==== 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 03-JUL-09 3I4X . COMPND 2 MOLECULE: TRYPTOPHAN DIMETHYLALLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS FUMIGATUS; . AUTHOR C.SCHALL,G.ZOCHER,T.STEHLE . 850 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 590 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 16.9 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 40 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 271 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 2 2 6 2 0 1 1 4 4 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 2 4 4 2 4 4 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 . 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 236 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.0 51.3 105.5 25.4 2 2 A K - 0 0 208 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.168 360.0-142.8 -47.8 138.0 48.2 105.9 23.0 3 3 A A - 0 0 77 1,-0.1 -1,-0.1 382,-0.1 375,-0.0 -0.704 22.2 -81.7-111.0 159.5 47.3 102.5 21.5 4 4 A A - 0 0 46 -2,-0.2 2,-0.4 374,-0.0 -1,-0.1 -0.259 41.7-163.7 -55.3 143.9 46.0 101.3 18.1 5 5 A N > - 0 0 29 1,-0.1 3,-2.9 378,-0.1 4,-0.2 -0.973 20.8-145.0-141.7 114.4 42.3 101.7 17.6 6 6 A A G > S+ 0 0 0 376,-2.6 3,-2.1 -2,-0.4 6,-0.2 0.770 96.9 73.3 -53.7 -26.7 40.5 100.0 14.8 7 7 A S G 3 S+ 0 0 7 375,-0.3 -1,-0.3 1,-0.3 376,-0.1 0.598 89.0 61.9 -65.2 -7.0 38.2 103.0 14.4 8 8 A S G < + 0 0 72 -3,-2.9 -1,-0.3 4,-0.1 -2,-0.2 0.563 69.9 128.6 -93.2 -5.1 41.2 104.8 12.8 9 9 A A <> - 0 0 1 -3,-2.1 4,-2.1 -4,-0.2 5,-0.2 -0.274 58.9-139.9 -54.6 126.2 41.3 102.3 9.9 10 10 A E H > S+ 0 0 123 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.884 97.4 51.8 -64.1 -43.6 41.3 104.6 6.9 11 11 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.886 110.2 51.8 -61.1 -37.5 39.0 102.5 4.7 12 12 A Y H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.948 113.3 44.3 -61.6 -44.8 36.5 102.5 7.5 13 13 A R H X S+ 0 0 134 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.902 114.9 47.4 -71.4 -39.3 36.7 106.3 7.9 14 14 A V H X S+ 0 0 55 -4,-3.2 4,-0.9 2,-0.2 3,-0.4 0.946 112.8 47.3 -65.0 -48.5 36.5 107.0 4.2 15 15 A L H >X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.3 3,-1.0 0.901 106.8 58.5 -62.4 -39.4 33.6 104.7 3.5 16 16 A S H 3< S+ 0 0 33 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.858 108.1 47.3 -55.1 -36.5 31.8 106.3 6.6 17 17 A R H 3< S+ 0 0 220 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.673 118.5 41.3 -77.8 -18.7 32.2 109.7 4.8 18 18 