==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JUN-12 4AZK . COMPND 2 MOLECULE: PHOSPHOSERINE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ALCALOPHILUS; . AUTHOR P.BATTULA,A.P.DUBNOVITSKY,A.C.PAPAGEORGIOU . 718 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27749.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 492 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 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 . 2 0.3 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 . 42 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 1 0 2 0 0 2 0 1 0 5 0 0 2 2 2 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 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 PARALLEL BRIDGES PER LADDER . 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 V 0 0 176 0, 0.0 2,-0.4 0, 0.0 390,-0.1 0.000 360.0 360.0 360.0 137.7 17.3 52.4 70.9 2 2 A K - 0 0 118 1,-0.1 318,-0.1 318,-0.0 317,-0.1 -0.825 360.0-117.4-101.9 143.7 17.5 50.6 67.6 3 3 A Q - 0 0 139 -2,-0.4 2,-0.5 316,-0.3 -1,-0.1 -0.248 34.7-121.4 -60.0 162.9 15.2 47.9 66.3 4 4 A V + 0 0 53 388,-0.1 2,-0.5 2,-0.0 317,-0.2 -0.964 32.2 172.3-119.3 122.7 17.0 44.6 65.6 5 5 A F E -a 321 0A 21 315,-2.2 317,-2.9 -2,-0.5 2,-1.1 -0.932 22.8-156.4-123.8 103.9 17.0 42.9 62.3 6 6 A N E +a 322 0A 10 -2,-0.5 7,-0.4 315,-0.2 317,-0.1 -0.687 32.2 153.9 -94.5 94.9 19.5 40.0 62.8 7 7 A F + 0 0 0 315,-2.4 329,-1.1 -2,-1.1 -1,-0.1 0.003 22.7 154.0-102.7 25.8 21.0 38.9 59.5 8 8 A N - 0 0 6 389,-0.2 5,-0.3 1,-0.1 315,-0.1 -0.249 42.3-141.8 -58.0 141.7 24.1 37.5 61.1 9 9 A A S S+ 0 0 17 1,-0.3 3,-0.2 314,-0.2 -1,-0.1 0.525 77.1 8.1 -88.3 -4.7 25.7 34.7 59.0 10 10 A G S S+ 0 0 9 1,-1.9 390,-0.4 387,-0.1 -1,-0.3 -0.111 125.1 35.8 137.9 120.1 26.9 32.6 61.9 11 11 A P S S+ 0 0 0 0, 0.0 -1,-1.9 0, 0.0 2,-0.2 0.719 98.5 172.2 -54.4 168.4 26.4 32.6 64.9 12 12 A S - 0 0 3 183,-0.4 -3,-0.1 384,-0.3 -5,-0.1 -0.762 31.2 -44.9-146.1 179.7 22.9 33.9 64.0 13 13 A A - 0 0 11 -7,-0.4 327,-0.3 -5,-0.3 328,-0.1 -0.264 50.6-153.2 -57.9 142.5 19.5 34.7 65.2 14 14 A L - 0 0 12 326,-0.1 2,-0.3 325,-0.1 380,-0.1 -0.811 28.9 -92.2-112.1 157.5 17.8 32.3 67.6 15 15 A P >> - 0 0 5 0, 0.0 4,-1.7 0, 0.0 3,-0.8 -0.527 32.2-133.2 -68.1 132.8 14.2 31.6 68.2 16 16 A K H 3> S+ 0 0 110 -2,-0.3 4,-2.9 1,-0.3 5,-0.3 0.890 103.7 56.8 -55.2 -41.7 12.9 33.8 71.0 17 17 A P H 3> S+ 0 0 70 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.870 105.2 52.1 -62.0 -31.6 11.0 31.0 72.7 18 18 A A H <> S+ 0 0 2 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.888 112.8 44.7 -68.5 -39.0 14.3 29.0 72.9 19 19 A L H X S+ 0 0 3 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.883 112.6 50.6 -69.3 -42.4 16.1 31.9 74.6 20 20 A E H X S+ 0 0 91 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.912 