==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 01-FEB-13 4J1O . COMPND 2 MOLECULE: MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME, N . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,S.R.WASSERMAN,L.L.MORISCO,S.SOJI . 740 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 512 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 9.5 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 44 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 28.4 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 3 0 0 2 0 3 3 4 0 2 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 2 4 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 . 0 2 6 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 . 2 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 69 0, 0.0 2,-0.3 0, 0.0 80,-0.2 0.000 360.0 360.0 360.0 152.5 39.0 24.8 16.4 2 2 A K - 0 0 103 77,-0.2 38,-2.0 78,-0.1 2,-0.4 -0.993 360.0-107.6-142.4 146.1 35.9 22.7 16.0 3 3 A I E +A 39 0A 2 75,-2.4 74,-2.4 -2,-0.3 36,-0.2 -0.597 35.7 171.5 -67.5 121.8 33.3 20.8 18.0 4 4 A A E + 0 0 21 34,-2.9 2,-0.3 -2,-0.4 35,-0.2 0.768 62.1 14.5 -99.2 -37.9 33.9 17.1 17.7 5 5 A E E -A 38 0A 72 33,-2.0 33,-2.5 2,-0.0 2,-0.4 -0.984 52.5-162.8-140.7 148.5 31.4 15.7 20.3 6 6 A I E -AB 37 368A 0 362,-2.4 362,-2.5 -2,-0.3 2,-0.4 -0.992 13.1-170.1-131.0 127.3 28.4 16.8 22.3 7 7 A H E -AB 36 367A 28 29,-2.7 29,-2.6 -2,-0.4 2,-0.4 -0.967 6.4-157.3-121.1 132.8 27.3 14.7 25.4 8 8 A V E -AB 35 366A 2 358,-3.0 357,-2.4 -2,-0.4 358,-1.5 -0.924 11.8-167.6-111.6 130.9 24.1 15.2 27.3 9 9 A Y E -A 34 0A 1 25,-3.0 25,-1.8 -2,-0.4 2,-0.4 -0.891 12.8-150.0-120.2 147.8 23.7 14.1 30.9 10 10 A A E +A 33 0A 22 353,-0.3 2,-0.3 -2,-0.3 23,-0.2 -0.965 24.8 168.5-115.3 135.0 20.7 13.7 33.2 11 11 A H E -A 32 0A 24 21,-2.1 21,-2.8 -2,-0.4 2,-0.3 -0.999 26.7-128.4-150.9 137.6 21.3 14.1 37.0 12 12 A D E -A 31 0A 95 -2,-0.3 19,-0.2 19,-0.2 -2,-0.0 -0.684 12.6-167.6 -93.9 143.9 19.0 14.5 40.1 13 13 A L E -A 30 0A 5 17,-3.1 17,-1.9 -2,-0.3 284,-0.1 -0.777 11.4-155.3-128.8 89.2 19.2 17.2 42.7 14 14 A P E -A 29 0A 86 0, 0.0 2,-0.6 0, 0.0 314,-0.5 -0.371 25.3-115.8 -61.4 137.8 17.2 16.5 45.9 15 15 A V > - 0 0 13 13,-2.5 3,-1.6 312,-0.1 312,-0.2 -0.675 27.6-124.5 -79.2 115.8 16.2 19.7 47.7 16 16 A K T 3 S- 0 0 102 310,-2.0 -1,-0.1 -2,-0.6 311,-0.0 -0.413 93.0 -4.2 -60.4 127.5 17.8 19.7 51.2 17 17 A D T 3 S- 0 0 168 -2,-0.1 -1,-0.3 1,-0.1 309,-0.0 