==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-NOV-97 1AY8 . COMPND 2 MOLECULE: AROMATIC AMINO ACID AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR A.OKAMOTO,K.HIROTSU,H.KAGAMIYAMA . 782 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 563 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 0 0.0 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 . 49 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 320 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 0 0 2 1 4 5 2 2 4 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 4 0 2 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 . 1 2 2 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 1 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 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 5 A M > 0 0 48 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -46.8 114.7 20.5 22.0 2 6 A L G > + 0 0 0 1,-0.3 3,-1.0 2,-0.2 647,-0.0 0.578 360.0 76.2 -58.1 -9.4 113.7 19.7 18.4 3 7 A G G 3 S+ 0 0 41 1,-0.2 -1,-0.3 654,-0.1 646,-0.0 0.717 84.3 63.5 -75.2 -19.4 115.0 16.2 18.8 4 8 A N G < S+ 0 0 104 -3,-2.4 -1,-0.2 500,-0.1 -2,-0.2 0.508 76.8 122.5 -79.3 -8.1 112.0 15.2 20.9 5 9 A L < - 0 0 4 -3,-1.0 499,-0.1 -4,-0.2 653,-0.1 -0.355 64.8-129.0 -59.1 126.4 109.9 15.9 17.8 6 10 A K - 0 0 153 497,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.597 33.2-101.6 -77.5 138.8 107.8 12.8 16.8 7 11 A P - 0 0 102 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.423 34.2-144.9 -64.6 132.7 108.2 11.9 13.1 8 12 A Q - 0 0 54 649,-0.3 655,-0.1 -2,-0.1 656,-0.0 -0.851 18.4-115.1-101.9 135.3 105.3 13.0 10.9 9 13 A A - 0 0 67 -2,-0.4 -1,-0.0 1,-0.1 0, 0.0 -0.352 32.7-110.3 -68.9 143.7 104.3 10.9 7.9 10 14 A P - 0 0 78 0, 0.0 -1,-0.1 0, 0.0 650,-0.0 -0.087 34.3 -97.2 -64.5 172.5 104.6 12.3 4.4 11 15 A D - 0 0 58 1,-0.1 -2,-0.1 4,-0.0 0, 0.0 0.929 39.4-142.4 -55.6 -56.3 101.6 13.3 2.2 12 16 A K S > S+ 0 0 102 0, 0.0 4,-1.8 0, 0.0 3,-0.4 -0.173 82.7 96.2 110.9 -24.7 101.5 10.1 0.2 13 17 A I H > S+ 0 0 116 1,-0.3 4,-0.7 2,-0.2 19,-0.0 0.757 89.6 48.5 -61.8 -21.3 100.6 11.8 -3.0 14 18 A L H > S+ 0 0 83 2,-0.2 4,-3.1 3,-0.1 -1,-0.3 0.753 101.0 59.1 -90.7 -29.5 104.4 11.6 -3.6 15 19 A A H > S+ 0 0 40 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.913 110.1 45.3 -66.1 -40.1 104.9 7.9 -2.8 16 20 A L H X S+ 0 0 69 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.882 113.9 51.8 -67.4 -38.1 102.4 7.1 -5.5 17 21 A M H X S+ 0 0 63 -4,-0.7 4,-2.6 -5,-0.3 -2,-0.2 0.913 107.2 49.9 -64.8 -46.6 104.3 9.6 -7.7 18 22 A G H X S+ 0 0 27 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.867 112.4 48.7 -61.9 -37.9 107.7 8.1 -7.1 19 23 A E H X S+ 0 0 87 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.937 111.2 49.1 -67.1 -47.9 106.5 4.7 -7.9 20 24 A F H >< S+ 0 0 32 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.916 112.4 47.9 -58.2 -46.7 104.7 5.8 -11.1 21 25 A R H 3< S+ 0 0 163 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.839 107.1 56.9 -63.9 -35.8 107.9 7.7 -12.3 22 26 A A H 3< S+ 0 0 78 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.714 82.6 103.7 -68.8 -21.9 110.1 4.7 -11.5 23 27 A D << - 0 0 19 -4,-1.0 