HEADER HYDROLASE (SERINE ESTERASE) 07-OCT-94 1ESC . COMPND 2 MOLECULE: ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SCABIEI; . AUTHOR Y.WEI,J.L.SCHOTTEL,U.DEREWENDA,L.SWENSON,S.PATKAR, . 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 . 302 # 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 4 A D 0 0 182 0, 0.0 51,-0.6 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 120.7 58.5 34.3 6.7 58.8 33.4 7.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3356 -0.7343 -0.5901 0.4278 0.6769 -0.5990 0.8393 -0.0514 0.5412 2 5 A P E -a 52 0A 65 0, 0.0 51,-0.3 0, 0.0 49,-0.0 0.000 360.0-151.7 -66.5 146.1 58.9 32.8 3.3 60.0 33.3 2.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0021 -0.9398 -0.3417 -0.9862 -0.0546 0.1561 -0.1653 0.3374 -0.9267 3 6 A V E -a 53 0A 17 49,-1.2 51,-2.8 -2,-0.1 2,-0.2 0.000 20.7-132.6-120.7 99.2 58.5 28.9 3.4 57.2 28.2 3.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2113 -0.8422 -0.4961 0.9682 0.1108 0.2243 -0.1339 -0.5277 0.8388 4 7 A P E -a 54 0A 12 0, 0.0 90,-1.9 0, 0.0 91,-1.2 0.000 35.6-173.9 -57.5 122.9 60.7 27.7 0.5 62.2 27.6 0.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1081 -0.7034 -0.7025 -0.7154 0.5457 -0.4362 0.6902 0.4555 -0.5622 5 8 A T E -ab 55 95A 0 49,-2.9 51,-2.7 -2,-0.2 52,-0.8 0.000 24.6-160.9-129.4 145.1 58.5 25.2 -1.4 56.9 25.6 -1.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2239 -0.6816 -0.6966 0.7096 -0.6040 0.3628 -0.6680 -0.4131 0.6189 6 9 A V E -ab 57 96A 1 89,-2.8 91,-1.8 -2,-0.3 2,-0.4 0.000 9.5-160.0-121.4 133.9 58.8 22.8 -4.4 60.0 21.9 -4.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4816 -0.5588 -0.6751 -0.4388 0.8206 -0.3663 0.7586 0.1198 -0.6404 7 10 A F E +ab 58 97A 2 50,-1.9 52,-2.4 -2,-0.4 2,-0.3 0.000 21.9 164.9-109.2 139.7 55.6 21.5 -6.2 54.5 22.4 -6.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3136 -0.7077 -0.6331 0.2086 -0.7018 0.6812 -0.9264 0.0815 0.3677 8 11 A F + 0 0 3 89,-1.9 91,-0.4 -2,-0.4 52,-0.3 0.000 13.1 89.6-147.0 172.3 56.1 18.3 -8.2 57.2 17.5 -7.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3117 -0.7851 -0.5353 -0.2223 0.6080 -0.7622 0.9238 -0.1185 -0.3640 9 12 A G - 0 0 0 50,-0.4 52,-1.8 -2,-0.3 91,-0.2 0.000 57.2 -64.4 137.1-171.4 53.9 15.7 -9.8 52.7 16.4 -9.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5575 -0.4341 -0.7077 0.5979 -0.8013 0.0205 -0.5760 -0.4117 0.7062 10 13 A D S >> S- 0 0 1 89,-1.4 3,-2.3 -2,-0.3 4,-2.1 0.000 75.9 -54.1-105.3-163.6 51.9 14.4 -12.8 51.5 12.9 -12.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7029 0.1762 -0.6891 0.6286 0.6072 -0.4860 0.3328 -0.7747 -0.5376 11 14 A S H 3>>S+ 0 0 9 1,-0.3 5,-1.6 2,-0.2 4,-1.3 0.000 128.8 63.8 -60.3 -19.5 48.8 15.7 -14.7 48.2 14.9 -15.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8371 0.5158 0.1821 0.5453 0.8129 0.2045 -0.0426 0.2705 -0.9618 12 15 A Y H 345S+ 0 0 27 2,-0.2 -1,-0.3 3,-0.2 26,-0.2 0.000 113.2 33.8 -83.4 -5.3 46.7 15.9 -11.5 46.2 14.7 -10.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1671 0.6447 0.7460 -0.3011 0.6871 -0.6612 -0.9388 -0.3352 0.0793 13 16 A T H <45S+ 0 0 0 -3,-2.3 -2,-0.2 86,-0.2 -1,-0.2 0.000 118.5 50.1-111.2 -33.3 49.1 18.7 -10.2 50.4 18.3 -9.