==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-SEP-12 4H9U . COMPND 2 MOLECULE: PHOSPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR B.XUE,J.Y.CHOW,W.S.YEW,R.C.ROBINSON . 646 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 460 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 34 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 2 3 6 0 2 2 0 2 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 7 6 1 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 3 A E 0 0 182 0, 0.0 11,-2.9 0, 0.0 12,-0.4 0.000 360.0 360.0 360.0 -33.1 16.6 1.1 2.0 2 4 A M E -A 11 0A 94 9,-0.3 2,-0.3 10,-0.1 0, 0.0 -0.772 360.0-166.4-108.6 157.2 17.4 2.7 5.4 3 5 A V E -A 10 0A 12 7,-2.0 7,-2.3 -2,-0.3 2,-0.6 -0.990 29.3-113.5-133.8 144.7 15.3 4.9 7.8 4 6 A E E +A 9 0A 50 -2,-0.3 88,-0.3 5,-0.2 2,-0.2 -0.676 37.9 177.0 -80.9 118.4 16.7 6.9 10.8 5 7 A T E > -A 8 0A 1 3,-2.4 3,-1.9 -2,-0.6 133,-0.5 -0.590 50.0 -96.3-105.9 175.7 15.6 5.5 14.2 6 8 A V T 3 S+ 0 0 2 84,-3.2 74,-0.1 1,-0.3 85,-0.1 0.682 128.8 50.1 -66.2 -15.8 16.7 6.8 17.6 7 9 A C T 3 S- 0 0 72 1,-0.5 -1,-0.3 83,-0.3 84,-0.1 0.098 126.2 -91.8-105.1 17.2 19.3 4.0 17.6 8 10 A G E < S-A 5 0A 19 -3,-1.9 -3,-2.4 130,-0.2 -1,-0.5 -0.505 73.5 -14.1 103.3-172.2 20.6 4.9 14.1 9 11 A P E -A 4 0A 73 0, 0.0 -5,-0.2 0, 0.0 -7,-0.0 -0.364 59.5-172.3 -70.7 143.0 19.8 3.8 10.5 10 12 A V E -A 3 0A 19 -7,-2.3 -7,-2.0 -2,-0.1 2,-0.1 -0.998 31.5-103.5-137.5 137.8 17.7 0.6 10.1 11 13 A P E > -A 2 0A 31 0, 0.0 3,-1.8 0, 0.0 -9,-0.3 -0.418 25.8-136.5 -59.1 132.9 16.7 -1.3 6.9 12 14 A V G > S+ 0 0 7 -11,-2.9 3,-1.7 1,-0.3 4,-0.4 0.847 104.5 64.2 -59.5 -35.2 13.1 -0.5 6.0 13 15 A E G 3 S+ 0 0 189 -12,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.720 99.8 54.4 -61.1 -20.9 12.6 -4.2 5.4 14 16 A Q G < S+ 0 0 127 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.432 79.9 91.1 -94.5 0.0 13.3 -4.8 9.1 15 17 A L < + 0 0 2 -3,-1.7 47,-0.2 -4,-0.2 74,-0.2 0.873 62.0 168.8 -63.5 -36.7 10.6 -2.4 10.4 16 18 A G + 0 0 29 -4,-0.4 2,-0.2 -3,-0.3 -1,-0.1 -0.209 51.9 11.6 60.0-151.7 8.0 -5.1 10.6 17 19 A K S S- 0 0 62 43,-0.4 45,-2.9 301,-0.1 46,-2.0 -0.431 82.5-170.7 -65.3 125.0 4.7 -4.5 12.4 18 20 A T E -b 63 0B 3 296,-2.3 2,-0.6 -2,-0.2 46,-0.2 -0.935 31.0-146.9-130.1 135.6 4.5 -0.8 13.1 19 21 A L E -b 64 0B 0 44,-2.4 46,-2.6 -2,-0.4 3,-0.3 -0.952 19.2-157.6 -96.6 121.3 