5,-0.1 -3,-0.8 -3,-0.0 -0.503 59.0-159.2 -67.6 117.4 108.0 2.5 -13.9 24 28 A P + 0 0 104 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.300 52.0 121.8 -80.0 9.1 109.9 1.9 -17.2 25 29 A R > - 0 0 82 1,-0.1 3,-1.2 2,-0.0 -2,-0.1 -0.626 55.7-150.9 -79.4 130.0 106.7 1.0 -19.1 26 30 A Q T 3 S+ 0 0 185 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.834 94.7 51.3 -66.7 -34.7 105.9 3.2 -22.0 27 31 A G T 3 S+ 0 0 57 2,-0.0 -1,-0.3 -3,-0.0 2,-0.1 0.141 76.9 139.5 -92.6 21.5 102.2 2.7 -21.7 28 32 A K < - 0 0 56 -3,-1.2 2,-0.3 -5,-0.1 336,-0.2 -0.398 34.6-159.5 -67.9 141.4 101.8 3.6 -18.0 29 33 A I E -a 364 0A 20 334,-2.3 336,-2.9 -2,-0.1 2,-0.6 -0.935 9.1-147.5-123.1 143.5 98.8 5.7 -17.1 30 34 A D E +a 365 0A 40 -2,-0.3 3,-0.3 334,-0.2 336,-0.2 -0.896 28.6 157.8-116.6 103.3 98.2 7.9 -14.0 31 35 A L + 0 0 0 334,-3.0 342,-0.9 -2,-0.6 336,-0.4 0.164 63.2 82.3-104.6 14.6 94.6 8.0 -12.8 32 36 A G + 0 0 17 334,-0.2 -1,-0.2 340,-0.2 334,-0.1 0.492 59.8 121.2 -95.7 -6.6 95.7 9.0 -9.3 33 37 A V - 0 0 24 -3,-0.3 343,-0.1 1,-0.1 342,-0.1 -0.297 50.7-155.3 -58.7 141.5 96.1 12.7 -10.1 34 38 A G + 0 0 29 2,-0.1 2,-0.3 339,-0.0 -1,-0.1 0.094 67.0 66.1-107.9 22.0 94.0 15.1 -8.0 35 39 A V S S- 0 0 13 309,-0.1 2,-0.2 338,-0.0 340,-0.1 -0.899 90.6 -88.0-135.3 165.0 93.8 18.0 -10.3 36 40 A Y - 0 0 47 -2,-0.3 2,-0.4 8,-0.1 -2,-0.1 -0.523 40.5-176.1 -76.2 141.6 92.2 18.7 -13.7 37 41 A K - 0 0 56 -2,-0.2 6,-0.2 6,-0.1 -4,-0.0 -0.997 15.6-137.8-137.3 135.1 94.3 18.0 -16.7 38 42 A D > - 0 0 44 4,-3.2 3,-2.1 -2,-0.4 4,-0.0 -0.081 45.5 -73.7 -79.9-168.8 93.2 18.6 -20.3 39 43 A A T 3 S+ 0 0 97 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.797 132.4 52.0 -56.6 -34.2 93.7 16.4 -23.4 40 44 A T T 3 S- 0 0 90 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.315 120.9-105.3 -87.4 7.3 97.4 17.1 -23.6 41 45 A G S < S+ 0 0 40 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.811 80.4 126.0 74.0 31.5 97.9 16.2 -19.9 42 46 A H - 0 0 116 -4,-0.0 -4,-3.2 410,-0.0 -1,-0.3 -0.864 60.1-137.2-121.5 155.8 98.3 19.8 -18.7 43 47 A T - 0 0 10 -2,-0.3 410,-0.5 -6,-0.2 411,-0.3 -0.836 37.2-160.9-110.8 88.3 96.6 21.9 -16.1 44 48 A P - 0 0 44 0, 0.0 2,-0.5 0, 0.0 409,-0.3 0.005 21.0-111.1 -66.4 170.5 96.1 25.2 -17.9 45 49 A I - 0 0 27 406,-0.3 201,-0.1 407,-0.1 202,-0.1 -0.925 43.6-110.5-102.4 125.0 95.4 28.7 -16.5 46 50 A M > - 0 0 16 -2,-0.5 4,-2.1 199,-0.4 3,-0.5 -0.328 21.0-122.5 -58.9 140.3 91.9 29.7 -17.4 47 51 A R H > S+ 0 0 129 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.882 111.6 49.9 -49.5 -49.5 91.6 32.5 -20.0 48 52 A A H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.845 109.2 53.6 -62.5 -33.5 89.6 34.8 -17.8 49 53 A V H > S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.910 108.5 47.6 -68.8 -42.3 92.1 34.3 -15.0 50 54 A H H X S+ 0 0 65 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.822 111.9 52.6 -66.6 -30.7 95.0 35.3 -17.2 51 55 A A H X S+ 0 0 23 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.904 107.5 50.8 -70.2 -41.9 93.0 38.3 -18.2 52 56 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.891 108.5 52.0 -63.7 -39.7 92.4 39.3 -14.6 53 57 A E H X S+ 0 0 19 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.857 