==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-MAY-10 3MZN . COMPND 2 MOLECULE: GLUCARATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOHALOBACTER SALEXIGENS; . AUTHOR Y.PATSKOVSKY,R.TORO,M.RUTTER,J.M.SAUDER,J.A.GERLT,S.C.ALMO, . 892 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 564 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 9.0 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 0.2 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 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 267 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 7 1 0 2 2 2 2 0 5 4 3 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 6 0 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 . 12 2 2 0 0 0 2 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 6 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 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 L 0 0 187 0, 0.0 3,-0.1 0, 0.0 571,-0.1 0.000 360.0 360.0 360.0 162.0 35.4 40.4 53.7 2 2 A F - 0 0 29 569,-0.2 117,-0.0 1,-0.1 39,-0.0 -0.435 360.0 -91.7 -69.4 152.0 33.5 37.1 53.2 3 3 A P - 0 0 23 0, 0.0 69,-2.2 0, 0.0 2,-0.2 -0.260 37.5-123.3 -66.7 149.8 29.9 37.5 52.0 4 4 A K B -A 71 0A 79 67,-0.2 37,-2.1 68,-0.1 2,-0.4 -0.623 29.2-100.8 -88.5 153.1 27.0 37.6 54.5 5 5 A I E +B 40 0B 4 65,-2.5 64,-2.4 62,-0.4 35,-0.3 -0.636 41.5 175.4 -70.4 124.2 24.1 35.2 54.6 6 6 A T E + 0 0 77 33,-2.8 2,-0.3 -2,-0.4 34,-0.2 0.632 60.8 26.6-106.0 -22.4 21.2 37.1 52.9 7 7 A K E -B 39 0B 83 32,-1.8 32,-2.4 2,-0.0 2,-0.4 -1.000 53.9-171.0-146.7 143.5 18.6 34.4 52.8 8 8 A M E -B 38 0B 6 -2,-0.3 2,-0.5 30,-0.2 30,-0.2 -0.981 7.3-173.7-135.2 120.4 17.6 31.3 54.7 9 9 A N E -B 37 0B 77 28,-2.8 28,-2.8 -2,-0.4 2,-0.6 -0.975 11.3-157.8-116.4 128.9 14.9 28.8 53.6 10 10 A V E -B 36 0B 28 -2,-0.5 26,-0.2 26,-0.2 -2,-0.0 -0.923 18.8-178.1-102.4 117.3 13.8 25.9 55.7 11 11 A V E -B 35 0B 9 24,-3.4 24,-2.8 -2,-0.6 2,-0.2 -0.850 14.4-160.7-128.3 93.8 12.3 23.3 53.4 12 12 A P E -B 34 0B 13 0, 0.0 2,-0.3 0, 0.0 22,-0.3 -0.517 23.5-177.2 -68.0 144.4 10.8 20.1 54.7 13 13 A V E -B 33 0B 0 20,-3.0 20,-2.4 -2,-0.2 2,-0.3 -0.907 19.5-151.1-140.8 163.1 10.5 17.5 52.0 14 14 A A E +B 32 0B 2 391,-1.5 2,-0.2 -2,-0.3 18,-0.2 -0.997 12.5 179.6-139.7 139.7 9.3 14.0 51.3 15 15 A G E -B 31 0B 6 16,-2.1 16,-1.5 -2,-0.3 2,-0.3 -0.639 35.1 -87.7-120.9-174.3 10.4 11.3 48.9 16 16 A E E +B 30 0B 99 14,-0.2 2,-0.3 -2,-0.2 14,-0.3 -0.749 40.5 179.7-101.3 147.8 9.3 7.7 48.2 17 17 A D - 0 0 2 12,-2.1 351,-0.1 -2,-0.3 2,-0.1 -0.933 