0.868 120.2-140.4 52.4 42.9 15.1 20.1 53.8 18 18 A G < + 0 0 37 -3,-1.6 10,-0.1 10,-0.2 2,-0.1 -0.007 66.3 72.5 -71.4 178.3 12.5 20.5 51.0 19 19 A P - 0 0 52 0, 0.0 2,-0.6 0, 0.0 9,-0.2 0.566 47.9-153.3 -88.2 172.6 10.3 21.4 49.5 20 20 A Y E -D 27 0B 9 7,-2.5 7,-2.4 -2,-0.1 2,-0.7 -0.935 18.2-150.6-102.0 122.2 11.0 24.8 48.1 21 21 A T E +D 26 0B 41 -2,-0.6 119,-2.5 5,-0.2 2,-0.3 -0.839 22.0 170.5-108.9 108.9 7.7 26.7 47.5 22 22 A I E > -D 25 0B 2 3,-2.7 3,-0.9 -2,-0.7 144,-0.1 -0.812 45.5-115.7-104.0 150.1 7.3 29.3 44.8 23 23 A A T 3 S+ 0 0 33 142,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.783 118.8 35.7 -57.8 -25.2 3.8 30.6 44.1 24 24 A S T 3 S+ 0 0 23 1,-0.3 2,-0.3 32,-0.0 -1,-0.3 0.497 128.4 25.9-104.9 -8.2 4.1 29.1 40.6 25 25 A S E < -D 22 0B 5 -3,-0.9 -3,-2.7 31,-0.1 2,-0.5 -0.877 53.1-164.0-162.9 122.4 6.1 25.9 41.5 26 26 A T E -D 21 0B 62 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.951 23.7-169.2-106.8 124.0 6.7 23.7 44.5 27 27 A V E +D 20 0B 7 -7,-2.4 -7,-2.5 -2,-0.5 3,-0.1 -0.944 30.0 169.2-125.2 136.0 9.7 21.4 44.2 28 28 A W S S+ 0 0 169 1,-0.4 -13,-2.5 -2,-0.4 2,-0.3 0.684 81.6 7.7-106.1 -33.3 11.1 18.4 46.2 29 29 A S E -A 14 0A 64 -15,-0.3 -1,-0.4 -11,-0.0 2,-0.4 -0.988 69.6-140.1-149.0 151.1 13.8 17.3 43.7 30 30 A L E -A 13 0A 3 -17,-1.9 -17,-3.1 -2,-0.3 2,-0.8 -0.932 5.3-144.5-120.9 136.8 15.2 18.8 40.5 31 31 A Q E -A 12 0A 51 -2,-0.4 -19,-0.2 20,-0.3 2,-0.2 -0.852 25.1-166.4 -96.9 106.9 16.3 17.1 37.3 32 32 A T E -A 11 0A 0 -21,-2.8 -21,-2.1 -2,-0.8 2,-0.5 -0.590 10.3-146.6 -93.4 156.0 19.3 18.9 35.9 33 33 A T E -AC 10 49A 0 16,-1.8 16,-2.2 -2,-0.2 2,-0.3 -0.989 13.2-165.6-123.2 121.9 20.8 18.5 32.4 34 34 A L E -AC 9 48A 0 -25,-1.8 -25,-3.0 -2,-0.5 2,-0.4 -0.828 2.0-159.3-106.5 148.3 24.5 18.8 31.8 35 35 A V E -AC 8 47A 0 12,-2.4 12,-2.6 -2,-0.3 2,-0.5 -0.995 3.3-165.9-127.6 130.6 26.2 19.3 28.5 36 36 A K E -AC 7 46A 44 -29,-2.6 -29,-2.7 -2,-0.4 2,-0.5 -0.975 5.0-164.4-113.5 122.0 29.9 18.5 27.6 37 37 A I E -AC 6 45A 0 8,-2.8 8,-2.4 -2,-0.5 2,-0.5 -0.916 7.1-162.4-101.8 128.8 31.3 19.9 24.4 38 38 A V E -AC 5 44A 15 -33,-2.5 -34,-2.9 -2,-0.5 -33,-2.0 -0.964 7.7-144.1-115.0 126.8 34.5 18.2 23.3 39 39 A A E > -A 3 0A 2 4,-3.2 3,-1.8 -2,-0.5 -36,-0.2 -0.329 32.4-101.8 -78.3 165.9 36.8 19.9 20.7 40 40 A D T 3 S+ 0 0 95 -38,-2.0 -37,-0.1 1,-0.3 -1,-0.1 0.839 124.7 57.7 -51.5 -35.4 38.8 18.1 18.0 41 41 A S T 3 S- 0 0 89 -39,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.627 120.6-109.1 -74.2 -14.7 41.8 18.6 20.3 42 42 A G S < S+ 0 0 51 -3,-1.8 -2,-0.1 1,-0.4 2,-0.1 0.206 74.0 138.3 102.4 -14.5 40.2 16.8 23.2 43 43 A L - 0 0 54 -5,-0.1 -4,-3.2 1,-0.0 -1,-0.4 -0.401 38.9-153.0 -64.3 139.6 39.6 20.0 25.2 44 44 A A E -C 38 0A 14 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.902 16.0-166.1-123.2 146.5 36.2 20.1 26.9 45 45 A G E -C 37 0A 0 -8,-2.4 -8,-2.8 -2,-0.3 2,-0.4 -0.953 15.0-142.7-124.4 150.9 33.7 22.7 28.1 46 46 A W E +C 36 0A 12 -2,-0.3 2,-0.3 60,-0.2 -10,-0.2 -0.916 16.9 176.4-118.9 140.5 30.7 22.2 30.3 47 47 A G E -C 35 0A 0 -12,-2.6 -12,-2.4 -2,-0.4 2,-0.3 -0.841 7.3-164.3-130.5 169.1 27.2 23.7 30.4 48 48 A E E -C 34 0A 0 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.992 11.0-176.6-155.2 143.3 24.1 23.2 32.5 49 49 A T E +C 33 0A 1 -16,-2.2 -16,-1.8 -2,-0.3 248,-0.1 -0.963 7.5 172.3-144.0 129.5 20.3 24.0 32.5 50 50 A C - 0 0 1 246,-0.4 246,-0.1 -2,-0.3 -18,-0.1 -0.745 18.9-151.6-141.3 89.4 17.9 23.1 35.4 51 51 A P - 0 0 10 0, 0.0 2,-1.5 0, 0.0 -20,-0.3 -0.276 25.4-121.5 -56.0 145.5 14.3 24.4 35.3 52 52 A V S S- 0 0 1 1,-0.2 3,-0.2 -22,-0.1 4,-0.2 -0.530 79.5 -40.0 -93.0 70.3 12.9 24.8 38.8 53 53 A G S > S- 0 0 11 -2,-1.5 3,-0.7 1,-0.1 4,-0.4 -0.002 75.6 -88.2 84.4 158.9 9.9 22.5 38.3 54 54 A P T 3 S+ 0 0 96 0, 0.0 5,-0.3 0, 0.0 -1,-0.1 0.490 120.5 55.1 -83.7 -0.9 8.0 22.3 35.0 55 55 A T T 3 S+ 0 0 86 -3,-0.2 -2,-0.1 1,-0.1 5,-0.1 0.442 86.0 76.0-109.8 -3.2 5.5 25.0 36.0 56 56 A Y S < S- 0 0 4 -3,-0.7 -1,-0.1 1,-0.2 -31,-0.1 0.915 112.5 -7.1 -73.0 -41.8 7.7 28.0 36.9 57 57 A A S S- 0 0 29 -4,-0.4 2,-2.8 2,-0.4 -1,-0.2 -0.892 90.6 -79.5-148.3 166.4 8.6 28.9 33.3 58 58 A P S S+ 0 0 116 0, 0.0 2,-0.3 0, 0.0 39,-0.1 -0.378 100.9 87.1 -76.6 70.0 7.9 27.4 29.8 59 59 A S + 0 0 16 -2,-2.8 -2,-0.4 -5,-0.3 2,-0.3 -0.975 47.7 174.3-163.2 150.6 10.8 24.9 30.3 60 60 A H > - 0 0 83 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.978 43.1-103.4-161.8 159.1 11.3 21.4 31.7 61 61 A A H > S+ 0 0 18 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.906 120.6 47.1 -57.9 -47.4 14.0 18.8 32.0 62 62 A L H > S+ 0 0 123 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.866 113.5 52.0 -62.0 -33.5 12.6 16.5 29.3 63 63 A G H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.860 105.4 53.2 -70.6 -38.2 12.2 19.6 27.2 64 64 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.941 111.6 