==== 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 HYDROLASE 04-AUG-02 1MBZ . COMPND 2 MOLECULE: BETA-LACTAM SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CLAVULIGERUS; . AUTHOR M.T.MILLER,B.O.BACHMANN,C.A.TOWNSEND,A.C.ROSENZWEIG . 990 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 671 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 58 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 278 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 3 2 3 3 2 2 3 1 3 1 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 5 1 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 0 PARALLEL BRIDGES PER LADDER . 4 3 1 3 9 3 0 0 2 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 . 1 1 0 2 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 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 3 A A 0 0 6 0, 0.0 235,-0.1 0, 0.0 229,-0.0 0.000 360.0 360.0 360.0 176.0 -12.4 103.7 81.1 2 4 A P + 0 0 83 0, 0.0 228,-0.2 0, 0.0 231,-0.1 0.197 360.0 67.4 -47.6 173.2 -15.9 103.8 82.7 3 5 A V + 0 0 81 46,-0.1 227,-0.1 1,-0.1 3,-0.1 0.974 58.8 172.8 68.7 87.3 -19.3 103.5 80.9 4 6 A L - 0 0 3 1,-0.2 -1,-0.1 45,-0.1 330,-0.1 -0.662 43.2 -69.3-113.4 169.2 -19.6 100.1 79.5 5 7 A P - 0 0 4 0, 0.0 42,-0.4 0, 0.0 -1,-0.2 -0.175 46.2-112.1 -58.4 157.2 -22.6 98.5 77.9 6 8 A A S S+ 0 0 8 65,-0.5 2,-0.3 1,-0.2 49,-0.2 0.733 101.1 13.0 -63.2 -22.5 -25.6 97.7 80.1 7 9 A A - 0 0 0 64,-0.3 64,-2.3 39,-0.1 39,-0.2 -0.978 53.8-159.5-156.6 143.6 -24.9 94.0 79.6 8 10 A F S S- 0 0 4 37,-2.2 2,-0.2 -2,-0.3 38,-0.2 0.798 75.6 -31.9 -90.4 -37.5 -22.0 91.9 78.2 9 11 A G E -A 45 0A 0 36,-1.5 36,-1.4 60,-0.1 2,-0.3 -0.849 59.8-159.9-161.4-164.8 -24.0 88.7 77.5 10 12 A F E -A 44 0A 0 -2,-0.2 140,-1.8 34,-0.2 2,-0.4 -0.979 20.1-131.6-179.7 169.7 -26.9 86.6 78.7 11 13 A L E +AB 43 149A 35 32,-1.9 32,-3.2 -2,-0.3 2,-0.3 -0.963 35.4 171.0-139.8 115.5 -28.8 83.3 78.9 12 14 A A E -AB 42 148A 2 136,-2.4 136,-2.3 -2,-0.4 2,-0.3 -0.830 11.2-171.5-125.7 164.5 -32.5 83.4 78.1 13 15 A S E -AB 41 147A 25 28,-2.4 28,-1.6 -2,-0.3 2,-0.4 -0.988 14.9-156.5-152.8 157.2 -35.3 81.0 77.6 14 16 A A E + B 0 146A 1 132,-1.2 132,-1.2 -2,-0.3 2,-0.4 -0.911 25.0 175.7-137.9 105.0 -39.0 80.9 76.5 15 17 A R E - B 0 145A 71 24,-0.4 130,-0.2 -2,-0.4 129,-0.1 -0.893 35.7-150.9-118.3 148.6 -40.9 77.9 77.7 16 18 A T 0 0 102 128,-1.2 -1,-0.1 -2,-0.4 129,-0.1 0.575 360.0 360.0 -84.3 -13.7 -44.6 76.9 77.4 17 19 A G 0 0 87 127,-0.3 -1,-0.2 20,-0.1 21,-0.1 -0.498 360.0 360.0-102.8 360.0 -44.1 75.1 80.7 18 ! 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 19 25 A G 0 0 123 0, 0.0 2,-0.2 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0 104.2 -27.4 78.9 87.3 20 26 A P - 0 0 23 0, 0.0 2,-0.5 0, 0.0 134,-0.1 -0.509 360.0-150.2 -78.7 149.1 -25.4 79.8 84.2 21 27 A V - 0 0 106 -2,-0.2 2,-0.2 132,-0.1 459,-0.0 -0.978 20.3-177.9-120.8 118.4 -21.6 79.8 84.2 22 28 A F - 0 0 17 -2,-0.5 284,-0.1 2,-0.2 129,-0.0 -0.657 38.3-138.6-114.6 169.5 -19.9 82.2 81.8 23 29 A A S S+ 0 0 5 -2,-0.2 2,-0.2 282,-0.1 -1,-0.1 0.679 86.5 94.6 -91.5 -28.0 -16.3 83.0 80.8 24 30 A T S S- 0 0 7 282,-0.1 2,-0.3 358,-0.1 357,-0.3 -0.469 78.2-138.4 -63.9 130.4 -17.5 86.6 80.8 25 31 A R + 0 0 138 355,-2.9 2,-0.3 -2,-0.2 358,-0.1 -0.747 52.7 82.4 -93.4 143.3 -16.6 88.0 84.2 26 32 A G S S- 0 0 31 -2,-0.3 21,-0.2 21,-0.1 2,-0.2 -0.970 75.0 -48.5 157.9-171.0 -19.2 90.2 85.9 27 33 A S E -C 46 0A 39 19,-4.2 19,-2.7 -2,-0.3 2,-0.4 -0.496 45.4-137.7 -89.4 165.4 -22.4 90.4 88.0 28 34 A H E -C 45 0A 85 17,-0.2 2,-0.4 -2,-0.2 17,-0.2 -0.969 17.7-177.7-126.0 141.4 -25.6 88.4 87.2 29 35 A T E -C 44 0A 53 15,-1.9 15,-2.5 -2,-0.4 2,-0.5 -0.960 18.3-146.4-142.8 116.9 -29.1 89.7 87.3 30 36 A D E -C 43 0A 111 -2,-0.4 13,-0.2 13,-0.2 2,-0.1 -0.760 27.9-129.7 -83.5 126.7 -32.1 87.6 86.7 31 37 A I - 0 0 20 11,-2.1 11,-0.4 -2,-0.5 -1,-0.0 -0.449 28.2 -96.4 -74.8 152.9 -34.7 89.8 85.0 32 38 A D - 0 0 127 -2,-0.1 -1,-0.1 9,-0.1 8,-0.1 -0.144 23.6-143.2 -65.1 163.4 -38.3 89.8 86.4 33 39 A T > + 0 0 60 1,-0.2 3,-3.2 6,-0.1 6,-0.1 -0.609 18.3 179.4-132.6 74.5 -41.0 87.7 84.8 34 40 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.868 