# Bonding information for index 18 -- ACE_1@O THR_7@H THR_7@N # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 ## Starting information for simulation # 7 18 7 7425 3 2.99 2.1237 5.142 18 7 8326 3 2.96 1.7740 4.568 ## Starting information for simulation # 8 18 8 10256 3 3.00 2.6987 6.876 18 8 10257 3 2.83 2.3151 6.838 18 8 10259 3 2.95 2.6015 6.751 18 8 10260 3 2.77 2.7975 7.299 18 8 10261 3 2.98 2.8690 6.575 18 8 10262 3 2.78 2.1653 6.094 18 8 10266 3 2.86 2.2133 6.505 18 8 10267 3 2.74 2.7146 6.902 18 8 10268 3 2.88 2.3110 6.310 18 8 10270 3 2.89 2.2385 5.916 18 8 10271 3 2.88 2.1307 6.199 18 8 10272 3 2.93 2.2699 6.131 18 8 10273 3 2.91 2.0865 5.790 18 8 10274 3 2.92 2.3381 6.123 18 8 10279 3 2.80 2.5786 6.720 18 8 10282 3 2.80 2.8072 6.656 18 8 10286 3 2.89 2.4255 6.785 18 8 10289 3 2.95 2.9795 8.109 18 8 10290 3 2.87 2.9368 7.582 18 8 10291 3 2.91 2.7905 6.762 18 8 10294 3 2.80 2.9870 6.351 18 8 10297 3 2.96 2.3992 6.577 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 18 24 6202 3 2.97 1.8803 8.752 18 24 6203 3 2.87 2.4651 8.921 18 24 6221 3 2.99 2.0247 8.803 18 24 6235 3 2.84 1.7782 9.010 18 24 6240 3 2.95 1.7735 8.834 18 24 6243 3 2.81 1.7969 8.715 18 24 6264 3 2.91 1.8662 8.772 ## Starting information for simulation # 25 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 18 28 10805 3 2.68 2.2093 7.922 18 28 10806 3 2.88 2.3536 7.900 18 28 10809 3 2.99 1.9760 8.857 18 28 10817 3 2.97 2.0050 8.623 18 28 10818 3 2.94 2.1186 8.562 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36 18 36 4018 3 2.92 1.8705 7.062 18 36 4026 3 2.99 2.0168 7.039 18 36 4035 3 2.90 1.8415 7.075 18 36 4085 3 2.82 1.9180 6.860 18 36 4095 3 2.96 1.8825 7.312 18 36 4123 3 2.91 2.3715 7.493 18 36 4131 3 2.93 1.7456 7.028 18 36 4132 3 2.96 1.7738 6.915 18 36 4150 3 2.82 1.7866 7.167 18 36 4152 3 2.92 1.9427 6.858 18 36 4154 3 2.89 2.0079 7.370 18 36 4161 3 2.95 2.0192 6.974 18 36 4181 3 2.96 1.8858 7.143 18 36 4198 3 2.86 1.9004 7.102 18 36 4216 3 2.96 1.8189 6.697 18 36 4224 3 2.94 1.9265 6.960 18 36 4275 3 2.89 1.7463 7.443 18 36 4295 3 2.86 1.8569 6.931 18 36 4301 3 2.97 1.9289 6.940 18 36 4306 3 2.80 1.9540 7.226 18 36 4313 3 2.88 1.9329 6.793 18 36 4316 3 2.91 1.9103 6.567 18 36 4332 3 2.96 1.9113 6.691 18 36 4342 3 2.94 1.8886 6.862 18 36 4372 3 2.86 1.9328 7.250 18 36 4373 3 2.97 1.7752 6.654 18 36 4415 3 2.85 1.8727 6.708 18 36 4433 3 2.77 1.7923 6.806 18 36 4442 3 2.89 1.8853 6.438 18 36 