.0 43 43 A F + 0 0 12 -21,-0.8 2,-1.7 1,-0.2 -1,-0.1 0.707 55.0 84.8 -68.1 -16.3 -26.2 -32.8 -8.8 44 44 A S S S+ 0 0 25 -22,-0.3 2,-0.3 4,-0.0 -1,-0.2 -0.332 73.4 92.5 -84.4 56.1 -27.9 -31.1 -11.8 45 45 A H S S- 0 0 31 -2,-1.7 47,-0.0 2,-0.2 0, 0.0 -0.945 76.2 -58.1-140.7 157.9 -31.4 -32.3 -10.8 46 46 A L S S+ 0 0 95 -2,-0.3 2,-0.2 2,-0.1 44,-0.1 -0.367 86.7 87.2 -69.0 159.6 -34.1 -30.7 -8.8 47 47 A P S S- 0 0 37 0, 0.0 2,-2.0 0, 0.0 -2,-0.2 0.417 80.2-128.2 -61.5 154.3 -34.6 -29.6 -6.0 48 48 A L S S+ 0 0 123 -2,-0.2 2,-0.3 -4,-0.1 -2,-0.1 -0.347 73.5 94.4 -78.5 56.5 -33.3 -26.2 -7.1 49 49 A Y - 0 0 130 -2,-2.0 2,-0.4 324,-0.0 0, 0.0 -0.965 62.7-133.9-141.8 157.1 -30.8 -25.7 -4.4 50 50 A S - 0 0 57 -2,-0.3 2,-0.3 0, 0.0 323,-0.1 -0.892 17.0-121.9-117.3 148.0 -27.1 -26.4 -4.1 51 51 A V - 0 0 36 -2,-0.4 2,-0.8 321,-0.1 321,-0.4 -0.677 24.2-119.8 -89.0 138.1 -25.0 -28.0 -1.4 52 52 A D > - 0 0 97 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 -0.669 23.0-164.2 -76.7 109.9 -22.2 -26.1 0.3 53 53 A L H > S+ 0 0 24 -2,-0.8 4,-2.7 2,-0.2 5,-0.2 0.835 85.7 57.3 -67.5 -33.5 -19.1 -28.3 -0.4 54 54 A H H > S+ 0 0 138 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.968 113.1 40.8 -60.2 -50.2 -16.9 -26.6 2.3 55 55 A D H > S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.899 113.5 54.5 -63.9 -41.8 -19.5 -27.5 4.9 56 56 A L H X S+ 0 0 10 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.899 105.3 52.4 -61.1 -42.1 -20.1 -31.0 3.4 57 57 A K H X S+ 0 0 71 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.946 110.6 49.3 -58.2 -47.2 -16.4 -31.8 3.5 58 58 A Q H X S+ 0 0 99 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.916 112.6 45.9 -57.7 -48.8 -16.4 -30.9 7.2 59 59 A G H X S+ 0 0 34 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.917 113.9 48.2 -63.4 -43.5 -19.4 -33.0 8.0 60 60 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.849 110.8 51.3 -66.8 -34.2 -18.2 -36.0 6.1 61 61 A L H X S+ 0 0 23 -4,-2.3 4,-3.6 -5,-0.2 -1,-0.2 0.905 103.1 58.3 -69.3 -40.1 -14.7 -35.8 7.8 62 62 A S H < S+ 0 0 100 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.826 113.3 41.3 -57.5 -31.4 -16.3 -35.7 11.2 63 63 A I H < S+ 0 0 26 -4,-1.1 -2,-0.2 -5,-0.1 -1,-0.2 0.905 124.4 34.3 -81.3 -45.9 -17.9 -39.0 10.4 64 64 A L H >< S+ 0 0 1 -4,-2.4 3,-2.4 -5,-0.1 -61,-0.3 0.750 82.9 118.1 -84.1 -29.1 -14.9 -40.6 8.6 65 65 A L T 3< S+ 0 0 106 -4,-3.6 -61,-0.2 1,-0.3 3,-0.1 -0.146 88.5 2.6 -49.3 123.1 -11.9 -39.3 10.5 66 66 A G T 3 S+ 0 0 46 -63,-2.9 -1,-0.3 1,-0.3 2,-0.1 0.409 99.6 132.9 83.1 -1.8 -9.9 -42.0 12.2 67 67 A Q < - 0 0 22 -3,-2.4 -64,-2.6 -64,-0.1 -1,-0.3 -0.425 62.9-112.7 -85.6 159.7 -12.0 -44.9 10.9 68 68 A N > - 0 0 54 -66,-0.2 3,-2.6 1,-0.1 7,-0.2 -0.795 20.3-145.6 -88.1 115.0 -11.0 -48.2 9.3 69 69 A P T 3 S+ 0 0 4 0, 0.0 39,-0.2 0, 0.0 -1,-0.1 0.702 96.0 68.2 -56.0 -18.5 -12.1 -48.0 5.6 70 70 A F T 3 S+ 0 0 64 -69,-0.2 2,-1.9 1,-0.2 3,-0.3 0.633 75.3 85.5 -77.2 -12.7 -12.7 -51.8 5.8 71 71 A D <> + 0 0 71 -3,-2.6 4,-2.8 1,-0.2 5,-0.2 -0.409 53.5 153.0 -84.7 61.6 -15.6 -51.2 8.2 72 72 A L H > + 0 0 19 -2,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.867 67.0 49.4 -59.8 -42.5 -18.0 -50.7 