108.8 49.4 -66.3 -36.0 96.1 39.1 -13.8 54 58 A Q H X S+ 0 0 88 -4,-1.4 4,-0.9 2,-0.2 -1,-0.2 0.935 113.3 49.0 -65.3 -43.8 97.0 41.4 -16.8 55 59 A R H X S+ 0 0 95 -4,-2.2 4,-1.5 1,-0.2 3,-0.5 0.876 110.5 48.8 -62.1 -43.4 94.3 43.8 -15.5 56 60 A M H X S+ 0 0 11 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.897 105.5 58.6 -65.5 -39.8 95.6 43.7 -11.9 57 61 A L H < S+ 0 0 32 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.725 112.9 40.0 -62.6 -23.9 99.2 44.3 -13.1 58 62 A E H < S+ 0 0 160 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.684 122.1 37.2 -99.4 -22.3 98.0 47.6 -14.7 59 63 A T H < S+ 0 0 87 -4,-1.5 2,-0.2 -3,-0.2 -2,-0.2 0.745 89.4 94.2-102.8 -28.8 95.6 48.9 -12.2 60 64 A E < + 0 0 50 -4,-2.6 3,-0.1 -5,-0.2 375,-0.1 -0.500 39.7 172.6 -70.9 130.8 97.1 48.0 -8.8 61 66 A T + 0 0 113 -2,-0.2 374,-0.4 1,-0.2 2,-0.3 0.505 62.3 26.3-113.1 -12.4 99.2 50.9 -7.4 62 67 A T - 0 0 31 372,-0.1 -1,-0.2 2,-0.1 373,-0.1 -0.960 44.9-159.5-149.8 163.2 99.9 49.5 -3.9 63 68 A K + 0 0 8 370,-0.4 576,-2.6 -2,-0.3 577,-0.3 -0.034 46.7 141.9-132.3 26.4 100.3 46.2 -1.9 64 69 A T - 0 0 30 369,-0.3 575,-0.1 574,-0.2 -2,-0.1 -0.115 68.4 -64.0 -62.7 169.2 99.7 47.7 1.5 65 70 A Y - 0 0 39 573,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.261 63.1-175.5 -56.4 138.6 97.8 45.7 4.1 66 71 A A - 0 0 19 1,-0.2 2,-0.3 217,-0.2 -1,-0.1 -0.057 42.3 -16.6-113.3-142.1 94.2 45.3 3.0 67 72 A G > - 0 0 19 1,-0.1 3,-1.0 -2,-0.1 -1,-0.2 -0.510 48.1-146.3 -75.1 128.8 91.1 43.7 4.6 68 73 A L T 3 S+ 0 0 38 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.875 102.8 29.9 -56.6 -45.7 91.6 41.5 7.6 69 74 A S T 3 S- 0 0 24 1,-0.4 27,-2.5 213,-0.1 -1,-0.3 0.272 132.0 -80.9-101.2 14.1 88.7 39.2 6.7 70 75 A G < - 0 0 7 -3,-1.0 -1,-0.4 25,-0.2 215,-0.1 -0.516 59.1 -56.2 112.5 173.5 89.0 39.8 3.0 71 76 A E >> - 0 0 58 -2,-0.2 4,-2.5 1,-0.1 3,-0.9 -0.760 41.9-127.0 -92.1 138.6 87.9 42.4 0.5 72 77 A P H 3> S+ 0 0 91 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.875 109.6 57.3 -49.2 -45.3 84.2 43.3 0.3 73 78 A E H 3> S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.871 111.9 42.6 -56.0 -39.1 84.2 42.8 -3.4 74 79 A F H <> S+ 0 0 2 -3,-0.9 4,-2.9 2,-0.2 5,-0.3 0.936 113.4 50.2 -73.5 -48.7 85.4 39.2 -2.9 75 80 A Q H X S+ 0 0 32 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.888 116.8 41.5 -56.8 -44.6 83.1 38.5 0.1 76 81 A K H X S+ 0 0 93 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.935 115.0 49.3 -70.9 -47.3 80.0 39.7 -1.7 77 82 A A H X S+ 0 0 9 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.905 113.8 46.9 -60.1 -41.8 80.9 38.1 -5.1 78 83 A M H X S+ 0 0 3 -4,-2.9 4,-2.1 2,-0.2 5,-0.2 0.916 111.2 51.5 -67.3 -41.4 81.6 34.7 -3.4 79 84 A G H X S+ 0 0 1 -4,-1.9 4,-2.7 -5,-0.3 5,-0.3 0.888 112.4 45.8 -62.5 -40.1 78.4 34.9 -1.4 80 85 A E H X S+ 0 0 95 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.860 110.1 54.1 -71.0 -35.8 76.3 35.6 -4.5 81 86 A L H < S+ 0 0 6 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.909 119.6 33.1 -64.7 -40.9 78.1 32.9 -6.5 82 87 A I H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.937 133.2 25.6 -81.7 -50.5 77.3 30.3 -3.8 83 88 A