HEADER ISOMERASE 09-NOV-95 1OTG . COMPND 2 MOLECULE: 5-CARBOXYMETHYL-2-HYDROXYMUCONATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI C; . AUTHOR H.S.SUBRAMANYA,D.I.ROPER,Z.DAUTER,E.J.DODSON,G.J.DAVIES, . 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 . 375 # 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 2 A P 0 0 13 0, 0.0 39,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 158.4 21.1 76.8 4.2 21.7 78.0 5.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8446 -0.4621 -0.2704 -0.4093 -0.2318 -0.8825 0.3451 0.8560 -0.3849 2 3 A H E -aB 40 66A 8 64,-3.3 64,-3.4 37,-0.2 2,-0.6 0.000 360.0-170.9-116.2 125.5 23.6 74.3 3.1 23.5 73.7 1.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9245 -0.3700 0.0914 -0.1797 -0.2117 0.9607 -0.3361 -0.9046 -0.2622 3 4 A F E -aB 41 65A 1 37,-2.4 39,-2.0 -2,-0.5 2,-0.4 0.000 16.3-176.2-111.1 99.1 26.9 74.0 4.8 27.1 74.2 6.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8928 -0.4497 -0.0269 0.1882 0.4264 -0.8847 0.4093 0.7848 0.4653 4 5 A I E -aB 42 64A 30 60,-3.0 60,-3.0 -2,-0.6 2,-0.4 0.000 3.8-169.8-105.0 129.2 29.1 71.5 2.7 28.7 71.4 1.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8778 -0.4611 -0.1299 -0.1101 -0.4580 0.8821 -0.4662 -0.7600 -0.4528 5 6 A V E -aB 43 63A 0 37,-2.0 39,-2.4 -2,-0.4 2,-0.4 0.000 13.3-165.1-118.8 141.3 32.6 70.5 3.7 32.7 70.3 5.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8530 -0.4775 -0.2106 0.1585 0.6215 -0.7672 0.4973 0.6210 0.6058 6 7 A E E +aB 44 62A 19 56,-2.6 56,-2.0 -2,-0.4 2,-0.4 0.000 21.1 179.6-113.6 125.9 35.3 68.5 1.7 35.7 68.8 0.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8518 -0.5114 0.1137 -0.4843 -0.6858 0.5433 -0.1999 -0.5179 -0.8318 7 8 A C E -aB 45 61A 0 37,-1.8 39,-2.3 -2,-0.4 54,-0.2 0.000 32.3-121.2-134.0 135.6 38.0 67.2 4.1 37.5 67.1 5.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8635 -0.4510 0.2259 0.4819 0.6055 -0.6333 0.1488 0.6557 0.7402 8 9 A S E > -a 46 0A 0 52,-2.1 3,-1.5 -2,-0.4 39,-0.2 0.000 29.3-130.0 -67.1 136.0 41.2 65.1 3.3 42.6 65.7 3.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3362 -0.8671 0.3677 -0.7680 -0.4784 -0.4259 0.5452 -0.1392 -0.8267 9 10 A D G > S+ 0 0 58 37,-3.0 3,-1.0 1,-0.3 4,-0.3 0.000 95.5 83.9 -71.2 -0.1 40.8 62.0 5.5 40.2 60.6 5.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4204 -0.4591 0.7826 -0.2114 0.7892 0.5766 -0.8824 -0.4078 0.2348 10 11 A N G 3 S+ 0 0 37 1,-0.2 -1,-0.3 36,-0.2 4,-0.1 0.000 102.5 35.5 -71.8 -18.5 44.4 62.2 7.0 45.6 62.7 6.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3677 0.2814 0.8864 -0.4065 -0.8086 0.4253 0.8364 -0.5167 -0.1829 11 12 A I G <> S+ 0 0 0 -3,-1.5 4,-2.5 49,-0.1 5,-0.3 0.000 82.9 118.4-115.8 12.4 42.8 64.6 9.5 42.9 66.2 9.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6924 0.1567 0.7043 0.3573 -0.7736 0.5233 0.6269 0.6140 0.4797 12 13 A R H <>>S+ 0 0 90 -3,-1.0 4,-0.7 1,-0.2 5,-0.5 0.000 78.5 40.0 -50.4 -44.8 39.4 62.9 9.9 39.1 61.7 9.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6630 -0.1576 0.7319 -0.1887 0.9812 0.0403 -0.7244 -0.1114 -0.6803 13 14 A E H 45S+ 0 0 159 -4,-0.3 3,-0.5 1,-0.2 -1,-0.2 0.000 120.9 42.2 -67.2 -49.1 39.7 62.1 13.6 40.7 61.2 14.