==== 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 OXIDOREDUCTASE 22-NOV-06 2NZA . COMPND 2 MOLECULE: CYTOCHROME P450 CYP158A1; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR B.ZHAO,M.R.WATERMAN . 785 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34087.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 507 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 6.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 41 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 271 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 3 3 0 4 1 4 3 4 1 0 0 0 1 2 4 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 8 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 13 A P 0 0 115 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.8 -5.5 2.7 28.6 2 14 A P - 0 0 59 0, 0.0 30,-0.1 0, 0.0 3,-0.1 -0.470 360.0 -89.6 -73.4 144.4 -8.2 0.6 26.9 3 15 A P - 0 0 76 0, 0.0 29,-0.3 0, 0.0 0, 0.0 -0.194 48.5 -98.0 -56.1 139.3 -7.1 -1.5 23.9 4 16 A V - 0 0 27 27,-0.1 2,-0.4 -3,-0.1 29,-0.2 -0.251 39.6-138.2 -58.2 142.9 -7.2 0.1 20.4 5 17 A R E -a 33 0A 91 27,-3.8 29,-3.2 -3,-0.1 2,-0.5 -0.837 4.3-129.8-110.6 143.7 -10.3 -0.7 18.3 6 18 A D E -a 34 0A 103 -2,-0.4 29,-0.2 27,-0.2 27,-0.0 -0.775 17.0-169.9 -92.1 126.5 -10.6 -1.5 14.7 7 19 A W - 0 0 2 27,-2.8 26,-0.0 -2,-0.5 -1,-0.0 -0.782 15.2-161.9-117.7 87.0 -13.2 0.5 12.8 8 20 A P - 0 0 65 0, 0.0 2,-1.5 0, 0.0 12,-0.1 -0.114 30.8-105.6 -62.8 163.0 -13.5 -1.2 9.3 9 21 A A - 0 0 46 2,-0.0 2,-0.2 272,-0.0 373,-0.1 -0.607 52.2-178.2 -90.2 73.8 -15.1 0.5 6.4 10 22 A L - 0 0 49 -2,-1.5 2,-0.8 270,-0.2 8,-0.0 -0.505 23.2-137.7 -78.8 145.2 -18.3 -1.5 6.4 11 23 A D - 0 0 66 -2,-0.2 2,-0.2 371,-0.1 368,-0.1 -0.845 15.9-155.3-106.3 98.1 -21.0 -0.9 3.8 12 24 A L - 0 0 30 -2,-0.8 2,-1.2 4,-0.1 6,-0.0 -0.474 13.5-137.1 -70.8 138.0 -24.4 -0.9 5.4 13 25 A D S S+ 0 0 130 -2,-0.2 -1,-0.1 365,-0.1 364,-0.0 -0.664 80.5 9.3 -96.5 75.9 -27.2 -1.8 3.0 14 26 A G S S- 0 0 1 -2,-1.2 373,-0.1 2,-0.1 -2,-0.1 -0.955 109.8 -57.2 149.5-165.4 -29.6 0.8 4.1 15 27 A P S S+ 0 0 5 0, 0.0 262,-0.4 0, 0.0 -1,-0.1 0.282 79.3 149.1 -92.5 9.5 -29.7 4.0 6.4 16 28 A E - 0 0 92 1,-0.1 -4,-0.1 260,-0.1 -2,-0.1 -0.154 52.2-115.6 -48.6 128.3 -28.6 1.8 9.3 17 29 A F - 0 0 36 1,-0.1 -1,-0.1 2,-0.1 259,-0.0 -0.237 45.4 -88.2 -59.9 155.2 -26.5 3.6 11.9 18 30 A D > - 0 0 9 1,-0.2 4,-3.1 2,-0.1 5,-0.2 -0.569 35.7-157.7 -73.2 114.4 -22.9 2.2 12.2 19 31 A P H > S+ 0 0 62 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.897 92.4 50.8 -57.7 -44.1 -23.0 -0.7 14.7 20 32 A V H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.868 112.0 48.6 -62.9 -37.3 -19.2 -0.5 15.4 21 33 A L H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.967 