L H >< S- 0 0 10 -4,-2.7 3,-1.8 -5,-0.2 -3,-0.2 0.435 85.3-166.6 -97.8 -2.0 73.9 31.4 -2.4 84 89 A G G >< - 0 0 16 -4,-1.6 3,-1.2 -5,-0.3 -1,-0.2 -0.185 69.2 -12.6 54.0-136.5 72.5 33.3 -5.4 85 90 A D G 3 S+ 0 0 178 1,-0.3 -1,-0.3 3,-0.0 -5,-0.1 0.626 127.3 74.7 -71.4 -14.3 69.5 35.5 -4.7 86 91 A G G < + 0 0 61 -3,-1.8 2,-0.4 -6,-0.1 -1,-0.3 0.437 64.9 126.4 -79.5 1.7 69.1 33.8 -1.3 87 95 A L < - 0 0 32 -3,-1.2 2,-0.9 -4,-0.1 3,-0.1 -0.474 43.7-164.4 -66.4 118.1 72.1 35.7 0.1 88 96 A K >> - 0 0 112 -2,-0.4 3,-2.0 1,-0.2 4,-0.9 -0.758 5.0-173.3-105.0 85.8 71.0 37.5 3.3 89 97 A S T 34 S+ 0 0 61 -2,-0.9 3,-0.4 1,-0.3 -1,-0.2 0.776 80.4 64.6 -48.6 -31.7 73.8 40.0 3.9 90 98 A E T 34 S+ 0 0 126 1,-0.2 -1,-0.3 -3,-0.1 175,-0.2 0.810 115.5 27.0 -63.1 -34.2 72.3 40.9 7.3 91 99 A T T <4 S+ 0 0 7 -3,-2.0 168,-2.9 174,-0.1 2,-0.5 0.327 102.2 94.0-114.2 8.9 72.9 37.4 8.7 92 100 A T E < -B 258 0B 8 -4,-0.9 2,-0.4 -3,-0.4 166,-0.2 -0.894 50.8-166.2-110.6 123.1 75.9 36.2 6.7 93 101 A A E -B 257 0B 0 164,-2.6 164,-3.0 -2,-0.5 2,-0.4 -0.843 12.1-162.6-101.1 141.6 79.4 36.6 8.0 94 102 A T E -B 256 0B 15 -2,-0.4 2,-0.4 162,-0.2 162,-0.2 -0.960 12.0-175.1-130.5 146.0 82.3 36.0 5.5 95 103 A L E -B 255 0B 0 160,-1.7 160,-2.7 -2,-0.4 2,-0.2 -0.965 22.1-135.8-142.3 120.4 86.0 35.3 5.9 96 104 A A E -B 254 0B 4 -27,-2.5 2,-0.3 -2,-0.4 158,-0.3 -0.561 36.4-172.9 -72.0 137.2 88.6 35.0 3.1 97 105 A T E -B 253 0B 4 156,-2.3 156,-1.9 -2,-0.2 2,-1.7 -0.811 38.3 -92.6-130.8 171.5 90.8 32.0 3.8 98 106 A V E > S-B 252 0B 0 -2,-0.3 4,-1.3 154,-0.2 154,-0.3 -0.652 93.2 -52.9 -83.9 82.4 94.0 30.2 2.6 99 107 A G H > S- 0 0 0 -2,-1.7 4,-1.7 152,-0.8 154,-0.4 0.038 82.3 -61.6 71.9 175.1 92.1 27.9 0.2 100 108 A G H > S+ 0 0 7 152,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.855 135.6 59.9 -62.6 -34.3 89.2 25.7 1.1 101 109 A T H > S+ 0 0 10 569,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.884 104.5 49.6 -61.2 -39.2 91.4 23.8 3.6 102 110 A G H X S+ 0 0 2 -4,-1.3 4,-2.5 568,-0.4 -1,-0.2 0.894 110.0 51.0 -66.3 -39.2 91.9 27.1 5.5 103 111 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.929 111.5 48.2 -62.9 -43.5 88.1 27.7 5.4 104 112 A L H X S+ 0 0 5 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.938 111.6 48.6 -61.6 -49.6 87.6 24.1 6.8 105 113 A R H X S+ 0 0 10 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.902 114.3 46.2 -58.3 -44.5 90.2 24.6 9.6 106 114 A Q H X S+ 0 0 6 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.917 108.4 55.2 -66.3 -42.1 88.7 28.0 10.6 107 115 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.924 110.3 47.7 -55.6 -44.5 85.1 26.6 10.5 108 116 A L H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.855 111.7 48.9 -63.8 -40.8 86.3 23.9 13.0 109 117 A E H X S+ 0 0 12 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.887 112.4 49.5 -67.5 -39.9 88.0 26.5 15.2 110 118 A L H X S+ 0 0 0 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.957 112.2 46.2 -64.0 -51.6 84.9 28.7 15.2 111 119 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 3,-0.3 0.917 113.2 48.7 -58.5 -46.2 82.5 25.8 16.1 112 120 A R H < S+ 0 0 81 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170.8 -71.6 