HEADER OXIDOREDUCTASE 01-AUG-07 2QT6 . COMPND 2 MOLECULE: LACCASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LENTINUS TIGRINUS; . AUTHOR M.FERRARONI,F.BRIGANTI,A.SCOZZAFAVA . 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 . 996 # 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 1 A A 0 0 69 0, 0.0 2,-0.3 0, 0.0 35,-0.2 0.000 360.0 360.0 360.0 155.6 7.7 -4.3 59.8 9.1 -4.2 59.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0415 -0.9016 -0.4305 -0.8274 0.2105 -0.5206 0.5600 0.3778 -0.7373 2 2 A V B +a 36 0A 40 33,-2.3 35,-2.5 4,-0.0 4,-0.1 0.000 360.0 23.7-128.7 163.1 6.8 -7.8 58.7 5.4 -8.0 58.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3077 -0.8890 -0.3390 0.5348 -0.1331 0.8344 -0.7870 -0.4381 0.4345 3 3 A G + 0 0 27 2,-0.6 35,-0.1 -2,-0.3 41,-0.1 0.000 29.3 145.8 107.4 167.4 8.9 -10.6 57.3 9.5 -9.8 56.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8523 -0.5219 0.0346 -0.5165 -0.8293 0.2134 -0.0827 -0.1998 -0.9763 4 4 A P S S+ 0 0 39 0, 0.0 41,-2.6 0, 0.0 2,-0.6 0.000 122.8 25.9 -72.1 -15.2 10.8 -12.6 56.3 12.1 -13.3 56.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4703 -0.6106 -0.6372 -0.5626 0.7637 -0.3167 0.6799 0.2096 -0.7027 5 5 A V E S+e 45 0B 96 39,-0.2 -2,-0.6 41,-0.1 2,-0.3 0.000 90.7 131.9-110.4 118.8 7.8 -15.0 56.9 8.0 -16.3 57.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9952 -0.0483 0.0857 -0.0970 0.3389 -0.9358 0.0162 -0.9396 -0.3420 6 6 A A E -e 46 0B 16 39,-2.3 41,-2.8 -2,-0.6 2,-0.5 0.000 54.7-118.4-162.7 151.9 4.5 -13.2 56.6 4.9 -11.7 56.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9286 0.2464 -0.2774 -0.3659 -0.7321 0.5747 -0.0614 0.6351 0.7700 7 7 A D E -e 47 0B 94 -2,-0.3 2,-0.6 39,-0.2 41,-0.2 0.000 24.4-161.6 -87.5 133.4 1.0 -13.0 55.2 -0.3 -13.5 55.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5293 0.6695 -0.5211 0.5867 -0.1548 -0.7949 -0.6129 -0.7265 -0.3108 8 8 A L E -e 48 0B 1 39,-2.9 41,-2.6 -2,-0.5 2,-0.6 0.000 9.4-160.9-115.9 108.9 0.4 -10.0 53.1 1.4 -9.6 51.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7094 0.5489 -0.4422 -0.3618 0.2548 0.8968 0.6049 0.7961 0.0178 9 9 A T E -e 49 0B 35 -2,-0.6 19,-2.6 39,-0.2 2,-0.5 0.000 1.8-155.6-101.1 123.2 -3.4 -9.5 52.8 -4.2 -9.7 54.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7433 0.4790 -0.4670 0.2763 -0.4160 -0.8664 -0.6092 -0.7730 0.1769 10 10 A V E +eF 50 27B 0 39,-2.8 41,-2.7 -2,-0.6 2,-0.3 0.000 25.2 153.6-104.6 122.8 -4.5 -7.3 49.9 -4.0 -7.6 48.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7388 0.5456 -0.3956 0.0644 0.6415 0.7645 0.6708 0.5393 -0.5090 11 11 A T E - F 0 26B 23 15,-2.4 15,-2.7 -2,-0.5 2,-0.4 0.000 42.5-106.9-134.1 172.2 -7.9 -5.5 50.2 -8.4 -5.4 51.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6688 0.6832 -0.2932 -0.0987 -0.4724 -0.8758 -0.7369 -0.5568 0.3834 12 12 A N E + F 0 25B 34 39,-0.4 2,-0.3 -2,-0.3 13,-0.2 0.000 43.9 161.9 -98.1 144.8 -9.7 -2.5 48.9 -10.8 -2.4 47.