5.3 73 73 A M H > S+ 0 0 111 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.944 114.4 45.4 -64.7 -45.8 -21.1 -51.8 7.1 74 74 A K H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.935 115.6 46.0 -61.2 -49.2 -20.4 -49.6 10.0 75 75 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.904 111.1 51.9 -63.3 -42.8 -19.5 -46.6 7.9 76 76 A N H X S+ 0 0 2 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.849 107.5 52.8 -64.7 -32.4 -22.5 -47.0 5.6 77 77 A K H X S+ 0 0 127 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.911 110.8 47.5 -67.6 -39.9 -24.8 -47.1 8.6 78 78 A E H X S+ 0 0 48 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.866 111.9 50.4 -68.0 -34.7 -23.3 -43.8 9.8 79 79 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.941 112.0 46.3 -67.2 -46.8 -23.7 -42.4 6.3 80 80 A T H < S+ 0 0 45 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.884 108.7 57.6 -61.4 -38.6 -27.3 -43.4 6.1 81 81 A D H < S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.887 116.3 34.3 -58.7 -41.0 -27.8 -42.0 9.6 82 82 A N H < S+ 0 0 96 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.700 127.2 37.9 -88.3 -23.2 -26.6 -38.6 8.5 83 83 A F S < S- 0 0 40 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.1 -0.639 87.4-160.3-129.9 72.7 -28.0 -38.7 5.0 84 84 A P - 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0 0 0 27,-2.7 3,-2.2 -2,-0.6 28,-0.2 0.552 28.5-143.3 -89.4 -10.6 -41.8 -43.0 -19.7 195 195 A S T 3 - 0 0 32 26,-0.4 27,-0.1 1,-0.3 31,-0.1 0.763 60.4 -70.3 53.2 31.1 -39.8 -41.3 -17.0 196 196 A H T 3 S+ 0 0 27 26,-2.2 30,-0.3 25,-0.2 -1,-0.3 0.672 103.3 128.0 64.1 18.2 -42.7 -41.2 -14.6 197 197 A L < + 0 0 96 -3,-2.2 2,-0.3 25,-0.2 -2,-0.1 0.705 59.0 52.4 -79.9 -19.5 -44.4 -38.6 -16.7 198 198 A L S S- 0 0 35 -4,-0.2 -2,-0.1 26,-0.0 2,-0.1 -0.873 83.1-114.7-120.2 150.5 -47.8 -40.3 -17.2 199 199 A N > - 0 0 77 -2,-0.3 4,-2.2 25,-0.2 3,-0.3 -0.394 47.8-100.3 -70.3 161.2 -50.3 -41.8 -14.7 200 200 A W H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.841 120.3 52.7 -58.1 -36.3 -50.5 -45.6 -15.3 201 201 A K H > S+ 0 0 139 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.912 110.9 47.1 -66.9 -39.7 -53.7 -45.6 -17.4 202 202 A D H > S+ 0 0 83 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.884 112.2 50.7 -67.4 -36.8 -52.3 -43.0 -19.8 203 203 A A H X S+ 0 0 0 -4,-2.2 4,-3.4 20,-0.2 -2,-0.2 0.906 105.9 56.5 -65.7 -39.6 -49.1 -45.0 -20.0 204 204 A H H X S+ 0 0 36 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.904 106.9 48.9 -57.9 -43.0 -51.2 -48.2 -20.7 205 205 A R H X S+ 0 0 184 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.926 114.3 45.0 -62.7 -45.7 -52.7 -46.4 -23.7 206 206 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.913 110.9 54.3 -64.3 -44.4 -49.3 -45.3 -25.0 207 207 A I H X S+ 0 0 6 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.901 104.8 54.3 -57.6 -43.2 -47.9 -48.8 -24.3 208 208 A K H < S+ 0 0 116 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.879 114.3 40.1 -61.4 -37.8 -50.6 -50.5 -26.4 209 209 A R H >< S+ 0 0 82 -4,-1.4 3,-0.8 -3,-0.2 -2,-0.2 0.870 117.8 46.0 -80.4 -36.4 -49.9 -48.3 -29.4 210 210 A L H >< S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.2 -2,-0.2 0.837 101.6 64.7 -75.6 -32.3 -46.1 -48.3 -29.2 211 211 A T T 3< S+ 0 0 32 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.454 76.8 86.2 -71.3 3.2 -45.8 -52.0 -28.6 212 212 A K T < S+ 0 0 155 -3,-0.8 2,-0.6 1,-0.2 -1,-0.3 0.703 88.3 62.4 -70.4 -17.3 -47.2 -52.5 -32.1 213 213 A Y < + 0 0 49 -3,-2.1 2,-0.7 -4,-0.1 -1,-0.2 -0.930 68.0 177.4-111.4 106.0 -43.5 -52.1 -32.8 214 214 A D + 0 0 86 -2,-0.6 2,-1.4 2,-0.1 -3,-0.1 -0.709 8.7 165.0-111.5 78.1 -41.5 -54.9 -31.1 215 215 A L S S- 0 0 12 -2,-0.7 -26,-2.3 -26,-0.2 3,-0.1 -0.503 87.3 -51.7 -91.5 65.5 -37.9 -54.2 -32.2 216 216 A G S S- 0 0 31 -2,-1.4 -1,-0.2 -28,-0.2 2,-0.2 0.886 83.9-171.5 68.9 36.7 -36.4 -56.5 -29.6 217 217 A L + 0 0 14 1,-0.2 -27,-0.2 -6,-0.1 -1,-0.2 -0.447 16.2 172.5 -65.1 130.9 -38.4 -54.8 -26.9 218 218 A E - 0 0 27 -28,-2.6 2,-0.3 1,-0.4 -27,-0.2 0.732 55.8 -9.7-109.5 -35.7 -37.3 -56.0 -23.5 219 219 A M E -k 191 0F 0 -29,-2.2 -27,-1.1 22,-0.1 2,-0.5 -0.985 51.9-119.1-160.9 166.1 -39.2 -53.8 -21.0 220 220 A I E -kl 192 243F 0 22,-2.3 24,-2.8 -2,-0.3 2,-0.4 -0.981 39.2-146.9-113.4 119.0 -41.3 -50.8 -20.3 221 221 A E E -kl 193 244F 0 -29,-2.0 -27,-2.7 -2,-0.5 -26,-0.4 -0.736 60.9 -16.9 -98.5 136.1 -39.5 -48.4 -18.0 222 222 A S + 0 0 0 22,-2.3 -26,-2.2 -2,-0.4 -25,-0.2 0.828 69.9 166.2 44.5 49.6 -41.0 -46.1 -15.3 223 223 A P + 0 0 0 0, 0.0 -20,-0.2 0, 0.0 -1,-0.1 0.222 56.3 51.0 -78.8 16.4 -44.6 -46.3 -16.7 224 224 A A S S- 0 0 0 -21,-0.1 -25,-0.2 -22,-0.1 3,-0.1 -0.970 96.5 -81.7-147.0 160.4 -46.1 -44.7 -13.5 225 225 A P > - 0 0 45 0, 0.0 3,-2.0 0, 0.0 7,-0.1 -0.160 69.4 -72.7 -58.2 159.2 -45.7 -41.7 -11.3 226 226 A R T 3 S+ 0 0 111 -30,-0.3 3,-0.1 1,-0.3 -138,-0.0 -0.319 118.0 2.7 -59.9 131.5 -42.9 -41.9 -8.7 227 227 A N T 3 S+ 0 0 45 1,-0.2 2,-1.8 -3,-0.1 -1,-0.3 0.610 85.0 139.4 67.6 15.6 -43.9 -44.2 -5.8 228 228 A D <> + 0 0 48 -3,-2.0 4,-2.2 1,-0.2 -1,-0.2 -0.576 19.2 163.9 -87.7 75.4 -47.2 -45.2 -7.4 229 229 A F H > S+ 0 0 23 -2,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.876 70.1 50.2 -63.1 -41.3 -46.9 -48.8 -6.4 230 230 A D H > S+ 0 0 99 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.865 111.1 51.5 -66.9 -33.8 -50.5 -49.8 -7.0 231 231 A G H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.904 108.5 49.6 -67.6 -43.8 -50.3 -48.2 -10.4 232 232 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.927 110.7 52.0 -60.3 -43.4 -47.2 -50.1 -11.3 233 233 A Y H X S+ 0 0 81 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.923 109.5 47.5 -59.9 -46.9 -48.9 -53.3 -10.2 234 234 A Q H X S+ 0 0 75 -4,-2.2 4,-1.4 1,-0.2 3,-0.2 0.939 114.6 46.8 -60.7 -45.6 -52.0 -52.7 -12.3 235 235 A L H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.868 106.5 59.1 -64.3 -35.9 -49.8 -52.0 -15.3 236 236 A R H < S+ 0 0 55 -4,-2.7 -1,-0.2 25,-0.3 3,-0.2 0.888 108.4 45.1 -60.5 -38.1 -47.7 -55.0 -14.6 237 237 A L H < S+ 0 0 100 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.770 116.7 44.7 -76.3 -26.9 -50.8 -57.2 -14.9 238 238 A K H < S+ 0 0 106 -4,-1.4 2,-0.5 -5,-0.2 -2,-0.2 0.479 101.3 77.9 -95.8 -4.7 -52.0 -55.5 -18.1 239 239 A T < - 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