110.6 49.8 -61.9 -41.9 13.2 32.6 76.9 21 21 A R H X S+ 0 0 85 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.927 112.2 48.1 -62.2 -45.6 13.1 29.0 78.0 22 22 A A H < S+ 0 0 0 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.893 111.5 49.9 -61.1 -43.6 16.8 29.0 78.6 23 23 A Q H >< S+ 0 0 50 -4,-2.5 3,-1.1 1,-0.2 4,-0.3 0.926 107.4 53.8 -63.4 -45.7 16.7 32.2 80.6 24 24 A K H 3< S+ 0 0 183 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.875 120.6 30.0 -58.6 -41.0 13.9 31.0 82.9 25 25 A E T 3< S+ 0 0 45 -4,-1.6 3,-0.3 1,-0.2 11,-0.3 0.206 82.8 114.7-108.0 16.6 15.6 27.8 83.9 26 26 A L S < S+ 0 0 4 -3,-1.1 11,-0.3 -4,-0.4 3,-0.2 0.783 87.1 35.4 -61.1 -30.3 19.3 29.0 83.7 27 27 A L S S+ 0 0 57 -3,-0.3 2,-0.3 -4,-0.3 -1,-0.2 0.666 129.1 29.6 -96.3 -18.5 19.8 28.6 87.5 28 28 A N S S- 0 0 55 -3,-0.3 2,-0.5 -4,-0.1 3,-0.4 -0.771 70.4-172.8-150.4 92.1 17.6 25.6 88.2 29 29 A F S > S- 0 0 13 5,-3.0 3,-2.2 -2,-0.3 5,-0.4 -0.764 71.9 -13.2 -90.2 128.6 17.2 23.1 85.4 30 30 A N T 3 S- 0 0 74 -2,-0.5 -1,-0.2 1,-0.3 5,-0.0 0.843 120.4 -64.9 54.0 39.0 14.7 20.2 85.8 31 31 A D T 3 S+ 0 0 137 -3,-0.4 -1,-0.3 1,-0.1 -2,-0.1 0.640 108.2 120.8 58.8 19.9 14.3 20.9 89.6 32 32 A T S < S- 0 0 23 -3,-2.2 -2,-0.1 2,-0.3 -1,-0.1 0.631 75.6-128.8 -83.9 -12.9 17.9 19.9 90.2 33 33 A Q S S+ 0 0 98 1,-0.3 2,-0.3 -4,-0.1 -5,-0.1 0.624 79.9 96.7 66.8 18.6 18.8 23.4 91.7 34 34 A M S S- 0 0 11 -5,-0.4 -5,-3.0 338,-0.0 -2,-0.3 -0.954 81.2-108.6-130.0 149.1 21.7 23.5 89.3 35 35 A S > - 0 0 0 -2,-0.3 3,-2.1 -7,-0.2 4,-0.5 -0.370 32.8-114.1 -64.1 154.8 22.1 25.1 85.9 36 36 A V G > S+ 0 0 3 -11,-0.3 3,-1.1 1,-0.3 -1,-0.1 0.880 121.9 61.1 -58.2 -28.1 22.2 22.7 82.9 37 37 A M G 3 S+ 0 0 1 -11,-0.3 334,-0.4 1,-0.2 -1,-0.3 0.511 101.8 51.1 -72.1 -11.8 25.8 24.1 82.7 38 38 A E G < S+ 0 0 22 -3,-2.1 -1,-0.2 332,-0.1 2,-0.2 0.351 90.3 102.0-107.6 -4.0 26.6 22.8 86.2 39 39 A L S < S- 0 0 5 -3,-1.1 2,-0.2 -4,-0.5 202,-0.1 -0.534 77.7-107.3 -82.3 151.4 25.4 19.2 85.7 40 40 A S > - 0 0 27 -2,-0.2 3,-1.4 1,-0.1 6,-0.4 -0.500 20.9-132.4 -66.5 140.6 27.5 16.1 85.0 41 41 A H T 3 S+ 0 0 11 328,-0.3 -1,-0.1 1,-0.2 9,-0.1 0.614 110.8 56.3 -68.5 -9.2 27.3 14.9 81.4 42 42 A R T 3 S+ 0 0 133 4,-0.1 -1,-0.2 5,-0.0 2,-0.2 0.293 85.7 109.1-104.9 11.2 26.8 11.5 83.0 43 43 A S S <> S- 0 0 29 -3,-1.4 4,-2.9 1,-0.1 5,-0.2 -0.495 78.0-123.0 -76.9 151.2 23.8 12.7 85.1 44 44 A Q H > S+ 0 0 142 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.901 111.6 57.5 -58.5 -38.9 20.3 11.5 84.2 45 45 A S H > S+ 0 0 18 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.926 113.5 37.5 -62.3 -44.1 19.2 15.1 83.8 46 46 A Y H > S+ 0 0 1 -6,-0.4 4,-2.6 2,-0.2 3,-0.3 0.933 112.2 57.1 -73.3 -43.4 21.8 15.9 81.2 47 47 A E H X S+ 0 0 85 