A A H << S+ 0 0 75 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.764 91.6 101.6 -97.1 -30.4 30.9 108.2 1.5 19 19 A F < - 0 0 33 -4,-2.5 2,-0.5 -5,-0.1 37,-0.0 -0.368 55.3-148.3 -81.8 137.9 28.0 106.0 2.4 20 20 A R - 0 0 182 -2,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.831 16.3-169.6 -87.7 129.5 24.4 106.6 2.3 21 21 A F - 0 0 40 -2,-0.5 3,-0.1 1,-0.1 4,-0.0 -0.995 11.0-169.9-120.3 126.3 22.4 104.8 5.0 22 22 A D S S+ 0 0 118 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.515 71.8 34.3 -98.0 -7.3 18.7 104.8 4.7 23 23 A N S > S- 0 0 68 1,-0.1 4,-1.6 0, 0.0 -1,-0.1 -0.988 73.9-125.2-140.6 162.8 18.0 103.5 8.2 24 24 A E H > S+ 0 0 113 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.824 105.6 60.0 -63.6 -39.9 19.5 103.7 11.6 25 25 A D H > S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.921 107.2 45.5 -61.4 -44.9 20.0 100.0 12.1 26 26 A Q H > S+ 0 0 40 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.907 112.3 51.6 -64.3 -44.3 22.2 99.6 9.1 27 27 A K H X S+ 0 0 90 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.896 112.0 46.3 -59.0 -43.1 24.2 102.7 10.1 28 28 A L H X S+ 0 0 52 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.938 111.5 52.1 -65.8 -45.1 24.7 101.3 13.6 29 29 A W H X S+ 0 0 1 -4,-2.9 4,-2.1 -5,-0.2 5,-0.4 0.925 110.0 49.6 -55.4 -46.0 25.6 97.9 12.2 30 30 A W H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.956 114.9 42.0 -59.8 -50.2 28.2 99.6 10.0 31 31 A H H < S+ 0 0 51 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.848 114.3 53.4 -71.4 -26.7 29.8 101.6 12.8 32 32 A S H < S+ 0 0 0 -4,-2.9 387,-2.9 -5,-0.2 4,-0.2 0.882 125.6 18.5 -69.0 -39.6 29.6 98.6 15.2 33 33 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.734 107.0 73.7-108.0 -30.6 31.4 96.1 12.9 34 34 A A H X S+ 0 0 0 -4,-2.6 4,-3.6 -5,-0.4 5,-0.4 0.800 87.8 62.0 -63.8 -33.7 33.4 98.0 10.2 35 35 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.985 113.4 36.5 -58.6 -47.8 36.2 99.3 12.4 36 36 A M H > S+ 0 0 0 -4,-0.2 4,-3.0 2,-0.2 5,-0.2 0.917 117.8 52.5 -66.7 -43.0 37.3 95.7 13.2 37 37 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.963 114.0 42.0 -58.2 -50.7 36.5 94.5 9.7 38 38 A A H X S+ 0 0 0 -4,-3.6 4,-2.3 1,-0.2 -2,-0.2 0.927 115.8 49.2 -66.8 -39.2 38.6 97.3 8.0 39 39 A K H X S+ 0 0 23 -4,-2.6 4,-2.4 -5,-0.4 -1,-0.2 0.893 110.1 51.8 -66.7 -37.3 41.4 96.9 10.5 40 40 A M H X S+ 0 0 0 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.944 109.8 48.7 -65.4 -44.7 41.4 93.1 10.0 41 41 