46.2 -59.6 -46.4 15.8 20.6 27.7 65 65 A R H X S+ 0 0 47 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.864 112.0 50.6 -68.5 -34.7 17.0 17.2 26.6 66 66 A A H X S+ 0 0 63 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.904 111.0 48.8 -67.5 -40.7 14.7 17.2 23.6 67 67 A A H X S+ 0 0 5 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.915 112.0 48.3 -66.0 -42.0 15.9 20.6 22.5 68 68 A L H X S+ 0 0 3 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.877 109.7 53.2 -64.6 -39.2 19.6 19.6 22.8 69 69 A A H < S+ 0 0 43 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.866 109.8 49.2 -62.0 -38.2 18.9 16.4 20.8 70 70 A E H < S+ 0 0 124 -4,-1.9 4,-0.4 1,-0.1 -2,-0.2 0.920 120.2 34.9 -65.2 -44.5 17.4 18.5 18.1 71 71 A M H >< S+ 0 0 1 -4,-2.1 3,-1.0 1,-0.1 4,-0.4 0.837 98.7 77.4 -82.1 -36.2 20.3 20.9 17.9 72 72 A A G >X S+ 0 0 2 -4,-2.9 3,-1.9 1,-0.3 4,-0.9 0.838 90.3 52.1 -51.8 -47.3 23.4 18.8 18.6 73 73 A P G >4 S+ 0 0 77 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.874 109.6 52.5 -57.8 -33.9 23.8 17.1 15.2 74 74 A G G <4 S+ 0 0 24 -3,-1.0 -2,-0.2 -4,-0.4 -3,-0.1 0.471 105.5 55.6 -79.6 -2.6 23.7 20.5 13.5 75 75 A L G X4 S+ 0 0 0 -3,-1.9 3,-2.2 -4,-0.4 -72,-0.3 0.550 74.4 113.0-106.2 -13.5 26.4 21.8 15.8 76 76 A I T << S+ 0 0 39 -4,-0.9 -72,-0.2 -3,-0.6 3,-0.1 -0.441 85.3 22.0 -60.5 126.6 29.1 19.2 15.1 77 77 A G T 3 S+ 0 0 28 -74,-2.4 -1,-0.3 1,-0.3 -73,-0.1 0.272 93.3 133.3 97.4 -10.7 31.9 21.0 13.3 78 78 A A < - 0 0 3 -3,-2.2 -75,-2.4 -76,-0.1 -1,-0.3 -0.314 65.2-107.8 -70.7 155.7 31.0 24.5 14.6 79 79 A N > - 0 0 49 -77,-0.2 3,-1.1 1,-0.1 -77,-0.2 -0.756 26.2-166.0 -85.3 110.6 33.6 26.9 15.9 80 80 A P T 3 S+ 0 0 0 0, 0.0 32,-0.3 0, 0.0 -1,-0.1 0.507 79.5 73.3 -78.4 1.0 33.0 27.1 19.7 81 81 A L T 3 S+ 0 0 13 -80,-0.2 414,-0.2 1,-0.2 -2,-0.0 0.282 85.8 68.7 -94.8 9.2 35.2 30.2 20.0 82 82 A Q <> + 0 0 25 -3,-1.1 4,-2.9 1,-0.1 5,-0.2 -0.757 60.0 179.5-129.1 82.6 32.6 32.4 18.4 83 83 A P H > S+ 0 0 9 0, 0.0 4,-1.7 0, 0.0 413,-0.1 0.799 80.9 45.9 -63.8 -31.9 29.7 32.7 20.8 84 84 A L H > S+ 0 0 0 411,-1.7 4,-2.2 2,-0.2 412,-0.2 0.904 114.6 46.9 -75.5 -43.0 27.5 35.0 18.6 85 85 A V H > S+ 0 0 38 410,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.910 113.1 51.8 -60.5 -40.1 28.1 33.0 15.5 86 86 A L H X S+ 0 0 4 -4,-2.9 4,-2.2 409,-0.3 -2,-0.2 0.897 107.1 52.1 -64.8 -40.3 27.3 29.9 17.5 87 87 A R H X S+ 0 0 28 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.918 