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3456 0.9301 -0.1243 -0.9262 0.3594 0.1137 0.1504 0.0758 0.9857 14 17 A A H <5S- 0 0 0 -4,-2.1 20,-2.7 23,-0.1 -2,-0.2 0.000 106.5-135.9 -75.1 -26.3 49.9 20.2 -13.5 50.8 19.6 -14.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4705 0.5934 -0.6530 0.0315 0.7509 0.6597 0.8818 0.2898 -0.3720 15 18 A N T ><5 - 0 0 0 -4,-1.3 3,-2.5 -5,-0.3 -3,-0.2 0.000 16.7-148.5 64.6 60.3 46.1 20.3 -14.0 45.5 21.6 -13.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6593 0.1633 -0.7339 -0.1491 -0.9851 -0.0853 -0.7369 0.0531 0.6739 16 19 A F T 3 -E 34 0B 12 13,-0.3 3,-0.6 14,-0.1 13,-0.3 0.000 13.9-117.1 -85.4 151.4 49.4 26.8 -19.9 49.5 25.9 -21.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9583 0.0134 0.2853 -0.2856 0.0626 0.9563 -0.0051 -0.9980 0.0638 22 25 A T T 3 S+ 0 0 28 11,-3.3 11,-0.3 1,-0.2 9,-0.2 0.000 99.0 18.1 -85.3 155.6 52.7 28.0 -18.4 53.4 27.8 -17.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9377 0.1060 -0.3307 -0.3021 0.7190 -0.6260 0.1714 0.6869 0.7062 23 26 A N T > S+ 0 0 84 -2,-0.2 3,-2.2 1,-0.1 6,-0.3 0.000 76.1 170.7 51.0 36.4 55.7 28.0 -20.9 56.6 26.9 -20.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1563 -0.2902 -0.9441 -0.0085 0.9554 -0.2951 0.9877 0.0542 0.1469 24 27 A Q T < S+ 0 0 136 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.000 75.3 38.2 -38.8 -45.0 53.3 27.9 -23.9 52.4 29.0 -24.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0514 -0.2426 -0.9688 0.0011 -0.9700 0.2430 -0.9987 -0.0135 -0.0496 25 28 A D T 3 S+ 0 0 168 3,-0.1 -1,-0.3 4,-0.0 2,-0.3 0.000 108.7 64.9-104.3 22.2 56.1 28.5 -26.3 56.1 30.0 -26.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9367 -0.1561 -0.3134 -0.2835 -0.8635 -0.4171 -0.2055 0.4795 -0.8531 26 29 A S S X S- 0 0 60 -3,-2.2 3,-1.7 1,-0.0 4,-0.2 0.000 99.9 -77.5-137.2-177.2 59.0 26.5 -24.8 59.7 27.1 -23.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4877 -0.8528 0.1869 0.1268 -0.1426 -0.9816 0.8638 0.5024 0.0386 27 30 A E G > S+ 0 0 90 1,-0.3 3,-1.4 -2,-0.3 53,-0.1 0.000 123.2 59.1 -51.5 -46.4 59.9 22.9 -24.2 61.3 22.3 -23.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4454 -0.7796 0.4403 -0.6513 -0.0553 -0.7568 0.6144 -0.6238 -0.4831 28 31 A R G > >S+ 0 0 61 1,-0.3 3,-1.4 2,-0.1 5,-0.5 0.000 75.7 92.3 -71.2 8.9 57.7 22.6 -21.1 58.1 23.3 -19.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9541 -0.0370 0.2973 -0.1007 -0.8950 -0.4345 0.2822 -0.4445 0.8502 29 32 A G G X 5S+ 0 0 7 -3,-1.7 3,-1.5 1,-0.3 -1,-0.3 0.000 79.5 63.7 -68.7 -31.6 54.6 23.5 -23.0 54.6 24.1 -24.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8673 -0.4612 -0.1874 -0.2732 0.1264 0.9536 -0.4161 0.8783 -0.2356 30 33 A W G < 5S+ 0 0 78 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.000 86.5 71.0 -73.1 0.9 54.2 19.7 -23.4 55.2 18.9 -24.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2700 -0.8060 0.5267 -0.9474 0.3201 0.0042 -0.1720 -0.4978 -0.8500 31 34 A a G < 5S- 0 0 1 -3,-1.4 31,-2.8 -9,-0.2 -1,-0.3 0.000 93.0-145.6 -86.6 -21.8 53.8 19.5 -19.6 54.7 20.2 -18.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7298 -0.0719 0.6798 -0.2343 -0.9080 -0.3475 0.6422 -0.4129 0.6458 32 35 A F T < 5 + 0 0 22 -3,-1.5 2,-0.8 -4,-0.2 -14,-0.3 0.000 33.2 170.7 54.2 41.5 50.4 21.1 -20.0 49.4 20.0 -20.