HEADER RIFAMYCIN BIOSYNTHESIS (RIFD GENE) 11-FEB-99 1B9H . COMPND 2 MOLECULE: PROTEIN (3-AMINO-5-HYDROXYBENZOIC ACID SYNTHASE); . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS MEDITERRANEI; . AUTHOR J.C.EADS,M.BEEBY,G.SCAPIN,T.-W.YU,H.G.FLOSS . flagSetFrame DONE ==== Generated by WOLFc v1.01 (last modified 28.04.2002) . ==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-NOV-2009 . ==== REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . 384 # 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 X-CB Y-CB Z-CB N-H.O=C C=O.H-N N-H.O=C C=O.H-N N-H.O=C C=O.H-N X1 Y1 Z1 X2 Y2 Z2 X3 Y3 Z3 1 5 A K 0 0 248 0, 0.0 3,-0.1 0, 0.0 371,-0.0 0.000 360.0 360.0 360.0 -38.1 13.9 63.1 30.8 12.6 63.0 31.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2451 -0.9081 0.3395 0.9617 0.2719 0.0331 -0.1224 0.3184 0.9400 2 6 A A - 0 0 55 1,-0.1 310,-0.1 374,-0.0 2,-0.1 0.000 360.0-115.7 -54.0 125.7 13.9 60.0 28.7 13.1 59.9 27.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6976 -0.6395 -0.3230 0.0882 -0.3708 0.9245 -0.7110 -0.6734 -0.2023 3 7 A P - 0 0 14 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.000 28.6-140.8 -63.3 131.4 17.3 58.3 28.9 17.4 57.0 29.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6983 -0.2781 -0.6595 0.2707 0.9556 -0.1163 0.6626 -0.0973 0.7426 4 8 A E - 0 0 168 -3,-0.1 365,-0.1 -2,-0.1 309,-0.0 0.000 14.8-158.0 -98.7 144.7 19.0 58.2 25.5 19.4 59.5 24.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5743 -0.5537 -0.6030 -0.6900 -0.7237 0.0074 -0.4405 0.4118 -0.7977 5 9 A F - 0 0 23 -2,-0.4 357,-0.2 1,-0.1 356,-0.1 0.000 29.6 -86.7-118.8 160.6 21.1 55.2 24.3 20.3 53.8 24.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7354 -0.3872 -0.5560 0.6602 0.5943 0.4593 0.1526 -0.7049 0.6927 6 10 A P - 0 0 41 0, 0.0 358,-0.1 0, 0.0 -1,-0.1 0.000 52.9-103.2 -61.8 145.5 23.8 54.8 21.7 25.1 54.0 22.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0085 -0.2374 -0.9714 -0.3898 0.8938 -0.2218 0.9208 0.3806 -0.0849 7 11 A A - 0 0 63 2,-0.0 3,-0.1 0, 0.0 0, 0.0 0.000 36.5-117.7 -59.8 159.7 22.7 54.2 18.1 23.1 55.2 17.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0412 -0.7622 -0.6460 -0.7896 -0.3713 0.4884 -0.6122 0.5302 -0.5866 8 12 A W S S+ 0 0 30 1,-0.2 2,-0.1 2,-0.0 175,-0.0 0.000 89.2 32.8-156.4 134.1 22.7 50.8 16.3 22.3 49.6 17.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1701 -0.6045 -0.7783 0.7696 0.4118 -0.4880 0.6155 -0.6820 0.3951 9 13 A P S S- 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.000 83.9-160.9 -66.6 175.4 24.1 49.9 14.0 24.4 49.3 12.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9159 0.3911 0.0906 -0.0456 -0.1230 0.9914 0.3989 -0.9121 -0.0948 10 14 A Q + 0 0 58 -2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.000 17.2 158.7-118.3 151.5 27.3 51.9 14.4 28.1 51.8 15.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8300 0.3400 -0.4421 -0.5523 0.6115 -0.5667 0.0776 0.7145 0.6953 11 15 A Y + 0 0 147 -2,-0.3 2,-0.2 3,-0.0 229,-0.0 0.000 9.9 172.6-157.7 172.6 30.0 52.8 11.8 29.3 52.8 10.