109.1 49.6 -62.3 -44.0 24.1 31.4 18.8 88 88 A R H X S+ 0 0 37 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.871 108.3 53.9 -61.9 -36.4 22.9 32.2 15.3 89 89 A R H < S+ 0 0 106 -4,-1.9 4,-0.3 2,-0.2 3,-0.2 0.928 109.0 48.6 -64.9 -41.7 23.7 28.6 14.2 90 90 A M H >X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 3,-1.7 0.904 107.9 54.1 -62.1 -41.3 21.5 27.4 17.1 91 91 A D H 3< S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.806 103.8 57.5 -62.2 -28.9 18.7 29.7 16.0 92 92 A G T 3< S+ 0 0 70 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.560 112.9 39.6 -77.6 -8.1 19.0 28.2 12.5 93 93 A L T <4 S+ 0 0 61 -3,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.644 127.7 13.4-111.4 -26.8 18.3 24.7 14.0 94 94 A L < - 0 0 32 -4,-1.9 -1,-0.3 2,-0.1 2,-0.3 -0.935 67.6-132.1-157.7 127.7 15.6 25.5 16.6 95 95 A C S S- 0 0 110 -2,-0.3 2,-0.1 -3,-0.1 -4,-0.1 -0.634 74.5 -20.0 -80.6 136.6 13.4 28.5 17.3 96 96 A G S S+ 0 0 35 -2,-0.3 5,-0.2 1,-0.1 -2,-0.1 -0.357 73.7 125.9 72.3-144.8 13.2 29.7 20.9 97 97 A H >> + 0 0 87 -39,-0.1 4,-2.1 1,-0.1 3,-1.4 0.870 27.9 168.4 55.9 42.2 14.2 27.3 23.7 98 98 A N H 3> + 0 0 43 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.837 69.1 65.0 -50.6 -38.2 16.7 29.7 25.2 99 99 A Y H 34 S+ 0 0 22 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.797 108.9 38.7 -62.5 -27.1 17.0 27.5 28.3 100 100 A A H X> S+ 0 0 0 -3,-1.4 4,-1.0 2,-0.2 3,-0.9 0.878 113.3 53.8 -86.2 -45.0 18.6 24.7 26.2 101 101 A K H 3X S+ 0 0 5 -4,-2.1 4,-2.5 1,-0.2 3,-0.4 0.855 100.9 64.1 -53.4 -36.8 20.6 27.0 24.0 102 102 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.7 166,-0.3 171,-0.3 0.847 95.7 56.5 -59.3 -35.6 22.1 28.5 27.1 103 103 A A H <> S+ 0 0 0 -3,-0.9 4,-1.9 -4,-0.4 -1,-0.2 0.868 110.2 44.5 -65.7 -37.6 23.7 25.2 28.1 104 104 A I H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.4 -2,-0.2 0.929 112.6 52.0 -69.0 -46.5 25.6 25.1 24.8 105 105 A D H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.917 111.6 47.3 -52.4 -47.0 26.5 28.8 25.1 106 106 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -60,-0.2 0.917 110.2 51.0 -67.4 -43.2 27.9 28.2 28.6 107 107 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.880 110.0 51.4 -60.8 -39.2 29.9 25.1 27.5 108 108 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.919 109.3 48.4 -66.3 -43.9 31.4 27.1 24.6 109 109 A Y H X S+ 0 0 14 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.892 