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3245 0.8790 0.3494 0.9420 0.2670 0.2032 0.0853 0.3951 -0.9147 13 13 A A E - F 0 24B 34 11,-1.9 11,-2.2 -2,-0.4 2,-0.5 0.000 41.7-110.7-154.8 155.9 -10.2 0.5 51.3 -9.3 0.3 52.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1896 0.9462 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13.8 51.3 -3.0 14.1 49.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4169 0.9063 0.0701 0.3232 0.0757 0.9433 0.8496 0.4159 -0.3245 19 19 A G S < S+ 0 0 50 -3,-1.8 2,-0.4 1,-0.3 -3,-0.1 0.000 101.4 104.3 88.2 -3.8 -6.7 14.7 53.0 -6.4 16.1 53.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9561 0.2382 -0.1706 -0.2917 -0.8291 0.4770 -0.0278 0.5058 0.8622 20 20 A F - 0 0 84 160,-0.1 -2,-0.5 2,-0.0 2,-0.4 0.000 69.3-130.6-109.2 132.7 -8.8 13.7 50.0 -8.5 14.1 48.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5750 -0.7281 -0.3733 -0.6470 0.1254 0.7521 -0.5008 0.6740 -0.5432 21 21 A E + 0 0 125 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 0.000 36.8 154.4 -89.1 131.3 -10.7 10.3 50.2 -12.0 10.1 51.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2062 -0.8367 -0.5074 0.9774 -0.2002 -0.0671 -0.0455 -0.5098 0.8591 22 22 A R E -F 15 0B 20 -7,-2.5 -7,-2.6 -2,-0.4 2,-0.2 0.000 46.0 -99.4-146.2 155.8 -10.5 7.8 47.5 -9.6 8.2 46.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0493 -0.9261 -0.3741 -0.9569 -0.0635 0.2834 -0.2862 0.3719 -0.8830 23 23 A 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0.0 0 0.0 0 0.0 0.2951 -0.5043 0.8115 -0.9133 -0.3984 0.0845 0.2807 -0.7661 -0.5781 28 28 A N T 3 S- 0 0 49 -19,-2.6 -1,-0.2 -2,-0.4 -18,-0.1 0.000 131.3 -62.1 49.2 39.1 -2.4 -5.3 55.8 -1.0 -5.6 56.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2818 0.5460 0.7890 -0.9261 -0.3699 -0.0748 0.2510 -0.7517 0.6099 29 29 A N T 3 S+ 0 0 131 -20,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.000 114.1 102.7 71.8 10.9 -4.8 -2.3 55.8 -5.3 -2.5 57.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0360 0.9939 0.1044 -0.2907 0.0895 -0.9526 -0.9561 -0.0646 0.2857 30 30 A V B < -G 27 0B 65 -3,-2.0 -3,-2.0 -15,-0.0 -1,-0.2 0.000 62.5-123.3-130.7 155.2 -2.2 0.3 55.0 -1.0 0.4 56.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4771 0.6431 -0.5990 -0.8696 0.4442 -0.2158 0.1273 0.6238 0.7711 31 31 A F S S+ 0 0 27 -2,-0.3 2,-0.2 -5,-0.2 91,-0.1 0.000 98.4 37.8-131.4 130.9 -0.8 2.5 52.2 -1.8 3.3 51.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7003 0.6551 -0.2838 0.6969 -0.7135 0.0727 -0.1548 -0.2487 -0.9561 32 32 A P S S- 0 0 19 0, 0.0 90,-0.3 0, 0.0 3,-0.1 0.000 113.7-103.3 -59.0 165.3 2.0 2.5 51.4 3.5 2.9 51.