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7947 0.4815 -0.3697 0.5958 -0.5021 0.6268 0.1162 -0.7184 -0.6859 12 16 A D >> - 0 0 80 -2,-0.3 4,-1.5 0, 0.0 3,-0.8 0.000 65.1 -41.7-157.0-144.6 32.7 55.3 11.1 33.6 55.4 12.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6609 0.4654 -0.5887 -0.7502 0.4296 -0.5026 0.0190 0.7738 0.6331 13 17 A D H 3> S+ 0 0 103 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.000 125.5 69.2 -69.0 -24.4 35.5 55.6 8.5 36.8 56.5 8.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4840 -0.5701 -0.6639 -0.8395 -0.0883 -0.5362 0.2470 0.8168 -0.5213 14 18 A A H 3> S+ 0 0 39 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.000 104.4 41.6 -58.9 -46.6 36.3 52.0 8.7 36.3 51.1 9.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2734 -0.7569 -0.5936 0.5655 0.3728 -0.7357 0.7781 -0.5368 0.3261 15 19 A E H <> S+ 0 0 10 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.000 115.4 51.8 -61.6 -50.6 32.9 51.2 7.0 31.5 51.4 7.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3754 0.1498 -0.9147 0.6142 -0.6989 -0.3665 -0.6941 -0.6994 0.1704 16 20 A R H X S+ 0 0 129 -4,-1.5 4,-1.8 1,-0.2 3,-0.2 0.000 113.2 41.7 -53.1 -56.7 33.4 54.2 4.6 33.7 55.6 5.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5256 0.1545 -0.8366 -0.6403 -0.5757 -0.5086 -0.5602 0.8029 -0.2037 17 21 A N H X S+ 0 0 100 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.000 112.7 57.8 -58.7 -37.1 36.8 53.1 3.4 38.2 53.1 4.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3444 -0.7528 -0.5610 -0.4318 0.4036 -0.8066 0.8336 0.5201 -0.1860 18 22 A G H X S+ 0 0 0 -4,-1.3 4,-2.5 -5,-0.3 -1,-0.2 0.000 105.5 46.9 -61.5 -46.4 35.6 49.5 3.3 34.9 48.8 4.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4320 -0.6098 -0.6645 0.8428 -0.0108 -0.5381 0.3209 -0.7925 0.5186 19 23 A L H X S+ 0 0 69 -4,-2.2 4,-2.7 -3,-0.2 -2,-0.2 0.000 114.2 48.7 -65.9 -42.5 32.8 50.2 0.9 31.6 51.1 1.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1037 0.2094 -0.9723 0.2486 -0.9411 -0.2292 -0.9630 -0.2655 0.0455 20 24 A V H X S+ 0 0 71 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.000 110.4 50.8 -61.2 -46.7 35.1 52.2 -1.4 35.9 53.4 -0.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7386 -0.2273 -0.6347 -0.6716 -0.3300 -0.6634 -0.0587 0.9162 -0.3963 21 25 A R H X S+ 0 0 105 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.000 113.0 46.4 -59.2 -45.2 37.8 49.4 -1.3 38.5 48.9 -0.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0842 -0.8763 -0.4744 0.1424 0.4818 -0.8646 0.9862 0.0052 0.1654 22 26 A A H >< S+ 0 0 0 -4,-2.5 3,-0.6 2,-0.2 5,-0.4 0.000 114.1 47.8 -62.8 -51.3 35.1 46.9 -2.2 33.9 46.4 -1.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4641 -0.2185 -0.8584 0.8623 -0.3332 -0.3814 -0.2026 -0.9172 0.3431 23 27 A L H >< S+ 0 0 84 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.000 109.1 54.1 -51.4 -47.7 33.8 49.1 -5.0 33.2 50.5 -4.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3379 0.2281 -0.9131 -0.2257 -0.9223 -0.3139 -0.9137 0.3121 -0.2602 24 28 A E H 3< S+ 0 0 147 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.000 86.8 76.3 -75.7 -8.1 37.3 49.9 -6.4 38.2 50.9 -5.