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.880 104.0 55.4 -55.7 -34.8 21.6 12.5 79.5 48 48 A E H X S+ 0 0 93 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.914 109.4 45.7 -62.8 -44.0 17.8 13.1 78.9 49 49 A V H X S+ 0 0 2 -4,-1.2 4,-2.5 -3,-0.3 -2,-0.2 0.910 112.4 50.8 -64.0 -45.4 18.6 16.4 77.1 50 50 A H H X S+ 0 0 2 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.922 114.6 43.7 -57.5 -47.5 21.3 14.8 75.0 51 51 A E H X S+ 0 0 85 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.891 111.1 54.3 -69.0 -39.9 19.0 12.0 74.0 52 52 A Q H X S+ 0 0 70 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.887 105.3 53.1 -63.9 -40.0 16.1 14.4 73.4 53 53 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.935 111.9 46.2 -60.5 -42.4 18.1 16.5 71.0 54 54 A Q H X S+ 0 0 12 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.937 113.1 49.1 -62.8 -46.5 19.0 13.3 69.0 55 55 A N H X S+ 0 0 73 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.877 110.4 50.5 -65.1 -37.5 15.4 12.2 69.0 56 56 A L H X S+ 0 0 7 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.922 111.9 47.1 -64.1 -45.1 14.1 15.6 67.8 57 57 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 -5,-0.2 6,-0.3 0.929 112.1 51.4 -59.8 -43.0 16.6 15.7 65.0 58 58 A R H X>S+ 0 0 49 -4,-2.5 5,-2.1 -5,-0.2 4,-0.7 0.936 115.1 41.4 -62.1 -44.1 15.7 12.1 64.1 59 59 A E H <5S+ 0 0 102 -4,-2.4 3,-0.3 3,-0.2 -2,-0.2 0.934 116.6 47.9 -66.8 -47.8 11.9 12.9 64.0 60 60 A L H <5S+ 0 0 15 -4,-3.0 200,-0.4 1,-0.2 -2,-0.2 0.846 123.3 30.6 -69.5 -37.1 12.3 16.3 62.2 61 61 A L H <5S- 0 0 3 -4,-2.4 123,-0.4 -5,-0.2 -1,-0.2 0.418 105.5-123.3 -97.8 -1.6 14.6 15.1 59.4 62 62 A Q T <5 - 0 0 154 -4,-0.7 122,-0.3 -3,-0.3 -3,-0.2 0.973 37.6-168.7 55.1 57.1 13.2 11.6 59.4 63 63 A I < - 0 0 8 -5,-2.1 -1,-0.2 -6,-0.3 4,-0.1 -0.661 21.6-116.9 -80.9 126.1 16.6 10.1 60.0 64 64 A P > - 0 0 39 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.198 21.8-114.5 -62.0 153.8 16.5 6.3 59.4 65 65 A N T 3 S+ 0 0 153 1,-0.3 -2,-0.1 3,-0.0 -7,-0.0 0.718 112.4 66.4 -64.4 -20.7 17.3 4.1 62.4 66 66 A D T 3 S+ 0 0 72 2,-0.0 144,-2.6 143,-0.0 145,-0.4 0.277 89.0 84.4 -87.3 13.9 20.5 2.8 60.8 67 67 A Y E < -B 209 0B 8 -3,-1.8 2,-0.3 142,-0.3 142,-0.3 -0.921 68.8-147.8-108.0 143.2 22.0 6.3 61.1 68 68 A Q E -B 208 0B 46 140,-3.2 140,-2.8 -2,-0.4 2,-0.5 -0.792 6.3-140.1-106.7 151.5 23.7 7.6 64.2 69 69 A I E -B 207 0B 3 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.965 19.1-168.5-114.3 121.2 23.7 11.2 65.4 70 70 A L E -B 206 0B 3 136,-3.2 136,-2.2 -2,-0.5 2,-0.5 -0.829 15.4-154.7-109.0 146.9 26.9 12.7 66.9 71 71 A F E +B 205 0B 4 -2,-0.3 2,-0.3 134,-0.2 134,-0.2 -0.960 31.2 169.8-119.2 106.4 27.4 15.9 68.8 72 72 A L E -B 204 0B 9 132,-2.8 132,-2.6 -2,-0.5 3,-0.3 -0.749 28.8-127.1-118.4 161.2 31.1 17.0 68.3 73 73 A Q S S+ 0 0 16 -2,-0.3 130,-0.1 130,-0.2 359,-0.0 -0.633 75.4 65.4 -95.8 166.0 33.2 20.0 69.0 74 74 A G S > S- 0 0 2 -2,-0.2 4,-0.9 128,-0.1 -1,-0.1 0.283 91.5-108.5 112.6 -10.1 35.5 21.8 66.6 75 75 A G H >> - 0 0 5 -3,-0.3 4,-1.0 2,-0.2 3,-0.6 0.021 50.3 -61.7 81.6 173.9 33.0 23.3 64.1 76 76 A A H 3> S+ 0 0 12 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.845 132.2 69.6 -58.2 -31.2 32.4 22.2 60.6 77 77 A S H 3> S+ 0 0 9 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.888 95.2 51.1 -58.8 -38.1 36.1 23.2 60.0 78 78 A L H XX S+ 0 0 10 -4,-0.9 4,-2.8 -3,-0.6 3,-1.0 0.860 104.0 59.4 -67.6 -31.6 37.3 20.2 62.1 79 79 A Q H 3X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.3 -1,-0.2 0.825 90.7 70.5 -62.0 -30.4 35.1 17.9 60.0 80 80 A F H 3< S+ 0 0 7 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.844 114.4 25.6 -55.8 -35.7 37.0 19.1 56.9 81 81 A T H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 3,-0.7 0.975 111.4 39.2 -60.1 -56.1 36.3 13.1 57.3 84 84 A P H 3> S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.871 110.6 61.2 -65.6 -31.2 39.3 12.3 55.2 85 85 A M H 3< S+ 0 0 37 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.845 114.8 34.8 -57.2 -34.8 41.2 11.0 58.2 86 86 A N H << S+ 0 0 6 -4,-1.6 129,-0.3 -3,-0.7 -1,-0.2 0.695 135.0 19.8 -93.8 -22.7 38.5 8.4 58.7 87 87 A L H < S+ 0 0 26 -4,-2.0 2,-1.0 -5,-0.2 -2,-0.2 0.626 96.0 90.3-123.4 -21.8 37.6 7.5 55.1 88 88 A L < + 0 0 16 -4,-2.0 2,-0.2 -5,-0.4 -1,-0.1 -0.696 58.5 172.9 -86.7 106.3 40.4 8.6 52.8 89 89 A T > - 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0 0 153 -4,-0.6 122,-0.3 -3,-0.2 -3,-0.2 0.965 38.1-169.5 55.7 56.0 50.3 37.3 85.6 422 63 B I < - 0 0 7 -5,-1.9 -1,-0.2 -6,-0.3 4,-0.1 -0.646 20.5-118.5 -80.4 125.1 50.9 35.9 82.1 423 64 B P > - 0 0 31 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.207 21.7-111.0 -62.9 156.0 53.9 37.4 80.4 424 65 B N T 3 S+ 0 0 134 1,-0.3 -2,-0.1 3,-0.0 -7,-0.0 0.740 113.1 64.0 -58.3 -26.2 53.5 39.4 77.2 425 66 B D T 3 S+ 0 0 67 2,-0.1 144,-2.4 143,-0.0 145,-0.4 0.257 88.9 84.9 -90.7 14.4 55.3 36.8 75.1 426 67 B Y E < -N 568 0F 5 -3,-1.9 2,-0.3 142,-0.3 142,-0.3 -0.924 69.0-146.3-106.7 142.8 52.7 34.2 75.9 427 68 B Q E -N 567 0F 32 140,-2.7 140,-2.7 -2,-0.4 2,-0.5 -0.809 6.5-142.4-102.3 144.6 49.5 33.9 73.8 428 69 B I E -N 566 0F 0 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.960 21.6-168.5-106.2 121.4 46.1 32.8 75.3 429 70 B L E -N 565 0F 0 136,-3.4 136,-2.4 -2,-0.5 2,-0.5 -0.861 17.1-153.4-111.6 146.4 44.0 30.6 73.0 430 71 B F E +N 564 0F 5 -2,-0.3 2,-0.3 134,-0.2 134,-0.2 -0.968 31.2 170.6-117.7 110.0 40.4 29.6 73.3 431 72 B L E -N 563 0F 9 132,-2.8 132,-2.7 -2,-0.5 3,-0.3 -0.767 28.4-127.8-121.3 