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0399 0.4850 0.8736 -0.9695 0.1926 -0.1512 -0.2416 -0.8530 0.4625 14 15 A E H 45S+ 0 0 103 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.000 100.1 69.3 -72.7 -23.9 41.3 65.4 14.7 42.8 65.6 14.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1582 0.9838 0.0846 -0.6577 -0.1689 0.7341 0.7365 0.0605 0.6738 15 16 A A H <5S- 0 0 1 -4,-2.5 -1,-0.2 79,-0.0 -2,-0.1 0.000 85.1-155.5 -63.5 -34.3 39.2 67.7 12.6 38.9 67.3 11.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8067 0.5711 0.1518 0.5453 0.6205 0.5636 0.2277 0.5375 -0.8120 16 17 A D T X5 + 0 0 79 -4,-0.7 4,-1.3 -3,-0.5 -3,-0.1 0.000 18.1 179.0 58.1 61.7 36.3 66.8 14.9 36.5 67.5 16.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9688 0.2451 0.0375 -0.2386 -0.8803 -0.4100 -0.0675 -0.4061 0.9113 17 18 A L H >> S+ 0 0 76 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.000 106.6 49.5 -50.7 -48.0 30.7 66.6 14.6 30.7 65.3 15.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5137 0.4975 0.6991 -0.4588 0.5292 -0.7137 -0.7250 -0.6873 -0.0436 19 20 A G H 3> S+ 0 0 18 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.000 109.9 49.8 -63.8 -32.1 31.8 69.2 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87 -3,-0.8 3,-0.7 1,-0.3 -1,-0.2 0.000 86.8 64.7 -55.1 -28.5 9.8 72.8 10.4 9.4 73.6 9.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6144 0.5305 0.5841 0.6490 -0.0813 0.7564 0.4487 0.8438 -0.2943 122 123 A A G <4 S+ 0 0 80 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.000 95.5 56.8 -58.8 -39.0 6.6 71.4 12.1 6.0 70.1 11.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3344 -0.2093 0.9189 -0.1557 0.9739 0.1652 -0.9295 -0.0878 -0.3582 123 124 A L G <4 S+ 0 0 79 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.000 122.5 20.8 -65.0 -32.5 8.7 70.2 15.0 10.0 69.4 14.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3893 0.3436 0.8546 -0.9111 0.0071 0.4122 0.1355 -0.9391 0.3158 124 125 A F << 0 0 43 -3,-0.7 -3,-0.1 -4,-0.7 0, 0.0 0.000 360.0 360.0-105.6-131.5 10.0 73.7 15.7 11.3 74.3 15.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2941 0.9515 0.0902 -0.4247 -0.2146 0.8795 0.8562 0.2204 0.4672 125 126 A K 0 0 209 -2,-0.1 -3,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 82.6 360.0 8.3 76.8 14.4 7.0 76.3 13.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4966 0.8025 0.3308 0.7964 0.5728 -0.1941 -0.3453 0.1670 -0.9235 126 2 B P 0 0 18 0, 0.0 39,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 165.0 23.2 67.6 -18.0 21.6 67.9 -18.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1489 -0.1181 0.9818 0.8954 0.4373 -0.0831 -0.4196 0.8915 0.1709 127 3 B H E -lM 166 192C 5 64,-2.2 64,-3.0 37,-0.2 2,-0.7 0.000 360.0-168.3-121.3 119.5 24.4 66.6 -14.5 25.7 67.3 -13.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2030 -0.2355 0.9504 -0.4040 -0.8640 -0.3004 0.8919 -0.4450 0.0803 128 4 B F E -lM 167 191C 0 37,-2.7 39,-2.3 -2,-0.5 2,-0.5 0.000 16.4-175.8-110.5 104.2 22.0 65.4 -11.8 20.7 64.7 -12.