110.9 52.1 -60.1 -39.7 32.5 30.0 26.9 110 110 A D H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.956 112.2 45.5 -59.6 -49.2 34.1 27.4 29.3 111 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.911 111.8 51.9 -60.1 -46.3 36.0 25.9 26.4 112 112 A M H X S+ 0 0 8 -4,-2.8 4,-2.6 -32,-0.3 5,-0.3 0.932 109.9 49.3 -54.4 -50.7 37.0 29.4 25.1 113 113 A G H X>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 4,-1.7 0.899 111.8 47.7 -59.8 -43.1 38.4 30.3 28.5 114 114 A K H <5S+ 0 0 60 -4,-2.3 -1,-0.2 236,-0.2 -2,-0.2 0.900 112.4 50.5 -64.7 -39.4 40.3 27.1 28.8 115 115 A H H <5S+ 0 0 92 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.915 119.4 34.4 -65.6 -44.6 41.8 27.5 25.3 116 116 A Y H <5S- 0 0 40 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.630 108.5-119.0 -86.3 -14.7 42.9 31.1 25.8 117 117 A G T <5S+ 0 0 56 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.868 71.6 125.8 77.5 40.5 43.9 30.7 29.5 118 118 A V < - 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0 0 46 -2,-0.2 3,-2.2 1,-0.1 4,-0.6 -0.426 36.7-127.6 -56.8 126.1 24.3 39.6 10.8 684 314 B P G >4 S+ 0 0 81 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.854 105.3 57.7 -52.8 -39.1 24.7 39.9 7.1 685 315 B R G 34 S+ 0 0 172 1,-0.3 -2,-0.1 3,-0.0 -3,-0.0 0.670 111.9 43.4 -65.3 -16.4 21.1 40.8 6.4 686 316 B L G <4 S+ 0 0 6 -3,-2.2 -26,-2.3 -27,-0.1 2,-0.9 0.423 85.9 110.3-103.9 -2.0 21.4 43.8 8.8 687 317 B N E << +b 660 0J 10 -3,-1.4 -26,-0.2 -4,-0.6 3,-0.1 -0.643 37.1 177.7 -86.6 104.8 24.7 45.0 7.6 688 318 B E E - 0 0 14 -28,-2.5 -27,-0.3 -2,-0.9 -1,-0.2 0.463 57.3 -94.7 -83.2 -1.5 24.3 48.3 5.8 689 319 B G E -b 661 0J 0 -29,-0.5 -27,-2.1 -10,-0.1 2,-0.5 -0.340 26.9 -87.1 119.5 167.2 28.1 48.5 5.4 690 320 B V - 0 0 0 -187,-1.9 2,-0.4 -29,-0.2 -185,-0.4 -0.976 36.7-154.5-115.3 115.5 31.4 49.8 6.8 691 321 B W + 0 0 8 -2,-0.5 -27,-0.5 -29,-0.2 2,-0.3 -0.775 17.3 177.9 -90.1 134.4 32.4 53.3 5.6 692 322 B V - 0 0 6 -2,-0.4 -24,-0.1 -187,-0.3 -187,-0.1 -0.965 35.6-134.9-135.2 152.5 36.1 54.1 5.6 693 323 B A S > S+ 0 0 1 -26,-0.6 3,-2.7 -2,-0.3 4,-0.3 0.460 72.2 113.1 -83.3 -2.0 38.0 57.2 4.5 694 324 B Q G > + 0 0 59 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.779 68.2 59.1 -42.6 -43.4 40.7 55.1 2.7 695 325 B P G 3 S+ 0 0 46 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.719 110.0 45.1 -62.2 -18.1 39.8 56.4 -0.8 696 326 B Y G < S+ 0 0 