91.2 30.9 -39.0 -61.1 -44.3 89.7 84.9 35 41 A Q T > S- 0 0 72 1,-0.3 3,-2.1 3,-0.1 4,-0.2 0.061 101.0-161.1 -90.1 26.2 -46.4 87.0 83.3 36 42 A G G X S+ 0 0 28 -3,-3.2 3,-2.8 1,-0.3 -1,-0.3 0.003 72.1 29.3 36.6-111.4 -44.1 84.5 84.9 37 43 A E G 3 S+ 0 0 143 1,-0.3 -22,-0.4 -3,-0.1 -1,-0.3 0.806 127.6 44.7 -42.3 -43.6 -44.4 81.1 83.2 38 44 A R G < S+ 0 0 116 -3,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.197 100.8 91.6 -93.3 17.2 -45.3 82.7 79.8 39 45 A S S < S- 0 0 6 -3,-2.8 2,-0.8 -4,-0.2 -24,-0.4 -0.506 87.3 -91.8-105.7 177.0 -42.6 85.4 80.0 40 46 A L - 0 0 2 -2,-0.2 2,-0.3 80,-0.1 -26,-0.2 -0.797 40.6-161.3 -91.7 110.8 -39.0 85.7 78.8 41 47 A A E +A 13 0A 37 -28,-1.6 -28,-2.4 -2,-0.8 2,-0.3 -0.642 19.1 163.0 -86.9 147.8 -36.7 84.5 81.5 42 48 A A E -A 12 0A 7 -11,-0.4 -11,-2.1 -2,-0.3 2,-0.5 -0.943 34.0-143.6-166.9 142.7 -33.1 85.5 81.3 43 49 A T E -AC 11 30A 14 -32,-3.2 -32,-1.9 -2,-0.3 2,-0.4 -0.957 25.1-153.4-109.0 125.3 -29.9 85.8 83.4 44 50 A L E -AC 10 29A 0 -15,-2.5 -15,-1.9 -2,-0.5 2,-0.5 -0.821 4.8-156.9-101.2 140.0 -27.8 88.8 82.5 45 51 A V E +AC 9 28A 0 -36,-1.4 -37,-2.2 -2,-0.4 -36,-1.5 -0.965 33.3 139.8-113.2 130.7 -24.0 89.0 83.0 46 52 A H E - C 0 27A 6 -19,-2.7 -19,-4.2 -2,-0.5 -39,-0.1 -0.973 53.0 -59.4-160.8 173.1 -22.6 92.5 83.2 47 53 A A > - 0 0 0 -42,-0.4 3,-1.5 -2,-0.3 -21,-0.1 -0.225 42.7-127.6 -58.9 145.8 -20.1 94.9 84.9 48 54 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 0.761 111.0 54.2 -67.7 -20.5 -20.6 95.3 88.7 49 55 A S T 3 S+ 0 0 87 2,-0.1 2,-0.3 -22,-0.0 -46,-0.1 0.198 95.2 89.9 -96.6 15.1 -20.7 99.1 88.1 50 56 A V S < S- 0 0 18 -3,-1.5 -44,-0.1 -44,-0.1 -4,-0.1 -0.871 72.1-131.9-116.1 147.0 -23.5 98.9 85.5 51 57 A A > - 0 0 44 -2,-0.3 3,-0.9 1,-0.1 4,-0.2 -0.858 14.2-150.7 -98.4 107.5 -27.3 99.1 85.9 52 58 A P G > S+ 0 0 23 0, 0.0 3,-3.1 0, 0.0 4,-0.3 0.702 78.1 92.3 -45.8 -29.2 -28.7 96.2 83.8 53 59 A D G > S+ 0 0 106 1,-0.3 3,-3.6 2,-0.2 38,-0.1 0.847 77.1 56.5 -32.7 -65.3 -31.9 98.2 83.2 54 60 A R G < S+ 0 0 92 -3,-0.9 39,-1.3 1,-0.3 40,-0.4 0.626 103.4 57.6 -48.9 -17.4 -30.7 99.8 80.0 55 61 A A G < S+ 0 0 1 -3,-3.1 14,-2.6 -49,-0.2 2,-0.4 0.405 102.2 63.1 -96.2 0.6 -30.2 96.3 78.6 56 62 A V E < +G 68 0B 25 -3,-3.6 2,-0.3 -4,-0.3 12,-0.2 -0.988 58.0 172.3-129.6 136.8 -33.8 95.2 79.2 57 63 A A E -G 67 0B 7 10,-2.3 10,-3.5 -2,-0.4 2,-0.3 -0.996 7.5-168.9-142.3 144.2 -37.0 96.7 77.7 58 64 A R E +G 66 0B 87 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.872 10.4 163.0-131.2 164.0 -40.6 95.6 77.8 59 65 A S E -G 65 0B 21 6,-2.5 6,-2.5 -2,-0.3 -2,-0.0 -0.981 40.7-138.1-168.4 171.7 -43.8 96.5 76.0 60 66 A L + 0 0 149 -2,-0.3 2,-0.6 4,-0.2 -1,-0.1 0.243 61.6 127.5-120.0 1.1 -47.4 95.6 75.2 61 67 A T S S- 0 0 70 1,-0.3 2,-0.1 4,-0.1 -2,-0.0 -0.534 92.8 -9.1 -67.4 114.6 -47.1 96.7 71.5 62 68 A G S S- 0 0 82 -2,-0.6 -1,-0.3 3,-0.0 59,-0.1 -0.183 139.3 -32.0 95.0 -48.2 -48.3 93.8 69.5 63 69 A A S S- 0 0 26 -2,-0.1 -4,-0.1 59,-0.1 -2,-0.0 -0.920 100.4 -38.0-179.0 174.1 -48.4 91.5 72.6 64 70 A P S S- 0 0 64 0, 0.0 58,-2.3 0, 0.0 2,-0.4 -0.415 73.2-175.3 -61.4 122.4 -46.7 91.0 75.9 65 71 A T E -GH 59 121B 10 -6,-2.5 -6,-2.5 56,-0.2 2,-0.4 -0.994 20.0-178.8-130.1 133.2 -43.1 91.8 74.8 66 72 A T E -GH 58 120B 3 54,-2.4 54,-2.5 -2,-0.4 2,-0.4 -0.988 8.7-165.2-128.4 137.8 -39.8 91.6 76.6 67 73 A A E -GH 57 119B 0 -10,-3.5 -10,-2.3 -2,-0.4 2,-0.4 -0.983 6.8-172.8-130.5 130.4 -36.4 92.5 75.1 68 74 A V E -GH 56 118B 0 50,-2.5 50,-2.1 -2,-0.4 2,-0.4 -0.975 9.6-173.0-120.2 131.0 -32.8 91.7 76.3 69 75 A L E - H 0 117B 2 -14,-2.6 2,-0.5 -2,-0.4 48,-0.2 -0.973 12.1-162.0-133.3 125.4 -29.8 93.2 74.6 70 76 A A E + H 0 116B 0 46,-3.1 46,-1.7 -2,-0.4 2,-0.3 -0.878 65.4 7.4-101.4 125.0 -26.1 92.5 75.2 71 77 A G E S- H 0 115B 4 -64,-2.3 -65,-0.5 -2,-0.5 -64,-0.3 -0.788 85.3 -77.3 111.1-153.9 -23.7 95.2 73.8 72 78 A E E - H 0 114B 10 42,-2.6 42,-2.8 -2,-0.3 2,-0.4 -0.982 20.6-125.0-154.7 161.9 -24.4 98.6 72.3 73 79 A I E - H 0 113B 0 -2,-0.3 40,-0.3 40,-0.2 3,-0.2 -0.887 11.4-168.9-111.6 142.4 -25.5 100.5 69.2 74 80 A Y S S+ 0 0 13 38,-2.6 2,-0.6 -2,-0.4 3,-0.3 0.711 78.9 61.0-103.8 -25.5 -23.4 103.3 67.5 