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 -5,-0.2 -2,-0.2 0.916 112.2 49.8 -54.7 -45.5 41.6 93.5 6.2 42 42 A E H ><5S+ 0 0 64 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.928 113.2 44.3 -61.7 -47.9 44.5 96.0 6.6 43 43 A T H 3<5S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.768 107.5 58.7 -76.8 -21.4 46.5 93.8 8.9 44 44 A A T 3<5S- 0 0 5 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.310 119.4-114.6 -83.8 6.1 45.8 90.7 6.7 45 45 A N T < 5 + 0 0 122 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.770 54.5 165.6 65.5 32.3 47.5 92.8 4.0 46 46 A Y < - 0 0 22 -5,-2.7 -1,-0.2 -6,-0.2 5,-0.1 -0.595 44.5-106.4 -68.4 138.3 44.5 93.2 1.6 47 47 A T > - 0 0 86 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.200 30.6-107.1 -59.5 158.0 45.3 96.0 -0.9 48 48 A T H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.924 120.4 51.7 -54.7 -47.2 43.5 99.3 -0.3 49 49 A P H > S+ 0 0 94 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.882 110.5 49.2 -59.4 -37.1 41.1 98.7 -3.3 50 50 A C H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.891 106.6 55.8 -69.4 -39.2 40.2 95.3 -2.0 51 51 A Q H X S+ 0 0 13 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.953 113.5 41.7 -53.1 -50.9 39.6 96.8 1.5 52 52 A Y H X S+ 0 0 49 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.948 113.3 53.2 -59.8 -49.2 37.1 99.1 -0.1 53 53 A Q H X S+ 0 0 70 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.918 113.7 40.7 -56.2 -49.1 35.6 96.5 -2.4 54 54 A Y H X S+ 0 0 3 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.832 114.7 50.7 -71.6 -35.9 34.9 94.0 0.5 55 55 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.862 111.1 50.3 -71.0 -35.4 33.6 96.6 2.9 56 56 A I H X S+ 0 0 52 -4,-2.7 4,-3.4 2,-0.2 5,-0.4 0.931 111.1 46.5 -66.6 -47.9 31.3 98.0 0.2 57 57 A T H X>S+ 0 0 17 -4,-2.2 4,-3.2 -5,-0.3 5,-0.8 0.935 114.4 50.0 -58.2 -44.7 29.8 94.6 -0.6 58 58 A Y H X>S+ 0 0 0 -4,-2.1 5,-2.8 3,-0.2 4,-1.8 0.960 115.2 42.4 -54.8 -55.2 29.4 94.0 3.1 59 59 A K H <5S+ 0 0 20 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.919 123.9 35.7 -60.2 -45.4 27.7 97.3 3.7 60 60 A E H <5S+ 0 0 115 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.2 0.843 131.1 24.7 -83.9 -34.3 25.5 97.2 0.6 61 61 A C H <5S+ 0 0 12 -4,-3.2 -3,-0.2 -5,-0.4 -2,-0.2 0.687 131.0 29.1-104.4 -25.4 24.6 93.5 0.4 62 62 A V T >< - 0 0 2 6,-2.7 3,-0.8 -2,-0.8 6,-0.3 -0.664 20.7-141.0 -89.0 140.2 21.3 83.7 15.8 80 80 A I T 3 S+ 0 0 29 -2,-0.3 -1,-0.1 1,-0.2 6,-0.1 