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7647 -0.3780 -0.5218 -0.6015 -0.1284 -0.7885 0.2311 0.9168 -0.3256 25 29 A Q T << S- 0 0 60 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.1 0.000 95.3-140.7 -63.4 -26.1 38.2 46.2 -6.8 37.7 45.1 -5.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0538 -0.6095 -0.7910 0.8141 0.4319 -0.3882 0.5783 -0.6648 0.4729 26 30 A G S < S+ 0 0 44 -3,-1.9 2,-0.4 -4,-0.4 -2,-0.1 0.000 77.8 85.5 76.6 -0.1 35.9 46.5 -9.9 36.9 46.6 -10.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5584 -0.5825 -0.5906 -0.8288 0.4230 0.3664 0.0363 0.6941 -0.7190 27 31 A Q - 0 0 101 -5,-0.4 -2,-0.2 -4,-0.1 -1,-0.1 0.000 55.3-175.4-137.6 122.4 34.5 43.0 -9.1 35.6 41.9 -9.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5491 -0.6281 0.5512 -0.8342 0.3724 -0.4067 0.0502 -0.6832 -0.7285 28 32 A W + 0 0 129 -2,-0.4 207,-1.9 5,-0.1 208,-0.4 0.000 56.6 74.3-114.1 7.8 31.7 42.7 -6.6 30.6 43.8 -6.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5514 -0.4477 0.7039 0.8243 -0.1624 0.5424 -0.1285 0.8793 0.4586 29 33 A W B >> S-A 234 0A 112 205,-0.2 3,-1.3 206,-0.1 4,-1.2 0.000 90.9-104.8-116.2 162.0 31.1 39.0 -6.0 30.3 38.1 -7.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3585 -0.8239 0.4389 -0.0932 0.4362 0.8950 -0.9289 -0.3618 0.0796 30 34 A R T 34 S+ 0 0 5 203,-0.5 7,-0.2 -2,-0.3 204,-0.1 0.000 113.9 63.8 -60.2 -27.0 33.4 36.7 -4.0 32.9 35.6 -3.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8474 -0.5116 -0.1418 0.5067 0.8592 -0.0716 0.1585 -0.0111 0.9873 31 35 A M T 34 S+ 0 0 54 1,-0.2 -1,-0.3 3,-0.0 -4,-0.0 0.000 115.2 29.1 -74.6 -18.2 34.9 35.0 -7.1 34.1 34.3 -8.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7594 0.1651 -0.6294 0.6497 -0.1391 0.7474 0.0358 -0.9764 -0.2129 32 36 A G T <4 S+ 0 0 38 -3,-1.3 -1,-0.2 0, 0.0 -2,-0.2 0.000 119.1 50.6-113.2 -14.0 36.5 38.2 -8.4 35.8 39.1 -9.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6484 0.7410 0.1747 0.7271 -0.6707 0.1463 0.2256 0.0322 -0.9737 33 37 A G < - 0 0 11 -4,-1.2 -5,-0.1 -7,-0.1 4,-0.1 0.000 66.7-136.3-110.7-171.8 37.2 40.2 -5.2 36.1 41.1 -4.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5175 0.0579 0.8537 0.8552 -0.0003 -0.5183 -0.0298 0.9983 -0.0497 34 38 A D S > S+ 0 0 82 -2,-0.2 4,-2.3 2,-0.1 5,-0.2 0.000 77.5 90.2-125.7 3.1 38.8 39.5 -1.8 40.3 39.8 -1.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0202 -0.1381 0.9902 -0.6504 -0.7504 -0.1179 0.7593 -0.6464 -0.0747 35 39 A E H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.000 92.4 43.3 -68.1 -44.4 36.6 40.9 0.8 35.6 42.1 0.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5189 -0.3274 0.7896 0.8515 -0.2795 0.4437 0.0754 0.9026 0.4239 36 40 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.000 115.3 51.0 -65.0 -43.7 34.4 37.9 1.4 33.4 37.2 0.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1741 -0.8737 0.4543 0.0733 0.4715 0.8788 -0.9820 -0.1197 0.1461 37 41 A N H > S+ 0 0 47 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.000 114.7 42.5 -58.7 -48.1 37.5 35.7 1.3 38.5 35.4 0.