25.3-110.6-140.9 159.7 10.6 4.6 50.0 18 18 A G - 0 0 1 -2,-0.3 2,-1.7 142,-0.1 157,-0.1 -0.247 46.6 -86.9 -82.2 178.4 10.0 0.8 49.9 19 19 A F + 0 0 5 132,-0.3 132,-2.6 7,-0.1 2,-0.3 -0.455 61.3 177.2 -85.4 60.4 8.3 -1.3 52.5 20 20 A L B -D 150 0C 0 -2,-1.7 7,-2.7 130,-0.2 2,-0.3 -0.534 16.9-145.3 -74.7 130.8 11.5 -1.8 54.5 21 21 A L E +F 26 0D 1 128,-2.8 128,-0.4 -2,-0.3 2,-0.3 -0.725 29.9 147.1-100.5 144.3 11.1 -3.8 57.7 22 22 A N E > -F 25 0D 1 3,-2.5 3,-1.8 -2,-0.3 183,-0.1 -0.932 63.0 -77.9-158.5-179.2 13.1 -3.3 60.9 23 23 A L T 3 S+ 0 0 1 181,-0.5 410,-0.4 1,-0.3 413,-0.1 0.838 127.1 54.1 -58.1 -34.9 12.7 -3.5 64.7 24 24 A S T 3 S- 0 0 3 1,-0.2 2,-0.4 408,-0.1 -1,-0.3 0.580 120.3-101.5 -76.6 -12.4 10.8 -0.2 64.8 25 25 A G E < -F 22 0D 0 -3,-1.8 -3,-2.5 395,-0.1 2,-0.4 -0.979 60.0 -26.1 135.5-141.8 8.3 -1.5 62.2 26 26 A G E -F 21 0D 0 393,-2.6 396,-0.6 -2,-0.4 397,-0.3 -0.957 61.8-112.1-116.0 135.1 7.7 -0.9 58.5 27 27 A H - 0 0 6 -7,-2.7 4,-0.1 -2,-0.4 392,-0.1 -0.347 33.9-118.1 -59.1 140.7 8.9 2.2 56.6 28 28 A E - 0 0 11 2,-0.3 -8,-0.2 1,-0.1 -1,-0.1 -0.363 27.9-106.8 -69.4 159.0 6.1 4.4 55.3 29 29 A P S S+ 0 0 4 0, 0.0 -12,-2.1 0, 0.0 2,-0.4 0.630 109.1 54.0 -61.3 -16.9 5.9 4.9 51.5 30 30 A W E S-B 16 0B 52 -14,-0.3 2,-0.4 130,-0.1 -2,-0.3 -0.964 71.4-157.6-118.7 136.6 7.2 8.4 52.2 31 31 A F E -B 15 0B 16 -16,-1.5 -16,-2.1 -2,-0.4 2,-0.4 -0.920 17.3-139.2-110.0 147.2 10.4 9.3 54.0 32 32 A I E +B 14 0B 18 -2,-0.4 20,-0.6 -18,-0.2 2,-0.3 -0.852 26.8 162.1-112.8 137.2 10.7 12.8 55.5 33 33 A R E -BC 13 51B 6 -20,-2.4 -20,-3.0 -2,-0.4 2,-0.5 -0.914 29.7-130.5-141.4 166.4 13.7 15.1 55.6 34 34 A C E -BC 12 50B 0 16,-2.9 16,-2.1 -2,-0.3 2,-0.5 -0.996 17.6-160.6-125.2 128.8 14.4 18.8 56.1 35 35 A V E -BC 11 49B 0 -24,-2.8 -24,-3.4 -2,-0.5 2,-0.5 -0.916 2.5-157.3-107.4 130.3 16.5 20.8 53.7 36 36 A L E -BC 10 48B 0 12,-2.6 12,-1.8 -2,-0.5 2,-0.5 -0.936 7.7-168.2-105.2 129.7 18.1 24.1 54.7 37 37 A V E -BC 9 47B 9 -28,-2.8 -28,-2.8 -2,-0.5 2,-0.4 -0.977 4.3-174.9-122.3 119.2 19.1 26.4 51.9 38 38 A L E -BC 8 46B 0 8,-2.8 8,-2.3 -2,-0.5 2,-0.4 -0.893 4.8-164.3-111.3 143.1 21.3 29.4 52.6 39 39 A E E -BC 7 45B 56 -32,-2.4 -33,-2.8 -2,-0.4 -32,-1.8 -0.979 7.2-157.1-125.4 140.0 22.2 32.2 50.1 40 40 A D E > -B 5 0B 1 4,-2.4 3,-2.5 -2,-0.4 -35,-0.2 -0.670 35.9 -94.2-113.5 171.8 25.0 34.7 50.5 41 41 A E T 3 S+ 0 0 105 -37,-2.1 -36,-0.1 1,-0.3 -1,-0.0 0.726 120.5 60.5 -55.0 -27.3 25.8 38.1 49.1 42 42 A S T 3 S- 0 0 71 -38,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.532 