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6906 0.3723 0.6201 0.3160 0.9265 -0.2043 -0.6505 0.0549 -0.7575 33 36 A Q < - 0 0 19 -5,-0.5 -11,-3.3 -11,-0.3 -1,-0.2 0.000 28.1-134.6 -85.1 110.2 51.0 22.8 -16.6 52.3 23.0 -16.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3403 0.7723 0.5365 -0.8779 -0.4654 0.1131 0.3370 -0.4325 0.8363 34 37 A A B > -E 21 0B 0 -20,-2.7 3,-0.9 -2,-0.8 -13,-0.3 0.000 8.5-132.3 -67.5 149.7 48.2 25.3 -16.1 46.8 25.1 -15.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0457 0.9191 0.3915 0.5529 0.3496 -0.7564 -0.8320 0.1819 -0.5241 35 38 A K T 3 S+ 0 0 110 -15,-2.6 2,-0.3 1,-0.3 -1,-0.1 0.000 111.1 44.0 -64.7 -38.6 49.1 28.8 -14.9 48.7 29.9 -15.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1211 0.5234 0.8434 0.7716 -0.4849 0.4117 0.6245 0.7006 -0.3452 36 39 A E T 3 S+ 0 0 77 -16,-0.5 -1,-0.3 4,-0.1 2,-0.1 0.000 81.8 146.8-108.6 57.4 46.3 28.3 -12.4 45.0 29.0 -12.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4385 -0.6024 0.6670 0.8363 -0.0017 0.5483 -0.3292 0.7982 0.5045 37 40 A N X> - 0 0 3 -3,-0.9 4,-1.9 -2,-0.3 3,-0.8 0.000 69.8 -88.5 -81.5 174.1 46.9 24.7 -11.2 48.1 23.8 -11.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1829 -0.5386 0.8225 -0.9831 0.0977 -0.1546 0.0029 -0.8369 -0.5474 38 41 A Y H 3> S+ 0 0 0 1,-0.3 4,-3.7 2,-0.2 5,-0.2 0.000 129.2 57.5 -54.3 -45.9 46.1 23.8 -7.6 45.5 22.4 -7.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3541 0.2722 0.8947 -0.3448 0.9273 -0.1456 -0.8693 -0.2570 0.4222 39 42 A P H 3> S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.000 107.8 47.2 -49.6 -47.0 49.6 24.8 -6.4 50.8 24.2 -7.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4051 0.8880 0.2177 -0.5042 0.0184 0.8634 0.7627 -0.4595 0.4552 40 43 A A H <> S+ 0 0 24 -3,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.000 117.2 41.9 -57.9 -54.8 49.0 28.4 -7.9 48.8 28.7 -9.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4871 0.8200 0.3006 0.6699 0.1300 0.7310 0.5603 0.5575 -0.6126 41 44 A V H X S+ 0 0 21 -4,-1.9 4,-2.1 1,-0.2 5,-0.2 0.000 111.9 54.7 -63.3 -42.4 45.6 28.7 -6.2 44.4 28.0 -6.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3835 0.0470 0.9223 0.3969 0.9102 0.1187 -0.8339 0.4116 -0.3677 42 45 A A H X S+ 0 0 0 -4,-3.7 4,-2.6 -5,-0.3 5,-0.2 0.000 106.3 52.0 -63.1 -45.3 46.8 27.1 -3.0 47.3 25.7 -2.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4876 0.3519 0.7990 -0.7683 0.6076 0.2012 -0.4147 -0.7120 0.5666 43 46 A T H X S+ 0 0 35 -4,-2.3 4,-2.6 -5,-0.2 10,-0.2 0.000 110.6 49.0 -53.4 -48.7 49.6 29.7 -2.6 50.8 29.8 -3.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0605 0.9489 0.3096 -0.1815 -0.2946 0.9382 0.9815 -0.1130 0.1544 44 47 A R H X S+ 0 0 123 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.000 113.1 45.2 -49.3 -69.1 47.1 32.6 -3.1 46.1 32.7 -4.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6892 0.4458 0.5712 0.7196 0.5133 0.4676 -0.0847 0.7333 -0.6746 45 48 A S H < S+ 0 0 46 -4,-2.1 -1,-0.2 1,-0.3 4,-0.2 0.000 114.8 48.4 -44.2 -51.1 44.6 31.3 -0.5 44.0 30.0 -0.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0020 -0.0736 0.9973 -0.1907 0.9790 0.0718 -0.9817 -0.1900 -0.0160 46 49 A L H ><>S+ 0 0 1 -4,-2.6 5,-2.6 -5,-0.2 3,-2.0 0.000 105.5 59.4 -62.5 -42.2 47.4 30.6 1.9 48.5 29.5 1.