0.627 89.5 89.3 -66.9 -15.2 23.0 80.4 16.5 81 81 A L T 3 S+ 0 0 1 4,-0.1 2,-0.3 3,-0.1 -1,-0.2 0.882 96.3 17.3 -53.6 -44.8 26.1 82.1 15.0 82 82 A T S X S- 0 0 15 -3,-0.8 3,-1.9 4,-0.4 7,-0.0 -0.884 77.7-115.0-128.2 158.8 27.4 83.6 18.3 83 83 A R T 3 S+ 0 0 32 -2,-0.3 232,-3.1 1,-0.3 -1,-0.1 0.797 120.5 54.3 -59.8 -28.3 26.7 82.9 22.0 84 84 A Y T 3 S- 0 0 8 230,-0.2 -1,-0.3 2,-0.1 233,-0.2 0.419 114.3-121.0 -85.0 0.5 25.3 86.4 22.1 85 85 A G < + 0 0 0 -3,-1.9 -6,-2.7 -6,-0.3 -4,-0.1 0.577 60.1 149.3 69.0 11.0 22.9 85.6 19.2 86 86 A T - 0 0 0 -8,-0.2 -4,-0.4 1,-0.1 -1,-0.2 -0.534 48.8-133.9 -77.1 142.5 24.3 88.4 16.9 87 87 A P S S+ 0 0 2 0, 0.0 17,-1.6 0, 0.0 2,-0.3 0.028 77.0 70.6 -92.7 29.9 24.0 87.4 13.2 88 88 A F E +B 103 0B 1 15,-0.2 328,-0.4 -9,-0.1 2,-0.3 -0.985 47.6 162.8-149.0 135.6 27.6 88.4 12.2 89 89 A E E -B 102 0B 1 13,-2.3 13,-2.7 -2,-0.3 2,-0.3 -0.944 21.0-147.6-155.2 132.2 31.1 87.1 12.8 90 90 A L E -BC 101 414B 0 324,-0.7 324,-2.2 -2,-0.3 2,-0.4 -0.662 12.7-167.2 -91.6 150.1 34.5 87.6 11.2 91 91 A S E -BC 100 413B 0 9,-2.5 9,-2.7 -2,-0.3 2,-0.6 -0.991 11.6-146.3-135.6 142.8 37.1 84.9 11.1 92 92 A L E -BC 99 412B 7 320,-2.1 320,-2.1 -2,-0.4 2,-1.4 -0.948 9.9-145.4-106.8 116.4 40.8 85.3 10.1 93 93 A N E >>> -BC 98 411B 3 5,-3.8 5,-1.6 -2,-0.6 4,-1.1 -0.750 21.5-170.6 -75.7 97.3 42.3 82.4 8.4 94 94 A C T 345S+ 0 0 2 -2,-1.4 -1,-0.2 316,-1.3 317,-0.2 0.797 75.6 59.8 -65.8 -29.3 45.7 83.0 10.0 95 95 A S T 345S+ 0 0 21 315,-1.5 -1,-0.2 1,-0.2 316,-0.1 0.820 123.0 20.5 -75.7 -26.5 47.5 80.5 7.9 96 96 A N T <45S- 0 0 88 -3,-0.6 -1,-0.2 314,-0.3 -2,-0.2 0.365 101.1-119.3-118.1 3.9 46.7 82.3 4.6 97 97 A S T <5 + 0 0 26 -4,-1.1 2,-0.5 1,-0.2 -3,-0.2 0.904 61.6 151.2 53.3 44.4 45.9 85.8 5.9 98 98 A I E < -B 93 0B 33 -5,-1.6 -5,-3.8 82,-0.1 2,-0.4 -0.910 37.7-145.2-108.6 132.5 42.3 85.4 4.4 99 99 A V E +BD 92 179B 0 80,-0.6 80,-2.3 -2,-0.5 2,-0.3 -0.793 24.8 170.9 -95.1 134.7 39.4 87.3 6.0 100 100 A R E -BD 91 178B 4 -9,-2.7 -9,-2.5 -2,-0.4 2,-0.3 -0.921 11.3-165.4-133.3 162.7 36.0 85.6 6.0 101 101 A Y E -BD 90 177B 1 76,-1.8 76,-2.6 -2,-0.3 2,-0.4 -0.992 6.9-153.5-149.2 157.8 32.7 86.3 7.7 102 102 A T E +BD 89 176B 2 -13,-2.7 -13,-2.3 -2,-0.3 2,-0.3 -0.951 15.8 174.5-124.9 144.1 29.6 84.6 8.3 103 103 A F E -BD 88 175B 0 72,-2.9 72,-2.9 -2,-0.4 -15,-0.2 -0.971 30.6-128.5-143.6 160.7 26.1 86.0 8.8 104 104 A E - 0 0 0 -17,-1.6 70,-0.2 -2,-0.3 -25,-0.0 -0.960 35.6-124.3-106.5 111.2 22.6 84.8 9.2 105 105 A P + 0 0 0 0, 0.0 2,-0.4 0, 0.0 