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7062 -0.2443 0.6646 -0.6873 -0.4618 0.5606 0.1700 -0.8527 -0.4940 38 42 A S H X S+ 0 0 24 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.000 111.8 53.7 -62.7 -45.1 39.3 37.9 3.9 39.6 39.3 3.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1289 0.2660 0.9553 0.3577 -0.8860 0.2950 0.9249 0.3797 0.0191 39 43 A F H X S+ 0 0 1 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.000 106.2 55.6 -61.3 -37.4 36.2 38.3 6.1 34.8 38.9 5.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4387 -0.5865 0.6808 0.7743 0.1378 0.6176 -0.4561 0.7981 0.3937 40 44 A E H X S+ 0 0 11 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.000 110.2 42.7 -63.8 -47.0 35.9 34.5 6.2 35.6 33.5 5.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3958 -0.7248 0.5639 -0.4435 0.3869 0.8085 -0.8041 -0.5701 -0.1683 41 45 A R H X S+ 0 0 204 -4,-1.5 4,-2.8 1,-0.2 5,-0.2 0.000 117.0 47.1 -63.6 -45.2 39.4 34.0 7.5 40.7 34.3 6.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4648 0.1830 0.8663 -0.5431 -0.7138 0.4422 0.6993 -0.6760 -0.2324 42 46 A E H X S+ 0 0 70 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.000 114.8 46.9 -59.3 -44.8 39.1 36.9 10.0 38.9 38.3 9.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4897 0.1033 0.8658 0.6359 -0.6370 0.4357 0.5965 0.7639 0.2462 43 47 A F H X S+ 0 0 1 -4,-3.2 4,-1.2 -5,-0.2 -2,-0.2 0.000 114.6 46.0 -66.7 -43.7 35.7 35.7 11.2 34.3 35.6 10.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3354 -0.7007 0.6297 0.4691 0.4554 0.7566 -0.8170 0.5492 0.1760 44 48 A A H ><>S+ 0 0 6 -4,-2.5 5,-3.0 -5,-0.2 3,-0.6 0.000 112.5 49.2 -64.3 -48.9 36.8 32.1 11.6 37.2 31.3 10.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5830 -0.5337 0.6126 -0.6855 0.0815 0.7235 -0.4360 -0.8418 -0.3183 45 49 A A H ><5S+ 0 0 63 -4,-2.8 3,-2.6 3,-0.2 -2,-0.2 0.000 107.5 57.2 -52.6 -49.2 40.1 33.0 13.4 41.1 34.0 12.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1685 0.3211 0.9319 -0.1447 -0.9271 0.3457 0.9750 -0.1931 -0.1098 46 50 A H H 3<5S+ 0 0 51 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.000 113.9 38.0 -58.0 -25.4 38.0 35.2 15.7 37.1 36.4 15.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5713 -0.1312 0.8102 0.8105 -0.2455 0.5318 0.1291 0.9605 0.2466 47 51 A H T <<5S- 0 0 1 -4,-1.2 123,-1.3 -3,-0.6 -1,-0.3 0.000 112.7-117.6-106.3 14.7 35.9 32.2 16.7 34.6 32.0 15.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0086 -0.9248 0.3804 0.3864 0.3540 0.8517 -0.9223 0.1397 0.3604 48 52 A G T < 5 + 0 0 19 -3,-2.6 -3,-0.2 1,-0.1 2,-0.2 0.000 64.7 148.9 52.1 30.3 38.8 29.8 16.7 38.9 29.3 18.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1184 -0.9336 -0.3382 0.5445 0.3459 -0.7641 0.8304 -0.0937 0.5493 49 53 A A < - 0 0 14 -5,-3.0 -1,-0.1 -6,-0.2 3,-0.1 0.000 55.3-132.9 -91.0 158.2 37.1 27.8 13.8 35.9 28.3 13.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2188 -0.6173 -0.7557 0.3856 -0.6567 0.6481 -0.8964 -0.4332 0.0943 50 54 A A S S+ 0 0 40 146,-1.6 2,-0.3 120,-0.3 -1,-0.1 0.000 89.9 8.5 -68.2 -40.5 39.0 25.9 11.1 38.9 24.4 10.