125.2 103.8 30.8 -15.7 451 66 B T + 0 0 119 -2,-0.4 2,-0.3 1,-0.1 -406,-0.3 0.487 64.1 26.2-108.6 -10.1 101.9 28.1 -17.6 452 67 B T - 0 0 31 -408,-0.1 -1,-0.1 2,-0.1 -407,-0.1 -0.972 47.0-158.6-151.0 161.6 100.0 26.4 -14.7 453 68 B K + 0 0 7 -410,-0.5 -204,-2.7 -2,-0.3 -203,-0.3 -0.000 46.5 141.1-130.8 26.2 98.7 27.1 -11.2 454 69 B T - 0 0 26 -411,-0.3 -205,-0.1 -206,-0.2 -2,-0.1 -0.076 66.5 -67.9 -63.1 170.3 98.5 23.5 -10.0 455 70 B Y - 0 0 66 -207,-0.1 -1,-0.2 1,-0.1 -206,-0.1 -0.297 60.0-178.4 -60.6 143.8 99.5 22.6 -6.4 456 71 B A - 0 0 33 1,-0.2 2,-0.3 217,-0.2 -1,-0.1 -0.022 42.2 -14.7-118.7-138.1 103.2 23.0 -5.7 457 72 B G > - 0 0 26 1,-0.1 3,-0.8 -2,-0.1 -1,-0.2 -0.563 43.5-148.3 -78.5 135.5 105.4 22.4 -2.7 458 73 B L T 3 S+ 0 0 15 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.767 105.0 38.2 -68.0 -28.5 103.8 21.9 0.7 459 74 B S T 3 S- 0 0 21 1,-0.5 27,-2.4 26,-0.1 -1,-0.3 0.333 128.2 -93.3-102.8 4.0 106.8 23.5 2.4 460 75 B G < - 0 0 9 -3,-0.8 -1,-0.5 25,-0.2 -2,-0.1 -0.390 58.6 -47.9 104.8 171.2 107.2 26.2 -0.3 461 76 B E > - 0 0 32 -2,-0.1 4,-2.6 1,-0.1 3,-0.2 -0.589 43.1-127.6 -82.6 143.0 109.4 26.2 -3.4 462 77 B P H > S+ 0 0 89 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.886 110.8 56.5 -51.9 -44.4 113.1 25.2 -3.3 463 78 B E H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.923 110.5 43.4 -55.1 -49.4 114.0 28.5 -5.0 464 79 B F H > S+ 0 0 2 -3,-0.2 4,-2.5 1,-0.2 5,-0.3 0.941 113.8 50.4 -63.5 -49.2 112.2 30.5 -2.3 465 80 B Q H X S+ 0 0 37 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.901 115.0 42.8 -56.7 -46.2 113.6 28.5 0.5 466 81 B K H X S+ 0 0 122 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.958 114.0 48.5 -67.7 -52.8 117.2 28.8 -0.7 467 82 B A H X S+ 0 0 6 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.914 115.0 46.4 -53.9 -46.8 117.2 32.5 -1.7 468 83 B M H X S+ 0 0 4 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.896 109.8 53.2 -64.0 -42.7 115.6 33.4 1.7 469 84 B G H X S+ 0 0 1 -4,-2.0 4,-2.5 -5,-0.3 5,-0.4 0.910 113.1 44.9 -59.9 -39.5 118.1 31.2 3.6 470 85 B E H X S+ 0 0 87 -4,-2.5 4,-1.5 3,-0.2 -2,-0.2 0.880 109.6 54.5 -71.5 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20.0 5.8 481 99 B T G < S+ 0 0 15 -3,-1.8 168,-3.4 174,-0.1 2,-0.5 0.207 103.9 92.5-124.0 12.6 121.0 21.2 9.2 482 100 B T E < -K 648 0F 5 -3,-1.4 2,-0.4 -4,-0.3 166,-0.2 -0.940 51.8-165.5-116.6 126.2 118.4 23.8 8.1 483 101 B A E -K 647 0F 0 164,-2.4 164,-2.9 -2,-0.5 2,-0.4 -0.897 12.8-161.0-104.9 137.0 114.7 23.1 7.6 484 102 B T E -K 646 0F 13 -2,-0.4 2,-0.4 162,-0.2 162,-0.2 -0.971 11.0-175.9-125.7 138.9 112.7 25.8 5.8 485 103 B L E -K 645 0F 0 160,-2.4 160,-2.8 -2,-0.4 2,-0.3 -0.978 20.4-139.2-136.9 119.2 109.0 26.4 5.6 486 104 B A E -K 644 0F 4 -27,-2.4 158,-0.3 -2,-0.4 2,-0.2 -0.587 34.5-174.1 -72.8 137.5 107.2 29.1 3.5 487 105 B T E -K 643 0F 3 156,-2.6 2,-1.6 -2,-0.3 156,-1.1 -0.756 39.1 -90.0-130.9 174.3 104.4 30.7 5.5 488 106 B V S > S- 0 0 0 -2,-0.2 4,-1.4 154,-0.2 154,-0.3 -0.691 93.6 -54.0 -85.7 81.3 101.5 33.1 5.3 489 107 B G H > S- 0 0 0 -2,-1.6 4,-1.4 152,-0.4 154,-0.4 0.018 80.4 -62.3 74.0 178.8 103.6 36.2 6.1 490 108 B G H > S+ 0 0 8 