75 81 A N > + 0 0 3 37,-1.4 4,-2.4 1,-0.2 5,-0.2 -0.345 62.8 137.6-100.8 55.6 -25.7 104.9 65.1 76 82 A R H > + 0 0 106 -2,-0.6 4,-3.0 -3,-0.2 5,-0.3 0.937 66.4 52.5 -64.2 -51.5 -28.2 106.0 67.7 77 83 A D H > S+ 0 0 128 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.908 112.8 47.2 -54.2 -42.8 -29.0 109.5 66.3 78 84 A E H >> S+ 0 0 47 2,-0.2 3,-1.8 1,-0.2 4,-0.7 0.995 113.8 44.8 -61.6 -62.2 -29.7 108.0 63.0 79 85 A L H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.3 4,-0.3 0.846 112.8 53.9 -50.7 -35.1 -32.0 105.2 64.3 80 86 A L H >< S+ 0 0 61 -4,-3.0 3,-0.7 1,-0.2 -1,-0.3 0.754 99.2 63.6 -72.2 -24.1 -33.6 107.8 66.5 81 87 A S H << S+ 0 0 73 -3,-1.8 -1,-0.2 -4,-1.2 -2,-0.2 0.647 98.5 53.5 -76.4 -14.6 -34.4 110.1 63.5 82 88 A V T << S+ 0 0 13 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.519 97.8 82.6 -97.0 -4.5 -36.7 107.5 61.9 83 89 A L S < S- 0 0 24 -3,-0.7 2,-2.7 -4,-0.3 16,-0.1 -0.543 101.4 -88.6 -98.1 161.2 -38.8 107.2 65.0 84 90 A P - 0 0 105 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 -0.428 59.0-131.6 -67.9 79.4 -41.7 109.4 66.2 85 91 A A S S+ 0 0 96 -2,-2.7 -4,-0.1 -5,-0.2 -5,-0.0 0.146 74.1 67.2 -32.7 140.1 -39.3 111.7 68.2 86 92 A G S S+ 0 0 63 0, 0.0 2,-3.1 0, 0.0 -1,-0.2 -0.761 83.0 57.7 146.1 -93.9 -40.4 112.4 71.7 87 93 A P S S- 0 0 107 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.319 78.2-161.1 -70.3 66.5 -40.3 109.5 74.2 88 94 A A - 0 0 73 -2,-3.1 7,-0.0 1,-0.1 -3,-0.0 -0.181 23.0-109.3 -49.4 134.0 -36.6 108.8 73.6 89 95 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.329 14.5-132.4 -66.6 154.3 -35.8 105.3 74.8 90 96 A E S S- 0 0 135 -3,-0.1 2,-0.3 1,-0.1 -36,-0.1 0.491 80.8 -3.2 -85.4 -4.7 -33.7 105.0 77.9 91 97 A G S > S- 0 0 11 1,-0.1 4,-2.1 -38,-0.1 -36,-0.1 -0.977 81.5 -82.8-169.6 179.8 -31.4 102.5 76.3 92 98 A D H > S+ 0 0 13 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.844 121.0 55.2 -66.8 -36.1 -30.4 100.3 73.3 93 99 A A H > S+ 0 0 1 -39,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.916 112.9 42.0 -64.7 -42.8 -32.8 97.5 74.3 94 100 A E H > S+ 0 0 46 -40,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.855 112.1 55.7 -72.3 -32.8 -35.7 100.0 74.3 95 101 A L H X S+ 0 0 4 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.943 107.7 48.9 -60.9 -47.6 -34.4 101.6 71.2 96 102 A V H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.906 110.6 50.8 -57.5 -45.2 -34.5 98.1 69.5 97 103 A L H X S+ 0 0 3 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.942 108.4 50.7 -60.9 -48.7 -38.1 97.6 70.7 98 104 A R H X S+ 0 0 55 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.867 112.8 48.1 -57.5 -36.6 -39.2 101.0 69.4 99 105 A L H >X>S+ 0 0 1 -4,-2.0 4,-2.9 1,-0.2 3,-1.1 0.898 106.6 55.4 -71.4 -40.2 -37.6 100.1 66.0 100 106 A L H 3X5S+ 0 0 20 -4,-2.5 4,-0.8 1,-0.3 -1,-0.2 0.754 101.6 59.2 -63.2 -26.8 -39.2 96.6 65.9 101 107 A E H 3<5S+ 0 0 76 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.763 116.0 34.3 -75.1 -20.6 -42.6 98.2 66.3 102 108 A R H <<5S+ 0 0 73 -3,-1.1 755,-0.3 -4,-0.5 -2,-0.2 0.872 136.4 15.6 -99.5 -44.2 -42.0 100.2 63.1 103 109 A Y H ><5S- 0 0 0 -4,-2.9 3,-1.7 1,-0.3 -3,-0.2 0.365 88.6-150.5-111.5 -0.2 -39.9 97.9 60.7 104 110 A D G >< S+ 0 0 7 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.718 130.1 74.5 -55.0 -17.2 -37.6 92.2 62.0 106 112 A H G X S+ 0 0 4 -3,-1.7 3,-2.3 1,-0.2 4,-0.3 0.670 72.7 85.1 -69.9 -13.4 -36.3 94.6 59.2 107 113 A A G X> S+ 0 0 2 -3,-2.9 3,-2.1 1,-0.3 4,-0.8 0.846 79.0 64.5 -54.4 -35.6 -35.2 97.0 61.9 108 114 A F G <4 S+ 0 0 8 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.627 87.8 68.2 -66.0 -13.3 -32.0 95.0 62.2 109 115 A R G <4 S+ 0 0 10 -3,-2.3 599,-2.0 1,-0.2 -1,-0.3 0.657 103.5 47.4 -77.8 -14.0 -31.1 96.0 58.7 110 116 A L T <4 S+ 0 0 3 -3,-2.1 2,-0.3 -4,-0.3 -2,-0.2 0.698 87.8 103.2 -97.3 -24.3 -30.8 99.5 60.1 111 117 A V < - 0 0 3 -4,-0.8 2,-0.6 -32,-0.0 20,-0.4 -0.453 44.3-172.1 -74.6 127.9 -28.6 98.9 63.2 112 118 A N + 0 0 0 -2,-0.3 -38,-2.6 18,-0.1 -37,-1.4 -0.958 45.6 95.4-112.3 106.8 -25.0 99.7 63.2 113 119 A G E S-H 73 0B 2 -2,-0.6 2,-0.4 -40,-0.3 -40,-0.2 -0.927 76.7 -95.2-168.0-167.7 -23.5 98.3 66.4 114 120 A R E S+H 72 0B 5 -42,-2.8 -42,-2.6 -2,-0.3 2,-0.3 -0.864 73.1 118.3-130.5 87.3 -21.8 95.6 68.4 115 121 A F E -H 71 0B 1 -2,-0.4 15,-1.1 -44,-0.3 20,-0.4 -0.932 48.3-155.4-150.6 173.9 -24.7 93.7 69.9 116 122 A A E +HI 70 129B 0 -46,-1.7 -46,-3.1 -2,-0.3 2,-0.3 -0.953 27.0 178.0-151.3 132.6 -26.6 90.4 70.4 117 123 A T E -HI 69 128B 1 11,-2.1 11,-2.2 -2,-0.3 2,-0.4 -0.978 21.0-163.8-144.3 156.1 -30.3 90.4 71.3 118 124 A V E -HI 68 127B 2 -50,-2.1 -50,-2.5 -2,-0.3 2,-0.3 -0.991 15.3-175.4-137.0 138.1 -33.3 88.2 72.0 119 125 A V E -HI 67 126B 2 7,-2.3 7,-3.0 -2,-0.4 2,-0.4 -0.990 10.1-161.3-136.8 143.3 -36.9 89.3 72.1 120 126 A R E +HI 66 125B 8 -54,-2.5 -54,-2.4 -2,-0.3 2,-0.4 -0.993 12.8 170.1-126.5 132.4 -40.1 87.6 72.9 121 127 A T E > -HI 65 124B 27 3,-2.6 3,-1.9 -2,-0.4 -56,-0.2 -0.922 69.5 -43.0-140.3 110.9 -43.5 88.9 71.9 122 128 A G T 3 S- 0 0 22 -58,-2.3 -59,-0.1 -2,-0.4 -60,-0.0 -0.468 121.6 -28.2 67.0-133.8 -46.4 86.5 72.4 123 129 A D T 3 S+ 0 0 62 -2,-0.2 65,-3.1 -3,-0.1 66,-0.5 0.102 119.1 103.3-100.5 21.2 -45.3 83.1 71.3 124 130 A R E < -IJ 121 187B 59 -3,-1.9 -3,-2.6 63,-0.2 2,-0.5 -0.890 53.7-165.2-105.7 133.1 -42.9 84.7 68.8 125 131 A V E -IJ 120 186B 2 61,-3.3 61,-2.5 -2,-0.4 2,-0.4 -0.971 1.1-162.0-123.7 125.1 -39.2 84.7 69.5 126 132 A L E -IJ 119 185B 6 -7,-3.0 -7,-2.3 -2,-0.5 2,-0.4 -0.876 4.9-173.4-107.7 136.0 -36.6 86.9 67.7 127 133 A L E +IJ 118 184B 0 57,-1.3 57,-2.6 -2,-0.4 2,-0.3 -0.987 14.6 170.2-126.5 122.2 -32.9 86.3 67.7 128 134 A A E -IJ 117 183B 0 -11,-2.2 -11,-2.1 -2,-0.4 2,-0.3 -0.948 18.0-169.0-137.4 157.6 -30.5 88.8 66.1 129 135 A T E -I 116 0B 2 53,-1.6 -13,-0.2 -2,-0.3 53,-0.2 -0.829 36.5 -95.0-130.2 166.8 -26.8 89.7 65.7 130 136 A D > - 0 0 1 -15,-1.1 51,-2.9 -2,-0.3 3,-1.0 -0.279 54.9 -84.1 -78.3 171.9 -25.0 92.8 64.3 131 137 A H T 3 S+ 0 0 7 -20,-0.4 -1,-0.1 1,-0.3 68,-0.1 0.791 130.9 34.2 -48.0 -32.0 -23.8 92.9 60.7 132 138 A A T 3 S- 0 0 8 48,-0.2 -1,-0.3 259,-0.1 48,-0.2 0.583 101.8-123.9-101.4 -11.7 -20.6 91.1 61.7 133 139 A G < + 0 0 11 -3,-1.0 237,-0.2 -18,-0.1 241,-0.1 0.914 51.5 158.8 68.7 42.5 -21.8 88.8 64.5 134 140 A S + 0 0 10 1,-0.2 -18,-0.1 -19,-0.1 -1,-0.1 0.494 65.7 56.0 -78.5 -2.9 -19.2 90.3 66.8 135 141 A V S S- 0 0 2 -20,-0.4 -1,-0.2 240,-0.2 -5,-0.1 -0.756 97.1-131.7-129.2 83.7 -21.1 89.2 69.8 136 142 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.055 25.3-169.4 -33.9 135.6 -21.5 85.4 69.3 137 143 A L - 0 0 0 41,-0.3 41,-3.2 -4,-0.1 13,-0.2 -0.968 3.8-174.6-139.7 122.1 -25.1 84.3 69.8 138 144 A Y E -DE 149 177A 0 11,-3.8 11,-1.9 -2,-0.4 2,-0.3 -0.678 2.9-163.7-113.5 166.0 -26.2 80.6 70.1 139 145 A T E -DE 148 176A 0 37,-2.3 37,-2.2 -2,-0.2 2,-0.6 -0.984 22.3-156.6-158.9 144.3 -29.5 78.9 70.4 140 146 A C E -D 147 0A 2 7,-2.6 7,-2.5 -2,-0.3 2,-0.6 -0.957 25.5-170.1-114.9 105.4 -31.4 75.6 71.3 141 147 A V E +D 146 0A 1 -2,-0.6 20,-2.6 20,-0.4 5,-0.2 -0.892 16.2 155.4-107.5 121.3 -34.7 75.5 69.4 142 148 A A E > -D 145 0A 15 3,-3.3 3,-3.1 -2,-0.6 49,-0.2 -0.986 57.9 -84.4-137.5 143.2 -37.3 72.9 70.3 143 149 A P T 3 S+ 0 0 72 0, 0.0 46,-0.2 0, 0.0 47,-0.1 -0.301 122.2 6.2 -50.7 116.6 -41.1 73.0 69.9 144 150 A G T 3 S+ 0 0 9 44,-2.0 -128,-1.2 43,-0.2 2,-0.4 0.144 123.9 75.4 94.2 -19.5 -42.1 74.8 73.0 145 151 A E E < +BD 15 142A 62 -3,-3.1 -3,-3.3 -130,-0.2 2,-0.4 -0.985 47.7 172.4-131.5 128.8 -38.6 75.6 74.2 146 152 A V E -BD 14 141A 3 -132,-1.2 -132,-1.2 -2,-0.4 2,-0.5 -0.938 7.5-173.2-136.7 113.6 -36.1 78.2 73.0 147 153 A R E -BD 13 140A 32 -7,-2.5 -7,-2.6 -2,-0.4 2,-0.3 -0.919 3.9-171.8-110.0 130.9 -32.9 78.8 74.8 148 154 A A E +BD 12 139A 1 -136,-2.3 -136,-2.4 -2,-0.5 2,-0.3 -0.900 9.4 166.4-118.0 148.5 -30.6 81.7 73.7 149 155 A S E -BD 11 138A 0 -11,-1.9 -11,-3.8 -2,-0.3 -138,-0.2 -0.976 40.8-139.8-159.4 148.9 -27.1 82.4 75.0 150 156 A T S S+ 0 0 6 -140,-1.8 2,-0.4 -2,-0.3 -139,-0.1 0.362 98.7 51.7 -90.8 5.5 -24.1 84.6 74.0 151 157 A E S >> S- 0 0 1 -141,-0.3 3,-1.3 -13,-0.1 4,-0.6 -0.971 70.1-150.9-143.7 123.3 -21.9 81.6 74.9 152 158 A A H >> S+ 0 0 0 -2,-0.4 4,-0.8 1,-0.3 3,-0.7 0.785 94.6 71.2 -64.6 -25.2 -22.3 78.1 73.6 153 159 A K H 34 S+ 