2.4 1.6 15.1 20 22 A I S S+ 0 0 3 241,-0.9 2,-0.2 -2,-0.6 242,-0.1 0.584 73.5 28.1 -79.3 -10.5 2.4 4.8 13.0 21 23 A H + 0 0 1 240,-0.2 243,-2.2 45,-0.1 242,-0.5 -0.614 69.5 128.8-160.9 93.7 1.6 7.3 15.9 22 24 A E - 0 0 0 43,-2.1 2,-0.6 -3,-0.3 46,-0.2 -0.994 38.0-139.9-143.7 146.6 2.2 7.0 19.6 23 25 A H E -d 266 0C 2 242,-3.0 244,-3.0 -2,-0.3 245,-0.3 -0.939 13.7-177.4-111.4 119.6 3.8 9.3 22.3 24 26 A F E S+ 0 0 1 -2,-0.6 244,-1.5 1,-0.3 2,-0.3 0.939 86.9 15.1 -68.5 -49.3 6.1 7.9 25.0 25 27 A L E S+d 268 0C 5 242,-0.2 2,-0.3 241,-0.1 -1,-0.3 -0.944 73.2 166.8-120.4 146.7 6.3 11.5 26.4 26 28 A F E +d 269 0C 7 242,-1.8 244,-3.4 -2,-0.3 2,-0.3 -0.940 5.6 174.9-155.1 138.1 4.1 14.5 25.7 27 29 A G - 0 0 0 45,-1.7 244,-0.1 -2,-0.3 47,-0.1 -0.997 32.7-118.1-138.6 145.0 3.6 17.9 27.3 28 30 A Y > - 0 0 19 242,-0.4 3,-2.1 -2,-0.3 4,-0.1 -0.662 52.0 -87.7 -75.9 138.7 1.5 20.8 26.2 29 31 A P T 3 S+ 0 0 0 0, 0.0 401,-1.6 0, 0.0 -1,-0.1 -0.181 119.6 42.6 -47.5 127.5 3.7 23.9 25.6 30 32 A G T > S+ 0 0 0 399,-0.2 3,-1.1 400,-0.1 4,-0.4 0.130 76.3 109.7 114.2 -15.6 4.0 25.7 28.9 31 33 A F G X S+ 0 0 29 -3,-2.1 3,-1.2 1,-0.3 7,-0.1 0.797 71.4 66.1 -61.0 -28.1 4.6 22.5 30.9 32 34 A Q G > S+ 0 0 52 1,-0.3 3,-1.0 -4,-0.1 -1,-0.3 0.842 94.0 57.4 -61.7 -34.9 8.3 23.7 31.3 33 35 A G G < S+ 0 0 1 -3,-1.1 3,-0.3 1,-0.3 -1,-0.3 0.614 98.9 60.2 -74.0 -9.9 7.1 26.7 33.4 34 36 A D G <> + 0 0 0 -3,-1.2 4,-1.5 -4,-0.4 -1,-0.3 -0.098 67.6 128.9-107.2 30.5 5.5 24.4 35.9 35 37 A V T <4 + 0 0 46 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.759 61.9 60.3 -59.8 -28.6 8.8 22.7 36.7 36 38 A T T 4 S+ 0 0 20 -3,-0.3 3,-0.4 1,-0.2 -1,-0.2 0.972 122.0 20.6 -71.9 -50.3 8.5 23.1 40.4 37 39 A R T 4 S+ 0 0 79 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.482 132.1 47.2 -90.8 -2.5 5.3 21.1 40.9 38 40 A G S < S+ 0 0 7 -4,-1.5 233,-0.5 234,-0.2 -1,-0.2 -0.304 75.1 160.3-134.5 48.5 5.6 19.2 37.6 39 41 A T - 0 0 57 -3,-0.4 2,-0.9 1,-0.1 -3,-0.1 -0.349 46.9-101.9 -82.7 159.2 9.1 18.0 37.4 40 42 A F - 0 0 65 1,-0.1 2,-1.4 230,-0.1 -1,-0.1 -0.693 25.6-155.4 -87.2 104.8 10.2 15.2 35.1 41 43 A R > - 0 0 139 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 -0.642 14.0-173.2 -84.6 91.3 10.6 12.0 37.1 42 44 A E H > S+ 0 0 56 -2,-1.4 4,-2.8 2,-0.2 5,-0.2 0.880 74.8 44.5 -56.6 -55.0 13.1 10.2 34.8 43 45 A D H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.925 