119.3-107.9 -80.6 -3.2 27.9 36.7 46.3 43 43 A G S < S+ 0 0 44 -3,-2.5 -2,-0.1 1,-0.3 2,-0.1 0.425 75.6 137.2 89.4 -1.0 24.9 34.8 45.0 44 44 A N - 0 0 55 74,-0.0 -4,-2.4 -5,-0.0 2,-0.4 -0.435 40.2-150.4 -72.3 152.9 26.2 31.4 46.2 45 45 A R E -C 39 0B 71 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.976 8.3-166.3-125.8 141.5 24.0 28.9 47.9 46 46 A G E -C 38 0B 0 -8,-2.3 -8,-2.8 -2,-0.4 2,-0.3 -0.927 10.8-161.3-120.0 149.5 24.8 26.2 50.5 47 47 A V E -C 37 0B 5 -2,-0.3 2,-0.3 66,-0.3 -10,-0.2 -0.915 12.3-174.0-130.6 156.8 22.6 23.4 51.5 48 48 A G E -C 36 0B 0 -12,-1.8 -12,-2.6 -2,-0.3 2,-0.4 -0.980 8.8-158.7-141.2 151.3 22.2 20.9 54.4 49 49 A E E +C 35 0B 0 -2,-0.3 -14,-0.2 -14,-0.2 64,-0.1 -0.997 20.3 154.1-132.1 140.0 19.9 17.9 54.7 50 50 A I E -C 34 0B 0 -16,-2.1 -16,-2.9 -2,-0.4 293,-0.1 -0.925 49.5 -74.8-149.2 170.4 18.7 16.2 57.9 51 51 A P E -C 33 0B 24 0, 0.0 2,-0.3 0, 0.0 -18,-0.2 -0.294 56.7-138.4 -58.0 158.7 15.9 14.1 59.4 52 52 A S + 0 0 11 -20,-0.6 365,-0.4 -19,-0.1 2,-0.3 -0.906 34.6 146.6-128.4 158.8 12.9 16.3 60.1 53 53 A S > - 0 0 18 -2,-0.3 4,-2.6 363,-0.1 5,-0.2 -0.924 60.5 -94.8-167.7 169.6 10.2 16.7 62.8 54 54 A E H > S+ 0 0 112 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.911 126.3 54.8 -61.8 -39.3 8.3 19.7 64.2 55 55 A G H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.924 109.9 46.1 -58.0 -44.8 10.9 20.0 67.0 56 56 A I H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.909 111.5 50.3 -67.6 -42.7 13.6 20.2 64.3 57 57 A L H X S+ 0 0 32 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.898 113.6 46.8 -62.7 -39.3 11.7 22.7 62.2 58 58 A N H X S+ 0 0 110 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.892 109.2 54.3 -68.1 -40.0 11.2 24.9 65.3 59 59 A G H X S+ 0 0 8 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.873 107.8 49.6 -62.6 -40.6 14.8 24.5 66.3 60 60 A L H < S+ 0 0 0 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.894 109.5 52.5 -65.1 -40.0 16.0 25.8 63.0 61 61 A E H >< S+ 0 0 92 -4,-1.7 3,-0.9 1,-0.2 4,-0.3 0.892 106.8 53.3 -62.0 -37.7 13.6 28.8 63.3 62 62 A K H 3< S+ 0 0 102 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.853 110.9 45.7 -66.5 -33.1 15.0 29.6 66.7 63 63 A C T >X S+ 0 0 0 -4,-1.5 3,-1.6 1,-0.2 4,-1.0 0.434 84.2 102.2 -88.2 0.1 18.6 29.7 65.3 64 64 A R H X> S+ 0 0 55 -3,-0.9 4,-2.4 -4,-0.4 3,-0.5 0.833 77.8 51.3 -52.7 -40.3 17.5 31.8 62.3 65 65 A S H 34 S+ 0 0 100 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.533 105.3 56.3 -82.6 -5.3 18.8 35.1 63.7 66 66 A L H <4 S+ 