0 0 27 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.790 94.5 53.9 -62.2 -26.4 -20.8 76.8 76.8 154 160 A A H <4 S+ 0 0 28 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.781 111.7 44.2 -78.1 -25.4 -24.0 77.8 78.7 155 161 A L H << S+ 0 0 4 -3,-0.7 2,-2.3 -4,-0.6 -2,-0.2 0.452 82.6 108.0 -96.0 -3.0 -26.1 75.8 76.2 156 162 A A < + 0 0 34 -4,-0.8 2,-0.3 321,-0.2 -1,-0.1 -0.271 66.5 68.4 -76.2 50.3 -23.8 72.7 76.2 157 163 A A 0 0 78 -2,-2.3 15,-0.0 16,-0.1 321,-0.0 -0.881 360.0 360.0-155.6 154.2 -26.1 70.5 78.2 158 164 A H 0 0 166 -2,-0.3 -2,-0.0 2,-0.0 -3,-0.0 -0.370 360.0 360.0-156.8 360.0 -29.5 68.8 77.6 159 ! 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 0.0 160 169 A G 0 0 32 0, 0.0 -18,-0.2 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 177.9 -32.9 70.9 70.4 161 170 A F - 0 0 120 -20,-2.6 -20,-0.4 13,-0.2 2,-0.1 -0.765 360.0 -84.5-113.4 160.6 -33.8 70.3 66.8 162 171 A P - 0 0 103 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.405 40.8-158.0 -66.8 136.9 -31.9 71.0 63.6 163 172 A L > - 0 0 17 3,-0.2 3,-0.5 -2,-0.1 2,-0.2 -0.959 12.9-129.5-117.5 134.6 -32.3 74.6 62.2 164 173 A A T 3 S+ 0 0 72 -2,-0.4 3,-0.1 29,-0.3 31,-0.1 -0.528 88.1 29.3 -83.7 150.9 -31.6 75.4 58.6 165 174 A D T 3 S+ 0 0 122 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.850 105.8 93.0 70.8 35.0 -29.3 78.3 57.6 166 175 A A S < S- 0 0 20 -3,-0.5 -1,-0.2 12,-0.1 -3,-0.2 -0.934 71.4-126.9-159.8 134.0 -27.4 77.9 60.8 167 176 A R - 0 0 71 10,-0.5 10,-1.8 -2,-0.3 2,-0.2 -0.498 24.3-119.4 -82.6 150.1 -24.2 76.0 61.6 168 177 A R B -F 176 0A 184 8,-0.2 2,-0.3 -2,-0.2 8,-0.2 -0.608 30.9-108.4 -87.4 150.8 -23.9 73.5 64.5 169 178 A V - 0 0 13 6,-2.6 6,-0.2 -2,-0.2 -1,-0.1 -0.647 47.0 -92.6 -80.9 133.3 -21.4 74.1 67.2 170 179 A A S S- 0 0 33 -2,-0.3 2,-2.3 1,-0.2 -1,-0.1 -0.133 102.3 -6.5 -47.1 133.5 -18.5 71.7 67.1 171 180 A G S S+ 0 0 57 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 -0.259 110.1 102.4 76.0 -54.0 -19.0 68.6 69.2 172 181 A L - 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0 0 3 -197,-1.3 3,-3.2 1,-0.1 4,-0.5 -0.466 29.8-110.1 -69.5 140.1 -11.0 98.6 44.2 404 413 A A H >> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 3,-1.5 0.744 114.5 70.7 -39.9 -34.7 -7.8 96.6 44.7 405 414 A G H 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.577 99.0 48.9 -64.8 -7.9 -5.8 99.4 43.2 406 415 A L H <4 S+ 0 0 1 -3,-3.2 10,-2.2 3,-0.1 -1,-0.3 0.495 111.9 48.2-104.6 -12.3 -6.5 101.6 46.2 407 416 A K H << S+ 0 0 1 -3,-1.5 8,-2.8 -4,-0.5 2,-0.8 0.891 120.4 34.9 -90.2 -52.7 -5.5 98.8 48.7 408 417 A R S < S+ 0 0 40 -4,-2.6 -1,-0.3 5,-0.2 2,-0.3 -0.900 89.9 133.9-104.2 103.9 -2.2 97.9 46.9 409 418 A R B > +S 412 0F 64 3,-2.0 3,-2.2 -2,-0.8 6,-0.1 -0.996 54.8 14.4-152.9 150.8 -0.8 101.1 45.6 410 419 A H T 3 S- 0 0 123 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.884 127.2 -59.6 51.9 43.7 2.5 103.1 45.4 411 420 A G T 3 S+ 0 0 54 1,-0.2 2,-0.3 -59,-0.1 -1,-0.3 0.515 118.5 103.3 66.5 4.3 4.5 100.0 46.5 412 421 A R B < -S 409 0F 97 -3,-2.2 -3,-2.0 -60,-0.0 3,-0.5 -0.835 64.0-133.0-118.5 155.3 2.5 99.8 49.8 413 422 A D S S+ 0 0 24 -2,-0.3 -5,-0.2 -5,-0.2 5,-0.2 -0.596 92.0 20.9 -97.8 168.1 -0.3 97.6 51.0 414 423 A K S >> S+ 0 0 4 -69,-0.4 4,-1.9 -2,-0.2 3,-1.1 0.729 83.7 162.8 47.3 22.5 -3.5 98.8 52.7 415 424 A W H 3> + 0 0 27 -8,-2.8 4,-3.1 -3,-0.5 5,-0.3 0.823 60.0 58.1 -36.1 -59.2 -2.4 102.1 51.0 416 425 A V H 3> S+ 0 0 0 -10,-2.2 4,-1.7 1,-0.3 -1,-0.3 0.886 111.0 43.5 -45.3 -47.4 -5.7 103.9 51.3 417 426 A L H <> S+ 0 0 0 -3,-1.1 4,-1.0 2,-0.2 -1,-0.3 0.912 111.3 54.0 -67.7 -41.4 -5.6 103.6 55.1 418 427 A R H >X S+ 0 0 4 -4,-1.9 3,-1.0 1,-0.2 4,-0.5 0.951 111.8 45.0 -57.8 -46.2 -1.9 104.5 55.3 419 428 A A H >< S+ 0 0 29 -4,-3.1 3,-0.7 1,-0.2 4,-0.3 0.827 105.1 63.3 -68.4 -28.3 -2.6 107.7 53.4 420 429 A A H 3< S+ 0 0 3 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.703 113.0 34.0 -68.2 -20.2 -5.7 108.4 55.5 421 430 A M H XX S+ 0 0 0 -3,-1.0 3,-2.0 -4,-1.0 4,-1.0 0.344 83.8 108.1-116.5 6.7 -3.6 108.7 58.6 422 431 A A T << S+ 0 0 56 -3,-0.7 -2,-0.1 -4,-0.5 -1,-0.1 0.707 78.8 53.2 -58.3 -22.3 -0.4 110.2 57.1 423 