117.8 44.1 -61.4 -49.4 13.3 6.7 36.4 44 46 A E H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 114.3 51.1 -61.2 -42.2 9.6 6.4 36.8 45 47 A S H X S+ 0 0 10 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.918 108.8 50.3 -63.4 -42.4 8.9 7.8 33.3 46 48 A L H X S+ 0 0 25 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.866 109.7 52.7 -63.8 -35.9 11.4 5.3 31.7 47 49 A R H X S+ 0 0 151 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.959 110.9 45.2 -60.0 -54.9 9.7 2.5 33.6 48 50 A V H X S+ 0 0 51 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.906 115.6 48.0 -56.0 -45.6 6.3 3.5 32.3 49 51 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.917 111.1 49.2 -64.7 -46.3 7.6 3.9 28.8 50 52 A V H X S+ 0 0 21 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.899 111.2 51.1 -61.9 -39.8 9.5 0.6 28.7 51 53 A E H X S+ 0 0 78 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.912 108.6 49.9 -64.1 -44.4 6.4 -1.1 29.9 52 54 A A H X S+ 0 0 7 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.935 110.9 51.5 -57.2 -45.7 4.3 0.4 27.2 53 55 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.918 108.6 50.7 -58.2 -45.8 6.9 -0.7 24.7 54 56 A E H X S+ 0 0 49 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.891 107.0 53.7 -62.0 -39.8 6.8 -4.3 26.1 55 57 A K H X S+ 0 0 78 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.875 111.1 46.8 -60.8 -38.5 3.0 -4.4 25.8 56 58 A M H ><>S+ 0 0 1 -4,-1.8 5,-2.6 2,-0.2 3,-1.0 0.919 110.2 51.8 -66.6 -46.9 3.3 -3.4 22.1 57 59 A K H ><5S+ 0 0 73 -4,-2.6 3,-2.1 1,-0.3 -2,-0.2 0.882 103.4 60.4 -56.1 -39.2 6.1 -6.0 21.5 58 60 A R H 3<5S+ 0 0 146 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.774 103.6 49.5 -61.8 -27.2 3.8 -8.6 23.0 59 61 A H T <<5S- 0 0 53 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.221 130.8 -97.1 -96.3 15.3 1.3 -7.8 20.3 60 62 A G T < 5S+ 0 0 42 -3,-2.1 -43,-0.4 1,-0.3 2,-0.4 0.490 71.6 152.8 89.9 4.8 4.0 -8.2 17.7 61 63 A I < + 0 0 1 -5,-2.6 -1,-0.3 1,-0.2 -43,-0.2 -0.543 12.4 167.9 -70.1 128.0 4.9 -4.5 17.3 62 64 A Q + 0 0 67 -45,-2.9 27,-2.6 -2,-0.4 2,-0.4 0.627 61.7 40.4-107.9 -26.2 8.5 -4.1 16.3 63 65 A T E -bc 18 89B 0 -46,-2.0 -44,-2.4 25,-0.2 2,-0.4 -0.984 57.2-170.0-131.9 139.0 8.5 -0.4 15.3 64 66 A V E -bc 19 90B 0 25,-3.2 27,-2.4 -2,-0.4 2,-0.6 -0.992 13.6-150.8-127.3 131.3 6.9 2.8 16.7 