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1634 0.1715 -0.9715 0.6202 0.7480 0.2363 0.7672 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0.8 29.3 12.2 -0.1 30.2 11.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1774 -0.5455 -0.8191 0.0678 -0.8235 0.5632 -0.9818 -0.1554 -0.1091 327 331 A A H 3> S+ 0 0 55 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.000 94.8 59.3 -54.9 -38.6 4.0 29.1 10.2 5.1 30.2 10.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6346 -0.7518 -0.1789 -0.6932 -0.4514 -0.5619 0.3417 0.4806 -0.8076 328 332 A F H <4 S+ 0 0 0 -3,-0.7 3,-0.4 -6,-0.4 -1,-0.2 0.000 107.5 44.3 -60.5 -40.8 5.1 26.2 12.3 5.2 26.1 13.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0890 -0.9954 -0.0347 0.5567 -0.0208 -0.8304 0.8259 -0.0933 0.5560 329 333 A W H << S+ 0 0 81 -4,-0.8 4,-0.3 -3,-0.6 -1,-0.2 0.000 91.9 83.5 -80.3 -11.0 2.1 24.1 11.4 0.7 24.3 12.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4449 -0.4565 -0.7705 0.7757 -0.6264 -0.0768 -0.4476 -0.6319 0.6328 330 334 A E H < S+ 0 0 153 -4,-1.4 2,-0.3 -3,-0.3 -1,-0.2 0.000 104.4 2.6 -60.2 -40.0 2.2 24.8 7.7 2.7 26.0 7.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2304 -0.5240 -0.8199 -0.8060 -0.5749 0.1409 -0.5452 0.6284 -0.5548 331 335 A L S < S+ 0 0 102 -4,-0.6 -1,-0.1 -3,-0.4-239,-0.1 0.000 122.7 7.3-145.3 159.8 4.8 22.1 6.9 5.9 22.6 6.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6230 -0.7570 0.1972 -0.7819 -0.6107 0.1257 0.0253 -0.2325 -0.9723 332 336 A G S S+ 0 0 28 -2,-0.3-234,-1.8 1,-0.2 -2,-0.1 0.000 76.5 160.1 41.3 36.1 6.9 19.3 8.6 8.3 19.7 8.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2766 -0.2834 0.9183 -0.6557 -0.7542 -0.0352 0.7025 -0.5924 -0.3944 333 337 A A - 0 0 29 -4,-0.3 -1,-0.2-236,-0.2-234,-0.1 0.000 44.3-102.2 -80.9 159.4 5.1 19.6 11.9 3.7 20.2 12.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1483 -0.5510 0.8212 0.9703 0.0795 0.2285 -0.1912 0.8307 0.5229 334 338 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0-235,-0.0 0.000 27.9-114.8 -75.0 162.5 5.2 16.8 14.4 5.8 17.0 15.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5937 -0.7532 0.2832 0.1427 -0.4449 -0.8841 0.7920 -0.4845 0.3716 335 339 A D S S+ 0 0 170 2,-0.0 -2,-0.0 -2,-0.0 0, 0.0 0.000 88.3 98.8 -80.8 -0.9 2.2 14.5 14.8 2.0 13.1 14.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8081 -0.0905 0.5820 -0.2715 0.9341 -0.2317 -0.5227 -0.3453 -0.7795 336 340 A E S S- 0 0 71 1,-0.1 2,-0.2 2,-0.1 -3,-0.0 0.000 77.1-115.3 -65.0 175.1 1.6 15.7 18.3 2.5 16.3 19.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6658 0.6518 0.3630 -0.7284 -0.6733 -0.1272 0.1615 -0.3491 0.9231 337 341 A S > - 0 0 64 1,-0.1 4,-2.2 0, 0.0 5,-0.3 0.000 28.3 -97.4-103.9 168.3 -1.1 18.4 18.9 -2.4 18.1 19.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1400 0.9658 0.2181 0.4063 0.2569 -0.8769 -0.9030 -0.0341 -0.4284 338 342 A V H > S+ 0 0 53 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.000 124.8 41.8 -51.6 -48.4 -0.6 22.0 20.2 -1.5 23.3 19.