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0833 -0.2491 0.9649 0.3026 0.9162 0.2627 -0.9495 0.3139 -0.0009 129 5 B I E -lM 168 190C 27 60,-2.5 60,-2.5 -2,-0.7 2,-0.4 0.000 3.9-171.8-109.2 125.2 24.0 65.4 -8.5 25.1 66.5 -8.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0160 -0.1494 0.9887 -0.2177 -0.9656 -0.1424 0.9759 -0.2130 -0.0479 130 6 B V E -lM 169 189C 0 37,-2.5 39,-2.8 -2,-0.5 2,-0.5 0.000 14.3-162.6-114.6 145.0 22.5 64.2 -5.3 21.5 62.9 -5.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1053 -0.1353 0.9852 0.0342 0.9906 0.1324 -0.9938 0.0198 0.1090 131 7 B E E -lM 170 188C 19 56,-2.2 56,-2.2 -2,-0.4 2,-0.4 0.000 21.7-176.4-118.6 123.0 23.9 64.3 -1.7 24.4 65.5 -1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1425 -0.3780 0.9148 0.2771 -0.9025 -0.3298 0.9502 0.2065 0.2333 132 8 B C E -lM 171 187C 0 37,-2.0 39,-2.3 -2,-0.5 54,-0.2 0.000 28.1-125.6-128.0 130.2 22.0 61.8 0.5 21.5 60.6 -0.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1851 -0.4527 0.8723 -0.2671 0.8773 0.3987 -0.9457 -0.1592 -0.2833 133 9 B S E > -l 172 0C 0 52,-1.7 3,-1.4 -2,-0.4 39,-0.2 0.000 27.6-129.8 -67.5 138.8 22.3 61.1 4.3 21.7 61.7 5.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1213 -0.8364 0.5345 0.9084 -0.1234 -0.3994 0.4000 0.5340 0.7449 134 10 B D G > S+ 0 0 66 37,-2.3 3,-1.2 1,-0.3 4,-0.2 0.000 93.9 87.0 -77.8 4.0 23.0 57.4 4.7 24.4 56.9 4.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4231 -0.8375 0.3457 -0.7930 0.1578 -0.5884 0.4383 -0.5231 -0.7309 135 11 B N G 3 S+ 0 0 37 1,-0.3 -1,-0.3 48,-0.2 3,-0.1 0.000 103.2 34.0 -71.1 -16.7 20.3 56.9 7.3 19.8 57.7 8.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8849 -0.4647 -0.0325 0.4602 -0.8613 -0.2154 0.0721 -0.2056 0.9760 136 12 B I G <> S+ 0 0 0 -3,-1.4 4,-2.8 1,-0.1 -1,-0.3 0.000 81.6 128.6-120.4 21.6 17.9 56.4 4.3 17.0 57.6 3.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2173 -0.4490 -0.8667 0.0391 -0.8912 0.4519 -0.9753 0.0643 0.2112 137 13 B R T <4 S+ 0 0 97 -3,-1.2 4,-0.4 1,-0.2 5,-0.4 0.000 81.2 28.2 -46.9 -48.2 20.4 54.8 2.0 21.7 54.2 2.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0388 -0.6648 -0.7460 -0.4150 0.6899 -0.5932 0.9090 0.2866 -0.3027 138 14 B E T >4 S+ 0 0 161 -4,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.000 119.3 53.9 -85.1 -34.3 18.2 51.8 1.1 18.1 50.5 1.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8672 -0.2384 -0.4371 0.3141 0.4193 -0.8518 0.3864 -0.8760 -0.2888 139 15 B E T 34 S+ 0 0 102 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.000 98.6 66.4 -65.0 -34.5 14.8 53.3 1.6 14.1 54.0 2.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6007 0.5983 -0.5303 -0.1479 -0.7350 -0.6617 -0.7857 -0.3191 0.5300 140 16 B A T 3< S- 0 0 0 -4,-2.8 5,-0.3 79,-0.0 -1,-0.2 0.000 82.9-156.2 -61.0 -29.1 15.7 56.1 -0.8 16.9 57.0 -0.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0662 0.2014 -0.9773 -0.9972 0.0213 0.0720 0.0353 0.9793 0.1994 141 17 B D <> + 0 0 82 -3,-0.5 4,-1.7 -4,-0.4 5,-0.1 0.000 18.2 176.8 44.8 67.7 16.0 53.9 -3.9 14.6 53.2 -4.