22 -3,-2.7 -310,-1.6 -311,-0.1 2,-0.5 0.288 97.0 89.1-105.5 7.1 40.5 59.9 0.3 697 327 B I < - 0 0 19 -3,-1.8 -312,-0.1 -4,-0.3 -314,-0.0 -0.929 55.2-164.1-116.0 124.2 43.8 59.1 2.1 698 328 B A S S+ 0 0 76 -2,-0.5 -1,-0.1 -314,-0.5 -315,-0.0 0.894 75.3 42.9 -71.6 -42.6 47.1 59.2 0.3 699 329 B Q S S- 0 0 86 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.913 71.2-150.2-118.9 111.8 49.4 57.3 2.7 700 330 B P - 0 0 48 0, 0.0 3,-0.2 0, 0.0 27,-0.1 -0.405 15.4-136.7 -72.3 153.4 48.3 54.1 4.5 701 331 B Y S S+ 0 0 4 1,-0.3 26,-2.3 -2,-0.1 2,-0.4 0.790 99.0 33.2 -75.9 -28.7 49.8 53.3 8.0 702 332 B D > - 0 0 7 24,-0.2 4,-1.7 1,-0.1 -1,-0.3 -0.927 63.3-175.6-133.6 103.6 50.3 49.7 7.0 703 333 B E T 4 S+ 0 0 146 -2,-0.4 -1,-0.1 -3,-0.2 -2,-0.0 0.631 85.5 47.6 -78.2 -11.3 51.1 49.0 3.3 704 334 B E T 4 S+ 0 0 173 21,-0.2 -1,-0.2 1,-0.0 20,-0.0 0.834 132.5 8.0 -92.6 -40.4 51.0 45.2 3.8 705 335 B N T 4 S+ 0 0 76 20,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.331 88.4 136.6-126.5 3.9 47.7 44.7 5.7 706 336 B G < - 0 0 17 -4,-1.7 2,-0.2 1,-0.1 -36,-0.0 -0.103 64.3 -89.2 -61.5 156.4 46.0 48.1 5.8 707 337 B I + 0 0 4 -38,-0.1 2,-0.4 7,-0.1 -1,-0.1 -0.457 52.4 173.1 -69.9 127.5 42.3 48.4 5.1 708 338 B R - 0 0 178 7,-0.3 7,-0.6 -2,-0.2 2,-0.4 -0.996 31.5-125.6-136.5 142.2 41.4 48.9 1.4 709 339 B I E +U 714 0I 33 -2,-0.4 2,-0.4 5,-0.1 5,-0.2 -0.725 30.5 178.1 -82.7 131.4 38.1 49.0 -0.5 710 340 B A E > -U 713 0I 60 3,-2.8 3,-1.2 -2,-0.4 -2,-0.0 -0.971 69.8 -11.5-135.2 122.1 38.0 46.5 -3.3 711 341 B G T 3 S- 0 0 46 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.854 126.6 -58.1 58.5 35.7 34.9 46.1 -5.5 712 342 B G T 3 S+ 0 0 0 1,-0.3 -208,-2.1 -184,-0.1 2,-0.3 0.628 123.0 90.3 71.4 13.7 32.8 48.2 -3.0 713 343 B H E < -TU 503 710I 60 -3,-1.2 -3,-2.8 -210,-0.2 2,-0.4 -0.819 69.0-128.8-131.9 169.8 33.6 45.8 -0.2 714 344 B I E -TU 502 709I 0 -212,-2.9 -212,-2.8 -2,-0.3 2,-0.4 -0.984 11.8-142.1-128.5 124.7 36.3 45.4 2.5 715 345 B D E -T 501 0I 77 -7,-0.6 -7,-0.3 -2,-0.4 -214,-0.2 -0.682 28.0-121.3 -80.1 127.8 38.3 42.3 3.3 716 346 B L - 0 0 1 -216,-3.0 7,-0.1 -2,-0.4 -1,-0.1 -0.474 31.9-104.8 -67.2 137.2 38.9 41.8 7.0 717 347 B P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 -0.301 25.2-145.1 -60.0 153.1 42.6 41.6 8.0 718 348 B K + 0 0 108 5,-0.2 5,-0.1 -3,-0.1 -229,-0.1 0.610 64.1 88.3-100.5 -14.3 43.7 38.1 8.8 719 349 B G S S- 0 0 28 4,-0.2 5,-0.1 1,-0.2 -235,-0.0 -0.197 