==== 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 23-JAN-09 3FYY . 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, . 750 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 525 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 8.9 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 2 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 . 52 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 30.9 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 2 0 0 2 2 6 2 4 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 6 2 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 . 8 1 2 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 . 0 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 39 0, 0.0 2,-0.4 0, 0.0 69,-0.2 0.000 360.0 360.0 360.0 109.3 -13.0 34.7 30.4 2 2 A K - 0 0 93 66,-0.2 29,-1.7 67,-0.1 2,-0.4 -0.988 360.0-113.1-140.5 147.3 -12.2 38.4 31.1 3 3 A I E +A 30 0A 1 64,-2.2 63,-3.4 61,-0.4 27,-0.3 -0.591 33.8 170.4 -75.0 124.7 -11.7 41.7 29.2 4 4 A T E + 0 0 62 25,-2.6 2,-0.3 -2,-0.4 26,-0.2 0.638 57.7 2.8-110.4 -21.6 -8.1 42.8 29.7 5 5 A D E -A 29 0A 59 24,-1.5 24,-2.0 59,-0.1 2,-0.3 -0.986 52.2-147.0-161.0 168.2 -7.7 45.7 27.2 6 6 A L E -A 28 0A 0 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.998 8.2-166.1-144.8 138.3 -9.4 48.0 24.7 7 7 A E E -A 27 0A 56 20,-2.4 20,-2.0 -2,-0.3 2,-0.5 -0.976 2.7-166.0-127.5 140.1 -8.2 49.7 21.5 8 8 A L E -A 26 0A 28 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.977 6.0-169.7-127.1 115.8 -9.9 52.4 19.5 9 9 A H E -A 25 0A 47 16,-2.6 16,-3.1 -2,-0.5 2,-0.4 -0.922 11.2-150.1-110.1 112.4 -8.5 53.1 16.0 10 10 A A E +A 24 0A 7 -2,-0.6 359,-2.4 359,-0.3 2,-0.3 -0.658 22.1 177.4 -81.7 130.3 -9.8 56.2 14.2 11 11 A V E -AB 23 368A 1 12,-2.6 12,-2.6 -2,-0.4 2,-0.5 -0.961 21.7-154.4-134.0 151.2 -9.9 56.0 10.5 12 12 A G E -A 22 0A 7 355,-2.6 10,-0.2 -2,-0.3 8,-0.0 -0.961 14.1-176.9-128.1 111.9 -11.1 58.2 7.7 13 13 A I E -A 21 0A 0 8,-1.8 8,-1.3 -2,-0.5 -2,-0.0 -0.935 20.7-133.7-113.5 119.5 -12.2 56.6 4.5 14 14 A P E -A 20 0A 39 0, 0.0 316,-2.3 0, 0.0 317,-0.4 -0.330 14.4-129.9 -69.8 150.7 -13.2 58.8 1.6 15 15 A R B > -D 329 0B 40 4,-2.3 3,-1.7 314,-0.3 314,-0.3 -0.520 34.1-101.7 -89.0 165.3 -16.4 58.1 -0.4 16 16 A H T 3 S+ 0 0 123 312,-2.2 313,-0.1 1,-0.3 -1,-0.1 0.795 125.4 58.7 -58.8 -24.4 -16.1 58.0 -4.2 17 17 A T T 3 S- 0 0 128 311,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.629 121.3-105.0 -80.6 -15.7 -17.6 61.5 -4.0 18 18 A G S < S+ 0 0 47 -3,-1.7 2,-0.1 1,-0.4 -2,-0.1 0.010 76.5 125.4 120.0 -33.2 -14.8 62.9 -1.9 19 19 A F - 0 0 104 -5,-0.1 -4,-2.3 1,-0.1 2,-0.8 -0.416 52.3-140.5 -66.0 135.5 -16.2 63.3 1.6 20 20 A V E -A 14 0A 57 -6,-0.3 2,-0.2 -2,-0.1 -1,-0.1 -0.830 14.9-158.6-102.5 100.0 -14.1 61.5 4.2 21 21 A N E -A 13 0A 4 -8,-1.3 -8,-1.8 -2,-0.8 2,-0.5 -0.527 11.4-136.8 -76.1 140.8 -16.3 59.8 6.9 22 22 A K E +A 12 0A 23 -10,-0.2 21,-3.0 -2,-0.2 22,-0.6 -0.860 27.8 169.4-104.2 133.4 -14.6 59.1 10.2 23 23 A H E -A 11 0A 0 -12,-2.6 -12,-2.6 -2,-0.5 2,-0.4 -0.831 26.7-133.6-130.4 168.7 -15.2 55.8 11.9 24 24 A V E -AC 10 40A 0 16,-1.6 16,-3.3 -2,-0.3 2,-0.4 -0.980 14.0-147.6-131.0 118.5 -13.6 54.1 14.9 25 25 A I E -AC 9 39A 0 -16,-3.1 -16,-2.6 -2,-0.4 2,-0.4 -0.728 18.5-146.0 -86.6 132.8 -12.6 50.5 14.8 26 26 A V E -AC 8 38A 0 12,-2.8 12,-2.1 -2,-0.4 2,-0.4 -0.826 17.4-176.0-107.1 138.0 -12.8 48.6 18.1 27 27 A K E -AC 7 37A 19 -20,-2.0 -20,-2.4 -2,-0.4 2,-0.6 -0.996 5.1-167.7-129.1 123.9 -10.7 45.8 19.5 28 28 A I E -AC 6 36A 0 8,-2.5 8,-2.4 -2,-0.4 2,-0.3 -0.954 12.7-160.3-115.4 114.4 -11.6 44.2 22.8 29 29 A H E -AC 5 35A 36 -24,-2.0 -25,-2.6 -2,-0.6 -24,-1.5 -0.655 5.7-164.9 -95.9 150.9 -8.8 42.0 24.2 30 30 A T E > -A 3 0A 9 4,-0.8 3,-1.2 -27,-0.3 -27,-0.2 -0.746 36.6-103.4-127.2 174.2 -9.1 39.2 26.7 31 31 A D T 3 S+ 0 0 73 -29,-1.7 -28,-0.1 1,-0.2 -2,-0.0 0.646 118.2 56.1 -72.3 -15.5 -6.9 37.1 29.0 32 32 A E T 3 S- 0 0 102 -30,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.287 118.0-107.2-100.1 9.2 -7.2 34.1 26.7 33 33 A G S < S+ 0 0 64 -3,-1.2 2,-0.4 1,-0.3 -2,-0.1 0.470 75.3 135.8 81.7 0.8 -5.9 36.0 23.7 34 34 A L - 0 0 41 -5,-0.0 -4,-0.8 74,-0.0 2,-0.4 -0.692 36.5-162.3 -85.1 134.1 -9.3 36.2 21.9 35 35 A T E -C 29 0A 38 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.964 6.8-152.5-122.2 129.8 -10.0 39.6 20.4 36 36 A G E -C 28 0A 0 -8,-2.4 -8,-2.5 -2,-0.4 2,-0.4 -0.809 12.4-152.5 -99.2 138.8 -13.4 40.9 19.4 37 37 A I E +C 27 0A 11 -2,-0.4 2,-0.3 -10,-0.2 69,-0.2 -0.899 21.5 158.9-114.2 142.3 -13.7 43.5 16.6 38 38 A G E -C 26 0A 0 -12,-2.1 -12,-2.8 -2,-0.4 2,-0.4 -0.847 28.6-126.3-145.7-178.6 -16.4 46.1 16.2 39 39 A E E -C 25 0A 1 -2,-0.3 2,-1.4 -14,-0.2 -14,-0.2 -0.962 5.3-154.1-145.6 120.8 -17.0 49.4 14.5 40 40 A M E -C 24 0A 0 -16,-3.3 -16,-1.6 -2,-0.4 3,-0.2 -0.774 44.5-143.5 -89.2 90.3 -18.3 52.8 15.9 41 41 A S - 0 0 1 -2,-1.4 -18,-0.1 54,-0.2 258,-0.1 -0.369 48.9 -16.2 -71.8 134.9 -19.7 53.7 12.4 42 42 A D - 0 0 2 256,-0.2 -19,-0.2 -2,-0.2 -1,-0.2 0.917 50.0-179.8 41.4 85.4 -19.8 57.2 10.9 43 43 A