152,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.834 135.2 57.8 -68.6 -33.9 105.9 36.7 9.1 491 109 B T H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.930 105.9 49.8 -62.3 -42.4 102.9 36.4 11.5 492 110 B G H X S+ 0 0 2 -4,-1.4 4,-2.5 -212,-0.3 -1,-0.2 0.878 108.6 54.3 -62.4 -35.3 102.2 33.0 10.0 493 111 B A H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.880 108.7 48.0 -65.1 -40.1 105.9 32.2 10.6 494 112 B L H X S+ 0 0 6 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.963 112.5 47.0 -65.2 -52.8 105.7 33.1 14.3 495 113 B R H X S+ 0 0 11 -4,-2.5 4,-2.1 1,-0.3 -2,-0.2 0.929 113.8 48.2 -54.7 -48.4 102.5 31.1 14.9 496 114 B Q H X S+ 0 0 6 -4,-2.5 4,-2.0 1,-0.2 -1,-0.3 0.826 109.4 55.2 -63.1 -30.4 104.0 28.1 13.1 497 115 B A H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.903 108.4 47.0 -68.5 -42.4 107.2 28.6 15.2 498 116 B L H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.857 112.0 50.2 -68.5 -36.4 105.2 28.4 18.4 499 117 B E H X S+ 0 0 15 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.898 110.9 49.1 -68.4 -43.0 103.3 25.3 17.3 500 118 B L H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.947 114.0 45.9 -61.3 -48.7 106.6 23.5 16.3 501 119 B A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.905 111.6 50.8 -61.9 -45.3 108.2 24.4 19.6 502 120 B R H < S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.811 106.6 55.4 -64.5 -32.0 105.2 23.3 21.7 503 121 B M H < S+ 0 0 65 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.899 114.3 40.1 -65.7 -40.1 105.0 20.0 19.9 504 122 B A H < S+ 0 0 6 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.688 133.2 23.9 -80.3 -23.1 108.7 19.4 20.9 505 123 B N >< - 0 0 30 -4,-1.7 3,-2.1 -5,-0.2 -1,-0.3 -0.674 61.4-175.1-147.6 89.1 108.1 20.8 24.4 506 124 B P T 3 S+ 0 0 95 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.729 89.5 51.3 -55.3 -24.1 104.5 20.8 25.7 507 125 B D T 3 S+ 0 0 137 22,-0.1 -5,-0.1 2,-0.0 22,-0.0 0.129 80.3 139.6-103.7 22.1 105.8 22.7 28.8 508 126 B L < - 0 0 3 -3,-2.1 2,-0.3 -6,-0.1 52,-0.2 -0.247 34.7-158.2 -68.3 151.6 107.6 25.5 27.1 509 129 B R - 0 0 84 50,-0.2 52,-2.7 20,-0.1 2,-0.5 -0.914 11.1-136.5-123.5 152.9 107.4 29.1 28.3 510 133 B V E -lm 531 561F 0 20,-2.8 22,-2.7 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-3,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.963 107.8 38.4 -67.0 -50.7 103.3 38.4 19.9 521 144 B V H X S+ 0 0 46 -4,-0.7 4,-2.8 -3,-0.4 5,-0.2 0.849 110.8 58.4 -70.2 -36.6 101.4 38.2 23.2 522 145 B S H X S+ 0 0 34 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.943 109.3 45.1 -60.6 -45.4 97.9 37.9 21.7 523 146 B I H X S+ 0 0 2 -4,-1.5 4,-2.6 1,-0.2 5,-0.2 0.928 113.6 49.3 -64.0 -45.5 99.0 34.8 19.7 524 147 B M H X>S+ 0 0 2 -4,-1.8 5,-2.7 2,-0.2 4,-1.3 0.906 112.0 49.0 -61.0 -41.6 100.7 33.2 22.7 525 148 B N H ><5S+ 0 0 102 -4,-2.8 3,-0.6 3,-0.2 -2,-0.2 0.951 110.1 51.6 -62.4 -48.6 97.6 33.9 24.9 526 149 B F H 3<5S+ 0 0 58 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.918 112.3 45.5 -53.4 -48.0 95.4 32.4 22.3 527 150 B M H 3<5S- 0 0 18 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.718 115.0-120.3 -70.0 -20.3 97.6 29.2 22.2 528 151 B G T <<5 + 0 0 