65 67 A V E - c 0 91B 0 -46,-2.6 -43,-2.1 -2,-0.4 27,-0.2 -0.879 14.2-169.8 -91.1 119.4 6.7 6.3 15.1 66 68 A D E - c 0 92B 3 25,-3.0 27,-0.6 -2,-0.6 -43,-0.1 -0.905 5.1-177.6-110.2 101.9 6.7 8.8 17.9 67 69 A P + 0 0 0 0, 0.0 -44,-0.1 0, 0.0 25,-0.1 -0.008 17.3 159.1 -96.2 34.4 5.8 12.1 16.3 68 70 A T - 0 0 3 -46,-0.2 25,-0.3 -43,-0.1 27,-0.1 -0.381 43.5-118.7 -57.3 121.1 6.1 14.3 19.4 69 71 A P > > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 5,-1.2 -0.208 17.2-113.3 -62.9 151.8 6.6 17.9 18.2 70 72 A N G > 5S+ 0 0 11 25,-3.2 3,-0.5 1,-0.3 26,-0.2 0.797 119.2 48.9 -51.3 -37.1 9.8 19.8 19.2 71 73 A D G 3 5S+ 0 0 0 24,-0.4 -1,-0.3 1,-0.2 25,-0.1 0.439 101.5 65.7 -89.2 2.0 7.7 22.2 21.2 72 74 A C G < 5S- 0 0 0 -3,-1.8 -45,-1.7 -43,-0.1 -1,-0.2 -0.113 126.3 -79.5-113.4 33.5 5.8 19.4 23.1 73 75 A G T < 5 + 0 0 16 -3,-0.5 -3,-0.2 1,-0.2 -2,-0.1 0.661 61.9 179.5 84.6 14.4 8.6 17.9 25.0 74 76 A R < - 0 0 29 -5,-1.2 -1,-0.2 -47,-0.1 -48,-0.1 -0.231 1.7-178.6 -47.8 133.3 10.3 15.7 22.3 75 77 A N > + 0 0 54 1,-0.1 4,-2.1 -50,-0.1 3,-0.5 -0.691 14.0 179.6-144.9 87.5 13.3 14.0 23.9 76 78 A P H > S+ 0 0 10 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.820 82.7 57.0 -64.8 -31.8 15.3 11.8 21.5 77 79 A A H > S+ 0 0 37 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.893 108.4 47.3 -67.1 -40.5 17.8 10.7 24.2 78 80 A F H > S+ 0 0 1 -3,-0.5 4,-2.0 2,-0.2 3,-0.3 0.918 110.6 52.0 -63.1 -45.0 15.0 9.4 26.3 79 81 A L H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.929 105.4 56.1 -56.6 -44.1 13.5 7.6 23.3 80 82 A R H X S+ 0 0 75 -4,-2.6 4,-2.5 1,-0.3 -1,-0.2 0.817 105.9 51.4 -59.9 -33.2 16.9 6.0 22.7 81 83 A R H X S+ 0 0 101 -4,-1.3 4,-1.9 -3,-0.3 -1,-0.3 0.897 108.5 50.1 -69.2 -41.9 16.9 4.6 26.2 82 84 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 6,-0.3 0.924 115.5 44.3 -60.1 -42.7 13.4 3.1 25.7 83 85 A A H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.903 109.4 53.5 -68.6 -45.2 14.6 1.5 22.4 84 86 A E H < S+ 0 0 136 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.914 113.5 46.5 -56.4 -41.8 18.0 0.2 23.8 85 87 A E H < S+ 0 0 126 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.861 123.6 28.7 -69.0 -41.1 16.1 -1.5 26.6 86 88 A T H < S- 0 0 7 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.579 94.0-125.2-101.9 -13.4 13.3 -3.1 24.6 87 89 A G < + 0 0 49 -4,-2.6 -3,-0.1 1,-0.3 