F + 0 0 10 -21,-3.0 2,-2.3 -3,-0.2 -20,-0.1 0.531 57.7 103.7 -82.0 -7.3 -19.2 59.8 13.6 44 44 A S + 0 0 20 -22,-0.6 2,-0.3 4,-0.0 -1,-0.2 -0.297 55.5 100.9 -77.5 58.1 -19.5 62.4 10.8 45 45 A H S S- 0 0 34 -2,-2.3 47,-0.1 2,-0.2 -3,-0.0 -0.912 71.9 -56.7-133.5 158.6 -23.0 63.6 11.7 46 46 A L S S+ 0 0 60 -2,-0.3 2,-0.2 2,-0.1 413,-0.1 -0.353 88.8 85.1 -64.7 158.1 -24.2 66.7 13.6 47 47 A P S S- 0 0 2 0, 0.0 2,-2.1 0, 0.0 412,-0.2 0.431 80.2-129.1 -65.8 153.6 -23.9 67.9 16.3 48 48 A L S S+ 0 0 21 410,-3.0 2,-0.3 -2,-0.2 -2,-0.1 -0.208 75.2 92.1 -73.3 46.2 -20.8 69.8 15.1 49 49 A Y - 0 0 1 -2,-2.1 2,-0.4 409,-0.1 380,-0.1 -0.896 63.2-136.2-131.7 164.6 -18.5 68.7 17.9 50 50 A S - 0 0 5 378,-0.3 378,-2.7 -2,-0.3 2,-0.3 -0.951 15.0-118.0-128.0 149.7 -16.1 65.7 18.3 51 51 A V B -E 427 0C 4 -2,-0.4 2,-0.7 376,-0.2 321,-0.4 -0.616 24.8-119.9 -86.8 138.6 -15.4 63.3 21.1 52 52 A D > - 0 0 32 374,-2.4 4,-2.3 -2,-0.3 374,-0.3 -0.672 22.9-163.9 -76.4 111.3 -11.9 62.9 22.7 53 53 A L H > S+ 0 0 22 -2,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.752 85.9 57.0 -71.5 -24.5 -10.9 59.3 22.0 54 54 A H H > S+ 0 0 153 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.955 111.8 41.8 -70.2 -47.8 -8.2 59.3 24.6 55 55 A D H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.918 115.2 52.7 -62.8 -42.2 -10.7 60.2 27.3 56 56 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.901 104.2 53.8 -62.4 -43.0 -13.2 57.8 25.8 57 57 A K H X S+ 0 0 67 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.908 110.5 49.4 -58.9 -39.1 -10.9 54.8 25.8 58 58 A Q H X S+ 0 0 125 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.938 112.0 46.2 -64.9 -48.0 -10.3 55.5 29.5 59 59 A G H X S+ 0 0 12 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.942 115.5 45.7 -60.4 -48.1 -14.0 55.7 30.4 60 60 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.855 110.8 53.7 -65.1 -35.6 -14.9 52.6 28.4 61 61 A L H X S+ 0 0 22 -4,-2.2 4,-3.4 -5,-0.3 -1,-0.2 0.918 104.5 54.1 -65.6 -42.2 -11.9 50.7 29.9 62 62 A S H < S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.850 113.7 44.8 -59.4 -33.3 -13.1 51.4 33.4 63 63 A I H < S+ 0 0 18 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.923 123.5 31.8 -75.1 -47.3 -16.4 50.0 32.4 64 64 A L H >< S+ 0 0 0 -4,-2.7 3,-2.5 -5,-0.1 -61,-0.4 0.761 83.7 117.2 -85.3 -30.0 -15.2 46.9 30.6 65 65 A L T 3< S+ 0 0 103 -4,-3.4 -61,-0.2 1,-0.3 -59,-0.0 -0.140 90.3 2.5 -48.4 124.3 -11.9 45.9 32.4 66 66 A G T 3 S+ 0 0 47 -63,-3.4 -1,-0.3 1,-0.2 -62,-0.1 0.426 98.5 137.1 