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2125 -0.9754 -0.0592 -0.8661 -0.1599 -0.4737 0.4525 0.1520 -0.8787 33 33 A A - 0 0 3 88,-2.6 -2,-0.1 86,-0.3 -5,-0.1 0.000 51.7 -81.9 -57.4 154.5 2.2 -1.3 51.9 2.5 -2.3 50.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4499 -0.5710 0.6867 -0.6842 0.2738 0.6759 -0.5739 -0.7740 -0.2675 34 34 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.000 49.3 -96.3 -65.2 151.9 4.0 -2.2 55.1 3.5 -3.4 56.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9435 -0.1237 0.3075 0.1647 0.9801 -0.1108 -0.2877 0.1552 0.9451 35 35 A L - 0 0 6 -3,-0.1 -33,-2.3 87,-0.1 2,-0.4 0.000 36.6-153.4 -64.1 125.6 7.8 -2.4 55.3 8.6 -1.5 56.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6748 -0.7374 0.0288 -0.1779 -0.2004 -0.9634 0.7162 0.6450 -0.2664 36 36 A I E +ab 2 124A 0 87,-1.8 89,-2.6 -2,-0.3 2,-0.3 0.000 19.6 179.9 -98.9 137.3 9.1 -5.9 54.7 8.8 -6.7 53.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8129 -0.5480 0.1972 -0.1826 0.0817 0.9798 -0.5530 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0, 0.0 -90,-0.0 0.000 101.5 38.2 -60.1 -17.2 32.2 52.8 20.5 32.4 52.7 22.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8032 -0.5954 -0.0207 0.3048 -0.3808 -0.8730 0.5119 -0.7075 0.4873 628 130 B N T 3 S+ 0 0 137 -3,-0.0 4,-0.0 4,-0.0 -3,-0.0 0.000 83.1 170.6-120.3 35.2 28.7 53.6 19.4 27.8 54.3 20.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6325 0.2348 -0.7381 0.1864 -0.8788 -0.4393 -0.7518 -0.4154 0.5120 629 131 B D X - 0 0 15 -3,-2.1 3,-2.1 1,-0.2 4,-0.2 0.000 31.9-143.8 -51.4 121.6 29.5 54.7 15.8 30.7 54.2 15.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5447 0.1210 -0.8298 -0.4209 0.8164 0.3953 0.7254 0.5646 -0.3938 630 132 B P T 3 S+ 0 0 74 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.000 101.0 52.7 -64.2 -14.8 26.1 55.1 14.0 25.5 56.5 13.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4317 -0.3889 -0.8138 -0.0638 -0.8868 0.4576 -0.8997 0.2495 0.3581 631 133 B H T > S+ 0 0 6 1,-0.2 3,-2.3 2,-0.1 4,-0.2 0.000 75.6 104.8 -95.4 1.7 27.8 53.8 10.9 28.8 54.6 10.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3127 -0.8431 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110.2 44.0 -57.7 -44.2 51.2 87.8 23.4 51.0 88.3 21.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6261 0.7248 0.2875 0.5286 0.1236 0.8398 0.5732 0.6778 -0.4605 852 354 B I H ><5S+ 0 0 8 -4,-2.0 3,-2.1 3,-0.2 -2,-0.2 0.000 112.3 50.8 -68.4 -46.4 47.6 87.7 24.6 46.5 86.7 24.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4581 0.0143 0.8888 0.2732 0.9537 0.1255 -0.8459 0.3003 -0.4408 853 355 B I H 3<5S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.000 108.2 56.1 -56.6 -36.1 48.6 86.1 28.0 49.4 84.7 28.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4173 0.3596 0.8346 -0.8502 0.4788 0.2188 -0.3209 -0.8009 0.5056 854 356 B S T 3<5S- 0 0 88 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.000 133.5 -85.6 -81.5 1.0 51.1 88.9 28.3 52.5 88.9 27.