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1711 0.3830 0.9078 0.9410 -0.3365 -0.0353 0.2920 0.8602 -0.4180 339 343 A D H > S+ 0 0 95 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.000 110.6 57.8 -75.5 -26.3 -1.5 21.2 23.8 -2.9 21.1 24.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4254 -0.4770 0.7691 0.7925 0.6068 -0.0620 -0.4371 0.6358 0.6361 340 344 A A H > S+ 0 0 22 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.000 111.9 42.0 -62.6 -41.5 0.5 18.0 23.7 0.4 16.9 22.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9611 -0.2389 0.1385 -0.0980 0.1738 0.9799 -0.2581 -0.9554 0.1436 341 345 A I H >< S+ 0 0 0 -4,-2.2 3,-0.6 2,-0.2 4,-0.3 0.000 115.1 49.0 -68.2 -51.6 3.6 20.1 22.8 3.8 20.8 21.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5701 0.6762 0.4665 0.3794 -0.7204 0.5806 0.7287 -0.1540 -0.6673 342 346 A A H >< S+ 0 0 9 -4,-2.5 3,-1.8 -5,-0.3 7,-0.2 0.000 103.0 63.3 -58.8 -37.5 2.7 22.8 25.3 1.5 23.7 25.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0673 0.0673 0.9955 0.9977 -0.0013 -0.0674 -0.0033 0.9977 -0.0673 343 347 A R H 3< S+ 0 0 182 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.000 110.8 37.7 -51.2 -45.1 2.2 20.1 28.0 1.5 18.8 27.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6094 -0.4335 0.6639 0.0217 0.8461 0.5326 -0.7926 -0.3102 0.5250 344 348 A R T << S+ 0 0 81 -4,-1.0-242,-0.5 -3,-0.6 -1,-0.3 0.000 114.2 55.3-101.3 25.8 5.9 19.1 27.7 6.2 17.8 27.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9556 0.2900 -0.0530 -0.0803 0.4290 0.8997 0.2836 -0.8555 0.4332 345 349 A C <> + 0 0 0 -3,-1.8 4,-2.7 -4,-0.3 -1,-0.2 0.000 61.7 149.3-146.3 57.9 7.3 22.6 27.1 7.5 23.1 25.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0841 0.9532 0.2905 0.5022 -0.2924 0.8139 0.8607 0.0774 -0.5032 346 350 A P H > S+ 0 0 73 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 70.8 51.9 -64.6 -34.0 6.0 24.4 30.2 5.9 23.6 31.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0815 0.8835 0.4612 -0.5150 0.4335 -0.7395 -0.8533 -0.1773 0.4903 347 351 A N H > S+ 0 0 54 2,-0.2 4,-2.7 3,-0.1 3,-0.4 0.000 111.8 46.9 -71.8 -43.9 8.8 26.8 30.6 10.3 26.6 30.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2185 0.8813 -0.4191 -0.8198 0.3987 0.4110 0.5293 0.2538 0.8096 348 352 A T H > S+ 0 0 0 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.000 107.2 58.7 -57.8 -45.1 8.5 27.9 27.0 8.6 27.1 25.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6355 0.6054 -0.4792 0.3847 0.7864 0.4834 0.6695 0.1228 -0.7326 349 353 A D H X S+ 0 0 48 -4,-2.7 4,-0.5 1,-0.3 -1,-0.2 0.000 115.0 35.1 -54.1 -38.5 4.7 28.2 27.4 3.8 27.1 27.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6376 0.6789 0.3641 0.2115 0.6088 -0.7646 -0.7407 -0.4105 -0.5318 350 354 A A H X S+ 0 0 38 -4,-1.4 4,-1.8 -3,-0.4 -1,-0.3 0.000 116.0 51.8 -82.5 -41.6 5.2 30.8 30.2 5.7 30.3 31.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3274 0.9354 0.1336 -0.7626 0.3450 -0.5472 -0.5579 0.0773 0.8263 351 355 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 3,-0.3 0.000 102.5 63.9 -61.0 -40.4 8.3 32.6 28.8 9.7 31.8 28.