157.2 40.0 26.3 71.5 432 73 B Q S S+ 0 0 18 -2,-0.3 130,-0.1 130,-0.2 -359,-0.0 -0.641 75.4 66.6 -92.6 166.7 37.3 23.6 71.1 433 74 B G S > S- 0 0 2 -2,-0.2 4,-1.0 128,-0.1 -1,-0.1 0.280 91.2-109.6 112.8 -9.2 37.7 19.9 71.7 434 75 B G H >> - 0 0 3 -3,-0.3 4,-1.0 2,-0.2 3,-0.6 0.039 50.6 -61.2 78.2 176.0 38.4 19.7 75.4 435 76 B A H 3> S+ 0 0 12 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.863 131.8 69.7 -60.8 -31.2 41.6 18.9 77.1 436 77 B S H >> S+ 0 0 13 1,-0.3 4,-0.6 2,-0.2 3,-0.6 0.888 94.6 51.6 -59.0 -37.1 41.3 15.5 75.4 437 78 B L H XX S+ 0 0 11 -4,-1.0 4,-2.6 -3,-0.6 3,-0.9 0.851 103.4 60.1 -69.1 -29.4 42.0 17.1 72.0 438 79 B Q H 3X S+ 0 0 0 -4,-1.0 4,-2.2 -3,-0.4 -1,-0.2 0.803 89.8 70.7 -64.7 -28.6 45.1 18.7 73.4 439 80 B F H << S+ 0 0 6 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.836 114.7 25.7 -56.2 -34.7 46.4 15.3 74.2 440 81 B T H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 3,-0.8 0.980 111.7 38.2 -57.9 -58.6 50.4 18.9 71.5 443 84 B P H 3> S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.869 109.7 62.7 -65.1 -29.7 52.5 16.1 70.0 444 85 B M H 3< S+ 0 0 31 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.860 114.9 34.1 -57.9 -35.4 51.2 16.8 66.5 445 86 B N H << S+ 0 0 6 -4,-1.6 -1,-0.2 -3,-0.8 -3,-0.1 0.830 134.3 21.7 -88.4 -35.4 52.8 20.2 66.8 446 87 B L H < S+ 0 0 27 -4,-2.6 2,-1.5 -5,-0.2 -2,-0.2 0.676 95.7 87.7-110.3 -23.2 55.9 19.5 68.9 447 88 B L < + 0 0 17 -4,-2.1 2,-0.2 -5,-0.4 -1,-0.1 -0.634 60.4 170.2 -87.2 90.8 56.8 15.8 68.6 448 89 B T > - 0 0 75 -2,-1.5 3,-2.3 1,-0.2 26,-0.2 -0.480 45.1 -72.0 -97.7 164.0 58.9 15.8 65.5 449 90 B K T 3 S+ 0 0 108 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.299 121.9 22.8 -55.9 137.5 61.0 13.0 64.1 450 91 B G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.450 106.7 97.5 85.7 -0.6 64.1 12.4 66.2 451 92 B T < - 0 0 30 -3,-2.3 23,-0.6 50,-0.0 2,-0.4 -0.732 64.1-130.8-116.1 172.2 62.5 13.9 69.4 452 93 B I E -op 474 501F 8 48,-1.9 50,-3.2 -2,-0.2 51,-1.0 -0.961 6.4-139.4-128.3 133.2 60.8 12.4 72.4 453 94 B G E -op 475 503F 0 21,-2.8 23,-1.9 -2,-0.4 2,-0.5 -0.820 29.9-160.6 -90.7 108.7 57.5 13.2 74.1 454 95 B N E -op 476 504F 0 49,-1.9 51,-3.0 -2,-0.9 2,-0.4 -0.803 8.6-169.4-101.0 128.4 58.5 12.8 77.8 455 96 B Y E -op 477 505F 0 21,-2.7 23,-2.1 -2,-0.5 24,-0.9 -0.926 21.9-149.2-122.4 140.2 55.7 12.3 80.3 456 97 B V E -o 479 0F 0 49,-2.8 2,-0.7 -2,-0.4 51,-0.2 -0.947 25.5-145.1-101.0 120.2 55.5 12.3 84.1 457 98 B L E +o 480 0F 7 22,-2.7 24,-1.8 -2,-0.6 25,-0.2 -0.776 39.7 147.1 -91.9 115.9 52.7 9.8 85.1 458 99 B T - 0 0 0 -2,-0.7 2,-0.3 1,-0.2 57,-0.2 0.270 67.4 -28.5-128.5 7.9 50.7 10.8 88.1 459 100 B G S > S- 0 0 0 1,-0.1 4,-1.8 53,-0.1 -1,-0.2 -0.991 84.1 -53.7 171.8-165.2 47.3 9.4 87.2 