58 -4,-1.3 -3,-0.2 -3,-0.6 -2,-0.1 0.794 55.8 156.7 84.4 31.4 97.6 29.2 26.0 529 152 B L < - 0 0 11 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.2 -0.724 47.4-112.3 -93.5 138.0 101.4 29.5 26.4 530 154 B P - 0 0 52 0, 0.0 -20,-2.8 0, 0.0 2,-0.5 -0.543 34.6-155.7 -69.2 125.9 103.0 30.9 29.6 531 155 B V E -l 510 0F 40 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.923 14.6-178.2-114.8 122.5 104.6 34.3 28.9 532 156 B Q E -l 511 0F 55 -22,-2.7 -20,-2.5 -2,-0.5 2,-0.4 -0.788 18.4-141.0-108.2 154.5 107.5 35.8 30.9 533 157 B T E -l 512 0F 87 -2,-0.3 2,-0.4 -22,-0.3 -20,-0.2 -0.899 6.3-152.5-120.2 146.1 108.9 39.2 30.1 534 158 B Y E -l 513 0F 2 -22,-2.3 -20,-1.7 -2,-0.4 15,-0.2 -0.918 31.0-101.8-115.9 145.0 112.5 40.4 30.2 535 159 B R E +l 514 0F 111 13,-0.4 18,-0.1 -2,-0.4 3,-0.1 -0.403 58.7 140.2 -62.4 137.7 113.6 44.0 30.8 536 160 B Y + 0 0 10 -22,-0.9 9,-3.1 1,-0.4 2,-0.3 0.415 46.3 64.7-144.2 -58.4 114.6 45.6 27.5 537 161 B F E -Q 544 0G 30 -23,-2.4 2,-0.8 7,-0.2 -1,-0.4 -0.619 61.0-150.2 -85.0 136.6 113.5 49.3 27.2 538 162 B D E >> -Q 543 0G 37 5,-2.8 4,-2.5 -2,-0.3 5,-0.5 -0.880 5.3-163.3-105.4 100.1 114.9 51.9 29.5 539 163 B A T 45S+ 0 0 76 -2,-0.8 -1,-0.1 1,-0.2 5,-0.0 0.760 86.8 50.8 -53.5 -31.4 112.2 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114.0 57.6 6.9 706 331 B L H X S+ 0 0 50 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.889 107.5 51.3 -61.1 -39.3 117.4 58.2 8.6 707 332 B R H X S+ 0 0 153 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.918 107.9 52.8 -63.2 -44.2 117.4 61.7 7.2 708 333 B L H X S+ 0 0 26 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.906 105.3 53.9 -58.9 -44.2 113.8 62.2 8.5 709 334 B R H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.923 110.2 46.8 -57.5 -46.9 114.9 61.2 12.0 710 335 B E H X S+ 0 0 122 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.895 111.6 51.5 -62.6 -40.6 117.7 63.7 12.1 711 336 B Q H X S+ 0 0 56 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.955 111.7 46.8 -60.3 -50.3 115.3 66.4 10.8 712 337 B L H X S+ 0 0 8 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.896 111.9 50.5 -58.7 -44.6 112.8 65.6 13.5 713 338 B A H X S+ 0 0 19 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.948 113.2 46.1 -60.0 -47.8 115.5 65.6 16.2 714 339 B G H X S+ 0 0 31 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.933 111.1 50.8 -60.6 -50.0 116.8 69.0 15.0 715 340 B E H X S+ 0 0 68 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.938 112.8 46.7 -53.3 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-1,-0.2 0.908 108.8 51.6 -59.2 -46.3 94.7 61.1 22.8 747 372 B R H X>S+ 0 0 105 -4,-2.3 4,-0.9 1,-0.2 5,-0.5 0.935 106.4 56.9 -57.1 -44.9 94.6 64.9 23.0 748 373 B I H >X5S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 6,-0.8 0.904 112.8 38.4 -52.6 -50.0 97.0 65.0 20.1 749 374 B K H 3X5S+ 0 0 37 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.918 109.5 59.2 -71.9 -43.0 94.8 62.9 17.7 750 375 B E H 3<5S+ 0 0 137 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.580 127.8 12.0 -65.1 -10.2 91.4 64.3 18.7 751 376 B E H <<5S+ 0 0 127 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.599 