107.5 54.5 -65.5 -50.6 -19.7 3.2 16.1 22 34 A A H X S+ 0 0 23 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.894 110.6 49.0 -46.5 -42.8 -22.7 2.3 18.3 23 35 A E H >< S+ 0 0 113 -4,-2.5 3,-0.5 1,-0.2 4,-0.3 0.951 107.5 49.8 -63.1 -55.3 -20.2 0.1 20.2 24 36 A L H >< S+ 0 0 4 -4,-2.5 3,-1.0 1,-0.2 4,-0.3 0.822 106.4 62.1 -54.0 -32.1 -17.4 2.6 20.6 25 37 A M H >< S+ 0 0 41 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.931 106.6 40.1 -61.4 -47.8 -20.1 4.9 21.9 26 38 A R T << S+ 0 0 185 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.283 102.3 75.0 -86.2 11.5 -21.1 2.7 24.9 27 39 A E T < S- 0 0 68 -3,-1.0 -1,-0.2 1,-0.4 -2,-0.2 0.489 113.8 -67.9 -98.5 -6.6 -17.4 1.9 25.5 28 40 A G < - 0 0 21 -3,-1.0 -1,-0.4 -4,-0.3 18,-0.2 -0.520 50.5 -74.4 135.2 157.2 -16.7 5.4 27.0 29 41 A P S S+ 0 0 39 0, 0.0 17,-1.5 0, 0.0 18,-0.7 0.778 118.9 28.4 -52.6 -31.6 -16.4 9.1 26.3 30 42 A L E S+ B 0 45A 19 15,-0.2 2,-0.3 -3,-0.1 15,-0.2 -0.987 70.4 171.1-133.6 144.7 -13.1 8.6 24.5 31 43 A T E - B 0 44A 0 13,-1.3 13,-1.2 -2,-0.4 2,-0.6 -0.965 30.7-120.3-147.7 159.8 -11.8 5.5 22.6 32 44 A R E - B 0 43A 49 -2,-0.3 -27,-3.8 -29,-0.3 2,-0.3 -0.922 35.0-178.2-109.0 123.1 -8.8 4.6 20.4 33 45 A V E -aB 5 42A 0 9,-2.3 9,-1.5 -2,-0.6 2,-0.5 -0.889 22.9-147.7-124.4 152.8 -9.6 3.5 17.0 34 46 A R E -a 6 0A 95 -29,-3.2 -27,-2.8 -2,-0.3 7,-0.1 -0.979 20.8-155.6-118.7 119.3 -7.7 2.3 14.0 35 47 A L - 0 0 9 -2,-0.5 38,-0.1 5,-0.3 37,-0.1 -0.328 33.0 -93.8 -87.2 174.5 -9.2 3.1 10.6 36 48 A P S S+ 0 0 52 0, 0.0 37,-0.2 0, 0.0 2,-0.2 0.894 100.8 28.6 -56.4 -48.4 -8.6 1.2 7.3 37 49 A H B S+F 72 0B 79 35,-3.0 35,-1.6 2,-0.1 -2,-0.3 -0.528 92.7 44.3-113.8 179.5 -5.7 3.3 6.0 38 50 A G S S- 0 0 24 33,-0.3 32,-0.2 37,-0.2 33,-0.2 0.328 85.5 -77.9 67.0 153.3 -2.9 5.4 7.2 39 51 A E S S+ 0 0 122 30,-0.9 32,-0.4 32,-0.1 -4,-0.1 -0.344 83.6 11.7 -85.9 166.1 -0.7 4.3 10.1 40 52 A G S S- 0 0 45 30,-0.1 -5,-0.3 -2,-0.1 2,-0.2 -0.103 82.9 -76.3 70.3-168.0 -1.3 4.3 13.9 41 53 A W - 0 0 66 -7,-0.1 30,-0.5 30,-0.0 2,-0.3 -0.507 37.1-143.9-117.0-172.3 -4.5 4.9 15.8 42 54 A A E -B 33 0A 0 -9,-1.5 -9,-2.3 -2,-0.2 263,-0.2 -0.983 19.4-105.3-158.9 147.1 -6.5 8.0 16.6 43 55 A W E -Bc 32 305A 24 261,-2.2 263,-2.1 -2,-0.3 2,-0.4 -0.344 31.3-157.9 -69.5 154.3 -8.5 9.4 19.5 44 56 A L E -Bc 31 306A 0 -13,-1.2 -13,-1.3 261,-0.2 2,-0.6 -0.940 7.9-159.5-142.7 119.1 -12.3 9.5 19.1 45 57 A A E +Bc 30 307A 0 261,-1.8 263,-1.3 -2,-0.4 -15,-0.2 -0.864 16.2 169.2 -99.7 116.3 -14.8 11.8 21.0 46 58 A T + 0 0 5 -17,-1.5 2,-0.3 -2,-0.6 -1,-0.1 0.676 47.3 95.2 -97.1 -24.7 -18.3 10.4 21.0 47 59 A R S > S- 0 0 86 -18,-0.7 4,-3.0 1,-0.1 5,-0.2 -0.558 74.6-129.4 -78.8 133.6 -20.0 12.7 23.5 48 60 A Y H > S+ 0 0 20 -2,-0.3 4,-3.0 264,-0.3 5,-0.3 0.889 105.9 43.1 -39.3 -64.7 -21.8 15.8 22.3 49 61 A D H > S+ 0 0 104 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.880 113.6 49.8 -55.1 -47.2 -20.1 18.3 24.6 50 62 A D H > S+ 0 0 23 2,-0.2 4,-4.0 3,-0.2 5,-0.2 0.934 113.9 48.6 -59.5 -43.6 -16.6 16.9 24.1 51 63 A V H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.960 113.5 43.1 -60.8 -55.6 -17.2 17.0 20.3 52 64 A K H < S+ 0 0 81 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.916 120.0 46.2 -56.3 -44.1 -18.5 20.6 20.2 53 65 A A H >< S+ 0 0 57 -4,-2.8 3,-1.4 -5,-0.3 4,-0.4 0.908 111.2 49.2 -65.0 -48.5 -15.8 21.6 22.6 54 66 A I H >< S+ 0 0 5 -4,-4.0 3,-1.5 1,-0.3 -2,-0.2 0.948 110.4 53.0 -57.8 -47.7 -13.0 19.7 20.8 55 67 A T T 3< S+ 0 0 8 -4,-2.8 287,-0.3 1,-0.3 -1,-0.3 0.479 113.4 44.3 -66.9 -2.6 -14.1 21.3 17.5 56 68 A N T < S+ 0 0 102 -3,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.321 83.4 109.2-125.2 9.3 -13.9 24.8 19.1 57 69 A D X - 0 0 38 -3,-1.5 3,-1.5 -4,-0.4 -4,-0.0 -0.758 59.6-148.3 -89.1 124.8 -10.6 24.6 21.0 58 70 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.730 92.5 76.2 -62.2 -19.3 -7.9 26.8 19.4 59 71 A R T 3 S+ 0 0 90 1,-0.1 230,-3.2 2,-0.0 2,-0.6 0.317 78.3 84.0 -76.2 7.9 -5.4 24.2 20.6 60 72 A F E < -D 288 0A 16 -3,-1.5 2,-0.3 228,-0.2 228,-0.2 -0.938 66.6-158.3-116.4 111.4 -6.4 21.7 17.8 61 73 A G E -D 287 0A 4 226,-2.3 226,-3.6 -2,-0.6 4,-0.1 -0.622 16.8-176.0 -89.3 147.3 -4.7 22.3 14.4 62 74 A R S S+ 0 0 27 -2,-0.3 -1,-0.1 224,-0.2 26,-0.1 0.487 79.7 64.4-114.6 -11.9 -6.2 21.0 11.2 63 75 A A S > S+ 0 0 36 1,-0.2 3,-3.1 2,-0.2 4,-0.4 0.919 92.6 60.3 -77.4 -46.4 -3.3 22.1 8.9 64 76 A E G >> S+ 0 0 82 1,-0.3 3,-2.3 2,-0.2 4,-0.7 0.813 90.7 73.8 -50.4 -31.1 -0.8 19.7 10.5 65 77 A V G 34 S+ 0 0 5 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.660 86.3 63.1 -58.7 -16.9 -3.1 16.9 9.4 66 78 A T G <4 S+ 0 0 38 -3,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.678 104.9 46.1 -82.2 -17.4 -1.9 17.5 5.9 67 79 A Q T <4 S+ 0 0 150 -3,-2.3 -2,-0.2 -4,-0.4 -1,-0.2 0.522 103.9 68.7-102.5 -6.4 1.6 16.5 6.8 68 80 A R S < S- 0 0 100 -4,-0.7 -30,-0.0 -3,-0.1 0, 0.0 -0.515 78.0-120.8-108.2 176.3 1.0 13.4 8.9 69 81 A Q + 0 0 97 -2,-0.2 -30,-0.9 -31,-0.0 3,-0.2 -0.150 42.3 178.3-108.2 39.3 -0.1 9.8 8.2 70 82 A I - 0 0 16 -5,-0.2 2,-0.2 -32,-0.2 -30,-0.1 -0.005 45.8 -93.4 -40.5 138.1 -3.2 9.9 10.5 71 83 A T - 0 0 0 -30,-0.5 -33,-0.3 -32,-0.4 2,-0.3 -0.435 63.2-176.7 -58.8 119.8 -5.2 6.6 10.4 72 84 A R B -F 37 0B 39 -35,-1.6 -35,-3.0 -2,-0.2 212,-0.1 -0.805 41.3-133.3-124.6 166.7 -7.8 7.5 7.8 73 85 A L S S+ 0 0 16 209,-0.3 -1,-0.1 -2,-0.3 210,-0.1 0.652 84.7 77.9 -89.2 -19.6 -10.9 6.1 6.1 74 86 A A S S- 0 0 25 1,-0.1 -2,-0.1 -37,-0.1 -36,-0.0 -0.719 72.8-138.9 -97.1 143.1 -9.8 7.0 2.6 75 87 A P S S+ 0 0 97 0, 0.0 2,-0.2 0, 0.0 -37,-0.2 0.984 90.3 31.6 -60.3 -58.6 -7.3 5.1 0.5 76 88 A H - 0 0 78 -39,-0.1 2,-0.2 2,-0.0 -39,-0.1 -0.602 66.4-168.3 -98.2 161.5 -5.6 8.1 -1.0 77 89 A F + 0 0 67 -2,-0.2 -5,-0.0 2,-0.1 0, 0.0 -0.760 16.2 159.5-153.8 101.4 -5.1 11.5 0.7 78 90 A K - 0 0 98 -2,-0.2 -12,-0.1 2,-0.0 -2,-0.0 -0.711 20.2-162.3-129.0 83.2 -4.0 14.6 -1.3 79 91 A P - 0 0 45 0, 0.0 -2,-0.1 0, 0.0 146,-0.0 -0.310 14.6-145.7 -61.8 143.5 -4.8 18.0 0.4 80 92 A R > - 0 0 102 145,-0.1 3,-2.1 142,-0.0 6,-0.2 -0.907 22.0 -94.0-119.6 145.3 -4.7 21.0 -2.0 81 93 A P T 3 S+ 0 0 79 0, 0.0 144,-0.3 0, 0.0 145,-0.2 -0.267 110.7 25.5 -53.5 125.0 -3.6 24.7 -1.5 82 94 A G T 3 S+ 0 0 8 1,-0.3 2,-0.2 143,-0.2 140,-0.1 0.112 82.1 142.7 107.0 -19.4 -6.6 26.9 -0.7 83 95 A S X - 0 0 22 -3,-2.1 3,-1.0 1,-0.2 -1,-0.3 -0.361 44.8-151.2 -60.4 123.3 -8.8 24.1 0.7 84 96 A L G > S+ 0 0 19 141,-0.3 3,-2.1 1,-0.2 -1,-0.2 0.827 90.7 75.0 -61.8 -32.5 -10.9 25.4 3.7 85 97 A A G 3 S+ 0 0 31 1,-0.3 -1,-0.2 141,-0.1 -2,-0.1 0.823 108.0 29.0 -49.4 -38.7 -10.8 21.9 5.1 86 98 A F G < S+ 0 0 30 -3,-1.0 2,-0.3 -6,-0.2 -1,-0.3 0.085 93.9 126.0-112.2 22.2 -7.2 22.3 6.2 87 99 A A < - 0 0 3 -3,-2.1 2,-0.4 4,-0.1 -25,-0.1 -0.609 39.1-166.7 -83.6 139.7 -7.3 26.0 6.7 88 100 A D > - 0 0 44 -2,-0.3 3,-1.3 -26,-0.1 4,-0.5 -0.993 35.7 -64.7-128.2 134.4 -6.2 27.4 10.1 89 101 A Q T 3 S+ 0 0 80 -2,-0.4 252,-0.0 1,-0.4 0, 0.0 -0.192 120.7 25.9 -49.4 144.0 -6.8 30.9 11.4 90 102 A P T 3> S+ 0 0 108 0, 0.0 4,-2.2 0, 0.0 -1,-0.4 -0.988 131.5 46.5 -77.0 -15.1 -5.8 33.5 10.3 91 103 A D H X> S+ 0 0 70 -3,-1.3 4,-1.9 2,-0.2 3,-1.0 0.959 110.9 49.2 -46.4 -74.8 -5.5 31.6 7.0 92 104 A H H 3> S+ 0 0 5 -4,-0.5 4,-2.5 1,-0.3 5,-0.4 0.847 111.8 50.1 -31.4 -61.8 -9.0 30.0 7.0 93 105 A N H 3> S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.877 108.1 52.9 -49.1 -47.2 -10.7 33.3 7.9 94 106 A R H < S+ 0 0 3 -4,-1.9 3,-1.7 -3,-0.3 4,-0.5 0.977 109.9 49.5 -63.3 -64.0 -10.0 32.5 2.6 96 108 A R H >X S+ 0 0 84 -4,-2.5 4,-3.7 1,-0.3 3,-2.2 0.862 102.4 68.1 -47.4 -36.0 -13.7 32.0 3.5 97 109 A R H 3X S+ 0 0 163 -4,-1.8 4,-0.5 -5,-0.4 -1,-0.3 0.896 93.0 58.4 -49.5 -45.4 -13.9 35.8 3.4 98 110 A A H << S+ 0 0 15 -3,-1.7 -1,-0.3 -4,-0.8 -2,-0.2 0.613 124.9 15.9 -64.1 -14.1 -13.4 35.6 -0.4 99 111 A V H X4 S+ 0 0 0 -3,-2.2 3,-1.8 -4,-0.5 4,-0.5 0.594 94.3 96.8-133.6 -20.1 -16.4 33.5 -1.0 100 112 A A H >X S+ 0 0 22 -4,-3.7 3,-1.9 1,-0.3 4,-0.5 0.803 73.6 70.9 -41.8 -44.6 -18.6 33.6 2.1 101 113 A G G >< S+ 0 0 32 -4,-0.5 3,-0.9 1,-0.3 -1,-0.3 0.814 91.7 58.5 -45.8 -39.4 -20.9 36.3 0.7 102 114 A A G <4 S+ 0 0 14 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.764 107.9 45.4 -64.7 -27.3 -22.4 33.9 -1.8 103 115 A F G <4 S+ 0 0 13 -3,-1.9 246,-0.2 -4,-0.5 -1,-0.2 0.364 84.8 120.7-101.7 7.4 -23.7 31.5 0.9 104 116 A T S S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.882 123.2 46.0 -65.7 -37.8 -28.8 33.9 4.4 106 118 A G H > S+ 0 0 39 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.863 111.0 53.9 -72.1 -32.5 -29.5 37.0 2.4 107 119 A A H 4 S+ 0 0 22 1,-0.2 -2,-0.2 -6,-0.2 -1,-0.2 0.786 112.8 43.1 -69.7 -28.7 -27.6 35.5 -0.5 108 120 A T H X S+ 0 0 7 -4,-1.6 4,-1.8 2,-0.2 3,-0.3 0.696 104.1 61.3 -91.2 -24.7 -29.7 32.4 -0.5 109 121 A K H < S+ 0 0 143 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.1 0.855 104.6 52.6 -69.4 -32.0 -33.1 34.0 0.0 110 122 A R T < S+ 0 0 188 -4,-1.1 4,-0.4 1,-0.2 -1,-0.2 0.668 110.0 48.3 -75.7 -19.2 -32.5 35.8 -3.3 111 123 A L T >> S+ 0 0 20 -3,-0.3 4,-2.7 -4,-0.2 3,-1.0 0.807 84.3 87.5 -90.4 -35.3 -31.7 32.5 -5.1 112 124 A R H 3X S+ 0 0 79 -4,-1.8 4,-2.1 1,-0.3 5,-0.2 0.821 91.4 49.3 -31.7 -55.5 -34.7 30.5 -3.8 113 125 A P H 3> S+ 0 0 86 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.900 114.9 41.4 -56.1 -47.1 -36.8 31.8 -6.8 114 126 A R H <> S+ 0 0 91 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55.8 -36.0 -43.8 -35.9 -10.8 -35.5 596 218 B Y H >> S+ 0 0 0 -54,-1.9 4,-2.7 2,-0.2 3,-0.6 0.967 111.6 38.4 -58.7 -57.7 -38.1 -10.7 -32.3 597 219 B S H 3> S+ 0 0 8 -3,-0.5 4,-2.6 1,-0.2 -7,-0.3 0.927 116.3 54.1 -57.6 -47.0 -38.9 -14.4 -32.1 598 220 B M H 3X S+ 0 0 35 -4,-2.6 4,-1.2 -6,-0.3 -1,-0.2 0.727 111.6 45.5 -59.6 -26.9 -35.4 -15.3 -33.2 599 221 B L H XX S+ 0 0 0 -4,-1.5 4,-3.1 -3,-0.6 3,-0.8 0.956 110.8 50.1 -79.1 -65.7 -34.0 -13.2 -30.4 600 222 B G H 3X S+ 0 0 0 -4,-2.7 4,-4.2 1,-0.3 -2,-0.2 0.821 105.5 61.9 -39.1 -38.4 -36.3 -14.5 -27.8 601 223 B A H 3< S+ 0 0 18 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.972 111.3 35.0 -53.9 -58.4 -35.3 -17.9 -29.0 602 224 B A H X<>S+ 0 0 0 -4,-1.2 5,-2.8 -3,-0.8 3,-1.4 0.828 116.5 56.0 -65.6 -33.4 -31.6 -17.2 -28.1 603 225 B V H ><5S+ 0 0 26 -4,-3.1 3,-2.8 1,-0.3 -2,-0.2 0.941 101.3 57.5 -62.7 -43.8 -32.8 -15.3 -25.0 604 226 B G T 3<5S+ 0 0 49 -4,-4.2 -1,-0.3 -5,-0.3 -2,-0.2 0.462 113.6 40.5 -64.7 0.8 -34.7 -18.4 -24.1 605 227 B R T < 5S- 0 0 144 -3,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.109 111.7-121.2-132.1 14.0 -31.3 -20.0 -24.2 606 228 B G T < 5S+ 0 0 55 -3,-2.8 -3,-0.2 1,-0.2 -2,-0.1 0.686 70.7 135.8 50.7 22.6 -29.4 -17.1 -22.5 607 229 B E S > S+ 0 0 87 1,-0.3 4,-0.9 2,-0.0 3,-0.6 -0.342 106.7 58.8 62.6 -78.4 -32.0 -6.7 -21.2 612 234 B E H 3> S+ 0 0 42 -2,-2.9 4,-1.9 -4,-0.3 -1,-0.3 0.744 94.9 71.5 -50.1 -26.3 -29.6 -6.8 -24.1 613 235 B A H >> S+ 0 0 1 -4,-0.4 4,-2.2 1,-0.2 3,-0.9 0.982 94.9 46.5 -55.2 -62.6 -32.6 -7.7 -26.2 614 236 B V H <4 S+ 0 0 16 -3,-0.6 -1,-0.2 1,-0.3 4,-0.2 0.736 117.6 45.7 -54.1 -26.0 -34.3 -4.3 -26.1 615 237 B G H 3< S+ 0 0 3 -4,-0.9 -141,-0.3 -144,-0.5 -1,-0.3 0.708 108.8 53.7 -91.2 -23.5 -31.0 -2.7 -26.9 616 238 B L H S+ 0 0 0 -5,-0.4 4,-1.7 -4,-0.2 5,-0.2 0.969 95.5 36.1 -50.7 -63.4 -33.7 -0.9 -30.4 619 241 B P H > S+ 0 0 68 0, 0.0 4,-3.3 0, 0.0 -1,-0.2 0.955 116.1 55.1 -54.5 -57.0 -31.7 0.6 -33.3 620 242 B L H X S+ 0 0 20 -4,-0.6 4,-0.6 2,-0.3 3,-0.3 0.924 104.4 51.5 -42.8 -65.2 -33.0 -1.9 -35.9 621 243 B Q H >< S+ 0 0 1 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.911 121.3 35.6 -39.0 -53.9 -36.6 -1.2 -35.2 622 244 B I H >< S+ 0 0 30 -4,-1.7 3,-1.3 -5,-0.3 -1,-0.3 0.760 92.6 99.2 -71.3 -29.1 -35.8 2.5 -35.6 623 245 B G H >< + 0 0 35 -4,-3.3 3,-1.3 -3,-0.3 4,-0.4 0.618 60.1 81.8 -31.4 -35.1 -33.2 1.8 -38.4 624 246 B G T XX S+ 0 0 3 -3,-0.6 3,-2.7 -4,-0.6 4,-1.4 0.861 74.2 68.8 -44.2 -56.2 -35.6 2.6 -41.2 625 247 B E H <> S+ 0 0 54 -3,-1.3 4,-1.7 1,-0.3 5,-0.3 0.768 87.9 68.2 -37.2 -39.5 -35.3 6.5 -41.2 626 248 B A H <> S+ 0 0 32 -3,-1.3 4,-1.9 1,-0.2 -1,-0.3 0.880 105.8 41.3 -51.1 -40.7 -31.7 6.2 -42.5 627 249 B V H <> S+ 0 0 13 -3,-2.7 4,-1.9 -4,-0.4 5,-0.5 0.863 108.3 61.6 -73.8 -38.6 -33.1 4.9 -45.8 628 250 B T H < S+ 0 0 3 -4,-1.4 4,-0.3 1,-0.2 -2,-0.2 0.769 115.2 32.6 -59.3 -27.5 -35.9 7.4 -45.7 629 251 B H H X S+ 0 0 19 -4,-1.7 4,-1.2 2,-0.1 -1,-0.2 0.761 113.3 56.1-102.4 -32.0 -33.3 10.3 -45.8 630 252 B N H X S+ 0 0 16 -4,-1.9 4,-2.1 -5,-0.3 3,-0.5 0.956 115.2 39.2 -66.4 -47.8 -30.5 8.8 -47.8 631 253 B V H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 5,-0.4 0.917 108.1 65.0 -65.4 -40.8 -32.8 8.1 -50.8 632 254 B G H > S+ 0 0 2 -5,-0.5 4,-1.6 -4,-0.3 -1,-0.2 0.841 107.6 42.3 -48.6 -34.6 -34.5 11.4 -50.0 633 255 B Q H X S+ 0 0 0 -4,-1.2 4,-2.8 -3,-0.5 5,-0.3 0.906 108.5 57.7 -79.1 -43.0 -31.2 12.9 -51.0 634 256 B M H X S+ 0 0 1 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.924 110.8 44.1 -51.0 -51.4 -30.6 10.6 -54.0 635 257 B L H >X S+ 0 0 6 -4,-3.0 4,-3.1 2,-0.2 3,-1.5 0.966 107.6 59.3 -59.9 -51.7 -33.9 11.8 -55.5 636 258 B Y H 3X S+ 0 0 23 -4,-1.6 4,-0.9 -5,-0.4 5,-0.4 0.921 107.8 45.6 -43.0 -56.2 -33.1 15.4 -54.6 637 259 B L H 3X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 8,-0.3 0.743 113.8 50.7 -61.3 -23.5 -29.9 15.2 -56.7 638 260 B L H << S+ 0 0 4 -3,-1.5 7,-0.5 -4,-1.1 -1,-0.2 0.911 109.6 49.0 -79.0 -43.0 -31.9 13.6 -59.5 639 261 B L H < S+ 0 0 27 -4,-3.1 121,-0.3 1,-0.2 -2,-0.2 0.499 125.4 27.3 -75.7 -6.5 -34.7 