4476 3 2.98 1.9930 6.615 18 36 4543 3 2.96 1.7778 6.590 18 36 4558 3 2.98 1.8308 6.895 18 36 4652 3 2.95 1.8195 6.767 18 36 4656 3 2.97 1.7856 7.049 18 36 4670 3 2.97 1.8282 7.465 18 36 4700 3 2.99 1.8386 6.769 18 36 4743 3 2.84 1.8169 7.011 18 36 4795 3 2.87 1.7897 6.508 18 36 4837 3 2.84 1.7739 7.059 18 36 4855 3 2.93 1.7530 6.975 18 36 4892 3 2.91 1.7855 6.973 18 36 4897 3 2.90 1.7733 6.898 18 36 4907 3 2.81 1.8022 7.536 18 36 4921 3 2.94 1.7978 7.064 18 36 4922 3 2.98 1.8966 7.058 18 36 4928 3 2.97 1.8258 7.147 18 36 4937 3 2.92 1.8272 7.191 18 36 4948 3 3.00 1.8602 7.206 18 36 4963 3 2.96 1.8498 7.115 18 36 5004 3 2.97 1.8592 6.994 18 36 5012 3 2.92 1.7793 6.857 18 36 5030 3 2.96 1.8468 7.335 18 36 5073 3 2.79 2.0141 7.207 18 36 5084 3 2.70 1.7762 6.739 18 36 5116 3 2.82 2.0730 7.105 18 36 5140 3 2.99 1.8729 6.919 18 36 10062 3 2.79 2.0105 7.025 18 36 10075 3 2.98 1.7883 6.766 18 36 10092 3 2.78 2.1193 6.865 18 36 10102 3 2.84 1.8882 6.805 18 36 10127 3 3.00 1.8171 7.010 18 36 10148 3 3.00 1.8865 7.092 18 36 10158 3 2.73 1.9281 6.970 18 36 10159 3 2.98 2.0390 6.513 18 36 10162 3 2.99 2.0284 7.141 18 36 10171 3 2.92 1.7521 6.813 18 36 10172 3 2.84 1.7940 6.796 18 36 10181 3 2.73 1.8077 6.648 18 36 10199 3 2.94 1.8157 6.775 18 36 10219 3 2.98 1.7667 7.192 18 36 10255 3 2.82 1.7477 7.198 18 36 10258 3 2.91 1.8508 6.706 18 36 10282 3 2.77 1.8522 7.043 18 36 10284 3 2.99 1.8822 6.678 18 36 10298 3 2.91 2.0516 7.027 18 36 10302 3 2.72 2.1263 7.123 18 36 10327 3 2.77 1.8936 7.244 18 36 10336 3 2.83 2.2321 6.958 18 36 10340 3 2.98 2.0081 6.988 18 36 10346 3 2.99 1.8942 6.884 18 36 10369 3 2.96 2.1687 6.808 18 36 10381 3 2.94 1.9229 7.139 18 36 10457 3 2.97 1.7792 7.111 18 36 10459 3 2.99 2.0240 7.217 18 36 10465 3 2.97 1.7946 7.016 18 36 10468 3 2.76 1.8250 6.943 18 36 10475 3 2.97 1.9614 6.894 18 36 10491 3 2.99 1.8174 7.094 18 36 10494 3 2.85 1.8086 6.997 18 36 10503 3 2.97 1.8305 6.921 18 36 10504 3 2.96 1.8386 7.072 18 36 10506 3 2.89 1.9883 7.220 18 36 10511 3 2.90 1.7877 6.752 18 36 10514 3 2.87 1.7587 7.085 18 36 10520 3 2.73 2.1521 7.456 18 36 10526 3 2.97 1.8374 7.033 18 36 10538 3 2.94 1.8523 7.420 18 36 10541 3 2.77 1.9916 6.535 18 36 10544 3 2.79 1.9159 6.502 18 36 10555 3 2.96 2.0512 7.349 18 36 10557 3 2.95 1.7552 6.498 18 36 10559 3 2.87 1.8254 6.798 18 36 10576 3 2.93 1.8182 6.663 18 36 10579 3 2.81 1.7656 7.061 18 36 10587 3 2.77 1.8668 7.210 18 36 10601 3 2.90 1.9282 7.073 18 