130.5 45.1-134.5 -39.2 92.4 67.9 17.7 752 377 B F H <> -S 761 0H 16 4,-1.6 3,-2.4 -336,-0.5 4,-0.7 -0.226 47.4-104.8 -55.4 143.4 99.8 54.3 18.7 758 383 B G T 34 S+ 0 0 48 1,-0.3 -13,-0.2 2,-0.2 -1,-0.1 0.670 120.0 58.9 -41.3 -30.9 98.6 54.6 22.3 759 384 B D T 34 S- 0 0 53 -14,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.183 125.5 -99.8 -88.7 17.5 102.0 54.0 23.7 760 385 B S T <4 + 0 0 3 -3,-2.4 -22,-2.0 1,-0.3 2,-0.4 0.723 69.5 158.1 70.7 26.3 103.4 57.0 21.8 761 386 B R E < -RS 737 757H 5 -4,-0.7 -4,-1.6 -24,-0.2 2,-0.4 -0.690 20.1-168.3 -82.5 129.0 104.8 54.8 19.0 762 387 B I E -R 736 0H 1 -26,-2.6 2,-1.0 -2,-0.4 -26,-0.9 -0.938 24.2-134.7-121.2 142.1 105.3 56.8 15.8 763 388 B N E > -R 735 0H 0 -342,-1.2 3,-2.4 -2,-0.4 -28,-0.2 -0.848 16.7-162.2 -92.4 102.4 106.1 55.6 12.3 764 389 B I G > S+ 0 0 4 -30,-1.8 3,-2.2 -2,-1.0 -1,-0.2 0.787 85.7 71.3 -58.5 -25.5 108.8 58.1 11.3 765 390 B A G 3 S+ 0 0 4 -31,-0.6 -1,-0.3 1,-0.3 -338,-0.1 0.657 87.8 66.8 -64.1 -14.3 108.2 57.1 7.7 766 391 B G G < S+ 0 0 15 -3,-2.4 -1,-0.3 -345,-0.1 -2,-0.2 0.511 90.2 82.5 -84.0 -6.3 104.9 59.0 8.1 767 392 B L < + 0 0 11 -3,-2.2 2,-0.3 -4,-0.2 -336,-0.1 -0.451 49.9 166.4 -95.9 169.7 106.7 62.3 8.4 768 393 B N > - 0 0 36 -2,-0.1 4,-2.7 -60,-0.1 -2,-0.0 -0.938 55.4 -72.4-164.7 177.9 108.2 64.8 5.9 769 394 B D T 4 S+ 0 0 107 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.831 129.2 43.4 -50.8 -39.7 109.5 68.4 5.7 770 395 B N T > S+ 0 0 115 1,-0.1 4,-0.8 2,-0.1 -1,-0.2 0.962 119.5 38.5 -72.7 -55.6 106.0 69.8 6.0 771 396 B T H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.706 100.9 74.3 -72.3 -23.0 104.6 67.6 8.8 772 397 B I H X S+ 0 0 2 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.957 99.8 41.0 -58.3 -56.7 107.8 67.4 10.9 773 398 B P H > S+ 0 0 40 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.895 114.9 54.8 -60.3 -34.9 107.7 71.0 12.4 774 399 B I H X S+ 0 0 96 -4,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.940 111.8 42.9 -60.7 -48.7 103.9 70.6 12.8 775 400 B L H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.963 113.0 52.9 -60.5 -53.4 104.5 67.4 14.9 776 401 B A H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.901 113.3 43.2 -48.5 -50.1 107.4 68.9 16.8 777 402 B R H X S+ 0 0 124 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.913 110.4 57.4 -64.5 -42.3 105.2 71.9 17.7 778 403 B A H X S+ 0 0 5 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.870 106.6 47.2 -57.9 -41.2 102.3 69.6 18.5 779 404 B I H < S+ 0 0 15 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.830 110.3 54.4 -71.6 -29.3 104.2 67.6 21.1 780 405 B I H >< S+ 0 0 55 -4,-1.4 3,-1.0 -5,-0.3 -2,-0.2 0.946 109.5 46.6 -66.8 -46.6 105.5 70.9 22.6 781 406 B E H 3< S+ 0 0 106 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.804 108.5 54.7 -65.3 -32.2 101.9 72.1 23.0 782 407 B V T 3< S+ 0 0 11 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.618 92.2 178.0 -76.3 -12.1 100.8 68.8 24.5 783 408 B G < 0 0 37 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 -0.089 360.0 360.0 49.4-139.9 103.7 69.4 27.0 784 409 B V 0 0 172 -3,-0.1 -1,-0.1 -44,-0.1 -44,-0.0 -0.849 360.0 360.0 178.1 360.0 104.2 66.8 29.8