16.2 -59.5 640 262 B T H < S+ 0 0 54 -4,-0.9 2,-0.9 -5,-0.3 -1,-0.2 0.585 114.3 61.8-124.0 -31.9 -32.3 19.2 -59.6 641 263 B R X - 0 0 102 -4,-1.3 4,-1.7 -5,-0.4 3,-0.5 -0.837 65.3-176.0-100.4 98.2 -29.3 17.7 -61.3 642 264 B R H > S+ 0 0 210 -2,-0.9 4,-2.9 1,-0.2 5,-0.3 0.893 76.4 64.1 -61.1 -47.2 -30.7 16.7 -64.7 643 265 B E H > S+ 0 0 152 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.863 107.7 48.1 -48.8 -34.4 -27.5 15.1 -66.2 644 266 B L H >> S+ 0 0 6 -3,-0.5 4,-2.4 -7,-0.3 3,-0.6 0.999 110.4 46.4 -67.0 -68.0 -28.1 12.6 -63.3 645 267 B M H 3X S+ 0 0 20 -4,-1.7 4,-2.6 -7,-0.5 -2,-0.2 0.751 111.9 56.1 -44.7 -30.4 -31.8 11.9 -63.8 646 268 B A H 3X S+ 0 0 27 -4,-2.9 4,-2.9 2,-0.2 -1,-0.3 0.948 106.0 46.8 -70.3 -51.0 -31.0 11.6 -67.6 647 269 B R H < S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.935 114.8 39.0 -57.7 -53.9 -30.9 7.2 -64.8 649 271 B R H 3< S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.871 116.9 49.1 -69.5 -36.6 -33.9 7.3 -67.1 650 272 B E H 3< S+ 0 0 147 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.368 118.5 37.1 -87.9 7.8 -32.0 6.5 -70.3 651 273 B R X< + 0 0 122 -3,-0.8 3,-1.4 -4,-0.5 -1,-0.2 -0.188 69.6 164.8-151.4 52.5 -30.1 3.5 -68.9 652 274 B P T 3 + 0 0 80 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.103 68.2 50.5 -61.1 175.3 -32.2 1.4 -66.5 653 275 B G T 3 S+ 0 0 90 1,-0.1 3,-0.2 3,-0.0 0, 0.0 0.171 107.2 66.1 79.3 -24.2 -30.8 -2.0 -65.8 654 276 B A <> + 0 0 25 -3,-1.4 4,-0.7 -6,-0.2 3,-0.1 -0.104 62.8 108.7-120.1 33.3 -27.6 -0.0 -65.1 655 277 B R H > + 0 0 26 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.518 58.4 81.3 -87.7 -5.9 -28.7 1.9 -62.0 656 278 B G H > S+ 0 0 26 2,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.965 94.5 43.2 -64.2 -53.7 -26.5 -0.1 -59.6 657 279 B T H >> S+ 0 0 49 1,-0.2 4,-3.0 2,-0.2 3,-0.8 0.966 115.8 50.3 -54.2 -53.5 -23.3 1.8 -60.3 658 280 B A H 3X S+ 0 0 0 -4,-0.7 4,-2.6 59,-0.3 -1,-0.2 0.877 109.5 50.6 -52.0 -42.2 -25.2 5.1 -60.2 659 281 B L H 3X S+ 0 0 3 -4,-2.5 4,-1.4 2,-0.2 -1,-0.3 0.771 110.9 50.8 -68.7 -25.7 -26.7 4.1 -56.9 660 282 B D H -O 458 0G 0 15,-2.0 14,-2.1 -2,-0.4 3,-0.5 -0.615 31.2-168.4 -73.1 99.8 -6.9 4.0 -28.2 679 301 B L T 3 S+ 0 0 86 -222,-2.5 -1,-0.2 -2,-1.2 -221,-0.1 0.906 79.1 21.8 -59.9 -44.7 -6.9 1.0 -26.0 680 302 B E T 3 S- 0 0 127 -223,-0.7 -1,-0.2 -3,-0.1 11,-0.2 0.151 112.0 -98.3-115.8 22.3 -3.2 0.5 -25.9 681 303 B D < + 0 0 59 -3,-0.5 9,-0.2 -224,-0.2 2,-0.2 0.952 57.6 175.3 63.6 85.5 -1.7 3.9 -26.8 682 304 B V - 0 0 13 7,-0.4 7,-2.3 8,-0.2 2,-0.3 -0.454 19.1-130.3-110.7-173.3 -0.9 3.5 -30.5 683 305 B E B -T 688 0J 107 5,-0.3 2,-0.3 -2,-0.2 5,-0.2 -0.908 7.1-155.2-139.4 165.9 0.5 5.9 -33.2 