2,-0.1 0.513 63.4 142.8 74.2 3.1 14.9 -3.7 21.1 88 90 A L - 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0 0 4 -6,-0.3 2,-0.5 -5,-0.2 -1,-0.3 -0.452 53.7-123.7 -68.2 141.2 24.8 42.1 42.7 413 91 B N E -m 387 0G 32 -27,-2.5 -25,-2.5 -74,-0.2 2,-0.4 -0.793 30.6-171.5 -81.0 131.3 21.5 41.3 44.3 414 92 B I E -m 388 0G 0 -2,-0.5 -84,-3.2 -27,-0.2 2,-0.5 -0.995 7.9-165.9-126.8 126.4 19.2 39.7 41.8 415 93 B I E -m 389 0G 0 -27,-2.4 -25,-2.7 -2,-0.4 2,-0.2 -0.927 12.1-163.6-106.6 130.0 15.5 39.0 42.6 416 94 B C - 0 0 0 -2,-0.5 48,-2.5 46,-0.4 49,-1.3 -0.518 7.8-128.8-110.8-179.2 13.7 36.7 40.2 417 95 B A E -o 465 0I 0 -27,-0.5 2,-0.4 -25,-0.3 49,-0.2 -0.725 6.7-139.3-125.5 171.5 10.0 36.1 39.6 418 96 B T E +o 466 0I 0 47,-1.5 49,-3.1 -2,-0.2 2,-0.2 -0.998 56.6 89.4-131.0 131.5 7.3 33.5 39.4 419 97 B G - 0 0 0 -2,-0.4 -25,-3.4 47,-0.2 -24,-0.4 -0.834 62.6-102.7 160.8 162.1 4.7 34.0 36.7 420 98 B Y - 0 0 4 47,-0.4 49,-0.2 -2,-0.2 3,-0.1 -0.834 37.6-107.6-109.1 152.0 3.8 33.3 33.1 421 99 B Y - 0 0 11 -2,-0.3 48,-0.2 1,-0.1 5,-0.2 -0.064 51.6 -74.4 -64.4 173.5 4.0 35.6 30.1 422 100 B Y >> - 0 0 12 48,-0.2 3,-0.7 46,-0.1 4,-0.6 -0.267 47.1-106.3 -70.6 162.8 0.9 37.1 28.5 423 101 B E G >4 S+ 0 0 54 1,-0.2 3,-1.7 46,-0.2 -1,-0.1 0.950 112.3 56.2 -57.6 -55.5 -1.4 34.9 26.3 424 102 B G G 34 S+ 0 0 55 1,-0.3 -1,-0.2 3,-0.1 47,-0.0 0.684 126.6 18.0 -55.0 -28.8 -0.4 36.3 22.9 425 103 B E G <4 S+ 0 0 40 -3,-0.7 -1,-0.3 -321,-0.0 -2,-0.2 0.087 113.1 82.0-131.3 22.5 3.3 35.6 23.3 426 104 B G S << S- 0 0 1 -3,-1.7 -4,-0.1 -4,-0.6 -3,-0.1 -0.268 89.8 -97.1-103.9-161.1 3.4 33.1 26.1 427 105 B A > + 0 0 3 1,-0.1 3,-0.8 -2,-0.1 4,-0.4 -0.621 51.3 160.5-119.1 71.2 2.9 29.4 26.2 428 106 B P T 3> + 0 0 22 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.633 49.0 87.5 -63.6 -21.7 -0.9 29.1 27.2 429 107 B P H 3> S+ 0 0 4 0, 0.0 4,-1.5 0, 0.0 -399,-0.2 0.774 86.6 54.5 -58.6 -26.5 -1.7 25.5 26.1 430 108 B Y H <> S+ 0 0 6 -401,-1.6 4,-1.6 -3,-0.8 3,-0.1 0.979 116.5 31.8 -72.2 -56.1 -0.6 24.0 29.3 431 109 B F H > S+ 0 0 0 -4,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.733 113.4 63.3 -74.6 -21.8 -2.6 25.9 31.8 432 110 B Q H X S+ 0 0 47 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.884 104.6 49.5 -60.3 -39.6 -5.5 26.3 29.2 433 111 B F H X S+ 0 0 23 -4,-1.5 4,-1.4 -5,-0.3 3,-0.3 0.927 108.1 51.0 -65.0 -44.9 -5.6 22.5 