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1548 0.2001 -0.9675 0.9686 -0.2235 0.1088 -0.1944 -0.9539 -0.2285 142 18 B L H > S+ 0 0 0 -5,-0.4 4,-3.3 2,-0.3 5,-0.3 0.000 79.4 56.0 -67.3 -41.2 18.3 56.4 -5.8 19.6 56.9 -5.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2670 0.1639 -0.9496 -0.9308 0.2991 -0.2101 0.2496 0.9400 0.2324 143 19 B P H > S+ 0 0 74 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.000 107.4 50.8 -58.7 -33.5 18.6 53.9 -8.7 19.1 52.4 -8.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5628 -0.2246 -0.7955 0.2629 0.8638 -0.4298 0.7837 -0.4510 -0.4271 144 20 B G H > S+ 0 0 11 2,-0.2 4,-1.0 1,-0.2 -2,-0.3 0.000 111.0 46.0 -72.6 -45.2 14.8 54.0 -8.8 14.0 53.6 -7.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6998 0.6343 -0.3287 0.2418 -0.2226 -0.9444 -0.6722 -0.7404 0.0024 145 21 B L H X S+ 0 0 0 -4,-1.7 4,-3.2 -5,-0.3 3,-0.4 0.000 114.5 48.6 -63.9 -42.1 14.8 57.8 -8.9 15.3 58.7 -7.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2093 0.6559 -0.7253 -0.8213 -0.2846 -0.4944 -0.5306 0.6991 0.4792 146 22 B F H X S+ 0 0 1 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.000 103.4 60.5 -64.2 -37.9 17.5 57.8 -11.6 19.0 57.4 -11.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0556 -0.1660 -0.9846 -0.5684 0.8054 -0.1679 0.8208 0.5690 -0.0496 147 23 B A H < S+ 0 0 50 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.000 116.0 34.7 -57.6 -36.3 15.6 55.2 -13.6 15.2 53.8 -13.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7478 0.0286 -0.6633 0.6157 0.4037 -0.6767 0.2485 -0.9145 -0.3194 148 24 B K H X S+ 0 0 89 -4,-1.0 4,-1.8 -3,-0.4 -2,-0.2 0.000 115.2 54.8 -84.0 -48.7 12.7 57.7 -13.8 11.8 58.1 -12.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2166 0.8963 -0.3869 0.0619 -0.3829 -0.9217 -0.9743 -0.2236 0.0275 149 25 B V H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.000 102.1 55.4 -53.8 -46.5 14.7 61.0 -14.0 15.8 61.4 -12.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4808 0.5282 -0.6999 -0.8756 0.2474 -0.4149 -0.0460 0.8123 0.5814 150 26 B N H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.000 111.9 41.2 -58.8 -53.9 17.0 60.1 -17.0 18.0 58.9 -17.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0738 0.0533 -0.9958 -0.0398 0.9976 0.0563 0.9965 0.0438 -0.0715 151 27 B P H > S+ 0 0 63 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.000 112.0 55.9 -65.2 -32.2 14.1 59.3 -19.4 13.3 58.0 -19.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7553 0.4915 -0.4335 0.6525 0.5027 -0.5670 -0.0608 -0.7111 -0.7004 152 28 B T H < S+ 0 0 40 -4,-1.8 4,-0.4 2,-0.2 -2,-0.2 0.000 108.9 46.7 -72.3 -29.1 12.0 62.2 -18.3 11.0 62.3 -17.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0387 0.9727 -0.2287 -0.0957 -0.2315 -0.9681 -0.9947 -0.0155 0.1021 153 29 B L H >< S+ 0 0 3 -4,-1.9 3,-0.8 1,-0.2 6,-0.6 0.000 115.2 47.3 -69.4 -46.4 14.9 64.6 -19.1 16.2 64.6 -18.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3805 0.3971 -0.8352 -0.8340 0.5376 -0.1243 0.3997 0.7438 0.5357 154 30 B A H >< S+ 0 0 29 -4,-2.2 3,-1.8 1,-0.2 5,-0.3 0.000 101.8 63.4 -62.4 -44.7 15.4 63.0 -22.4 15.8 61.5 -22.