684 306 B V S S- 0 0 16 3,-2.0 -256,-0.0 -2,-0.3 -236,-0.0 -0.906 73.5 -18.3-150.0 117.6 -0.4 7.0 -36.7 685 307 B H S S- 0 0 109 -2,-0.3 -257,-0.1 1,-0.2 3,-0.1 0.924 133.2 -40.3 53.5 52.4 2.0 8.5 -39.3 686 308 B G S S+ 0 0 69 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.885 114.5 126.0 66.4 37.6 4.6 9.4 -36.7 687 309 B T - 0 0 36 2,-0.0 -3,-2.0 0, 0.0 2,-0.8 -0.931 57.3-138.6-133.2 111.9 1.9 10.6 -34.3 688 310 B R B -T 683 0J 163 -2,-0.4 2,-0.8 -5,-0.2 -5,-0.3 -0.544 14.7-162.8 -75.3 107.3 1.7 9.2 -30.8 689 311 B I - 0 0 2 -7,-2.3 -7,-0.4 -2,-0.8 3,-0.1 -0.789 18.7-136.7 -89.5 108.5 -1.9 8.5 -29.9 690 312 B A > - 0 0 17 -2,-0.8 3,-1.6 -9,-0.2 -12,-0.3 -0.369 25.1-102.0 -66.3 145.7 -2.0 8.3 -26.1 691 313 B A T 3 S+ 0 0 38 1,-0.2 -12,-0.2 -11,-0.2 -1,-0.1 -0.319 109.3 31.9 -63.3 152.4 -4.1 5.4 -24.7 692 314 B G T 3 S+ 0 0 13 -14,-2.1 -1,-0.2 1,-0.3 -13,-0.1 0.216 91.4 125.3 83.7 -18.0 -7.5 6.6 -23.4 693 315 B E < - 0 0 43 -3,-1.6 -15,-2.0 -15,-0.3 -1,-0.3 -0.493 60.2-122.5 -76.0 144.1 -7.6 9.3 -26.0 694 316 B P E - P 0 677G 31 0, 0.0 -253,-1.9 0, 0.0 2,-0.3 -0.560 26.0-169.3 -87.4 151.7 -10.6 9.5 -28.4 695 317 B V E -nP 441 676G 4 -19,-2.0 -19,-2.5 -255,-0.2 2,-0.3 -0.998 4.5-162.0-144.3 139.1 -10.5 9.2 -32.1 696 318 B Y E -n 442 0G 48 -255,-1.4 -253,-1.9 -2,-0.3 2,-0.4 -0.777 2.7-158.0-114.8 159.7 -13.0 9.8 -34.9 697 319 B V E -n 443 0G 9 -2,-0.3 2,-0.7 -255,-0.2 -24,-0.4 -0.998 9.4-145.4-139.7 136.2 -13.1 8.8 -38.6 698 320 B S > - 0 0 5 -255,-1.5 4,-2.5 -2,-0.4 -249,-0.1 -0.910 11.5-174.9-106.3 113.9 -15.0 10.4 -41.4 699 321 B Y H > S+ 0 0 25 -2,-0.7 4,-2.6 2,-0.2 26,-0.2 0.851 90.1 59.7 -70.6 -31.9 -16.3 7.9 -44.0 700 322 B L H >> S+ 0 0 21 2,-0.3 3,-1.0 1,-0.2 4,-0.8 0.991 110.3 36.9 -56.3 -67.7 -17.5 11.0 -45.8 701 323 B A H >4 S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.914 116.3 57.2 -50.1 -43.6 -14.0 12.5 -46.1 702 324 B A H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.3 -1,-0.3 0.835 102.9 53.5 -56.4 -35.3 -12.9 8.9 -46.6 703 325 B N H << S+ 0 0 2 -4,-2.6 -1,-0.3 -3,-1.0 -2,-0.2 0.601 105.5 54.3 -77.3 -11.6 -15.2 8.7 -49.6 704 326 B R T << S+ 0 0 9 -3,-1.6 -1,-0.2 -4,-0.8 -2,-0.2 0.216 74.2 140.5-103.7 12.9 -13.7 11.9 -51.2 705 327 B D <> - 0 0 4 -3,-1.0 4,-2.7 1,-0.2 3,-0.2 -0.399 44.9-152.4 -60.7 118.3 -10.1 10.5 -51.0 706 328 B P T 4 S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.847 91.7 61.7 -60.0 -36.1 -8.4 11.6 -54.3 707 329 B D T 4 S+ 0 0 133 1,-0.2 -2,-0.1 2,-0.1 -262,-0.0 0.926 118.1 25.5 -57.1 -47.9 -6.1 8.5 -54.2 708 330 B V T 4 S+ 0 0 45 -3,-0.2 14,-0.2 1,-0.2 -1,-0.2 0.897 128.5 39.8 -84.3 -48.3 -9.0 6.0 -54.4 709 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