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0705 0.9834 0.1675 -0.3812 -0.1286 0.9155 0.9218 -0.1283 0.3658 855 357 B G T < 5S+ 0 0 52 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.000 79.2 138.2 120.9 -5.6 48.4 91.6 27.9 49.3 92.6 28.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5168 0.7256 -0.4543 -0.8364 -0.5411 0.0872 -0.1825 0.4251 0.8866 856 358 B A < + 0 0 23 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.0 0.000 20.9 171.0 -75.6 132.8 47.8 92.2 24.3 48.6 91.8 23.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8118 0.0953 -0.5761 -0.2805 0.8017 0.5278 0.5121 0.5901 -0.6241 857 359 B N + 0 0 109 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 0.000 45.7 62.9-136.4 15.7 44.0 92.5 23.9 43.4 93.0 25.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9012 0.0965 -0.4226 0.1552 -0.8385 -0.5223 -0.4048 -0.5363 0.7407 858 360 B T S > S- 0 0 51 1,-0.1 4,-0.9 110,-0.1 3,-0.4 0.000 72.9-126.3-138.0 151.7 43.1 93.8 20.4 43.0 95.3 20.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0079 -0.1156 -0.9933 -0.5368 -0.8386 0.0933 -0.8437 0.5324 -0.0687 859 361 B A T >4 S+ 0 0 21 -2,-0.3 3,-0.9 1,-0.2 9,-0.2 0.000 111.8 56.6 -56.3 -44.2 43.6 92.3 17.0 42.5 92.1 15.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6584 0.1793 -0.7310 0.7086 -0.4750 0.5218 -0.2536 -0.8615 -0.4398 860 362 B Q T 34 S+ 0 0 99 1,-0.3 -1,-0.2 5,-0.1 6,-0.1 0.000 107.7 47.8 -64.5 -27.8 45.3 95.6 15.9 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950T 0 -2,-2.1 2,-0.3 -12,-0.2 -12,-0.2 0.000 47.7-170.3-161.5 153.3 48.0 82.6 6.4 49.0 81.9 7.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4388 0.4123 0.7984 -0.8909 -0.0836 -0.4464 -0.1173 -0.9072 0.4040 962 464 B V E - P 0 949T 1 -14,-2.4 -14,-2.5 -2,-0.3 2,-0.4 0.000 24.8-122.7-139.0 170.1 46.0 84.7 8.8 44.8 85.5 8.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3254 0.1430 0.9347 0.9435 0.1140 0.3111 -0.0621 0.9831 -0.1720 963 465 B V E -mP 869 948T 0 -96,-2.9 -94,-2.9 -2,-0.3 2,-0.8 0.000 8.8-147.2-122.1 132.1 45.1 84.3 12.5 46.2 84.7 13.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6955 -0.0123 0.7184 -0.4527 -0.7689 -0.4514 0.5579 -0.6392 0.5292 964 466 B M E -mP 870 947T 0 -18,-3.1 -18,-2.7 -2,-0.4 2,-1.1 0.000 9.1-159.0 -94.3 112.3 41.6 84.3 14.0 40.6 83.2 13.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4614 0.1962 0.8652 0.2357 0.9673 -0.0937 -0.8553 0.1607 -0.4926 965 467 B A E > -mP 871 946T 0 -96,-3.0 -94,-2.5 -2,-0.8 3,-0.6 0.000 19.6-159.9 -92.4 96.8 41.8 85.7 17.4 42.5 87.1 17.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5578 0.0514 0.8284 0.0602 -0.9929 0.1021 0.8278 0.1068 0.5508 966 468 B E E 3 -mP 872 945T 0 -22,-2.6 -22,-2.2 -2,-1.1 4,-0.1 0.000 59.8 -19.0 -93.2 122.6 38.6 84.3 18.7 38.3 82.8 18.