432 A D T 34 S+ 0 0 130 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.228 113.7 40.4 -98.3 13.4 -1.1 113.7 58.7 424 433 A A T <4 S+ 0 0 20 -3,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.396 112.4 51.0-135.6 -3.9 -1.5 112.4 62.2 425 434 A L S < S- 0 0 7 -4,-1.0 -1,-0.2 -143,-0.0 -147,-0.1 -0.945 89.8 -91.0-135.8 155.5 1.2 109.7 62.5 426 435 A P >> - 0 0 24 0, 0.0 4,-2.4 0, 0.0 3,-0.7 -0.345 35.5-117.5 -67.4 148.2 5.0 109.6 61.8 427 436 A A H 3> S+ 0 0 72 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.816 115.0 57.8 -51.9 -38.9 6.1 108.5 58.4 428 437 A E H 34 S+ 0 0 131 2,-0.2 -1,-0.3 1,-0.2 4,-0.0 0.900 111.5 43.9 -61.7 -38.8 7.9 105.5 59.8 429 438 A T H X4 S+ 0 0 4 -3,-0.7 3,-2.0 2,-0.2 -2,-0.2 0.971 110.2 52.1 -68.9 -56.4 4.6 104.4 61.3 430 439 A V H 3< S+ 0 0 8 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.853 120.2 35.8 -49.0 -41.3 2.4 105.1 58.2 431 440 A N T 3< S+ 0 0 66 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.186 84.1 131.8-100.3 13.4 4.8 103.0 56.0 432 441 A R < - 0 0 29 -3,-2.0 -189,-0.4 -191,-0.1 3,-0.1 -0.539 64.6-108.9 -71.3 127.1 5.7 100.3 58.5 433 442 A P - 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -190,-0.0 -0.125 42.1 -87.9 -54.2 148.7 5.3 96.9 57.0 434 443 A K + 0 0 28 -192,-0.1 2,-0.3 -3,-0.1 -192,-0.0 -0.304 48.8 179.6 -61.4 138.9 2.5 94.7 58.1 435 444 A L - 0 0 58 -3,-0.1 -193,-0.1 5,-0.0 -87,-0.1 -0.875 23.2-129.6-146.7 111.9 3.3 92.5 61.2 436 445 A G >> - 0 0 3 -2,-0.3 4,-3.0 1,-0.1 3,-1.3 -0.191 17.2-126.3 -59.9 148.2 0.8 90.1 62.8 437 446 A V T 34 S+ 0 0 43 1,-0.3 6,-0.2 2,-0.2 -1,-0.1 0.856 117.1 51.3 -60.3 -34.7 0.3 90.3 66.6 438 447 A H T 34>S+ 0 0 19 2,-0.1 6,-1.5 1,-0.1 5,-1.4 0.554 113.6 45.3 -79.0 -10.7 1.1 86.6 66.6 439 448 A E T X45S+ 0 0 72 -3,-1.3 3,-0.8 3,-0.2 -2,-0.2 0.857 108.4 51.8 -96.4 -51.3 4.3 87.3 64.5 440 449 A G T 3<5S+ 0 0 7 -4,-3.0 -174,-0.2 1,-0.3 -2,-0.1 0.367 119.3 39.1 -69.8 6.9 5.8 90.3 66.4 441 450 A S T 3 5S- 0 0 2 -5,-0.2 -172,-0.4 -176,-0.1 -173,-0.4 0.453 108.5-118.4-129.7 -13.2 5.4 88.3 69.6 442 451 A G T <>5 + 0 0 5 -3,-0.8 4,-1.7 -174,-0.1 -3,-0.2 0.856 65.2 139.7 76.2 35.5 6.5 84.8 68.5 443 452 A T H > S+ 0 0 39 -6,-1.5 4,-1.7 2,-0.2 -1,-0.1 0.890 118.0 46.1 -60.7 -44.1 3.1 80.9 66.2 445 454 A S H > S+ 0 0 86 -7,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.967 115.4 46.1 -64.9 -52.0 6.8 80.1 66.4 446 455 A S H X S+ 0 0 14 -4,-1.7 4,-1.2 2,-0.3 5,-0.3 0.881 109.7 53.4 -57.6 -43.5 6.7 79.3 70.1 447 456 A F H X S+ 0 0 2 -4,-2.7 4,-0.9 1,-0.3 -1,-0.3 0.861 104.2 57.6 -64.9 -35.4 3.5 77.2 69.8 448 457 A S H X S+ 0 0 27 -4,-1.7 4,-1.6 -5,-0.2 5,-0.4 0.898 103.2 54.9 -73.3 -5.4 5.4 75.2 67.1 449 458 A R H X S+ 0 0 144 -4,-1.2 4,-5.7 1,-0.2 5,-0.3 0.911 100.8 55.6 -87.5 -48.6 8.3 74.3 69.7 450 459 A L H < S+ 0 0 25 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.888 115.6 40.9 -44.7 -18.1 6.1 72.8 72.4 451 460 A L H >< S+ 0 0 0 -4,-0.9 3,-2.9 -5,-0.3 4,-0.5 0.997 116.2 44.1 -91.5 -61.4 4.9 70.6 69.8 452 461 A L H >< S+ 0 0 42 -4,-1.6 3,-1.2 1,-0.3 -2,-0.2 0.885 110.7 59.8 -57.0 -32.6 8.1 69.8 68.0 453 462 A D T 3< S+ 0 0 107 -4,-5.7 -1,-0.3 -5,-0.4 -2,-0.2 0.345 105.6 49.3 -77.2 6.3 9.6 69.4 71.5 454 463 A H T < S- 0 0 44 -3,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.293 128.0 -90.9-123.3 1.4 7.1 66.6 72.1 455 464 A G S < S+ 0 0 57 -3,-1.2 -3,-0.1 -4,-0.5 -4,-0.1 -0.351 80.0 130.7 122.0 -55.1 7.7 64.7 68.9 456 465 A V - 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0 0 7 -5,-2.2 2,-0.4 -52,-0.1 -1,-0.3 -0.611 54.4-134.8 -93.4 150.8 -34.3 99.7 18.6 888 394 B W E -i 837 0J 1 -52,-2.4 -50,-2.9 -2,-0.2 2,-0.4 -0.838 21.5-165.9-102.0 140.7 -31.9 99.8 21.6 889 395 B T E +i 838 0J 1 -2,-0.4 2,-0.3 -52,-0.2 -50,-0.2 -0.970 10.4 176.7-129.3 145.4 -33.3 100.1 25.1 890 396 B T E -i 839 0J 0 -52,-1.6 -50,-1.9 -2,-0.4 -12,-0.0 -0.987 18.5-146.2-144.7 146.8 -31.7 101.0 28.4 891 397 B H > - 0 0 11 -2,-0.3 3,-1.8 -52,-0.2 -50,-0.1 -0.848 6.7-170.5-122.5 94.6 -33.2 101.4 31.9 892 398 B P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 6,-0.2 0.763 82.7 67.4 -55.1 -28.1 -31.6 104.0 34.1 893 399 B Y G 3 