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5045 -0.0204 -0.8632 0.2484 0.9540 -0.1678 0.8269 -0.2991 -0.4762 155 31 B A T 3< S+ 0 0 91 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.000 90.5 70.0 -58.4 -13.0 11.5 63.0 -23.3 10.5 62.2 -22.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6819 0.6182 -0.3908 0.4689 -0.0405 -0.8823 -0.5613 -0.7849 -0.2623 156 32 B T T < S- 0 0 47 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.000 99.8-133.6 -71.1 -28.4 11.6 66.9 -23.3 12.6 67.3 -22.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1541 0.7797 -0.6069 -0.9417 -0.0701 -0.3291 -0.2992 0.6222 0.7234 157 33 B G S < S+ 0 0 74 -3,-1.8 -2,-0.1 -4,-0.3 -3,-0.1 0.000 88.7 87.6 79.3 -3.4 13.7 66.9 -26.4 12.6 67.4 -27.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7106 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51.8 -59.4 -25.6 23.9 60.2 -24.3 24.5 60.2 -25.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8761 0.2046 0.4365 -0.2457 -0.5895 0.7695 0.4147 -0.7814 -0.4662 163 39 B G G < S+ 0 0 6 -3,-0.7 2,-0.6 139,-0.1 -1,-0.3 0.000 78.7 105.8 -89.6 -7.6 24.6 63.3 -22.2 24.3 64.6 -22.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0303 0.4155 0.9091 0.7391 -0.6030 0.3002 0.6729 0.6810 -0.2888 164 40 B I < - 0 0 1 -3,-1.6 139,-2.5 -4,-0.3 2,-0.5 0.000 42.7-178.8 -84.8 118.8 22.6 62.7 -18.9 21.0 62.4 -18.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1151 -0.2920 0.9495 0.6328 0.7583 0.1565 -0.7657 0.5828 0.2721 165 41 B R E -lN 128 303C 16 -39,-2.4 -37,-2.7 -2,-0.6 2,-0.4 0.000 1.3-179.3-121.4 110.5 24.8 61.8 -15.9 26.2 62.4 -16.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0938 -0.1602 0.9826 -0.5746 -0.8147 -0.0779 0.8131 -0.5573 -0.1684 166 42 B S E +lN 129 302C 0 135,-2.1 135,-3.1 -2,-0.5 2,-0.3 0.000 12.1 154.1-109.7 133.6 23.0 61.1 -12.6 21.7 60.4 -12.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0745 -0.3267 0.9422 0.4649 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2,-0.4 0.000 13.2-163.5-148.6 146.8 17.9 65.1 4.0 18.7 66.4 4.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1475 0.2534 -0.9560 -0.9248 -0.3074 -0.2242 -0.3507 0.9172 0.1890 186 62 B V E -Mo 133 228C 0 40,-2.9 42,-1.5 -2,-0.3 2,-0.4 0.000 10.7-172.8-130.3 120.0 18.2 64.8 0.2 17.3 63.8 -0.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2431 0.4266 -0.8712 0.9472 0.0890 0.3079 0.2089 -0.9000 -0.3825 187 63 B H E -Mo 132 229C 3 -56,-2.2 -56,-2.2 -2,-0.4 2,-0.4 0.000 6.8-171.2-118.8 128.2 19.8 67.8 -1.7 20.7 68.8 -1.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2558 0.3763 -0.8905 -0.9491 -0.0775 -0.3054 -0.1839 0.9232 0.3373 188 64 B M E -Mo 131 230C 0 40,-1.9 42,-1.9 -2,-0.4 2,-0.4 0.000 9.2-170.7-122.8 135.6 19.7 67.7 -5.6 18.4 67.0 -6.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2031 0.3857 -0.9000 0.9768 -0.1436 0.1589 -0.0680 -0.9114 -0.4059 189 65 B T E -Mo 130 231C 17 -60,-2.5 -60,-2.5 -2,-0.4 2,-0.6 0.000 8.2-162.0-124.6 129.3 21.3 69.9 -8.2 22.8 70.5 -7.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1132 0.2773 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0.000 89.9 62.6 -65.7 166.7 23.7 77.8 -20.4 24.7 78.9 -20.