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1719 0.6788 -0.7139 -0.4284 0.7041 0.5663 0.8871 0.2085 0.4118 352 356 A S H < S+ 0 0 0 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.000 118.0 26.5 -51.5 -34.0 6.4 33.0 25.5 5.8 31.8 24.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6816 0.6391 -0.3564 0.7113 0.6929 -0.1177 0.1717 -0.3337 -0.9269 353 357 A S H < S+ 0 0 26 -4,-0.5 -52,-0.3 -5,-0.3 -1,-0.3 0.000 126.1 47.3-100.8 -22.9 3.9 35.1 27.4 2.7 34.5 28.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1074 0.8221 0.5591 0.3242 0.5606 -0.7620 -0.9399 0.0995 -0.3268 354 358 A D H < S+ 0 0 4 -4,-1.8 -61,-1.2 -3,-0.3 2,-0.3 0.000 83.8 96.8 -88.8 -34.5 6.2 36.5 30.3 7.1 35.4 31.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6749 0.6488 0.3515 -0.7015 0.7119 0.0329 -0.2289 -0.2687 0.9356 355 359 A C E < -O 292 0G 0 -4,-2.0 -37,-1.9 -63,-0.2 2,-0.3 0.000 40.8-176.8 -85.9 132.9 9.4 37.7 28.8 10.3 36.6 28.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5266 0.7351 -0.4269 -0.1055 0.5548 0.8253 0.8435 -0.3896 0.3697 356 360 A V E -OP 291 317G 0 -65,-3.2 -65,-2.9 -2,-0.3 2,-0.3 0.000 8.4-166.9-116.8 148.4 10.5 41.3 27.9 10.1 42.5 28.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7349 0.5817 -0.3486 -0.1103 -0.4047 -0.9078 -0.6691 0.7056 -0.2333 357 361 A W E -OP 290 316G 36 -41,-2.1 -41,-1.9 -2,-0.3 2,-0.4 0.000 11.3-146.1-143.5 148.9 13.8 42.3 26.2 14.4 41.3 25.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6882 0.6461 -0.3299 0.1189 0.3482 0.9299 0.7157 -0.6792 0.1628 358 362 A L E -OP 289 315G 0 -69,-2.0 -69,-2.2 -2,-0.3 -43,-0.2 0.000 38.1 -94.2-111.2 147.5 15.7 45.5 25.6 16.2 46.4 26.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6252 0.4688 -0.6240 -0.6833 -0.0574 -0.7278 -0.3771 0.8814 0.2844 359 363 A H E > -O 288 0G 28 -45,-1.6 3,-2.4 -2,-0.4 4,-0.3 0.000 33.9-120.5 -55.4 134.9 17.8 46.2 22.6 17.7 47.5 21.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9880 0.0220 -0.1530 0.0230 -0.9997 0.0043 -0.1528 -0.0077 -0.9882 360 364 A H G > S+ 0 0 1 -73,-0.9 3,-1.1 1,-0.3 4,-0.2 0.000 107.8 77.0 -55.2 -19.9 21.5 45.4 23.3 22.4 44.4 22.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8257 0.5319 0.1879 -0.3641 0.2481 0.8977 0.4309 -0.8096 0.3986 361 365 A R G > S+ 0 0 63 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.000 83.2 65.0 -59.7 -30.5 22.3 49.1 22.5 21.7 50.0 21.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1562 0.8148 0.5583 0.8698 -0.3814 0.3132 0.4681 0.4367 -0.7682 362 366 A V G X S+ 0 0 0 -3,-2.4 3,-1.4 1,-0.2 -1,-0.3 0.000 93.6 61.2 -59.1 -35.5 20.9 49.9 25.9 19.7 49.3 26.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4156 0.0226 0.9093 0.4614 0.8563 -0.2322 -0.7838 0.5160 0.3455 363 367 A L G < S+ 0 0 0 -3,-1.1-105,-0.3 -4,-0.3 -1,-0.2 0.000 98.1 57.0 -75.2 0.3 23.9 47.9 27.4 24.0 46.4 27.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9862 0.0909 0.1383 -0.1584 0.7613 0.6288 -0.0481 -0.6421 0.7651 364 368 A L G < S+ 0 0 28 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.2 0.000 89.8 98.4 -98.4 -9.2 26.4 50.3 25.7 26.5 50.6 24.