36 10605 3 2.84 1.7496 7.245 18 36 10617 3 2.87 1.8379 6.764 18 36 10622 3 2.74 1.9311 7.010 18 36 10643 3 2.96 1.8610 6.861 18 36 10646 3 2.97 1.8711 7.028 18 36 10649 3 2.83 1.9751 6.665 18 36 10650 3 2.86 2.1728 7.273 18 36 10669 3 2.96 1.8598 6.922 18 36 10686 3 2.99 1.8318 6.892 18 36 10693 3 2.85 1.8924 7.220 18 36 10695 3 2.96 1.8879 7.230 18 36 10698 3 2.93 1.7965 7.635 18 36 10714 3 3.00 1.7582 7.307 18 36 10744 3 2.81 1.7932 7.105 18 36 10751 3 3.00 1.7854 7.108 18 36 10764 3 2.95 2.0185 7.167 ## Starting information for simulation # 37 ## Starting information for simulation # 38 18 38 3944 3 2.94 2.8454 10.773 ## Starting information for simulation # 39 18 39 5251 3 2.98 2.9539 6.911 18 39 5253 3 2.99 2.8080 7.414 18 39 5258 3 2.95 2.8100 6.814 18 39 5259 3 2.87 2.9941 6.973 18 39 5260 3 2.96 2.7799 6.877 18 39 5269 3 2.82 2.7368 7.294 18 39 5270 3 2.88 2.9669 7.097 18 39 5291 3 2.80 2.5623 7.032 18 39 5293 3 2.99 2.5856 6.226 18 39 5294 3 2.94 2.7111 6.773 18 39 5304 3 2.89 2.6602 6.934 18 39 5307 3 2.99 2.7661 7.121 18 39 5309 3 2.92 2.7389 7.053 18 39 5310 3 3.00 3.0282 6.824 18 39 5350 3 2.94 2.2783 7.018 18 39 5351 3 2.82 2.9864 7.556 18 39 5352 3 2.87 2.7817 6.735 18 39 5353 3 2.87 2.6634 6.950 18 39 5358 3 2.99 2.5192 7.365 18 39 5364 3 2.97 2.7033 6.800 18 39 5367 3 2.91 2.7866 7.041 18 39 5377 3 2.92 2.9980 6.438 18 39 5387 3 2.92 3.0265 7.141 18 39 5388 3 2.80 2.8376 7.025 18 39 5389 3 2.91 2.9879 7.307 18 39 5390 3 2.92 2.6647 7.262 18 39 5398 3 2.94 2.6056 7.056 18 39 5404 3 2.88 2.7530 6.570 18 39 5407 3 3.00 2.8903 7.262 18 39 5413 3 2.93 2.8815 6.426 18 39 5414 3 2.98 2.8782 6.495 18 39 5421 3 2.91 2.8267 7.100 18 39 5424 3 2.83 2.5971 6.728 18 39 5425 3 2.95 2.8279 6.952 18 39 5434 3 2.99 2.4799 7.372 18 39 5439 3 2.88 3.0283 7.096 18 39 5443 3 2.95 2.4841 6.785 18 39 5444 3 2.98 2.7757 6.807 18 39 5449 3 2.93 2.5938 6.962 18 39 8729 3 2.90 2.6752 9.361 18 39 8780 3 2.88 3.0843 8.617 18 39 10175 3 2.90 2.9830 7.565 18 39 10210 3 2.84 2.3303 7.263 ## Starting information for simulation # 40 ## Starting information for simulation # 41 ## Starting information for simulation # 42 ## Starting information for simulation # 43 ## Starting information for simulation # 44 18 44 3689 3 2.84 2.4677 10.410 ## Starting information for simulation # 45 ## Starting information for simulation # 46 ## Starting information for simulation # 47 ## Starting information for simulation # 48