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6820 0.0111 0.7313 -0.2338 0.9441 -0.2323 -0.6930 -0.3294 -0.6413 967 469 B D T >> S- 0 0 22 -96,-2.9 3,-2.2 -2,-0.5 4,-0.6 0.000 70.4-169.8 52.5 57.5 36.9 85.8 21.8 36.1 84.6 22.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2920 0.2810 0.9142 -0.0598 0.9594 -0.2758 -0.9546 0.0259 0.2969 968 470 B I H X> S+ 0 0 15 -3,-0.6 3,-1.6 -97,-0.3 4,-0.5 0.000 76.9 63.3 -46.7 -43.6 40.0 87.6 23.0 40.6 88.9 22.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3754 0.2508 0.8923 0.2201 -0.9593 0.1770 0.9004 0.1300 -0.4153 969 471 B P H 34 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.000 110.2 38.7 -59.8 -20.1 38.5 88.6 26.4 37.1 89.3 26.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0700 -0.4261 0.9020 0.9904 0.0783 0.1139 -0.1191 0.9013 0.4165 970 472 B N H <> S+ 0 0 77 -3,-2.2 4,-2.4 2,-0.1 -2,-0.2 0.000 87.9 97.9-107.5 4.3 38.2 84.9 27.4 36.9 84.1 27.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4683 -0.8596 0.2043 0.5145 0.4533 0.7279 -0.7183 -0.2358 0.6545 971 473 B T H > - 0 0 45 0, 0.0 4,-1.9 0, 0.0 3,-0.9 0.000 29.5-111.6 -76.2 154.5 51.3 74.3 32.0 51.4 72.9 31.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9209 -0.0336 0.3883 -0.3090 0.5443 0.7799 -0.2376 -0.8382 0.4909 979 481 B Q H 3> S+ 0 0 130 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.000 118.0 60.7 -52.0 -41.3 54.7 75.3 33.3 55.4 74.9 34.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9047 0.1084 -0.4120 -0.3179 0.8156 -0.4834 0.2836 0.5683 0.7724 980 482 B A H 34 S+ 0 0 50 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.000 104.7 47.6 -54.2 -39.0 56.3 73.4 30.5 56.1 71.9 30.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2149 0.1868 -0.9586 0.7274 0.6244 0.2847 0.6517 -0.7585 -0.0017 981 483 B W H X> S+ 0 0 7 -3,-0.9 3,-1.5 1,-0.2 4,-0.6 0.000 108.5 54.0 -68.4 -42.9 54.6 75.6 27.9 53.1 75.7 27.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1511 0.9226 -0.3550 0.8590 -0.3003 -0.4147 -0.4892 -0.2423 -0.8378 982 484 B S H 3< S+ 0 0 49 -4,-1.9 3,-0.3 1,-0.3 -2,-0.2 0.000 107.7 53.7 -61.3 -26.8 55.7 78.8 29.7 55.3 79.2 31.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8353 0.5445 0.0763 -0.0974 0.2831 -0.9541 -0.5411 0.7895 0.2895 983 485 B N T 3X S+ 0 0 76 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.3 0.000 88.9 80.8 -80.7 -12.7 59.2 77.5 29.5 59.7 76.3 30.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7590 -0.0887 -0.6450 0.0858 0.9957 -0.0360 0.6454 -0.0280 0.7633 984 486 B L H <> S+ 0 0 14 -3,-1.5 4,-2.9 -4,-0.4 5,-0.2 0.000 90.6 45.4 -69.1 -44.1 59.3 76.9 25.7 58.1 76.5 24.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4620 0.3557 -0.8124 0.8819 -0.2817 0.3781 -0.0944 -0.8911 -0.4438 985 487 B c H X S+ 0 0 11 -4,-0.6 4,-2.9 -3,-0.3 5,-0.3 0.000 111.8 51.2 -70.1 -45.6 59.9 80.4 24.5 58.9 81.6 24.