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5611 0.6126 -0.5567 -0.8263 -0.3745 0.4207 0.0493 0.6960 0.7164 195 71 B G + 0 0 74 1,-0.3 2,-0.2 38,-0.0 -1,-0.2 0.000 61.9 126.9 99.3 -8.7 21.3 79.5 -22.8 22.1 78.9 -24.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8743 0.0107 -0.4852 -0.2564 0.8387 0.4804 0.4121 0.5445 -0.7306 196 72 B R - 0 0 67 -3,-0.5 -1,-0.3 1,-0.1 5,-0.1 0.000 67.6-100.4 -80.0 140.7 17.8 77.9 -22.1 17.5 76.5 -21.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9052 0.2997 0.3013 -0.1139 0.5120 -0.8514 -0.4094 -0.8050 -0.4294 197 73 B S > - 0 0 62 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 0.000 24.3-121.8 -56.4 154.3 15.0 80.3 -21.4 13.7 80.4 -22.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4854 0.2874 0.8257 0.8057 0.5136 0.2949 -0.3393 0.8084 -0.4809 198 74 B L H > S+ 0 0 75 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.000 114.7 58.1 -65.0 -37.6 14.1 80.8 -17.8 13.9 82.1 -17.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6561 -0.4398 0.6133 0.5458 -0.8378 -0.0168 0.5212 0.3237 0.7897 199 75 B E H > S+ 0 0 147 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.000 106.5 45.2 -62.8 -43.0 10.7 79.6 -18.8 9.9 80.3 -19.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4490 -0.8816 -0.1458 0.0491 -0.1873 0.9811 -0.8922 0.4333 0.1274 200 76 B S H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.000 114.1 50.2 -65.3 -39.1 11.9 76.2 -20.1 13.0 75.7 -21.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3332 -0.8279 0.4512 -0.9262 -0.1978 0.3211 -0.1766 -0.5249 -0.8327 201 77 B R H X S+ 0 0 33 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.000 110.2 51.5 -65.5 -38.0 14.2 75.8 -17.0 15.3 76.7 -16.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1391 -0.2872 0.9477 -0.2335 -0.9205 -0.3132 0.9624 -0.2649 0.0609 202 78 B Q H X S+ 0 0 56 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.000 111.7 44.6 -62.7 -43.6 11.2 76.6 -14.9 10.4 77.9 -15.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8075 -0.4962 0.3189 0.5743 -0.5379 0.6171 -0.1347 0.6815 0.7193 203 79 B Q H X S+ 0 0 108 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.000 114.0 48.9 -74.4 -34.1 8.9 73.9 -16.6 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0.1288 0.7054 0.6970 373 124 C L G <4 S+ 0 0 83 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.000 121.2 25.6 -76.7 -33.5 57.0 76.8 3.0 56.4 75.4 2.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6061 -0.2524 -0.7543 0.7491 0.5000 0.4346 0.2675 -0.8284 0.4921 374 125 C F << 0 0 51 -3,-1.1 -3,-0.1 -4,-0.7 0, 0.0 0.000 360.0 360.0 -98.4-118.6 57.2 78.1 -0.6 56.0 77.8 -1.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3583 0.7695 -0.5286 0.9331 -0.2761 0.2305 0.0314 -0.5758 -0.8170 375 126 C K 0 0 193 -2,-0.1 -3,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 39.2 360.0 57.2 81.9 -0.9 56.3 82.3 0.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7288 0.6649 0.1636 0.1221 0.1090 -0.9865 -0.6737 0.7390 -0.0017 printout DONE