17,-0.2 -0.323 35.7 177.2 -54.3 133.7 20.4 86.5 6.7 106 106 A I B +a 66 0A 12 -41,-1.9 -39,-0.6 15,-0.2 2,-0.2 -0.994 2.1 171.3-138.9 136.2 17.4 88.3 8.4 107 107 A N > - 0 0 28 -2,-0.4 3,-1.5 -41,-0.1 14,-0.1 -0.758 53.3 -72.8-135.3-170.1 14.8 90.4 6.8 108 108 A Q T 3 S+ 0 0 154 1,-0.3 13,-0.0 -2,-0.2 -2,-0.0 0.756 129.1 49.6 -57.9 -27.7 11.5 92.1 7.7 109 109 A H T > S+ 0 0 66 5,-0.1 3,-2.3 2,-0.1 6,-0.7 0.636 80.0 119.8 -90.6 -11.7 9.6 88.7 7.8 110 110 A T B < S+l 115 0C 17 -3,-1.5 3,-0.1 1,-0.3 -4,-0.1 -0.256 88.1 3.0 -53.8 126.8 12.2 87.0 10.0 111 111 A G T 3 S+ 0 0 43 4,-2.4 -1,-0.3 1,-0.3 2,-0.2 0.508 107.5 109.4 74.3 4.3 10.5 85.9 13.3 112 112 A T S X S- 0 0 55 -3,-2.3 3,-1.2 3,-0.3 -1,-0.3 -0.479 92.8 -92.6 -97.2 176.9 7.1 87.1 12.2 113 113 A D T 3 S+ 0 0 147 1,-0.2 4,-0.1 2,-0.2 46,-0.1 0.672 125.7 63.1 -68.6 -8.7 4.3 84.6 11.4 114 114 A K T 3 S+ 0 0 141 -5,-0.2 -1,-0.2 1,-0.2 -4,-0.1 0.727 128.4 6.5 -85.5 -22.6 5.4 84.8 7.7 115 115 A D B X S+l 110 0C 0 -3,-1.2 -4,-2.4 -6,-0.7 3,-1.7 -0.334 73.5 165.8-151.2 67.1 8.8 83.4 8.6 116 116 A P T 3 S+ 0 0 11 0, 0.0 -3,-0.1 0, 0.0 54,-0.1 0.763 83.1 35.8 -64.9 -22.3 8.8 82.3 12.2 117 117 A F T 3 S- 0 0 0 -4,-0.1 55,-0.3 -5,-0.1 33,-0.1 0.273 109.9-115.0-111.6 13.0 11.9 80.3 12.0 118 118 A N < + 0 0 1 -3,-1.7 54,-0.5 -6,-0.2 55,-0.4 0.914 68.4 139.4 56.7 50.4 13.8 82.5 9.5 119 119 A T + 0 0 1 53,-0.1 4,-0.1 1,-0.1 -1,-0.1 0.562 67.7 46.0 -98.3 -11.7 13.9 79.9 6.7 120 120 A H S >> S+ 0 0 68 2,-0.1 3,-1.6 1,-0.1 4,-0.6 0.731 87.3 78.8-100.8 -28.6 13.1 82.4 3.9 121 121 A A H >> S+ 0 0 1 1,-0.3 4,-1.4 -16,-0.2 3,-0.8 0.783 80.6 71.8 -59.8 -27.4 15.4 85.4 4.4 122 122 A I H 3> S+ 0 0 0 1,-0.3 4,-2.2 -17,-0.2 -1,-0.3 0.835 90.3 60.1 -59.8 -31.7 18.5 83.6 3.0 123 123 A W H <> S+ 0 0 87 -3,-1.6 4,-2.1 1,-0.2 -1,-0.3 0.871 101.9 52.1 -64.5 -37.6 17.0 83.9 -0.6 124 124 A E H X S+ 0 0 0 -4,-1.6 3,-2.2 1,-0.1 4,-0.7 0.861 96.6 73.9 -85.8 -38.7 25.2 88.6 -3.8 130 130 A L G >< S+ 0 0 63 -4,-3.4 3,-1.0 1,-0.3 6,-0.2 0.821 91.8 54.3 -46.3 -45.3 24.6 86.4 -6.9 131 131 A P G 34 S+ 0 0 109 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.685 104.2 58.7 -69.6 -11.4 25.2 89.2 -9.4 132 132 A L G <4 S+ 0 0 89 -3,-2.2 2,-0.4 1,-0.2 -2,-0.2 0.677 107.1 42.6 -86.4 -20.8 28.6 90.0 -7.9 133 133 A E X< - 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0 0 7 -3,-1.8 3,-1.8 -4,-0.4 -1,-0.2 -0.816 57.6-170.0-150.9 99.8 11.3 78.5 66.7 562 134 B K T 3 S+ 0 0 177 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.774 