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5730 0.5627 0.5959 -0.8034 0.2418 0.5442 0.1621 -0.7905 0.5906 47 50 A A H ><5S+ 0 0 51 -4,-2.6 3,-2.5 1,-0.3 -2,-0.2 0.000 105.0 48.3 -53.7 -51.7 48.9 34.1 1.3 49.2 34.7 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1803 0.8969 0.4037 0.4029 -0.3071 0.8622 0.8973 0.3181 -0.3060 48 51 A D T 3<5S+ 0 0 137 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.000 108.7 53.0 -74.3 8.9 45.7 35.8 2.5 44.5 36.3 1.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5575 0.0917 0.8251 0.7902 0.3634 0.4935 -0.2546 0.9271 -0.2751 49 52 A K T < 5S- 0 0 125 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.000 128.2-104.6-114.7 8.6 45.5 33.6 5.6 45.3 32.1 5.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4549 -0.1494 0.8779 -0.3134 0.8959 0.3148 -0.8336 -0.4184 0.3608 50 53 A G T < 5S+ 0 0 62 -3,-2.5 2,-0.6 1,-0.2 -3,-0.2 0.000 79.9 131.1 77.1 12.7 49.1 34.8 6.2 49.0 35.2 7.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9538 -0.2679 0.1363 0.2278 0.3484 -0.9093 0.1961 0.8982 0.3933 51 54 A I < - 0 0 21 -5,-2.6 2,-0.7 -6,-0.1 -2,-0.2 0.000 41.9-158.6 -94.4 118.9 51.2 31.7 5.1 50.6 30.3 5.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7187 -0.2545 -0.6471 0.6458 0.5894 0.4854 0.2578 -0.7667 0.5879 52 55 A T E -a 2 0A 72 -2,-0.6 -49,-1.2 -51,-0.6 2,-0.4 0.000 6.8-169.2-111.8 102.2 53.9 32.9 2.7 54.6 34.3 2.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7187 -0.2296 -0.6563 -0.6757 -0.4536 -0.5812 -0.1642 0.8611 -0.4811 53 56 A L E -a 3 0A 15 -2,-0.7 2,-1.0 -51,-0.3 -6,-0.0 0.000 14.0-150.6 -84.8 128.7 55.2 30.2 0.5 54.2 29.2 -0.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7161 -0.1590 -0.6796 0.6941 0.0601 0.7174 -0.0732 -0.9854 0.1534 54 57 A D E -a 4 0A 77 -51,-2.8 -49,-2.9 -2,-0.4 2,-0.7 0.000 21.9-147.0-102.3 101.5 58.3 31.1 -1.4 59.5 31.8 -0.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4395 -0.2525 -0.8620 -0.8312 0.2494 -0.4969 0.3404 0.9349 -0.1002 55 58 A V E +a 5 0A 60 -2,-1.0 -49,-0.2 -51,-0.2 3,-0.1 0.000 22.4 178.9 -74.3 113.5 57.7 28.9 -4.4 56.5 28.9 -5.3 0 0.0 0 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133 A D S > S- 0 0 47 1,-0.1 3,-1.2 2,-0.1 -1,-0.3 0.000 77.3-173.2 -94.5 88.3 46.1 -6.3 -23.5 45.2 -7.6 -23.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3166 -0.1763 -0.9320 0.8805 0.3108 -0.3579 0.3528 -0.9340 0.0569 131 134 A G T 3 S+ 0 0 45 -2,-1.1 -1,-0.1 -3,-0.4 4,-0.1 0.000 81.3 49.0 -58.1 -3.2 45.5 -4.6 -26.8 46.6 -4.0 -27.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5418 -0.1182 -0.8322 -0.8340 0.1988 0.5148 0.1046 0.9729 -0.2062 132 135 A D T 3 S+ 0 0 157 2,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.000 90.7 88.6-104.6 -29.1 43.8 -7.7 -28.5 44.6 -9.0 -28.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8394 -0.5415 -0.0470 -0.4755 0.7735 -0.4190 0.2632 -0.3293 -0.9068 133 136 A E S < S- 0 0 62 -3,-1.2 2,-0.5 1,-0.1 3,-0.0 0.000 93.4-102.9 -65.7 154.9 41.4 -8.2 -25.6 42.0 -8.5 -24.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9050 0.3864 0.1780 -0.3707 -0.5110 -0.7756 -0.2087 -0.7678 0.6057 134 137 A P >> - 0 0 54 0, 0.0 3,-3.0 0, 0.0 4,-0.8 0.000 9.1-126.8-100.4 138.5 38.4 -6.1 -26.4 37.3 -7.0 -27.1 0 0.0 0 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-5,-0.1 0.000 86.9 116.2-107.0 3.0 64.3 19.6 6.4 65.1 20.9 6.