85.5 -76.0 -84.8 175.0 46.2 38.6 11.6 720 350 B P S > S+ 0 0 73 0, 0.0 3,-1.5 0, 0.0 -231,-0.3 -0.200 99.1 5.7 -68.3 160.3 45.8 38.8 15.4 721 351 B G B 3 S-s 489 0H 0 -233,-2.6 -231,-2.2 1,-0.3 -230,-0.3 -0.441 139.3 -22.9 66.7-140.7 44.4 41.9 17.1 722 352 B L T 3 S- 0 0 0 2,-0.2 -1,-0.3 -233,-0.2 -3,-0.1 0.637 87.1-122.6 -72.7 -15.8 43.2 44.5 14.6 723 353 B G S < S+ 0 0 9 -3,-1.5 2,-0.4 1,-0.3 -4,-0.2 0.640 74.4 120.4 81.1 16.6 45.5 42.9 12.0 724 354 B I - 0 0 5 -4,-0.2 -1,-0.3 -7,-0.1 -2,-0.2 -0.941 43.3-173.0-120.3 131.9 47.3 46.2 11.5 725 355 B T - 0 0 98 -2,-0.4 -21,-0.2 -3,-0.1 -20,-0.1 -0.888 23.1-152.3-120.5 95.9 50.9 47.0 12.1 726 356 B P - 0 0 8 0, 0.0 2,-1.6 0, 0.0 -24,-0.2 -0.413 21.1-121.0 -74.4 145.7 51.3 50.8 11.7 727 357 B D > - 0 0 86 -26,-2.3 3,-1.6 1,-0.2 4,-0.3 -0.702 32.7-168.6 -76.0 89.9 54.6 52.3 10.5 728 358 B E G > S+ 0 0 80 -2,-1.6 3,-1.4 1,-0.3 4,-0.4 0.688 75.5 74.6 -65.3 -17.6 54.7 54.4 13.7 729 359 B S G > S+ 0 0 89 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.887 85.6 66.2 -57.4 -38.8 57.6 56.5 12.3 730 360 B L G < S+ 0 0 55 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.729 93.1 61.9 -50.8 -26.9 54.9 58.2 10.1 731 361 B F G < S- 0 0 6 -3,-1.4 -351,-0.3 -4,-0.3 -1,-0.2 0.643 97.5-135.5 -85.0 -16.3 53.3 59.7 13.2 732 362 B G < - 0 0 36 -3,-1.5 -1,-0.2 -4,-0.4 3,-0.1 -0.204 50.3 -36.3 82.4 177.3 56.2 61.9 14.5 733 363 B P S S- 0 0 112 0, 0.0 -353,-0.4 0, 0.0 -4,-0.0 -0.373 81.1 -88.8 -66.6 155.2 57.2 62.0 18.1 734 364 B P - 0 0 45 0, 0.0 -355,-0.3 0, 0.0 3,-0.2 -0.311 22.2-143.4 -58.5 145.9 54.2 61.8 20.6 735 365 B V S S+ 0 0 87 -357,-2.4 2,-0.3 1,-0.3 -356,-0.2 0.700 91.3 13.7 -81.0 -19.9 52.7 65.1 21.5 736 366 B A E -P 378 0F 27 -358,-1.4 -358,-3.0 2,-0.0 2,-0.4 -0.961 67.5-171.5-154.7 137.1 52.2 63.6 25.0 737 367 B S E -P 377 0F 68 -2,-0.3 2,-0.4 -360,-0.2 -360,-0.2 -0.979 6.6-166.4-130.2 144.8 53.6 60.5 26.7 738 368 B F E P 376 0F 39 -362,-2.4 -362,-2.1 -2,-0.4 -2,-0.0 -0.989 360.0 360.0-135.5 136.8 52.6 59.0 30.1 739 369 B S 0 0 137 -2,-0.4 -1,-0.1 -364,-0.2 -362,-0.0 0.253 360.0 360.0-152.2 360.0 54.2 56.4 32.4 740 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 741 412 A X 0 0 0 0, 0.0 -498,-0.2 0, 0.0 -446,-0.1 0.000 360.0 360.0 360.0 360.0 13.8 32.9 41.4 742 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 743 407 B X 0 0 0 0, 0.0 -177,-0.1 0, 0.0 -78,-0.1 0.000 360.0 360.0 360.0 360.0 29.1 60.2 7.6