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3985 0.9038 0.1561 0.4686 -0.3469 0.8125 0.7885 -0.2506 -0.5617 365 369 A A S < S- 0 0 4 -3,-1.4 2,-0.1 1,-0.1-360,-0.1 0.000 85.1 -90.1 -76.2 167.5 24.9 53.3 27.5 23.4 53.6 27.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2211 0.5746 0.7880 0.8390 0.2998 -0.4540 -0.4971 0.7616 -0.4158 366 370 A G >> - 0 0 27 1,-0.1 3,-1.5 -2,-0.0 4,-1.3 0.000 38.9-103.1 -70.3 161.0 26.3 54.8 30.7 26.6 56.3 30.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1139 -0.1306 0.9849 0.4102 -0.9090 -0.0731 0.9048 0.3957 0.1571 367 371 A E H 3> S+ 0 0 73 1,-0.3 4,-2.9 2,-0.2 3,-0.4 0.000 117.5 61.3 -48.1 -45.7 25.3 53.6 34.2 26.3 53.6 35.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7571 0.1556 0.6345 -0.5828 -0.5998 -0.5482 0.2953 -0.7849 0.5448 368 372 A P H 3> S+ 0 0 88 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.000 104.1 48.2 -57.4 -35.9 23.0 56.6 34.8 23.5 58.0 34.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9508 0.2266 -0.2113 -0.3095 -0.6633 0.6814 0.0142 0.7132 0.7008 369 373 A E H <> S+ 0 0 60 -3,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.000 108.7 54.9 -74.6 -29.8 20.8 55.7 31.9 21.1 55.7 30.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6915 -0.7040 -0.1619 -0.5784 0.4053 0.7079 -0.4328 0.5832 -0.6874 370 374 A L H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.4 -1,-0.2 0.000 109.6 47.6 -64.0 -35.8 20.8 52.1 33.3 21.9 51.2 33.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5597 -0.4433 0.7002 -0.8127 0.1285 -0.5683 0.1619 -0.8871 -0.4322 371 375 A H H X S+ 0 0 86 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.000 113.7 45.9 -69.3 -47.3 19.5 53.6 36.5 20.1 54.7 37.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8603 0.3733 0.3471 -0.4036 -0.9148 -0.0165 0.3113 -0.1543 0.9377 372 376 A A H X S+ 0 0 28 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.000 111.6 54.2 -62.9 -34.5 16.9 55.7 34.7 17.1 56.9 33.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8663 -0.1945 -0.4601 -0.4181 -0.2218 0.8809 -0.2734 0.9555 0.1108 373 377 A T H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.000 107.7 48.5 -66.8 -47.4 15.9 52.7 32.7 16.9 51.8 31.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5806 -0.8058 0.1168 -0.8135 0.5802 -0.0409 -0.0348 -0.1187 -0.9923 374 378 A A H X S+ 0 0 9 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.000 109.9 51.6 -68.1 -29.1 15.3 50.5 35.8 16.4 49.8 36.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6721 -0.0454 0.7391 -0.7154 -0.2179 -0.6639 0.1912 -0.9749 0.1139 375 379 A E H X S+ 0 0 123 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.000 108.9 51.1 -67.9 -44.0 13.2 53.2 37.4 13.5 54.7 37.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9507 0.2896 -0.1107 -0.3084 -0.8469 0.4331 0.0317 0.4459 0.8945 376 380 A I H X S+ 0 0 38 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.000 114.7 44.6 -56.5 -41.3 11.0 53.5 34.3 11.5 53.8 32.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7382 -0.5536 -0.3855 -0.6122 0.3098 0.7275 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