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7800 0.6246 -0.0378 0.4959 -0.6539 -0.5714 -0.3816 0.4269 -0.8198 986 488 B P H > S+ 0 0 84 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.000 116.4 43.4 -51.6 -45.0 62.7 81.2 27.0 62.5 81.0 28.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9527 -0.3039 0.0080 0.2098 0.6383 -0.7406 0.2199 0.7073 0.6719 987 489 B T H < S+ 0 0 56 -4,-2.0 4,-0.4 1,-0.2 3,-0.2 0.000 115.3 47.2 -66.0 -46.5 64.4 77.9 26.0 63.9 76.5 26.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5237 -0.3251 -0.7874 0.7373 0.6360 0.2279 0.4267 -0.6999 0.5727 988 490 B Y H >< S+ 0 0 21 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.000 111.3 49.4 -62.2 -43.9 63.9 78.4 22.3 62.5 78.4 21.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4073 0.5304 -0.7435 0.8377 -0.5413 0.0728 -0.3638 -0.6524 -0.6648 989 491 B D H 3< S+ 0 0 90 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.000 105.2 58.9 -73.7 -21.0 65.1 81.9 22.1 64.3 83.1 22.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8636 0.5035 0.0246 0.2901 -0.4564 -0.8411 -0.4123 0.7336 -0.5403 990 492 B A T 3< S+ 0 0 87 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.000 87.2 102.7 -81.1 -8.7 68.3 81.0 24.1 68.3 80.6 25.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9003 -0.4082 -0.1515 0.2468 0.7651 -0.5947 0.3586 0.4980 0.7895 991 493 B L S < S- 0 0 40 -3,-1.3 5,-0.1 -4,-0.4 -3,-0.0 0.000 82.8-106.3 -73.1 150.8 69.3 78.5 21.4 68.3 77.6 20.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6289 -0.0478 -0.7760 0.7775 0.0317 0.6281 -0.0055 -0.9984 0.0571 992 494 B E > - 0 0 129 -2,-0.1 3,-2.6 1,-0.1 4,-0.3 0.000 32.9-114.5 -66.9 144.7 71.9 79.2 18.8 73.3 78.5 18.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0455 0.1488 -0.9878 -0.4303 0.8895 0.1538 0.9016 0.4320 0.0236 993 495 B P G > S+ 0 0 105 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.000 117.8 61.4 -51.5 -32.5 70.4 79.9 15.4 70.8 81.0 14.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2310 -0.5931 -0.7713 -0.7692 -0.3741 0.5180 -0.5958 0.7130 -0.3698 994 496 B S G 3 S+ 0 0 72 1,-0.2-438,-0.1-438,-0.1-437,-0.1 0.000 101.5 53.5 -71.7 -5.6 72.1 76.7 14.2 73.6 76.5 14.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1269 -0.9904 0.0553 -0.8050 0.0702 -0.5891 0.5795 -0.1192 -0.8062 995 497 B N G < 0 0 42 -3,-2.6-408,-0.4-439,-0.1 -1,-0.2 0.000 360.0 360.0-111.3 4.6 70.1 74.7 16.8 70.5 74.7 18.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8944 -0.3555 0.2715 -0.0370 -0.5460 -0.8369 0.4458 -0.7586 0.4752 996 498 B E < 0 0 71 -3,-1.4-439,-2.1 -4,-0.3-440,-0.2 0.000 360.0 360.0 -76.0 360.0 66.7 76.0 15.6 66.4 77.4 15.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7574 -0.3855 -0.5270 -0.1867 -0.6455 0.7406 -0.6256 0.6593 0.4169 printout DONE