0 0 46 -3,-1.6 -1,-0.2 -4,-0.1 -2,-0.2 0.668 115.4 39.0 -85.2 -21.9 22.2 33.6 64.4 67 67 A V H X< S+ 0 0 0 -4,-1.0 3,-2.4 -3,-0.5 -62,-0.4 0.915 95.8 79.0 -96.6 -55.0 22.5 32.6 60.7 68 68 A E T 3< S+ 0 0 78 -4,-2.4 -62,-0.2 1,-0.3 3,-0.1 -0.335 108.6 15.5 -54.6 129.0 21.0 35.4 58.7 69 69 A G T 3 S+ 0 0 44 -64,-2.4 -1,-0.3 1,-0.3 2,-0.2 0.300 93.8 129.9 85.3 -11.3 23.6 38.1 58.5 70 70 A A < - 0 0 8 -3,-2.4 -65,-2.5 -66,-0.1 -1,-0.3 -0.510 62.7-118.9 -71.7 147.3 26.5 35.9 59.5 71 71 A R B > -A 4 0A 65 -67,-0.3 3,-2.2 -2,-0.2 -67,-0.2 -0.680 23.0-122.5 -84.9 142.4 29.6 36.0 57.3 72 72 A V G > S+ 0 0 0 -69,-2.2 3,-1.2 -2,-0.3 47,-0.2 0.764 108.4 60.4 -65.9 -24.3 30.3 32.6 55.9 73 73 A N G 3 S+ 0 0 25 1,-0.3 3,-0.4 -70,-0.2 -1,-0.3 0.675 92.8 68.7 -75.2 -11.8 33.8 32.4 57.3 74 74 A E G X> + 0 0 65 -3,-2.2 4,-2.5 1,-0.2 3,-0.9 0.261 63.2 121.8 -88.6 13.1 32.3 32.6 60.8 75 75 A V H <> S+ 0 0 1 -3,-1.2 4,-2.5 1,-0.3 5,-0.2 0.854 70.6 51.1 -44.2 -49.6 30.7 29.2 60.5 76 76 A K H 3> S+ 0 0 27 -3,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.888 113.8 46.5 -62.6 -33.6 32.5 27.7 63.6 77 77 A Q H <> S+ 0 0 70 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.920 110.4 51.9 -67.7 -47.7 31.4 30.7 65.6 78 78 A V H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.907 111.0 48.0 -57.4 -44.2 27.8 30.5 64.4 79 79 A L H X S+ 0 0 7 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.886 108.9 53.0 -66.1 -41.7 27.6 26.8 65.3 80 80 A S H X S+ 0 0 33 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.919 112.3 46.0 -58.5 -43.0 29.0 27.4 68.8 81 81 A R H X S+ 0 0 147 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.875 110.7 52.4 -69.6 -37.2 26.4 30.1 69.3 82 82 A A H X S+ 0 0 1 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.904 109.5 50.4 -64.3 -40.2 23.6 27.8 67.9 83 83 A R H X S+ 0 0 88 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.928 109.3 49.6 -60.6 -48.5 24.7 25.1 70.3 84 84 A G H < S+ 0 0 47 -4,-2.0 4,-0.5 1,-0.2 -2,-0.2 0.926 114.0 46.4 -60.4 -44.0 24.6 27.3 73.4 85 85 A L H >< S+ 0 0 39 -4,-2.2 3,-1.8 1,-0.2 4,-0.5 0.961 113.2 47.1 -63.1 -50.3 21.2 28.5 72.4 86 86 A L H >< S+ 0 0 20 -4,-2.8 3,-0.7 1,-0.3 -1,-0.2 0.788 101.2 66.7 -65.5 -26.6 19.8 25.0 71.7 87 87 A A G >< S+ 0 0 72 -4,-2.3 3,-1.4 1,-0.2 -1,-0.3 0.687 85.5 75.9 -63.9 -19.2 21.3 23.8 75.0 88 88 A Q G < S+ 0 0 134 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.923 83.2 62.1 -54.5 -49.2 18.8 26.2 76.7 89 89 A G G < S- 0 0 77 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.507 