80.3 -0.8 -12.2 42.5 34.1 67 67 A Q < - 0 0 19 -3,-2.5 -64,-2.2 -64,-0.2 -1,-0.2 -0.395 60.9-114.8 -82.0 156.6 -15.7 41.8 32.8 68 68 A N > - 0 0 61 -66,-0.2 3,-2.7 1,-0.1 7,-0.2 -0.809 21.4-144.3 -88.0 114.3 -17.0 38.5 31.4 69 69 A P T 3 S+ 0 0 0 0, 0.0 39,-0.2 0, 0.0 -1,-0.1 0.723 96.7 66.8 -52.7 -22.9 -17.8 39.3 27.7 70 70 A F T 3 S+ 0 0 65 1,-0.2 2,-1.8 -69,-0.2 3,-0.3 0.604 76.2 88.1 -75.7 -11.0 -20.8 36.9 27.9 71 71 A D <> + 0 0 69 -3,-2.7 4,-2.9 1,-0.2 5,-0.2 -0.401 49.5 150.9 -84.6 61.5 -22.5 39.3 30.4 72 72 A L H > + 0 0 22 -2,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.872 68.0 49.7 -62.4 -40.1 -24.1 41.2 27.5 73 73 A M H > S+ 0 0 109 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.929 115.7 43.0 -65.8 -44.7 -27.2 42.3 29.5 74 74 A K H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.941 116.6 46.5 -65.2 -50.7 -25.1 43.6 32.4 75 75 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.928 112.3 50.1 -60.6 -44.8 -22.5 45.3 30.2 76 76 A N H X S+ 0 0 4 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.850 107.2 54.9 -64.2 -33.0 -25.2 46.9 28.0 77 77 A K H X S+ 0 0 130 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.916 110.9 45.6 -64.4 -42.4 -27.0 48.2 31.1 78 78 A E H X S+ 0 0 50 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.909 111.0 52.5 -67.9 -40.5 -23.7 49.9 32.3 79 79 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.940 112.0 46.0 -59.9 -45.7 -23.0 51.3 28.8 80 80 A T H < S+ 0 0 43 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.856 107.0 58.4 -65.6 -35.1 -26.5 52.8 28.7 81 81 A D H < S+ 0 0 81 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.916 117.2 33.9 -59.2 -41.8 -26.0 54.2 32.2 82 82 A N H < S+ 0 0 31 -4,-2.0 342,-2.9 1,-0.2 -2,-0.2 0.753 128.3 36.6 -85.5 -27.5 -23.0 56.1 31.0 83 83 A F S < S- 0 0 0 -4,-2.6 -1,-0.2 340,-0.2 -2,-0.1 -0.686 86.8-160.4-127.7 75.5 -24.2 56.8 27.4 84 84 A P - 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0 0 0 27,-2.5 3,-2.3 -2,-0.6 4,-0.2 0.493 30.5-141.7 -88.1 -6.2 -37.8 62.8 3.3 195 195 A S T 3 - 0 0 33 26,-0.4 27,-0.1 1,-0.3 31,-0.1 0.815 60.9 -67.0 47.0 39.3 -35.2 62.7 6.0 196 196 A H T 3 S+ 0 0 19 26,-1.8 30,-0.3 25,-0.2 -1,-0.3 0.671 103.8 127.5 60.9 19.7 -37.5 64.6 8.4 197 197 A L < + 0 0 82 -3,-2.3 2,-0.3 25,-0.2 -2,-0.1 0.755 58.5 53.3 -79.5 -25.3 -37.3 67.7 6.3 198 198 A L S S- 0 0 35 24,-0.3 2,-0.1 -4,-0.2 -2,-0.1 -0.826 82.4-114.1-115.9 151.5 -41.0 68.4 5.8 199 199 A N > - 0 0 77 -2,-0.3 4,-2.3 25,-0.2 3,-0.4 -0.428 47.0-101.2 -71.3 157.2 -43.9 68.9 8.2 200 200 A W H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.829 120.5 49.9 -54.6 -36.8 -46.4 66.0 7.7 201 201 A K H > S+ 0 0 142 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.896 111.7 47.9 -69.8 -38.5 -48.9 68.0 5.6 202 202 A D H > S+ 0 0 85 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.877 112.2 50.9 -67.4 -34.2 -46.2 69.3 3.3 203 203 A A H X S+ 0 0 0 -4,-2.3 4,-3.4 20,-0.2 5,-0.2 0.874 105.0 57.6 -68.7 -36.6 -44.9 65.7 3.0 204 204 A H H X S+ 0 0 28 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.931 107.9 45.9 -59.0 -46.6 -48.5 64.6 2.2 205 205 A R H X S+ 0 0 190 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.889 114.7 48.0 -63.7 -39.9 -48.6 66.9 -0.8 206 206 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.920 111.0 50.4 -66.1 -45.0 -45.1 65.8 -1.9 207 207 A I H X S+ 0 0 6 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.912 106.8 56.3 -58.6 -43.7 -46.1 62.1 -1.5 208 208 A K H < S+ 0 0 103 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.859 114.6 37.1 -59.1 -38.5 -49.2 62.7 -3.6 209 209 A R H >< S+ 0 0 70 -4,-1.4 3,-1.0 -3,-0.2 -2,-0.2 0.886 117.9 48.0 -84.4 -37.8 -47.2 64.0 -6.5 210 210 A L H >< S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.2 -2,-0.2 0.866 101.8 63.2 -70.5 -36.5 -44.1 61.8 -6.3 211 211 A T T 3< S+ 0 0 26 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.439 74.8 88.4 -70.7 3.1 -46.1 58.5 -6.0 212 212 A K T < S+ 0 0 148 -3,-1.0 2,-0.6 1,-0.2 -1,-0.3 0.811 89.5 60.9 -64.2 -25.8 -47.5 59.2 -9.4 213 213 A Y S < S+ 0 0 47 -3,-2.1 2,-0.5 -4,-0.2 -1,-0.2 -0.911 70.4 173.2-103.2 115.2 -44.3 57.2 -10.1 214 214 A D + 0 0 79 -2,-0.6 2,-0.8 -38,-0.0 -3,-0.1 -0.869 5.4 168.2-126.8 93.4 -44.5 53.8 -8.4 215 215 A L S S- 0 0 18 -2,-0.5 -26,-2.5 -26,-0.3 3,-0.1 -0.661 86.2 -48.1-105.2 73.3 -41.5 51.8 -9.4 216 216 A G S S- 0 0 32 -2,-0.8 2,-0.2 -28,-0.2 -1,-0.1 0.865 85.3-172.8 66.4 33.4 -41.8 48.9 -7.0 217 217 A L + 0 0 14 1,-0.2 -27,-0.2 -6,-0.1 -1,-0.2 -0.419 16.1 172.5 -63.8 130.9 -42.3 51.5 -4.2 218 218 A E - 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0 0 0 27,-2.5 3,-2.5 -2,-0.6 4,-0.2 0.507 28.5-142.9 -88.3 -7.5 -37.8 63.6 42.0 571 195 B S T 3 - 0 0 33 26,-0.4 27,-0.1 1,-0.3 31,-0.1 0.832 62.4 -66.9 46.2 40.3 -35.2 64.2 39.3 572 196 B H T 3 S+ 0 0 21 26,-1.8 30,-0.3 25,-0.2 -1,-0.3 0.627 103.2 129.4 60.9 15.7 -37.1 61.8 37.0 573 197 B L < + 0 0 79 -3,-2.5 2,-0.3 -32,-0.2 -2,-0.1 0.765 59.1 52.3 -72.6 -27.3 -36.2 58.8 39.2 574 198 B L S S- 0 0 33 24,-0.3 2,-0.1 -4,-0.2 -2,-0.1 -0.854 82.2-115.9-116.7 149.1 -39.7 57.3 39.6 575 199 B N > - 0 0 78 -2,-0.3 4,-2.2 25,-0.2 3,-0.4 -0.424 47.6-101.7 -69.6 156.2 -42.4 56.2 37.2 576 200 B W H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.825 120.1 52.9 -55.1 -36.7 -45.4 58.5 37.8 577 201 B K H > S+ 0 0 142 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.929 111.5 46.3 -66.4 -41.5 -47.4 56.0 39.8 578 202 B D H > S+ 0 0 79 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.890 111.8 51.6 -66.8 -36.6 -44.5 55.5 42.2 579 203 B A H X S+ 0 0 0 -4,-2.2 4,-3.5 20,-0.3 5,-0.2 0.892 104.4 58.2 -65.1 -38.2 -44.0 59.2 42.5 580 204 B H H X S+ 0 0 42 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.929 107.4 46.7 -56.3 -45.7 -47.8 59.6 43.2 581 205 B R H X S+ 0 0 191 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.921 114.0 47.9 -62.4 -44.0 -47.3 57.3 46.3 582 206 B A H X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.2 3,-0.4 0.940 110.4 51.7 -61.5 -48.5 -44.2 59.3 47.3 583 207 B I H X S+ 0 0 7 -4,-3.5 4,-2.9 1,-0.2 -1,-0.2 0.900 104.6 57.6 -54.7 -45.1 -46.0 62.6 46.9 584 208 B K H < S+ 0 0 104 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.875 116.1 33.7 -56.9 -41.5 -48.9 61.4 49.1 585 209 B R H >< S+ 0 0 80 -4,-1.4 3,-1.0 -3,-0.4 -2,-0.2 0.853 118.3 51.3 -85.7 -34.3 -46.6 60.7 52.0 586 210 B L H >< S+ 0 0 0 -4,-3.2 3,-1.8 1,-0.2 -2,-0.2 0.881 103.0 59.1 -69.9 -37.2 -44.1 63.5 51.5 587 211 B T T 3< S+ 0 0 27 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.369 77.0 88.9 -75.2 8.3 -46.7 66.2 51.2 588 212 B K T < S+ 0 0 143 -3,-1.0 2,-0.6 1,-0.1 -1,-0.3 0.766 88.7 62.2 -69.3 -21.9 -47.9 65.3 54.7 589 213 B Y S < S+ 0 0 52 -3,-1.8 2,-0.4 -4,-0.2 -1,-0.1 -0.919 70.0 176.1-105.6 118.2 -45.2 67.9 55.4 590 214 B D + 0 0 77 -2,-0.6 2,-0.8 2,-0.1 -3,-0.1 -0.822 9.8 165.1-127.8 91.9 -46.0 71.3 53.9 591 215 B L S S- 0 0 14 -2,-0.4 -26,-2.6 -26,-0.3 3,-0.1 -0.645 88.7 -48.1-104.1 71.8 -43.4 73.9 54.7 592 216 B G S S- 0 0 33 -2,-0.8 -1,-0.1 -28,-0.2 -28,-0.1 0.832 83.4-169.9 69.2 31.0 -44.4 76.5 52.1 593 217 B L + 0 0 16 1,-0.2 -27,-0.2 -6,-0.1 -1,-0.2 -0.337 16.1 172.3 -58.1 128.9 -44.5 73.8 49.4 594 218 B E - 0 0 30 -28,-1.9 2,-0.3 1,-0.3 -27,-0.2 0.689 55.0 -7.9-111.0 -29.0 -44.9 75.4 46.0 595 219 B M E -b 567 0N 0 -29,-1.7 -27,-1.3 22,-0.1 2,-0.5 -0.993 48.9-125.4-164.9 164.8 -44.4 72.6 43.5 596 220 B I E -bc 568 619N 0 22,-2.2 24,-2.4 -2,-0.3 2,-0.4 -0.993 37.9-152.2-118.0 120.9 -43.5 69.0 42.8 597 221 B E E -bc 569 620N 0 -29,-2.1 -27,-2.5 -2,-0.5 -26,-0.4 -0.819 59.2 -10.9-106.8 140.2 -40.7 68.8 40.2 598 222 B S + 0 0 0 22,-2.4 -26,-1.8 -2,-0.4 -24,-0.3 0.820 67.4 163.8 48.4 46.6 -39.9 66.1 37.6 599 223 B P + 0 0 0 0, 0.0 -20,-0.3 0, 0.0 -1,-0.1 0.131 59.4 53.0 -79.4 22.3 -42.3 63.4 39.1 600 224 B A S S- 0 0 0 -21,-0.1 -25,-0.2 -22,-0.1 3,-0.1 -0.973 98.8 -80.7-150.1 159.5 -42.1 61.4 35.9 601 225 B P S > S- 0 0 47 0, 0.0 3,-2.4 0, 0.0 7,-0.1 -0.212 70.1 -72.4 -59.3 154.5 -39.4 59.8 33.7 602 226 B R T 3 S+ 0 0 87 -30,-0.3 3,-0.1 1,-0.3 -138,-0.0 -0.245 119.6 3.2 -53.1 128.6 -37.8 62.2 31.2 603 227 B N T 3 S+ 0 0 13 1,-0.2 2,-1.8 -3,-0.1 -1,-0.3 0.568 84.9 140.3 70.6 12.4 -40.2 63.0 28.4 604 228 B D <> + 0 0 26 -3,-2.4 4,-2.2 1,-0.2 -1,-0.2 -0.592 18.1 164.6 -85.4 78.1 -43.1 61.0 29.9 605 229 B F H > S+ 0 0 19 -2,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.873 71.7 50.7 -64.3 -41.5 -45.7 63.6 29.0 606 230 B D H > S+ 0 0 55 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.868 110.5 51.1 -65.9 -35.9 -48.7 61.4 29.6 607 231 B G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.918 109.0 49.7 -66.8 -44.2 -47.3 60.5 33.0 608 232 B L H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.935 111.9 50.0 -59.2 -46.3 -46.9 64.1 33.9 609 233 B Y H X S+ 0 0 82 -4,-2.3 4,-1.9 2,-0.2 3,-0.3 0.950 109.9 47.9 -57.1 -54.9 -50.5 64.8 32.8 610 234 B Q H X S+ 0 0 79 -4,-2.5 4,-1.1 1,-0.3 -1,-0.2 0.866 115.8 46.5 -55.7 -36.8 -52.0 61.9 34.8 611 235 B L H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -1,-0.3 0.772 105.7 58.4 -77.5 -26.0 -50.0 63.1 37.8 612 236 B R H < S+ 0 0 65 -4,-2.0 -2,-0.2 -3,-0.3 -1,-0.2 0.850 106.9 50.4 -69.9 -31.8 -51.1 66.7 37.2 613 237 B L H < S+ 0 0 102 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.795 114.3 41.5 -74.3 -33.1 -54.7 65.6 37.5 614 238 B K H < S+ 0 0 113 -4,-1.1 2,-0.5 -5,-0.2 -2,-0.2 0.594 103.0 78.6 -92.0 -12.7 -54.2 63.7 40.8 615 239 B T < - 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0 0 13 -221,-1.9 3,-0.2 -2,-0.3 -38,-0.1 -0.467 48.8 -95.7 -68.4 142.4 -30.3 91.8 38.8 724 348 B P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 -231,-0.1 -0.153 60.2 -64.4 -58.3 156.6 -26.8 93.3 38.2 725 349 B D > - 0 0 94 7,-0.2 3,-1.4 1,-0.2 -3,-0.0 -0.176 43.7-147.7 -44.2 118.6 -26.3 97.1 38.4 726 350 B R T 3 S+ 0 0 102 1,-0.3 -235,-0.6 -3,-0.2 -1,-0.2 0.640 95.8 64.3 -67.6 -14.2 -28.4 98.5 35.6 727 351 B S T 3 S+ 0 0 106 -237,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.633 85.6 83.6 -82.5 -19.2 -25.9 101.3 35.3 728 352 B V S < S- 0 0 65 -3,-1.4 -236,-0.3 2,-0.1 -238,-0.1 -0.797 83.4-128.5 -90.8 120.6 -23.1 98.8 34.3 729 353 B K S > S+ 0 0 97 -2,-0.6 3,-0.7 -238,-0.2 -238,-0.3 -0.243 70.9 11.0 -65.5 155.1 -23.2 98.0 30.5 730 354 B G B 3 S-v 491 0K 0 -240,-2.7 -238,-2.4 1,-0.2 -237,-0.3 -0.414 127.7 -27.2 78.8-154.4 -23.3 94.4 29.4 731 355 B L T 3 S- 0 0 6 2,-0.2 -1,-0.2 -240,-0.2 3,-0.1 0.694 79.8-125.0 -69.5 -22.0 -23.8 91.5 31.8 732 356 B G S < S+ 0 0 14 -3,-0.7 2,-0.4 1,-0.3 -7,-0.2 0.595 77.1 107.0 86.3 9.3 -22.4 93.5 34.7 733 357 B I - 0 0 13 -320,-0.1 2,-0.4 -9,-0.1 -1,-0.3 -0.962 53.3-156.5-122.4 139.2 -19.8 90.8 35.5 734 358 B E - 0 0 109 -2,-0.4 -23,-2.8 -3,-0.1 -22,-0.5 -0.946 16.2-124.3-120.3 136.9 -16.1 91.1 34.8 735 359 B L B -G 710 0O 18 -2,-0.4 2,-0.6 -25,-0.3 -25,-0.3 -0.391 13.6-143.1 -74.6 154.1 -13.6 88.3 34.4 736 360 B D > - 0 0 43 -27,-2.5 4,-2.6 1,-0.1 3,-0.3 -0.958 3.7-158.3-120.7 108.1 -10.5 88.1 36.5 737 361 B E H > S+ 0 0 110 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.816 91.2 56.8 -56.5 -33.7 -7.5 86.8 34.5 738 362 B S H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.929 112.4 40.0 -64.7 -44.8 -5.7 85.7 37.6 739 363 B L H > S+ 0 0 50 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.847 111.1 58.8 -72.3 -33.5 -8.6 83.5 38.8 740 364 B L H < S+ 0 0 7 -4,-2.6 -2,-0.2 -31,-0.2 -1,-0.2 0.922 111.7 41.6 -59.2 -43.9 -9.2 82.3 35.2 741 365 B A H >< S+ 0 0 59 -4,-2.2 3,-1.0 -5,-0.2 -2,-0.2 0.881 111.2 55.9 -71.9 -38.9 -5.6 81.0 35.2 742 366 B K H 3< S+ 0 0 145 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.930 115.1 37.0 -59.9 -46.3 -5.8 79.6 38.7 743 367 B Y T 3< S+ 0 0 33 -4,-2.5 -355,-3.2 -35,-0.1 -1,-0.2 0.269 88.6 133.7 -91.5 12.1 -8.8 77.4 37.9 744 368 B Q B < -S 387 0I 124 -3,-1.0 -357,-0.3 -357,-0.2 -3,-0.1 -0.349 35.0-167.7 -66.1 140.2 -7.7 76.5 34.4 745 369 B V - 0 0 25 -359,-2.3 -359,-0.3 1,-0.1 -2,-0.0 -0.955 26.7-126.6-125.7 145.2 -8.0 72.9 33.3 746 370 B P S S- 0 0 113 0, 0.0 2,-0.3 0, 0.0 -360,-0.1 0.795 82.2 -20.8 -63.1 -29.1 -6.3 71.5 30.1 747 371 B D - 0 0 54 2,-0.1 -319,-0.1 -319,-0.1 -362,-0.0 -0.920 68.3 -92.4-162.9-175.2 -9.6 70.0 28.8 748 372 B L + 0 0 11 -321,-0.4 -321,-0.1 -2,-0.3 -350,-0.1 0.032 68.0 144.3-101.9 26.6 -13.0 68.7 29.7 749 373 B S - 0 0 27 -323,-0.1 2,-0.1 1,-0.1 -2,-0.1 -0.220 49.1-111.1 -66.4 155.3 -12.0 65.1 30.2 750 374 B W 0 0 62 -326,-0.1 -1,-0.1 -324,-0.0 -324,-0.1 -0.434 360.0 360.0 -84.7 160.2 -13.5 62.9 32.9 751 375 B D 0 0 184 -2,-0.1 -1,-0.0 -692,-0.0 -696,-0.0 -0.864 360.0 360.0-121.4 360.0 -11.8 61.6 36.1