S+ 0 0 2 -53,-0.4 9,-0.1 -51,-0.3 -50,-0.1 0.790 101.3 49.7 -66.9 -22.9 -33.5 103.0 37.3 894 400 B W G < S+ 0 0 9 -3,-1.8 -1,-0.3 -52,-0.2 2,-0.2 -0.040 79.9 128.8-104.3 31.6 -31.6 99.7 37.2 895 401 B D S <> S- 0 0 1 -3,-1.6 4,-3.3 1,-0.1 5,-0.3 -0.526 71.7-115.1 -76.6 152.1 -28.2 101.4 36.9 896 402 B R H > S+ 0 0 13 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.924 113.3 43.8 -60.9 -45.4 -25.9 100.0 39.6 897 403 B E H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.967 119.9 41.4 -64.6 -51.4 -25.5 103.3 41.5 898 404 B V H > S+ 0 0 2 -6,-0.2 4,-2.9 -175,-0.2 -2,-0.2 0.913 116.4 50.0 -61.4 -44.8 -29.2 104.2 41.3 899 405 B L H X S+ 0 0 0 -4,-3.3 4,-2.4 2,-0.2 5,-0.3 0.932 110.9 47.9 -61.4 -47.1 -30.2 100.6 42.1 900 406 B D H X S+ 0 0 48 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.921 113.8 48.9 -59.3 -45.6 -27.9 100.3 45.1 901 407 B L H X S+ 0 0 34 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.957 110.9 48.7 -60.3 -53.4 -29.2 103.6 46.4 902 408 B L H >< S+ 0 0 2 -4,-2.9 3,-0.6 1,-0.2 -2,-0.2 0.946 113.8 43.8 -56.3 -52.1 -32.8 102.8 46.0 903 409 B V H 3< S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.911 110.0 58.5 -62.4 -37.1 -32.7 99.4 47.7 904 410 B S H 3< S+ 0 0 23 -4,-2.1 -195,-2.7 -5,-0.3 -1,-0.2 0.814 82.4 103.9 -60.3 -33.6 -30.5 100.8 50.5 905 411 B L B << S-e 709 0I 0 -4,-1.6 -195,-0.1 -3,-0.6 2,-0.1 -0.215 82.1-105.3 -56.8 139.3 -33.1 103.4 51.5 906 412 B E > - 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0 0 29 0, 0.0 4,-1.9 0, 0.0 3,-1.6 -0.348 38.8-115.8 -63.0 147.0 -46.1 119.3 37.4 930 436 B A H 3> S+ 0 0 70 1,-0.3 4,-1.1 2,-0.2 5,-0.1 0.860 114.8 65.3 -48.4 -40.5 -47.6 118.5 40.8 931 437 B E H 34 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.821 107.4 40.0 -51.0 -39.9 -50.3 116.4 38.9 932 438 B T H X4 S+ 0 0 0 -3,-1.6 3,-2.3 2,-0.2 -186,-0.2 0.940 109.7 55.5 -78.0 -53.6 -47.6 114.0 37.8 933 439 B V H 3< S+ 0 0 10 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.638 115.4 43.3 -57.5 -11.0 -45.5 113.8 40.9 934 440 B N T 3< S+ 0 0 76 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.371 79.0 124.8-115.2 3.0 -48.7 112.8 42.7 935 441 B R < - 0 0 50 -3,-2.3 -189,-0.5 -191,-0.2 -3,-0.1 -0.502 60.4-131.6 -67.5 109.6 -50.1 110.3 40.2 936 442 B P - 0 0 91 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.365 17.4-121.8 -64.1 147.5 -50.7 107.1 42.0 937 443 B K 0 0 76 -87,-0.1 -86,-0.1 1,-0.1 -21,-0.0 0.075 360.0 360.0 -75.5 173.2 -49.4 103.9 40.5 938 444 B L 0 0 102 -88,-0.0 -1,-0.1 0, 0.0 -87,-0.0 -0.368 360.0 360.0 -64.5 360.0 -51.7 100.9 39.7 939 ! 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 0.0 940 453 B T 0 0 126 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-116.2 -59.7 92.4 34.1 941 454 B S > - 0 0 50 1,-0.1 4,-3.5 3,-0.1 5,-0.1 0.098 360.0-112.6 -46.1 159.9 -56.5 92.4 31.9 942 455 B S H > S+ 0 0 34 2,-0.2 4,-3.1 1,-0.2 5,-0.1 0.883 121.1 51.7 -64.6 -38.1 -56.8 91.9 28.1 943 456 B F H > S+ 0 0 2 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.961 113.7 41.6 -63.9 -51.1 -55.0 88.6 28.6 944 457 B S H > S+ 0 0 12 1,-0.2 4,-4.4 2,-0.2 3,-0.4 0.949 114.1 55.1 -57.7 -49.6 -57.4 87.5 31.3 945 458 B R H X S+ 0 0 111 -4,-3.5 4,-2.4 1,-0.2 5,-0.4 0.939 103.0 54.8 -46.8 -58.0 -60.2 88.9 29.2 946 459 B L H X S+ 0 0 43 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.857 119.1 32.8 -48.7 -43.6 -59.2 86.8 26.2 947 460 B L H X S+ 0 0 0 -4,-1.6 4,-1.8 -3,-0.4 -1,-0.2 0.917 118.4 51.9 -79.0 -46.8 -59.4 83.6 28.2 948 461 B L H < S+ 0 0 45 -4,-4.4 -2,-0.2 1,-0.2 -3,-0.2 0.681 114.1 47.0 -62.4 -18.5 -62.2 84.7 30.5 949 462 B D H < S+ 0 0 114 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.775 107.5 54.3 -89.8 -36.3 -64.0 85.5 27.2 950 463 B H H < S- 0 0 78 -4,-1.2 -2,-0.2 -5,-0.4 -3,-0.1 0.747 129.6 -97.3 -68.1 -24.6 -63.1 82.2 25.6 951 464 B G < + 0 0 56 -4,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.815 65.6 151.6 104.0 77.8 -64.7 80.6 28.7 952 465 B V - 0 0 13 -5,-0.1 -1,-0.2 -4,-0.1 5,-0.1 -0.998 50.9 -94.8-137.5 139.3 -62.3 79.6 31.5 953 466 B A > - 0 0 38 -2,-0.4 3,-2.2 1,-0.2 4,-0.2 -0.217 26.6-129.9 -53.5 133.8 -63.0 79.4 35.3 