86.0 65.4 -65.5 -32.4 11.8 76.4 69.9 563 135 B S T 3 S+ 0 0 47 49,-0.1 117,-0.4 2,-0.1 -1,-0.3 0.430 73.2 114.6 -73.7 -3.8 11.1 73.2 68.0 564 136 B I < - 0 0 19 -3,-1.8 2,-0.4 -6,-0.3 115,-0.3 -0.541 44.7-176.6 -66.2 132.0 14.2 73.5 65.8 565 137 B D - 0 0 52 113,-1.3 4,-0.3 -2,-0.2 3,-0.1 -1.000 19.4-169.3-131.5 136.6 16.6 70.7 66.6 566 138 B L > + 0 0 19 -2,-0.4 4,-3.1 1,-0.1 5,-0.3 0.296 58.2 103.8-103.6 7.2 20.1 70.4 65.0 567 139 B E H > S+ 0 0 81 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.956 92.1 32.3 -61.7 -50.3 21.0 66.9 66.1 568 140 B W H > S+ 0 0 2 111,-0.3 4,-2.9 1,-0.2 5,-0.3 0.893 117.0 58.4 -74.5 -35.2 20.4 65.2 62.8 569 141 B F H > S+ 0 0 0 -4,-0.3 4,-2.7 2,-0.2 5,-0.3 0.911 106.0 48.0 -55.7 -46.7 21.4 68.3 60.9 570 142 B R H X S+ 0 0 140 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.935 112.4 51.1 -63.0 -42.1 24.9 68.3 62.5 571 143 B H H X S+ 0 0 24 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.951 114.9 39.9 -57.5 -55.5 25.2 64.6 61.7 572 144 B F H X S+ 0 0 1 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.870 116.0 50.1 -65.1 -36.9 24.3 64.9 58.1 573 145 B K H X S+ 0 0 10 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.889 109.6 52.2 -72.0 -39.0 26.2 68.1 57.5 574 146 B H H < S+ 0 0 144 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.959 119.6 34.3 -55.8 -50.7 29.2 66.6 59.1 575 147 B D H < S+ 0 0 21 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.819 126.2 35.5 -76.1 -31.9 29.1 63.5 56.8 576 148 B L H < S+ 0 0 0 -4,-2.9 47,-0.4 -5,-0.2 2,-0.3 0.406 103.5 62.1-115.4 -3.0 27.8 65.1 53.6 577 149 B T S < S- 0 0 5 -4,-1.6 23,-0.0 -5,-0.2 -30,-0.0 -0.892 87.5 -91.2-122.8 160.0 29.2 68.6 53.1 578 150 B L - 0 0 2 -2,-0.3 2,-0.2 -33,-0.1 -2,-0.1 -0.335 35.7-146.7 -66.0 143.0 32.8 69.8 52.7 579 151 B N > - 0 0 69 44,-0.1 4,-2.3 1,-0.0 5,-0.1 -0.407 38.0 -88.5 -94.5-176.6 34.6 70.8 55.8 580 152 B S H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.868 126.6 49.9 -62.9 -37.5 37.2 73.6 55.8 581 153 B E H > S+ 0 0 156 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 111.4 46.2 -69.5 -47.8 40.1 71.3 54.8 582 154 B E H > S+ 0 0 32 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.884 110.9 55.6 -63.4 -35.5 38.3 69.7 51.9 583 155 B S H X S+ 0 0 4 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.903 108.1 46.3 -61.2 -45.9 37.2 73.1 50.7 584 156 B A H X S+ 0 0 51 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.930 113.5 50.4 -65.9 -42.3 40.8 74.5 50.6 585 157 