29.5 434 112 B R H <>S+ 0 0 10 -4,-1.6 5,-2.4 1,-0.2 6,-0.8 0.751 103.1 61.2 -68.2 -20.6 -5.7 22.6 33.3 435 113 B R H ><5S+ 0 0 103 -4,-1.3 3,-1.5 4,-0.2 -1,-0.2 0.913 101.2 52.1 -65.4 -43.2 -8.6 25.1 33.0 436 114 B L H 3<5S+ 0 0 146 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.847 107.5 52.0 -60.9 -34.4 -10.6 22.4 31.2 437 115 B L T 3<5S- 0 0 29 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.520 115.4-126.0 -74.5 -8.1 -9.8 20.1 34.2 438 116 B G T < 5S+ 0 0 59 -3,-1.5 -3,-0.2 -5,-0.2 -2,-0.1 0.686 88.2 93.6 70.8 21.5 -11.1 23.0 36.4 439 117 B T >< + 0 0 51 -5,-2.4 4,-2.2 -8,-0.1 -4,-0.2 0.312 46.8 105.9-120.8 7.7 -8.0 23.2 38.5 440 118 B A H > S+ 0 0 3 -6,-0.8 4,-3.1 1,-0.2 3,-0.3 0.938 78.8 46.6 -61.1 -57.2 -6.0 25.9 36.7 441 119 B E H > S+ 0 0 51 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.883 116.9 46.0 -54.0 -42.6 -6.4 28.9 39.0 442 120 B D H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.816 112.0 50.1 -72.2 -33.9 -5.6 26.7 42.1 443 121 B D H X S+ 0 0 22 -4,-2.2 4,-2.6 -3,-0.3 -2,-0.2 0.913 112.1 48.1 -68.3 -44.0 -2.6 25.1 40.4 444 122 B I H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.955 112.6 48.5 -58.0 -52.7 -1.2 28.5 39.4 445 123 B Y H X S+ 0 0 44 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.931 111.2 51.0 -48.8 -50.8 -1.8 29.7 43.0 446 124 B D H X S+ 0 0 50 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.880 110.2 49.6 -57.8 -40.3 -0.0 26.5 44.2 447 125 B M H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.927 111.2 48.6 -64.8 -46.7 2.9 27.2 41.9 448 126 B F H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 5,-0.3 0.973 112.9 47.3 -54.2 -55.8 3.2 30.8 43.1 449 127 B M H X S+ 0 0 32 -4,-2.9 4,-2.2 1,-0.2 5,-0.3 0.903 113.6 49.1 -55.4 -45.4 3.1 29.8 46.8 450 128 B A H X>S+ 0 0 0 -4,-2.3 5,-2.8 -5,-0.2 4,-2.1 0.883 114.1 43.3 -62.3 -44.7 5.7 27.1 46.2 451 129 B E H <5S+ 0 0 0 -4,-2.5 12,-3.2 3,-0.2 -1,-0.2 0.710 119.1 44.3 -77.2 -21.0 8.2 29.3 44.3 452 130 B L H <5S+ 0 0 16 -4,-2.1 -2,-0.2 10,-0.2 -1,-0.2 0.793 129.8 21.2 -90.0 -32.1 7.8 32.2 46.8 453 131 B T H <5S+ 0 0 61 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.610 134.8 23.6-116.1 -15.5 7.9 30.2 50.0 454 132 B E T <5S- 0 0 113 -4,-2.1 2,-0.2 -5,-0.3 -3,-0.2 0.740 106.5 -87.4-118.6 -54.8 9.6 26.8 49.3 455 133 B G < - 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