460 101 B S H > S+ 0 0 20 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.906 125.5 53.4 -64.5 -44.1 44.7 8.4 84.6 461 102 B W H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.883 107.3 53.4 -61.8 -35.1 44.7 11.7 82.8 462 103 B S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 108.3 50.2 -62.2 -43.1 48.5 11.5 82.5 463 104 B E H X S+ 0 0 63 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.899 107.2 53.7 -61.2 -40.9 48.1 8.0 80.9 464 105 B K H X S+ 0 0 64 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.891 109.7 48.7 -64.0 -37.9 45.6 9.3 78.4 465 106 B A H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 3,-0.2 0.935 111.0 48.7 -66.9 -46.1 48.0 12.0 77.3 466 107 B L H X S+ 0 0 10 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.909 105.7 59.4 -59.0 -42.6 50.9 9.6 76.9 467 108 B K H X S+ 0 0 115 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.884 105.2 48.2 -55.8 -41.6 48.7 7.3 74.9 468 109 B E H X S+ 0 0 9 -4,-1.4 4,-0.5 -3,-0.2 3,-0.4 0.885 109.4 52.0 -69.7 -37.2 48.0 9.9 72.3 469 110 B A H >X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 3,-1.4 0.891 102.0 61.7 -64.0 -35.5 51.7 10.9 71.9 470 111 B K H 3< S+ 0 0 129 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.820 97.8 57.5 -61.4 -30.6 52.6 7.2 71.4 471 112 B L H 3< S+ 0 0 60 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.766 115.4 37.1 -67.6 -23.4 50.5 7.1 68.3 472 113 B L H << S- 0 0 60 -3,-1.4 2,-0.3 -4,-0.5 -2,-0.2 0.582 123.2 -33.7-110.6 -15.2 52.5 10.0 66.8 473 114 B G S < S- 0 0 32 -4,-1.5 2,-0.2 -20,-0.1 -1,-0.2 -0.975 82.7 -33.3-179.8-168.8 56.1 9.5 67.9 474 115 B E E -o 452 0F 117 -23,-0.6 -21,-2.8 -2,-0.3 2,-0.3 -0.534 55.8-174.5 -76.0 138.6 58.7 8.3 70.4 475 116 B T E -o 453 0F 35 -23,-0.2 2,-0.3 -2,-0.2 -21,-0.2 -0.824 10.4-168.0-130.1 169.4 57.8 8.7 74.0 476 117 B H E -o 454 0F 58 -23,-1.9 -21,-2.7 -2,-0.3 2,-0.7 -0.983 23.9-125.5-155.0 152.8 59.4 8.2 77.4 477 118 B I E -o 455 0F 77 -2,-0.3 -21,-0.2 -23,-0.2 3,-0.1 -0.915 18.9-174.8-106.3 106.6 58.3 8.1 81.0 478 119 B A E S- 0 0 2 -23,-2.1 18,-1.9 -2,-0.7 2,-0.3 0.837 72.8 -21.9 -68.5 -36.5 60.4 10.6 83.0 479 120 B A E -o 456 0F 10 -24,-0.9 -22,-2.7 16,-0.2 2,-0.3 -0.947 64.6-169.9-169.8 158.2 58.9 9.4 86.3 480 121 B S E -o 457 0F 42 -2,-0.3 -22,-0.2 -24,-0.2 3,-0.1 -0.974 24.9-167.3-158.6 139.7 55.8 7.5 87.5 481 122 B T > > + 0 0 12 -24,-1.8 5,-2.5 -2,-0.3 3,-1.1 0.115 60.9 113.4-112.1 22.6 53.9 6.6 90.6 482 123 B K G > 5 + 0 0 123 1,-0.3 3,-2.1 -25,-0.2 -1,-0.1 0.863 68.9 61.2 -56.5 -40.9 51.7 4.0 88.9 483 124 B A G 3 5S+ 0 0 113 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.776 106.9 47.2 -65.1 -22.6 53.2 1.1 90.7 484 125 B N G X 5S- 0 0 73 -3,-1.1 3,-1.1 4,-0.1 -1,-0.3 -0.076 125.1-101.0-105.2 31.4 