==== 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 ISOMERASE 25-MAY-10 3N6H . COMPND 2 MOLECULE: MANDELATE RACEMASE/MUCONATE LACTONIZING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOBACILLUS SUCCINOGENES; . AUTHOR V.N.MALASHKEVICH,Y.PATSKOVSKY,R.TORO,J.M.SAUDER,S.K.BURLEY,S . 1711 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60127.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1123 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 173 10.1 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 1 0.1 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 . 90 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 173 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 505 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 11 2 0 3 4 3 6 2 7 6 4 4 0 0 0 1 0 2 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 14 10 6 0 4 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 . 23 9 4 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 13 2 0 4 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 7 A S 0 0 134 0, 0.0 544,-0.1 0, 0.0 543,-0.0 0.000 360.0 360.0 360.0 152.8 34.8 24.4 -10.2 2 8 A V - 0 0 23 542,-0.1 542,-0.0 1,-0.1 541,-0.0 -0.677 360.0-100.8 -93.5 138.4 33.1 21.4 -8.6 3 9 A P - 0 0 4 0, 0.0 69,-2.4 0, 0.0 70,-0.4 -0.199 32.4-152.4 -59.0 146.7 32.4 18.1 -10.6 4 10 A V B -A 71 0A 40 67,-0.2 37,-2.6 68,-0.1 2,-0.5 -0.945 23.9-108.4-122.7 142.0 28.9 17.5 -12.0 5 11 A I E +B 40 0B 1 65,-1.8 64,-4.3 -2,-0.4 35,-0.3 -0.605 38.5 170.7 -77.1 119.2 27.5 14.0 -12.6 6 12 A T E + 0 0 71 33,-2.6 2,-0.3 -2,-0.5 34,-0.2 0.694 63.8 18.3 -98.9 -28.0 27.3 13.5 -16.4 7 13 A D E -B 39 0B 65 32,-2.0 32,-2.8 60,-0.1 2,-0.4 -0.998 52.7-169.3-150.9 141.6 26.3 9.8 -16.4 8 14 A X E -B 38 0B 8 -2,-0.3 2,-0.4 30,-0.2 30,-0.3 -0.982 11.1-174.1-132.7 122.2 24.9 7.1 -14.1 9 15 A K E -B 37 0B 88 28,-3.8 28,-3.2 -2,-0.4 2,-0.4 -0.914 8.3-166.7-113.0 140.1 24.9 3.4 -15.0 10 16 A V E +B 36 0B 22 -2,-0.4 26,-0.2 26,-0.2 -2,-0.0 -0.991 14.3 179.9-125.6 122.1 23.3 0.6 -13.1 11 17 A I E -B 35 0B 18 24,-2.8 24,-2.3 -2,-0.4 2,-0.2 -0.960 21.6-142.3-133.2 111.9 24.4 -2.9 -14.1 12 18 A P E -B 34 0B 11 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.523 29.9-179.3 -67.4 137.8 23.2 -6.2 -12.7 13 19 A V E -B 33 0B 0 20,-2.1 20,-2.6 -2,-0.2 2,-0.3 -0.967 15.1-154.2-142.3 153.9 26.0 -8.8 -12.5 14 20 A A E +B 32 0B 2 379,-1.3 2,-0.3 -2,-0.3 18,-0.2 -0.962 10.8 177.0-130.6 147.8 26.6 -12.4 -11.4 15 21 A G E -B 31 0B 4 16,-2.2 16,-2.6 -2,-0.3 2,-0.3 -0.828 34.5 -84.9-135.3-177.9 29.5 -14.5 -10.2 16 22 A H E +B 30 0B 54 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.675 40.4 179.7 -97.6 146.3 30.1 -18.0 -9.0 17 23 A D - 0 0 2 12,-2.7 131,-0.4 -2,-0.3 2,-0.2 -0.870 27.6-108.9-135.6 162.8 29.7 -19.4 -5.4 18 24 A S - 0 0 2 -2,-0.3 2,-2.4 129,-0.1 144,-0.1 -0.465 49.3 -92.7 -81.7 166.6 30.1 -22.5 -3.3 19 25 A X - 0 0 4 119,-0.3 119,-3.0 -2,-0.2 2,-0.1 -0.388 57.2-172.1 -80.2 63.3 27.0 -24.4 -2.0 20 26 A L E -D 137 0C 0 -2,-2.4 7,-2.2 117,-0.2 2,-0.4 -0.356 12.9-137.9 -67.5 133.6 27.1 -22.4 1.3 21 27 A X E +DE 136 26C 0 115,-3.0 115,-0.6 5,-0.2 2,-0.3 -0.814 36.0 143.8-102.8 131.4 24.7 -23.7 3.9 22 28 A N E > - E 0 25C 15 3,-2.0 3,-1.6 -2,-0.4 170,-0.2 -0.879 63.8 -84.6-148.3 176.3 22.6 -21.5 6.1 23 29 A V T 3 S+ 0 0 4 168,-0.4 398,-0.4 -2,-0.3 169,-0.1 0.802 121.8 63.4 -55.6 -33.9 19.1 -21.4 7.7 24 30 A G T 3 S- 0 0 22 1,-0.2 2,-0.4 396,-0.1 -1,-0.3 0.615 119.7 -99.1 -70.4 -11.9 17.7 -20.0 4.5 25 31 A G E < -E 22 0C 0 -3,-1.6 -3,-2.0 394,-0.1 2,-0.3 -0.999 62.6 -36.7 132.2-134.8 18.6 -23.1 2.5 26 32 A A E -E 21 0C 0 381,-2.3 385,-0.2 -2,-0.4 -5,-0.2 -0.978 62.5-103.8-128.4 146.3 21.6 -23.5 0.3 27 33 A H - 0 0 6 -7,-2.2 4,-0.1 -2,-0.3 -10,-0.0 -0.283 33.6-114.3 -66.8 149.9 23.2 -20.9 -1.9 28 34 A S - 0 0 42 2,-0.3 -8,-0.2 1,-0.1 -1,-0.1 -0.364 27.8-111.1 -70.2 159.7 22.8 -21.0 -5.7 29 35 A P S S+ 0 0 3 0, 0.0 -12,-2.7 0, 0.0 2,-0.4 0.799 106.8 52.8 -62.1 -27.6 25.8 -21.6 -7.9 30 36 A Y E -B 16 0B 57 -14,-0.2 2,-0.4 117,-0.1 -2,-0.3 -0.873 69.7-161.3-110.7 140.6 25.4 -18.0 -9.0 31 37 A F E -B 15 0B 19 -16,-2.6 -16,-2.2 -2,-0.4 2,-0.4 -0.931 12.6-149.9-115.2 147.0 25.2 -14.9 -6.8 32 38 A T E +B 14 0B 23 -2,-0.4 20,-1.1 -18,-0.2 2,-0.2 -0.934 20.1 163.1-123.0 143.1 23.9 -11.6 -8.1 33 39 A R E -BC 13 51B 3 -20,-2.6 -20,-2.1 -2,-0.4 2,-0.4 -0.798 31.2-112.9-142.1 178.4 24.7 -8.0 -7.2 34 40 A N E -BC 12 50B 0 16,-2.3 16,-2.6 -2,-0.2 2,-0.5 -0.987 19.2-157.1-129.5 129.7 24.2 -4.5 -8.6 35 41 A I E -BC 11 49B 0 -24,-2.3 -24,-2.8 -2,-0.4 2,-0.5 -0.873 2.4-158.4-108.6 130.2 26.9 -2.1 -9.8 36 42 A V E -BC 10 48B 0 12,-2.6 12,-1.9 -2,-0.5 2,-0.5 -0.930 8.4-172.0-107.8 123.1 26.5 1.7 -9.9 37 43 A I E -BC 9 47B 6 -28,-3.2 -28,-3.8 -2,-0.5 2,-0.4 -0.963 3.3-177.2-117.8 116.7 28.8 3.6 -12.3 38 44 A L E -BC 8 46B 0 8,-2.8 8,-2.5 -2,-0.5 2,-0.4 -0.903 6.4-164.8-108.0 142.0 28.8 7.4 -12.2 39 45 A T E -BC 7 45B 40 -32,-2.8 -33,-2.6 -2,-0.4 -32,-2.0 -0.967 9.0-157.1-120.2 139.7 30.8 9.6 -14.5 40 46 A D E > -B 5 0B 3 4,-2.0 3,-2.3 -2,-0.4 4,-0.3 -0.776 33.5-102.0-115.0 166.1 31.4 13.3 -13.8 41 47 A N T 3 S+ 0 0 98 -37,-2.6 -36,-0.1 1,-0.3 -1,-0.0 0.372 116.1 64.6 -70.1 6.3 32.3 16.2 -16.0 42 48 A S T 3 S- 0 0 61 -38,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.413 120.2-102.7-102.4 -1.0 36.0 16.1 -14.9 43 49 A G S < S+ 0 0 62 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.680 76.8 138.3 88.0 21.3 36.5 12.6 -16.5 44 50 A H - 0 0 70 -4,-0.3 -4,-2.0 2,-0.0 2,-0.4 -0.733 42.0-146.9-102.7 150.1 36.3 10.7 -13.2 45 51 A T E -C 39 0B 61 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.930 11.0-171.1-115.6 134.6 34.5 7.4 -12.5 46 52 A G E -C 38 0B 