B F H X S+ 0 0 106 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.971 114.7 42.7 -57.9 -54.5 41.9 71.3 48.8 586 158 B L H < S+ 0 0 0 -4,-3.1 3,-0.3 1,-0.2 7,-0.2 0.869 112.0 53.9 -59.9 -42.4 39.0 71.6 46.2 587 159 B A H >< S+ 0 0 29 -4,-2.9 3,-0.8 1,-0.2 -1,-0.2 0.872 111.8 45.6 -57.6 -40.4 39.6 75.4 45.9 588 160 B H H 3< S+ 0 0 152 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.679 122.6 37.6 -77.6 -16.5 43.3 74.7 45.1 589 161 B N T >< + 0 0 44 -4,-1.1 3,-2.8 -3,-0.3 -1,-0.2 -0.246 69.9 149.9-124.3 42.9 42.3 71.9 42.7 590 162 B D G X> + 0 0 83 -3,-0.8 4,-3.4 1,-0.3 3,-0.9 0.526 57.5 83.6 -72.7 -1.4 39.2 73.4 41.1 591 163 B R G 34 S+ 0 0 177 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.888 89.8 57.9 -52.7 -39.2 39.8 71.5 37.9 592 164 B L G <4 S+ 0 0 79 -3,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 0.708 112.1 38.8 -62.2 -24.3 38.0 68.8 40.0 593 165 B V T X4 S+ 0 0 5 -3,-0.9 3,-1.5 -7,-0.2 -2,-0.2 0.891 80.6 158.9 -92.9 -54.1 35.0 71.1 40.3 594 166 B G T 3< S- 0 0 20 -4,-3.4 -1,-0.1 1,-0.2 -2,-0.1 -0.485 75.5 -14.4 68.7-132.1 34.9 72.7 36.8 595 167 B G T 3 S+ 0 0 11 -2,-0.2 -1,-0.2 -4,-0.1 -167,-0.1 0.429 98.8 134.8 -85.2 0.1 31.5 74.1 36.0 596 168 B T < - 0 0 63 -3,-1.5 2,-0.2 1,-0.1 -2,-0.0 -0.212 62.4-117.5 -57.3 127.6 29.7 72.3 39.0 597 169 B I - 0 0 17 1,-0.1 -1,-0.1 144,-0.1 -90,-0.1 -0.485 24.4-147.3 -59.0 133.2 27.3 74.3 41.1 598 170 B R + 0 0 35 -92,-0.4 -1,-0.1 -2,-0.2 -91,-0.1 0.491 40.7 145.6 -95.1 -1.5 28.9 74.3 44.5 599 171 B T + 0 0 6 -93,-0.4 23,-0.2 1,-0.1 22,-0.2 -0.077 18.8 176.5 -45.7 124.4 25.8 74.3 46.8 600 172 B Q - 0 0 1 -54,-0.5 19,-3.0 1,-0.3 2,-0.3 0.813 61.9 -5.7 -92.2 -43.4 26.4 72.3 50.0 601 173 B N E - R 0 618F 0 -55,-0.4 -1,-0.3 17,-0.2 2,-0.3 -0.998 53.2-168.6-161.7 148.2 23.2 72.9 51.8 602 174 B K E - R 0 617F 0 15,-2.2 15,-1.7 -2,-0.3 2,-0.3 -0.841 14.4-138.2-133.3 166.7 19.9 74.8 51.8 603 175 B L E -QR 531 616F 0 -72,-2.5 -72,-2.7 -2,-0.3 2,-0.3 -0.945 12.1-166.2-126.2 152.2 17.1 75.5 54.3 604 176 B A E -QR 530 615F 0 11,-2.4 11,-2.2 -2,-0.3 2,-0.5 -0.985 8.1-150.4-135.0 148.2 13.4 75.5 53.9 605 177 B L E -QR 529 614F 1 -76,-2.5 -76,-2.1 -2,-0.3 2,-0.6 -0.985 2.8-156.3-118.8 126.9 10.6 76.8 56.1 606 178 B D E -QR 528 613F 30 7,-2.5 7,-2.3 -2,-0.5 2,-0.8 -0.935 19.5-146.2 -94.0 123.3 7.1 75.3 56.0 607 179 B L E +QR 527 612F 1 -80,-2.2 -80,-0.5 -2,-0.6 2,-0.4 -0.811 33.5 153.4-100.7 104.0 4.9 78.0 57.3 608 180 B K E > - 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