52.0 2.7 93.9 485 126 B S T < 5 - 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0 0 2 -41,-0.2 3,-1.9 -142,-0.1 -141,-0.1 0.038 55.5 -78.8 -58.6 171.0 36.8 23.6 92.8 698 339 B N T 3 S+ 0 0 4 1,-0.3 -142,-0.1 -142,-0.0 -1,-0.1 0.829 129.1 47.1 -46.2 -44.8 36.9 27.4 93.3 699 340 B A T 3 S+ 0 0 19 -327,-0.3 -1,-0.3 2,-0.1 -324,-0.2 0.535 81.5 106.3 -84.9 -5.8 33.2 27.9 93.1 700 341 B V S < S- 0 0 2 -3,-1.9 -71,-0.1 -328,-0.2 2,-0.1 -0.602 76.5-123.7 -71.7 122.7 32.2 25.1 95.5 701 342 B P >> - 0 0 79 0, 0.0 4,-1.3 0, 0.0 3,-1.1 -0.371 4.6-124.7 -77.9 152.0 31.1 27.0 98.6 702 343 B I H 3> S+ 0 0 68 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.867 110.7 63.0 -59.8 -33.8 32.7 26.4 102.0 703 344 B D H 3> S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.841 100.6 52.2 -63.5 -25.5 29.2 25.8 103.4 704 345 B A H <> S+ 0 0 5 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.894 109.4 49.6 -71.7 -38.4 28.9 22.7 101.1 705 346 B C H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.903 110.8 49.9 -64.8 -41.1 32.3 21.4 102.4 706 347 B I H X S+ 0 0 49 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.936 109.2 51.7 -62.8 -42.8 31.0 22.0 106.0 707 348 B A H X S+ 0 0 22 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.891 107.9 52.3 -61.4 -40.2 27.8 20.1 105.1 708 349 B L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.922 109.0 49.9 -59.5 -46.7 30.0 17.2 103.8 709 350 B R H X S+ 0 0 78 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.932 110.6 49.7 -54.3 -48.2 31.9 17.1 107.0 710 351 B E H X S+ 0 0 102 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.905 110.7 49.7 -63.6 -39.1 28.7 17.0 109.0 711 352 B L H X S+ 0 0 15 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.911 111.2 49.8 -59.9 -42.3 27.4 14.2 106.9 712 353 B M H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.885 112.2 46.8 -67.1 -40.4 30.6 12.3 107.3 713 354 B I H X S+ 0 0 92 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.941 114.2 46.8 -67.8 -45.9 30.6 12.7 111.1 714 355 B Q H X S+ 0 0 105 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.891 110.8 52.9 -63.8 -39.6 26.9 11.7 111.4 715 356 B F H X S+ 0 0 21 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.924 110.3 46.8 -65.6 -42.8 27.4 8.7 109.2 716 357 B K H >< S+ 0 0 69 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.920 111.2 52.5 -61.9 -42.6 30.3 7.4 111.2 717 358 B E H 3< S+ 0 0 141 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.846 113.4 44.1 -62.1 -34.2 28.3 7.9 114.5 718 359 B N H 3< 0 0 108 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.405 360.0 360.0 -92.9 -0.6 25.4 6.0 113.1 719 360 B A << 0 0 101 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.695 360.0 360.0 -79.9 360.0 27.4 3.1 111.6