0 -8,-2.5 -8,-2.8 -2,-0.4 2,-0.4 -0.998 9.6-163.1-128.4 131.8 32.9 6.5 -9.1 47 53 A V E -C 37 0B 2 -2,-0.4 2,-0.3 54,-0.2 -10,-0.2 -0.890 11.5-177.2-121.0 145.2 31.6 3.1 -8.3 48 54 A G E -C 36 0B 0 -12,-1.9 -12,-2.6 -2,-0.4 2,-0.4 -0.958 12.4-149.6-129.5 155.9 29.2 1.4 -5.8 49 55 A E E +C 35 0B 1 -2,-0.3 -14,-0.2 -14,-0.2 52,-0.1 -0.991 18.3 173.2-126.7 136.6 28.2 -2.2 -5.2 50 56 A A E -C 34 0B 0 -16,-2.6 -16,-2.3 -2,-0.4 45,-0.1 -0.820 39.3 -86.2-129.1 165.1 24.9 -3.4 -3.8 51 57 A P E -C 33 0B 21 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.286 59.9 -96.8 -63.6 167.2 23.1 -6.7 -3.2 52 58 A G + 0 0 22 -20,-1.1 4,-0.3 -19,-0.1 -18,-0.1 0.021 62.5 75.9 -90.2-175.6 21.1 -8.1 -6.3 53 59 A G S > S- 0 0 8 -20,-0.2 4,-1.7 350,-0.2 351,-0.1 -0.185 76.7 -78.2 104.3 167.6 17.6 -8.2 -7.8 54 60 A A H > S+ 0 0 57 2,-0.2 4,-4.1 1,-0.2 5,-0.4 0.886 118.1 61.3 -71.2 -43.6 15.1 -6.1 -9.6 55 61 A T H > S+ 0 0 54 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.908 113.0 37.7 -51.2 -49.6 13.8 -4.0 -6.6 56 62 A I H > S+ 0 0 3 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.877 117.0 52.9 -68.6 -41.9 17.3 -2.6 -6.0 57 63 A E H X S+ 0 0 55 -4,-1.7 4,-3.0 1,-0.2 -2,-0.2 0.932 112.0 44.1 -60.2 -46.2 17.9 -2.3 -9.8 58 64 A N H X S+ 0 0 81 -4,-4.1 4,-1.9 2,-0.2 -1,-0.2 0.784 110.1 56.8 -71.4 -28.5 14.7 -0.4 -10.4 59 65 A A H X S+ 0 0 16 -4,-1.3 4,-1.5 -5,-0.4 -1,-0.2 0.936 112.9 40.1 -66.2 -45.5 15.4 1.8 -7.3 60 66 A L H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 3,-0.3 0.953 112.6 54.6 -68.1 -47.9 18.8 2.8 -8.8 61 67 A T H < S+ 0 0 59 -4,-3.0 3,-0.2 1,-0.2 -1,-0.2 0.855 108.2 51.6 -55.8 -35.4 17.4 3.1 -12.3 62 68 A E H < S+ 0 0 156 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.913 103.8 58.0 -62.0 -44.1 14.8 5.5 -11.0 63 69 A A H >< S+ 0 0 9 -4,-1.5 3,-2.2 -3,-0.3 4,-0.3 0.773 81.1 90.5 -61.7 -30.4 17.4 7.7 -9.2 64 70 A I G >X S+ 0 0 48 -4,-1.3 4,-2.9 1,-0.3 3,-2.5 0.812 86.7 45.2 -33.6 -64.3 19.3 8.5 -12.4 65 71 A P G 34 S+ 0 0 89 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.706 112.8 53.8 -61.0 -19.1 17.5 11.7 -13.4 66 72 A H G <4 S+ 0 0 127 -3,-2.2 -2,-0.2 -4,-0.3 -3,-0.1 0.307 117.9 35.7 -94.3 6.6 17.7 12.9 -9.8 67 73 A V T X4 S+ 0 0 2 -3,-2.5 3,-1.8 -4,-0.3 -62,-0.3 0.656 95.4 85.6-122.5 -50.2 21.5 12.4 -9.8 68 74 A V T 3< S+ 0 0 45 -4,-2.9 -62,-0.2 1,-0.3 -28,-0.1 -0.288 97.2 21.7 -61.2 137.3 22.7 13.3 -13.3 69 75 A G T 3 S+ 0 0 52 -64,-4.3 -1,-0.3 1,-0.3 -63,-0.1 0.391 97.7 117.0 86.3 -2.6 23.4 17.0 -13.7 70 76 A R < - 0 0 89 -3,-1.8 -65,-1.8 -65,-0.2 -1,-0.3 -0.790 69.5-109.7-100.9 141.0 23.8 17.6 -10.0 71 77 A P B > -A 4 0A 44 0, 0.0 3,-1.6 0, 0.0 -67,-0.2 -0.402 16.9-129.3 -70.5 144.0 27.1 18.8 -8.4 72 78 A I G > S+ 0 0 0 -69,-2.4 3,-1.5 1,-0.3 -68,-0.1 0.720 101.6 78.0 -60.6 -22.9 29.0 16.3 -6.2 73 79 A S G 3 S+ 0 0 6 -70,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.728 92.9 49.6 -61.0 -24.8 29.1 19.0 -3.5 74 80 A I G X> + 0 0 31 -3,-1.6 4,-2.3 1,-0.2 3,-0.8 0.038 68.7 127.3-103.4 27.5 25.4 18.2 -2.5 75 81 A L H <> + 0 0 15 -3,-1.5 4,-3.1 1,-0.3 5,-0.3 0.845 69.5 59.2 -54.3 -37.9 25.8 14.4 -2.2 76 82 A N H 3> S+ 0 0 31 474,-0.3 4,-2.0 -3,-0.3 -1,-0.3 0.900 110.1 43.4 -55.4 -44.8 24.3 14.5 1.3 77 83 A K H <> S+ 0 0 57 -3,-0.8 4,-3.0 473,-0.2 5,-0.3 0.968 113.2 51.2 -61.2 -57.5 21.1 16.0 -0.2 78 84 A I H X S+ 0 0 8 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.879 114.2 43.6 -47.4 -50.9 21.2 13.6 -3.2 79 85 A V H X S+ 0 0 7 -4,-3.1 4,-0.9 1,-0.2 3,-0.4 0.904 116.2 47.3 -62.7 -43.7 21.5 10.6 -0.9 80 86 A N H < S+ 0 0 47 -4,-2.0 4,-0.3 -5,-0.3 -2,-0.2 0.802 105.7 57.6 -75.3 -30.2 18.9 11.8 1.5 81 87 A D H >< S+ 0 0 86 -4,-3.0 3,-0.9 1,-0.2 -1,-0.3 0.774 99.0 63.2 -63.0 -30.3 16.4 12.7 -1.2 82 88 A X H 3< S+ 0 0 26 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.864 92.0 60.6 -69.1 -37.2 16.6 9.1 -2.3 83 89 A H T 3< 0 0 72 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.685 360.0 360.0 -56.1 -20.8 15.2 7.8 1.1 84 90 A N < 0 0 134 -3,-0.9 -3,-0.1 -4,-0.3 0, 0.0 -0.185 360.0 360.0-118.3 360.0 12.1 9.9 0.1 85 ! 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 86 104 A A 0 0 110 0, 0.0 5,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 27.0 9.6 -5.2 5.1 87 105 A W > + 0 0 201 3,-0.1 4,-0.5 2,-0.1 5,-0.1 0.963 360.0 1.8 -86.6 -77.0 9.3 -4.8 1.3 88 106 A T H > S+ 0 0 62 3,-0.1 4,-3.8 2,-0.1 5,-0.3 0.674 118.1 75.5 -91.1 -17.6 11.1 -1.8 -0.2 89 107 A F H > S+ 0 0 136 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.944 101.2 35.8 -65.7 -55.3 12.6 -0.5 3.1 90 108 A E H > S+ 0 0 118 2,-0.2 4,-0.8 1,-0.1 -1,-0.2 0.889 126.9 42.3 -60.4 -41.1 15.4 -3.0 3.7 91 109 A L H >X S+ 0 0 42 -4,-0.5 4,-1.1 1,-0.2 3,-0.9 0.946 107.5 54.9 -78.7 -52.4 16.0 -3.2 -0.1 92 110 A R H 3X S+ 0 0 78 -4,-3.8 4,-2.2 1,-0.3 3,-0.2 0.804 104.2 58.7 -49.6 -33.5 15.8 0.5 -1.1 93 111 A V H 3X S+ 0 0 28 -4,-1.1 4,-2.2 -5,-0.3 -1,-0.3 0.881 99.1 56.9 -72.2 -33.4 18.4 1.3 1.5 94 112 A N H S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-1.1 0.854 111.4 53.6 -55.8 -39.0 37.4 11.6 -2.4 109 127 A Q H <5S+ 0 0 41 -4,-2.3 -1,-0.2 270,-0.3 -2,-0.2 0.891 110.4 47.5 -61.5 -40.2 39.0 11.6 -5.9 110 128 A F H <5S+ 0 0 20 -4,-2.3 -2,-0.2 -3,-0.3 -1,-0.2 0.842 117.2 41.1 -70.8 -35.3 38.2 15.4 -6.1 111 129 A L H <5S- 0 0 7 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.543 110.1-123.6 -89.9 -9.5 39.7 16.1 -2.7 112 130 A G T <5S+ 0 0 52 -4,-1.1 -3,-0.2 1,-0.3 -4,-0.1 0.840 72.6 109.6 68.6 36.9 42.6 13.7 -3.3 113 131 A V S -g 380 0D 26 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.437 40.4-111.6 -65.6 150.1 40.6 8.0 0.4 115 133 A V G >> S+ 0 0 0 265,-2.2 3,-2.8 1,-0.3 4,-0.8 0.843 113.0 75.5 -49.6 -35.6 36.9 