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8939 0.4114 0.1781 -0.2987 -0.8429 0.4475 0.3343 0.3468 0.8763 176 179 A A < - 0 0 12 -3,-1.8 2,-0.4 -7,-0.2 -81,-0.3 0.000 63.0-134.4 -76.1 134.7 61.3 19.4 4.1 61.5 19.0 2.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9627 -0.2690 -0.0297 -0.2293 0.7528 0.6170 -0.1436 0.6008 -0.7864 177 180 A K E -c 95 0A 106 -83,-2.8 -81,-2.4 -2,-0.3 2,-0.5 0.000 30.2-137.7 -82.2 131.4 57.8 18.5 5.3 56.7 19.3 5.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7224 -0.5640 -0.4000 0.5690 -0.8136 0.1195 -0.3928 -0.1413 0.9087 178 181 A R E -c 96 0A 38 -2,-0.4 60,-3.3 58,-0.4 2,-0.5 0.000 21.4-174.7-102.3 126.2 56.5 16.0 2.6 57.3 14.7 2.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8047 -0.3685 -0.4656 -0.1647 0.8919 -0.4212 0.5704 -0.2623 -0.7783 179 182 A V E -cd 97 238A 3 -83,-2.8 -81,-1.6 -2,-0.5 2,-0.5 0.000 6.3-165.3-121.6 111.6 53.0 16.2 1.3 52.2 17.5 1.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6903 -0.3301 -0.6439 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25.8 0.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0735 0.3600 0.9301 0.9165 -0.3434 0.2053 0.3932 0.8675 -0.3047 295 298 A D H >X S+ 0 0 55 -4,-3.1 4,-1.9 -5,-0.3 3,-0.9 0.000 111.2 43.8 -49.1 -67.4 44.0 23.2 4.3 42.7 22.4 4.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3104 -0.4509 0.8368 0.3558 0.8714 0.3376 -0.8815 0.1929 0.4310 296 299 A K H 3X S+ 0 0 41 -4,-2.0 4,-2.3 1,-0.3 -2,-0.2 0.000 111.4 52.4 -48.2 -44.2 46.6 20.5 5.0 46.8 19.3 4.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9575 -0.0761 0.2781 -0.2574 0.2095 0.9433 -0.1301 -0.9748 0.1810 297 300 A I H 3X S+ 0 0 0 -4,-2.7 4,-1.3 2,-0.2 -1,-0.3 0.000 109.4 50.8 -63.2 -39.8 49.7 22.8 4.6 50.0 23.8 3.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4756 0.6570 0.5849 0.3386 -0.7504 0.5677 0.8119 -0.0719 -0.5793 298 301 A E H << S+ 0 0 42 -4,-2.0 3,-0.3 -3,-0.9 4,-0.3 0.000 111.1 48.5 -60.4 -49.9 48.1 25.2 7.1 46.7 25.8 7.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0674 0.0571 0.9961 0.9670 0.2495 0.0512 -0.2456 0.9667 -0.0720 299 302 A E H >< S+ 0 0 114 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.000 112.4 47.2 -55.4 -51.4 47.6 22.4 9.5 46.8 21.1 9.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5639 -0.5296 0.6337 0.0514 0.7883 0.6131 -0.8242 -0.3132 0.4718 300 303 A I H 3< S+ 0 0 25 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.000 107.2 57.2 -65.3 -27.9 51.2 21.1 9.2 51.7 20.5 7.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9386 0.2660 0.2199 -0.1697 -0.1989 0.9652 0.3005 -0.9432 -0.1416 301 304 A L T 3< 0 0 54 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.000 360.0 360.0 -89.6 6.5 52.7 24.6 9.5 52.7 25.6 8.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2359 0.7062 0.6676 0.6077 -0.6433 0.4657 0.7583 0.2958 -0.5809 302 305 A N < 0 0 151 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.000 360.0 360.0-130.0 360.0 51.0 25.0 12.9 49.6 25.5 12.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1915 -0.2941 0.9364 0.9182 0.2833 0.2768 -0.3467 0.9128 0.2158 printout DONE