113.5-119.9 -60.3 -3.2 15.9 23.7 76.0 90 90 A G < - 0 0 26 -3,-1.4 -1,-0.2 -4,-0.1 -2,-0.1 -0.187 47.0 -32.8 87.1 176.8 17.7 21.2 78.2 91 91 A P - 0 0 138 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 -0.319 53.0-155.5 -71.3 152.3 19.1 17.7 77.4 92 92 A E - 0 0 77 -2,-0.0 2,-0.4 3,-0.0 10,-0.1 -0.861 8.6-134.8-121.2 159.3 17.4 15.3 74.9 93 93 A E - 0 0 169 -2,-0.3 8,-0.1 8,-0.1 0, 0.0 -0.906 12.8-133.7-118.8 146.3 17.6 11.5 74.7 94 94 A R - 0 0 17 -2,-0.4 7,-2.0 1,-0.1 3,-0.3 0.876 44.6-152.7 -57.9 -40.9 18.2 9.2 71.8 95 95 A G - 0 0 33 1,-0.2 -1,-0.1 5,-0.1 7,-0.1 -0.345 28.7 -76.4 85.1-174.4 15.3 6.9 72.8 96 96 A R S S+ 0 0 96 -2,-0.1 -1,-0.2 4,-0.0 4,-0.1 0.340 88.4 111.2-107.8 2.4 15.0 3.2 72.1 97 97 A Q S S- 0 0 50 -3,-0.3 4,-0.1 2,-0.3 -74,-0.0 -0.228 83.8-106.8 -73.0 168.1 14.0 3.2 68.4 98 98 A T S S+ 0 0 3 2,-0.1 2,-0.2 136,-0.0 -1,-0.1 0.770 107.8 52.0 -64.1 -24.0 16.2 2.0 65.6 99 99 A F S S- 0 0 26 -5,-0.0 2,-0.4 187,-0.0 -2,-0.3 -0.623 97.5 -94.6-111.0 173.1 16.6 5.7 64.7 100 100 A D - 0 0 15 -2,-0.2 -5,-0.1 1,-0.1 -6,-0.1 -0.733 22.7-170.2-100.3 128.6 17.5 8.8 66.8 101 101 A L + 0 0 88 -7,-2.0 -7,-0.1 -2,-0.4 -8,-0.1 0.386 47.5 118.0 -99.2 2.0 14.8 11.0 68.4 102 102 A R - 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0 0 5 -248,-2.8 7,-0.1 -2,-0.3 -42,-0.0 -0.841 28.6-132.8 -96.1 106.5 44.2 36.5 72.2 836 388 B P - 0 0 27 0, 0.0 -260,-0.2 0, 0.0 -248,-0.0 -0.137 8.0-150.9 -60.1 151.5 44.6 39.0 69.4 837 389 B K + 0 0 138 5,-0.1 3,-0.1 -263,-0.1 5,-0.1 0.303 63.9 108.2-103.5 8.5 41.9 39.4 66.8 838 390 B T S S- 0 0 73 1,-0.1 -269,-0.0 -265,-0.1 5,-0.0 -0.364 82.8 -76.4 -78.5 163.8 44.3 40.4 64.0 839 391 B P S > S- 0 0 61 0, 0.0 3,-1.1 0, 0.0 -270,-0.2 -0.222 91.4 -10.8 -68.4 151.6 45.0 38.0 61.2 840 392 B G B 3 S-z 574 0Q 0 -267,-3.0 -265,-2.0 1,-0.2 -264,-0.3 -0.288 128.8 -22.0 65.8-146.1 47.3 35.0 61.5 841 393 B L T 3 S- 0 0 0 -267,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.668 84.5-126.4 -72.5 -15.1 49.4 34.7 64.7 842 394 B G S < S+ 0 0 27 -3,-1.1 2,-0.3 1,-0.3 -2,-0.1 0.770 71.5 112.2 76.5 24.5 49.1 38.4 65.2 843 395 B I - 0 0 26 -4,-0.2 2,-0.4 -20,-0.0 -1,-0.3 -0.843 57.6-141.6-123.3 164.3 52.9 38.9 65.5 844 396 B E - 0 0 112 -2,-0.3 -21,-2.7 -3,-0.1 -20,-0.3 -0.983 23.4-125.2-130.8 119.7 55.5 40.6 63.3 845 397 B L B -L 822 0X 19 -2,-0.4 2,-0.8 -23,-0.2 -23,-0.3 -0.367 13.8-143.1 -61.0 135.0 59.0 39.0 62.9 846 398 B D > - 0 0 31 -25,-2.7 4,-2.4 1,-0.2 5,-0.2 -0.894 13.1-163.1-100.9 101.4 61.8 41.4 63.9 847 399 B D H > S+ 0 0 68 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.855 85.1 49.6 -56.7 -41.6 64.4 40.4 61.3 848 400 B D H > S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 112.5 48.0 -65.5 -42.0 67.4 42.0 63.0 849 401 B K H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.885 112.2 50.0 -66.2 -37.0 66.5 40.3 66.4 850 402 B L H X S+ 0 0 2 -4,-2.4 4,-2.2 -29,-0.3 -2,-0.2 0.928 110.7 48.1 -66.9 -43.6 66.1 37.0 64.6 851 403 B M H X S+ 0 0 93 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.889 109.8 54.2 -67.0 -35.7 69.4 37.3 62.8 852 404 B E H X S+ 0 0 115 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.923 111.0 45.0 -59.7 -46.8 71.1 38.2 66.2 853 405 B A H X S+ 0 0 7 -4,-2.2 4,-2.1 2,-0.2 -391,-1.4 0.851 112.3 51.6 -65.5 -34.9 69.6 35.1 67.8 854 406 B H H X S+ 0 0 43 -4,-2.2 4,-2.3 -393,-0.2 -2,-0.2 0.895 108.7 51.7 -68.9 -38.5 70.7 33.0 64.8 855 407 B E H X S+ 0 0 87 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.902 107.2 52.7 -64.4 -39.3 74.2 34.4 65.0 856 408 B T H X S+ 0 0 40 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.943 108.8 50.2 -61.0 -46.3 74.3 33.4 68.7 857 409 B Y H >< S+ 0 0 23 -4,-2.1 3,-0.6 1,-0.2 5,-0.2 0.905 109.4 51.5 -55.2 -44.4 73.3 29.9 67.8 858 410 B K H 3< S+ 0 0 128 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.842 107.5 52.7 -64.4 -33.3 76.1 29.8 65.2 859 411 B R H 3< S+ 0 0 156 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.683 94.9 87.7 -75.6 -18.8 78.7 31.0 67.7 860 412 B L S << S- 0 0 40 -4,-1.2 -3,-0.0 -3,-0.6 -398,-0.0 -0.490 73.9-140.1 -80.0 152.4 77.7 28.2 70.2 861 413 B D S S+ 0 0 163 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.184 77.0 75.9 -98.7 18.8 79.3 24.8 70.0 862 414 B V - 0 0 46 -5,-0.2 -2,-0.1 1,-0.1 3,-0.1 -0.893 48.8-172.6-130.7 161.2 76.1 22.9 70.7 863 415 B T S S+ 0 0 40 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.302 70.8 34.8-138.1 2.3 73.0 21.9 68.8 864 416 B Q S S- 0 0 109 -363,-0.2 -1,-0.2 -362,-0.1 -363,-0.1 -0.990 90.3 -79.5-153.7 162.8 70.7 20.4 71.4 865 417 B R + 0 0 55 -365,-0.4 2,-0.3 -2,-0.3 -386,-0.1 -0.357 40.8 174.6 -62.1 132.6 69.7 20.7 75.0 866 418 B N + 0 0 79 -2,-0.1 3,-0.4 -392,-0.1 4,-0.4 -0.852 9.9 175.1-141.5 103.4 72.1 19.1 77.5 867 419 B D S > S+ 0 0 5 -2,-0.3 -393,-2.6 1,-0.2 4,-0.7 0.514 72.0 73.1 -84.8 -6.7 71.3 19.7 81.2 868 420 B A H > S+ 0 0 29 -395,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.800 83.5 69.0 -80.7 -23.1 74.0 17.4 82.5 869 421 B M H >4 S+ 0 0 48 -3,-0.4 3,-0.9 1,-0.2 4,-0.4 0.937 100.9 44.1 -59.9 -49.5 76.8 19.8 81.6 870 422 B A H >> S+ 0 0 0 -396,-0.5 3,-1.3 -4,-0.4 4,-0.6 0.812 103.9 65.7 -69.1 -29.1 75.9 22.5 84.2 871 423 B M H >X S+ 0 0 0 -4,-0.7 4,-3.0 1,-0.2 3,-0.9 0.799 86.3 72.4 -60.6 -26.8 75.4 19.8 86.9 872 424 B Q H << S+ 0 0 71 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.790 92.9 55.4 -60.8 -27.0 79.1 19.0 86.7 873 425 B Y H <4 S+ 0 0 87 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.774 115.3 36.9 -75.4 -29.0 79.8 22.3 88.5 874 426 B L H << S+ 0 0 41 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.832 137.3 13.2 -87.6 -40.0 77.6 21.4 91.4 875 427 B I S >< S- 0 0 62 -4,-3.0 3,-2.3 3,-0.0 -1,-0.3 -0.875 80.5-137.3-140.3 97.3 78.4 17.7 91.6 876 428 B P T 3 S+ 0 0 112 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.397 93.5 19.9 -59.9 133.9 81.4 16.5 89.6 877 429 B G T 3 S+ 0 0 53 1,-0.2 -5,-0.1 -2,-0.1 -6,-0.0 0.497 87.7 168.2 87.4 3.2 80.5 13.3 87.8 878 430 B W < - 0 0 12 -3,-2.3 2,-0.4 -7,-0.2 -1,-0.2 -0.167 12.8-168.9 -49.5 140.6 76.8 13.9 88.2 879 431 B E - 0 0 146 7,-0.1 2,-0.1 -8,-0.1 -406,-0.0 -0.985 25.2-106.0-133.4 147.7 74.6 11.6 86.1 880 432 B F + 0 0 53 -2,-0.4 -408,-0.1 -408,-0.1 -409,-0.1 -0.448 33.6 179.2 -66.8 139.9 70.9 11.7 85.2 881 433 B D > - 0 0 29 -410,-0.4 3,-2.0 3,-0.4 -2,-0.0 -0.899 21.4-153.5-142.2 113.3 68.6 9.3 87.0 882 434 B P T 3 S+ 0 0 26 0, 0.0 4,-0.1 0, 0.0 -411,-0.0 0.664 96.7 50.2 -65.5 -12.0 64.9 9.5 86.2 883 435 B K T 3 S+ 0 0 29 1,-0.1 -198,-0.1 8,-0.1 -201,-0.1 0.149 102.8 64.7-110.9 25.0 64.1 8.0 89.6 884 436 B R S < S- 0 0 21 -3,-2.0 -3,-0.4 -413,-0.1 -1,-0.1 -0.946 86.7-112.5-147.7 118.6 66.2 10.3 91.8 885 437 B P > - 0 0 13 0, 0.0 3,-1.7 0, 0.0 -231,-0.3 -0.198 40.8-109.8 -48.9 141.7 65.8 14.1 92.3 886 438 B A T 3 S+ 0 0 2 -233,-2.6 -232,-0.2 1,-0.3 -231,-0.1 0.765 111.5 34.3 -52.8 -37.7 68.8 15.8 90.8 887 439 B L T 3 S+ 0 0 44 -233,-2.4 2,-0.4 2,-0.1 -1,-0.3 0.439 89.5 110.3-101.9 2.0 70.5 17.0 93.9 888 440 B V < - 0 0 22 -3,-1.7 2,-0.2 -234,-0.3 -233,-0.0 -0.614 67.3-127.5 -82.1 130.8 69.6 14.1 96.3 889 441 B E - 0 0 185 -2,-0.4 2,-0.2 2,-0.0 -2,-0.1 -0.536 68.2 -5.6 -78.9 142.3 72.6 11.9 97.2 890 442 B G + 0 0 32 -2,-0.2 -2,-0.1 1,-0.1 0, 0.0 -0.534 59.9 133.0 84.9-143.4 72.4 8.1 96.6 891 443 B H + 0 0 124 -2,-0.2 2,-0.2 1,-0.2 -1,-0.1 0.842 34.1 168.0 55.2 38.2 69.2 6.3 95.5 892 444 B H 0 0 161 1,-0.1 -1,-0.2 -8,-0.0 -11,-0.0 -0.523 360.0 360.0 -71.8 150.1 71.1 4.3 92.9 893 445 B H 0 0 144 -2,-0.2 -1,-0.1 0, 0.0 -10,-0.0 -0.716 360.0 360.0-115.3 360.0 68.9 1.5 91.7