7.8 1.3 116 134 A A G 34 S+ 0 0 0 264,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.777 91.8 53.4 -51.2 -29.0 38.0 6.8 4.9 117 135 A E G <4 S+ 0 0 13 -3,-2.1 391,-0.4 5,-0.3 -1,-0.3 0.690 103.4 55.9 -83.8 -9.6 39.0 10.4 5.5 118 136 A L T <4 S+ 0 0 38 -3,-2.8 2,-0.5 -4,-0.4 -2,-0.2 0.552 95.5 86.3 -91.3 -9.8 35.5 11.6 4.4 119 137 A L S >< S- 0 0 1 -4,-0.8 3,-2.6 -3,-0.4 184,-0.1 -0.806 100.9 -57.4-100.9 127.6 33.9 9.3 7.0 120 138 A G T 3 S- 0 0 26 -2,-0.5 3,-0.1 1,-0.3 221,-0.1 -0.132 122.1 -1.8 54.5-126.1 33.3 10.2 10.7 121 139 A P T 3 S- 0 0 14 0, 0.0 -1,-0.3 0, 0.0 391,-0.2 0.295 111.0-105.8 -79.8 6.1 36.5 11.1 12.6 122 140 A G < - 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0 0 2 0, 0.0 3,-1.1 0, 0.0 25,-0.1 0.309 48.8-120.7 -88.8 9.5 16.2 27.3 36.6 653 238 B N T 3 - 0 0 33 23,-0.3 24,-0.1 1,-0.2 27,-0.1 0.765 59.7 -72.0 56.4 30.1 19.7 25.9 36.1 654 239 B G T 3 S+ 0 0 2 23,-2.8 26,-0.5 22,-0.3 -1,-0.2 0.806 96.4 132.4 58.9 35.8 19.0 23.0 38.4 655 240 B C B < +I 679 0T 1 -3,-1.1 2,-0.3 22,-0.2 24,-0.1 0.495 49.2 89.3 -94.4 -3.0 19.1 25.0 41.6 656 241 B W B S-j 679 0T 1 22,-1.4 24,-0.7 201,-0.1 2,-0.1 -0.644 78.6-120.5 -91.2 148.2 15.9 23.5 42.8 657 242 B S > - 0 0 38 -2,-0.3 4,-2.8 22,-0.1 5,-0.2 -0.421 31.8-108.2 -74.6 160.9 15.6 20.3 44.9 658 243 B L H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.954 121.3 47.4 -54.1 -53.9 13.6 17.4 43.5 659 244 B D H > S+ 0 0 123 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.878 113.5 49.0 -57.5 -43.1 10.8 18.0 46.0 660 245 B E H > S+ 0 0 81 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.959 111.3 48.4 -54.7 -56.4 10.7 21.7 45.3 661 246 B A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.3 -2,-0.2 0.846 111.7 49.9 -60.7 -38.5 10.7 21.2 41.5 662 247 B I H X S+ 0 0 29 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.3 0.906 112.2 47.7 -65.0 -43.5 7.9 18.7 41.7 663 248 B Q H < S+ 0 0 161 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.904 115.6 45.2 -63.4 -44.1 5.8 21.1 44.0 664 249 B L H < S+ 0 0 34 -4,-2.9 -2,-0.2 1,-0.2 3,-0.2 0.846 120.3 37.6 -68.9 -34.9 6.5 24.1 41.6 665 250 B C H >< S+ 0 0 1 -4,-2.0 3,-2.2 -5,-0.2 -2,-0.2 0.624 82.3 101.6 -99.2 -15.1 5.7 22.2 38.3 666 251 B K T 3< S+ 0 0 122 -4,-1.6 3,-0.3 1,-0.3 -1,-0.2 0.758 91.6 32.1 -41.6 -49.1 2.8 19.8 39.1 667 252 B G T 3 S+ 0 0 61 -4,-0.3 3,-0.3 -3,-0.2 -1,-0.3 0.168 96.4 91.5 -97.9 20.0 -0.1 21.8 37.6 668 253 B L X> + 0 0 14 -3,-2.2 4,-3.1 1,-0.2 3,-1.9 0.261 41.2 113.3-105.9 11.8 1.9 23.5 34.7 669 254 B N T 34 S+ 0 0 74 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.850 87.2 41.3 -50.7 -41.8 1.4 21.0 31.9 670 255 B D T 34 S+ 0 0 95 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.432 121.4 44.9 -87.2 -1.8 -0.6 23.5 29.9 671 256 B V T <4 S+ 0 0 21 -3,-1.9 -23,-0.5 1,-0.2 2,-0.5 0.823 106.8 53.8-104.2 -59.6 1.7 