954 467 B E G > S+ 0 0 138 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.773 113.0 53.5 -56.1 -25.0 -62.1 82.5 37.2 955 468 B D G 3 S+ 0 0 131 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.600 112.8 43.0 -85.4 -11.1 -60.2 80.1 39.5 956 469 B R G <> S+ 0 0 112 -3,-2.2 4,-1.0 2,-0.1 -1,-0.2 0.064 84.7 100.1-121.6 22.5 -58.3 78.5 36.6 957 470 B V H <> S+ 0 0 7 -3,-0.6 4,-1.4 2,-0.2 3,-0.4 0.965 79.1 48.8 -74.1 -55.2 -57.4 81.7 34.7 958 471 B H H > S+ 0 0 74 -4,-0.3 4,-2.1 1,-0.3 3,-0.2 0.860 111.6 51.3 -54.5 -39.3 -53.8 82.2 35.7 959 472 B E H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.867 103.5 58.4 -67.1 -35.4 -53.0 78.6 35.0 960 473 B A H X S+ 0 0 0 -4,-1.0 4,-1.6 -3,-0.4 -1,-0.2 0.827 107.7 49.2 -61.2 -31.0 -54.6 78.9 31.6 961 474 B K H X S+ 0 0 10 -4,-1.4 4,-2.7 -3,-0.2 5,-0.4 0.945 105.3 54.3 -73.7 -50.2 -52.0 81.6 31.0 962 475 B R H X S+ 0 0 112 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.888 110.6 48.2 -50.5 -43.7 -49.0 79.6 32.2 963 476 B Q H X S+ 0 0 39 -4,-2.1 4,-3.2 2,-0.2 -1,-0.2 0.929 111.1 49.8 -64.7 -45.7 -49.9 76.9 29.7 964 477 B V H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.958 113.7 43.9 -56.0 -56.4 -50.3 79.3 26.8 965 478 B V H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.879 114.1 52.9 -57.5 -39.0 -47.0 81.1 27.4 966 479 B R H X S+ 0 0 103 -4,-2.1 4,-2.5 -5,-0.4 -2,-0.2 0.944 111.0 45.6 -61.7 -48.8 -45.5 77.6 27.9 967 480 B E H X S+ 0 0 59 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.886 111.0 51.6 -62.4 -43.3 -46.9 76.4 24.5 968 481 B L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.4 0.811 110.7 52.4 -64.1 -30.0 -45.8 79.6 22.7 969 482 B F H X>S+ 0 0 0 -4,-1.5 5,-1.9 -5,-0.3 4,-1.7 0.983 105.9 49.2 -69.0 -59.2 -42.3 78.9 24.2 970 483 B D H <>S+ 0 0 60 -4,-2.5 5,-0.8 1,-0.2 -1,-0.2 0.725 116.7 47.9 -53.1 -22.4 -42.0 75.3 23.0 971 484 B L H <5S+ 0 0 35 -4,-1.1 6,-1.5 3,-0.2 -1,-0.2 0.909 124.3 22.1 -85.8 -47.1 -43.0 76.6 19.6 972 485 B T H <5S+ 0 0 2 -4,-2.2 4,-0.5 3,-0.2 -3,-0.2 0.910 134.8 28.4 -88.9 -51.9 -40.8 79.7 19.1 973 486 B V T <5S+ 0 0 3 -4,-1.7 -3,-0.2 -5,-0.4 -317,-0.1 0.905 136.6 26.2 -80.0 -43.3 -37.8 79.2 21.4 974 487 B G T - 0 0 66 -3,-0.1 3,-2.0 1,-0.1 -1,-0.1 -0.749 16.2-119.1 -99.4 145.7 -41.3 82.1 14.1 979 492 B P G > S+ 0 0 6 0, 0.0 3,-1.4 0, 0.0 -174,-0.1 0.786 108.2 69.6 -50.1 -32.7 -44.0 84.2 15.8 980 493 B S G 3 S+ 0 0 86 1,-0.3 -3,-0.0 -176,-0.1 3,-0.0 0.378 103.8 43.6 -70.4 5.3 -45.5 85.3 12.5 981 494 B E G < S+ 0 0 132 -3,-2.0 2,-0.6 2,-0.0 -1,-0.3 -0.018 83.7 108.5-141.3 34.0 -46.7 81.7 11.9 982 495 B V < - 0 0 16 -3,-1.4 2,-1.8 -5,-0.1 3,-0.1 -0.922 63.8-139.2-118.2 104.5 -48.2 80.7 15.3 983 496 B D >> - 0 0 94 -2,-0.6 4,-1.6 1,-0.2 3,-0.5 -0.414 19.4-173.5 -65.3 86.4 -52.0 80.5 15.4 984 497 B T H 3> S+ 0 0 23 -2,-1.8 4,-2.7 1,-0.3 5,-0.2 0.804 83.5 56.3 -52.9 -31.4 -52.4 82.1 18.8 985 498 B D H 3> S+ 0 0 102 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.915 102.3 53.6 -68.3 -42.8 -56.1 81.2 18.6 986 499 B D H <> S+ 0 0 96 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.852 113.4 46.8 -58.6 -33.4 -55.3 77.5 18.1 987 500 B V H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.992 115.1 40.5 -71.4 -65.9 -53.3 77.8 21.3 988 501 B V H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.3 -2,-0.2 0.911 115.3 52.1 -50.8 -49.0 -55.7 79.7 23.5 989 502 B R H X S+ 0 0 170 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.3 0.911 112.9 47.3 -56.9 -40.2 -58.7 77.6 22.3 990 503 B S H >X S+ 0 0 49 -4,-1.2 4,-1.6 -5,-0.3 3,-0.7 0.992 109.4 48.1 -64.8 -64.4 -56.7 74.4 23.1 991 504 B V H 3< S+ 0 0 1 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.868 109.7 58.3 -44.5 -38.3 -55.4 75.3 26.6 992 505 B A H >< S+ 0 0 13 -4,-2.2 3,-2.1 -5,-0.3 -1,-0.3 0.938 102.2 51.7 -57.7 -48.8 -59.1 76.3 27.3 993 506 B D H << S+ 0 0 131 -4,-1.6 -1,-0.2 -3,-0.7 -2,-0.2 0.789 103.8 57.9 -59.3 -31.6 -60.3 72.8 26.4 994 507 B R T 3< 0 0 160 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.416 360.0 360.0 -79.4 2.4 -57.8 71.2 28.8 995 508 B T < 0 0 53 -3,-2.1 -2,-0.2 -5,-0.2 -3,-0.1 0.734 360.0 360.0-116.1 360.0 -59.5 73.3 31.5