26.4 30.9 672 257 B L E < -f 648 0S 3 -4,-3.1 -1,-0.2 1,-0.2 -23,-0.2 -0.696 56.9-164.8 -81.2 123.9 5.2 25.0 30.4 673 258 B T E S- 0 0 53 -25,-2.3 2,-0.3 -2,-0.5 -1,-0.2 0.857 81.2 -23.3 -70.0 -36.7 6.0 23.5 27.0 674 259 B Y E -f 649 0S 4 -26,-0.5 -24,-1.1 26,-0.1 2,-0.5 -0.970 60.7-123.2-164.5 165.1 9.0 22.0 28.7 675 260 B A E -fg 650 702S 3 26,-2.8 28,-2.0 -2,-0.3 2,-0.5 -0.954 20.6-150.4-117.9 114.4 11.3 22.4 31.8 676 261 B E E S- g 0 703S 0 -26,-2.1 -23,-0.3 -2,-0.5 -22,-0.3 -0.723 71.4 -29.0 -82.3 126.8 15.0 22.8 31.2 677 262 B D S S+ 0 0 0 26,-3.1 -23,-2.8 -2,-0.5 -1,-0.2 0.792 73.0 164.2 38.2 57.5 17.2 21.5 34.1 678 263 B P + 0 0 0 0, 0.0 -22,-1.4 0, 0.0 2,-0.3 0.946 67.2 14.5 -65.8 -45.6 14.8 22.1 37.0 679 264 B C B S-Ij 655 656T 0 -25,-0.1 -22,-0.1 -24,-0.1 2,-0.1 -0.977 70.0-168.5-137.0 145.2 16.6 19.8 39.4 680 265 B I - 0 0 26 -24,-0.7 -22,-0.2 -26,-0.5 5,-0.1 -0.384 45.3 -30.7-121.3-171.0 20.0 18.2 39.4 681 266 B G + 0 0 31 -2,-0.1 2,-0.3 433,-0.1 -1,-0.2 -0.176 64.0 160.7 -45.8 130.1 22.1 15.6 41.3 682 267 B E B > +K 685 0U 38 3,-1.1 3,-1.4 4,-0.1 8,-0.0 -0.965 51.7 7.3-154.0 144.2 21.2 15.2 45.0 683 268 B N T 3 S- 0 0 136 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.861 128.6 -49.7 57.7 45.4 21.7 12.6 47.8 684 269 B G T 3 S+ 0 0 67 1,-0.3 433,-0.3 432,-0.0 2,-0.3 0.137 114.9 113.5 83.7 -22.8 24.0 10.3 45.9 685 270 B Y B < -K 682 0U 16 -3,-1.4 -3,-1.1 431,-0.1 -1,-0.3 -0.622 66.1-125.9 -78.6 141.7 21.7 10.2 42.9 686 271 B S > - 0 0 8 -2,-0.3 4,-2.6 -5,-0.2 5,-0.3 -0.349 26.5 -97.3 -86.3 169.0 23.1 11.8 39.7 687 272 B G H > S+ 0 0 10 427,-0.4 4,-2.4 1,-0.2 5,-0.2 0.860 123.5 49.5 -50.2 -42.9 21.5 14.5 37.6 688 273 B R H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.861 110.4 49.8 -71.3 -38.3 20.0 12.1 35.1 689 274 B E H > S+ 0 0 0 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.936 113.3 45.8 -63.8 -48.5 18.5 9.9 37.8 690 275 B I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.901 113.1 50.2 -60.1 -43.3 16.9 12.9 39.6 691 276 B X H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.884 106.1 56.2 -62.4 -40.6 15.6 14.3 36.2 692 277 B A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.906 110.1 45.6 -56.1 -44.6 14.2 10.8 35.4 693 278 B E H X S+ 0 0 8 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.907 111.3 51.4 -67.4 -44.5 12.2 11.0 38.6 694 279 B F H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 5,-0.4 0.935 112.6 46.6 -53.9 -48.9 11.0 14.6 38.0 695 280 B R H X S+ 0 0 23 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.887 112.5 51.4 -61.1 -41.3 9.9 13.6 34.5 696 281 B R H < S+ 0 0 32 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.786 116.1 38.8 -64.6 -33.5 8.1 10.5 36.0 697 282 B R H < S+ 0 0 94 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.624 123.6 34.8-104.0 -13.8 6.2 12.4 38.7 698 283 B T H < S- 0 0 12 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.775 83.5-140.2-102.9 -41.0 5.2 15.7 36.8 699 284 B G < + 0 0 46 -4,-1.6 -4,-0.1 -5,-0.4 -3,-0.1 0.519 56.3 138.1 83.0 7.6 4.6 14.5 33.2 700 285 B I - 0 0 1 -6,-0.3 -1,-0.3 -5,-0.1 -2,-0.2 -0.710 61.2-112.8 -86.0 132.0 6.3 17.7 32.0 701 286 B P - 0 0 46 0, 0.0 -26,-2.8 0, 0.0 2,-0.3 -0.396 38.4-146.1 -60.4 140.9 8.7 17.4 29.1 702 287 B T E -g 675 0S 0 -28,-0.2 23,-2.6 -2,-0.1 22,-2.4 -0.868 17.1-171.4-121.4 151.1 12.3 18.0 30.1 703 288 B A E -gh 676 725S 0 -28,-2.0 -26,-3.1 -2,-0.3 2,-0.3 -0.888 7.7-171.6-132.3 158.8 15.4 19.5 28.5 704 289 B T E + h 0 726S 0 21,-1.4 23,-2.8 -2,-0.3 -28,-0.0 -0.992 36.7 167.1-154.8 147.0 19.0 19.8 29.5 705 290 B N S S+ 0 0 35 -2,-0.3 -1,-0.1 21,-0.1 24,-0.0 -0.003 93.0 55.7-128.4 20.4 22.3 21.2 28.8 706 291 B X S S+ 0 0 73 2,-0.0 3,-0.3 -19,-0.0 -19,-0.1 0.647 107.6 36.6-121.1 -29.1 23.6 20.1 32.2 707 292 B I S S+ 0 0 4 1,-0.2 10,-0.2 -20,-0.1 -19,-0.2 0.534 121.6 40.3-111.6 -11.9 23.1 16.3 32.5 708 293 B A + 0 0 1 19,-0.1 -1,-0.2 1,-0.1 6,-0.1 -0.424 68.4 138.9-127.6 59.6 23.8 15.2 28.9 709 294 B T S S+ 0 0 38 -3,-0.3 2,-0.3 19,-0.1 -1,-0.1 0.592 70.9 17.6 -86.0 -9.9 26.8 17.4 28.1 710 295 B N S > S- 0 0 60 -3,-0.1 4,-3.0 1,-0.0 5,-0.2 -0.935 89.1 -93.1-149.1 173.1 28.7 14.7 26.2 711 296 B W H > S+ 0 0 28 -2,-0.3 4,-1.6 1,-0.2 -1,-0.0 0.790 122.9 54.6 -57.1 -35.9 28.2 11.2 24.6 712 297 B R H > S+ 0 0 82 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.921 114.2 41.1 -67.0 -44.5 29.1 9.4 27.8 713 298 B E H > S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 3,-0.2 0.893 109.1 60.3 -64.7 -42.7 26.4 11.4 29.7 714 299 B X H X S+ 0 0 2 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.831 99.9 58.5 -55.3 -36.0 24.0 11.0 26.8 715 300 B C H X S+ 0 0 3 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.936 111.5 36.7 -60.5 -52.2 24.2 7.3 27.2 716 301 B H H X S+ 0 0 2 -4,-1.0 4,-2.8 -3,-0.2 5,-0.2 0.909 113.9 57.4 -70.8 -42.0 23.0 7.2 30.8 717 302 B A H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 6,-0.5 0.869 111.9 41.5 -55.9 -41.1 20.5 10.0 30.3 718 303 B I H <5S+ 0 0 4 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.845 112.8 53.3 -78.1 -36.1 18.8 8.1 27.5 719 304 B X H <5S+ 0 0 4 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.888 115.3 41.8 -59.7 -42.1 19.0 4.7 29.4 720 305 B L T <5S- 0 0 1 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.580 107.4-130.3 -82.3 -12.6 17.3 6.4 32.4 721 306 B Q T 5 + 0 0 8 -4,-0.5 -3,-0.2 -5,-0.2 -4,-0.1 0.931 58.0 144.7 59.3 49.5 14.8 8.3 30.1 722 307 B S < + 0 0 0 -5,-2.5 2,-0.4 -6,-0.1 -4,-0.1 0.734 51.9 55.7 -85.3 -26.4 15.7 11.6 31.8 723 308 B V + 0 0 3 -6,-0.5 -20,-0.2 1,-0.1 -1,-0.1 -0.911 37.8 173.8-125.5 137.6 15.4 13.9 28.8 724 309 B D S S+ 0 0 29 -22,-2.4 27,-2.1 -2,-0.4 -21,-0.2 0.750 91.4 28.7 -98.1 -39.9 12.8 14.7 26.2 725 310 B I E S-h 703 0S 12 -23,-2.6 -21,-1.4 25,-0.2 2,-0.6 -0.884 73.3-163.0-127.2 94.4 14.8 17.5 24.6 726 311 B P E -h 704 0S 0 0, 0.0 27,-1.5 0, 0.0 2,-0.5 -0.695 15.2-142.8 -79.0 121.1 18.6 17.2 24.8 727 312 B L B +l 753 0V 3 -23,-2.8 2,-0.3 -2,-0.6 27,-0.3 -0.747 26.9 171.2 -83.7 128.7 20.2 20.6 24.1 728 313 B A - 0 0 0 25,-2.6 14,-0.1 -2,-0.5 13,-0.1 -0.769 10.4-170.1-145.6 90.6 23.4 20.0 22.2 729 314 B D >> - 0 0 3 -2,-0.3 3,-2.0 1,-0.1 4,-1.4 -0.658 30.1-122.3 -95.6 138.9 24.9 23.2 20.9 730 315 B P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 7,-0.1 0.672 108.1 63.4 -51.3 -28.0 27.9 23.3 18.4 731 316 B H H 34 S+ 0 0 7 24,-0.2 -201,-0.3 1,-0.2 -200,-0.2 0.818 116.4 29.9 -67.9 -30.3 30.1 25.3 20.7 732 317 B F H <4 S+ 0 0 44 -3,-2.0 -1,-0.2 2,-0.1 -205,-0.1 0.569 135.9 29.1-103.5 -13.8 30.1 22.5 23.3 733 318 B W H < S- 0 0 21 -4,-1.4 4,-0.3 1,-0.1 -2,-0.2 0.432 105.1-113.4-121.6 -2.1 29.7 19.6 20.8 734 319 B T X - 0 0 4 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.1 0.059 37.0 -90.5 67.1 164.5 31.4 20.8 17.5 735 320 B L H > S+ 0 0 0 -205,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.881 129.9 44.4 -75.1 -38.6 29.0 21.3 14.5 736 321 B T H > S+ 0 0 45 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.923 115.3 49.9 -69.3 -42.7 29.4 17.8 13.2 737 322 B G H > S+ 0 0 2 -4,-0.3 4,-1.6 1,-0.2 3,-0.2 0.896 110.7 48.4 -60.8 -46.4 29.0 16.4 16.8 738 323 B A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.856 108.1 56.1 -60.0 -37.5 25.9 18.5 17.3 739 324 B S H X S+ 0 0 8 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.851 104.2 53.9 -63.3 -32.5 24.5 17.2 14.0 740 325 B R H X S+ 0 0 38 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.872 109.3 45.9 -74.5 -41.5 25.0 13.7 15.2 741 326 B V H X S+ 0 0 2 -4,-1.6 4,-3.5 2,-0.2 5,-0.2 0.921 111.4 55.2 -56.5 -48.0 22.9 14.3 18.3 742 327 B A H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.894 112.2 41.8 -56.2 -45.5 20.4 16.1 16.1 743 328 B Q H X S+ 0 0 20 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.928 114.7 50.4 -66.5 -48.3 20.1 13.0 13.9 744 329 B L H X S+ 0 0 10 -4,-2.6 4,-1.2 1,-0.2 6,-0.3 0.946 109.8 52.0 -55.3 -48.5 20.0 10.6 16.8 745 330 B C H ><>S+ 0 0 2 -4,-3.5 5,-2.1 1,-0.2 3,-0.6 0.911 112.4 43.9 -54.5 -50.7 17.3 12.6 18.5 746 331 B N H ><5S+ 0 0 57 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.911 112.3 52.5 -62.1 -43.9 15.0 12.6 15.5 747 332 B E H 3<5S+ 0 0 51 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.661 114.2 44.1 -67.8 -17.0 15.6 8.9 14.7 748 333 B W T <<5S- 0 0 9 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.251 116.8-104.8-115.0 8.7 14.7 8.0 18.3 749 334 B G T < 5S+ 0 0 16 -3,-1.2 -3,-0.2 1,-0.3 2,-0.1 0.567 83.0 121.3 77.3 7.1 11.6 10.2 18.8 750 335 B L < - 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