# Bonding information for index 211 -- THR_6@OG1 THR_5@HG1 THR_5@OG1 # 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 # 7 211 7 6296 3 2.81 2.4609 7.766 211 7 6676 3 2.73 2.7669 5.320 211 7 6711 3 2.95 2.7456 5.291 211 7 7070 3 2.82 3.1045 4.887 211 7 7267 3 2.79 2.5842 5.187 211 7 7513 3 2.86 2.7098 4.897 211 7 7685 3 2.93 2.7169 4.656 211 7 7755 3 2.86 2.9525 5.461 211 7 7822 3 2.83 2.4988 4.642 211 7 7837 3 2.94 2.8070 4.719 211 7 7861 3 2.95 2.8567 4.994 211 7 7862 3 2.88 2.8056 4.809 211 7 7949 3 2.88 3.0330 4.992 211 7 8198 3 2.86 2.9718 4.848 211 7 8387 3 2.72 2.9709 4.796 211 7 8474 3 2.81 2.9713 8.185 ## Starting information for simulation # 8 ## Starting information for simulation # 9 211 9 255 3 2.82 2.7827 6.428 211 9 3661 3 2.90 2.4287 6.643 211 9 3665 3 2.99 2.6953 7.050 211 9 3666 3 2.86 2.9939 6.886 211 9 3734 3 2.88 2.7824 7.312 211 9 3812 3 2.78 2.8938 7.115 211 9 3876 3 2.81 2.3827 7.182 211 9 3915 3 2.79 2.7512 7.240 211 9 3956 3 2.95 2.8994 6.801 211 9 5088 3 2.79 2.9968 7.198 211 9 5196 3 2.80 2.5984 7.432 211 9 9547 3 2.99 2.7509 8.065 211 9 10138 3 2.79 2.7387 7.653 211 9 10178 3 2.85 2.4015 8.451 ## Starting information for simulation # 10 211 10 6064 3 2.96 2.0251 5.326 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 211 13 3844 3 2.79 2.9544 6.121 ## Starting information for simulation # 14 211 14 1842 3 2.57 3.0993 8.776 211 14 9349 3 2.88 3.0918 10.418 211 14 10007 3 2.79 3.1217 9.621 211 14 10023 3 2.68 2.6889 10.037 211 14 10240 3 2.86 3.0191 9.449 211 14 10523 3 2.59 2.9430 9.982 211 14 10686 3 2.78 2.9546 8.383 ## Starting information for simulation # 15 ## Starting information for simulation # 16 211 16 7767 3 2.89 2.7862 7.805 ## Starting information for simulation # 17 211 17 1176 3 2.99 2.2295 8.519 ## Starting information for simulation # 18 211 18 4214 3 2.73 2.9420 10.481 211 18 4255 3 2.80 2.7357 10.323 211 18 4259 3 2.90 2.6658 10.528 211 18 4287 3 2.77 2.7720 10.684 211 18 5140 3 2.64 2.9133 9.909 211 18 5142 3 2.92 3.1132 10.294 211 18 5651 3 2.81 3.1326 10.246 211 18 5777 3 2.90 2.7468 10.029 211 18 5826 3 2.87 2.7200 10.119 211 18 5920 3 2.81 2.7058 10.190 211 18 5921 3 2.80 3.0546 10.077 211 18 5949 3 2.75 2.9519 9.612 211 18 5995 3 2.90 2.9609 10.313 211 18 6361 3 2.98 2.8871 9.622 ## Starting information for simulation # 19 211 19 3867 3 2.89 2.0344 10.368 211 19 3922 3 2.84 2.9336 12.109 211 19 3928 3 2.93 2.9604 9.945 211 19 4299 3 2.88 2.8417 9.971 211 19 4590 3 2.79 2.6327 10.120 211 19 4618 3 2.91 2.6703 9.421 211 19 4621 3 2.95 2.6526 9.435 211 19 4733 3 2.93 2.6276 10.625 211 19 4761 3 2.94 2.8170 11.145 211 19 4809 3 2.95 2.8338 11.163 211 19 4838 3 2.90 2.6789 11.119 211 19 5126 3 2.86 3.1292 9.913 211 19 5151 3 3.00 2.9288 9.914 211 19 5427 3 2.87 2.5908 11.090 211 19 5482 3 2.82 2.9405 9.466 211 19 5500 3 2.82 2.7923 9.427 211 19 5536 3 2.78 3.0017 10.165 211 19 5599 3 2.85 3.0392 11.043 211 19 5631 3 2.84 2.5933 10.154 211 19 5676 3 2.93 1.9376 10.429 211 19 5688 3 2.85 2.8181 9.930 211 19 5691 3 2.96 3.0090 10.705 211 19 5806 3 2.95 2.8961 10.751 211 19 5836 3 2.70 2.9948 10.392 211 19 5962 3 2.88 2.6380 10.402 211 19 6032 3 2.83 3.0105 9.816 211 19 6080 3 3.00 2.7839 9.759 211 19 6146 3 2.97 2.1010 10.568 211 19 6182 3 2.87 2.9600 9.593 211 19 6197 3 2.93 2.9363 10.256 211 19 6233 3 2.80 2.8511 11.033 211 19 6327 3 2.76 2.7434 10.862 211 19 6835 3 2.99 2.0707 9.359 ## Starting information for simulation # 20 211 20 11207 3 2.80 2.8656 8.287 ## Starting information for simulation # 21 211 21 382 3 2.93 2.9913 11.297 211 21 491 3 2.84 3.1210 9.440 211 21 666 3 2.88 2.9279 9.087 211 21 800 3 2.71 3.0294 10.431 211 21 1044 3 2.92 2.8658 9.210 211 21 1076 3 2.89 2.7285 8.699 211 21 1346 3 2.82 2.9522 9.335 211 21 1353 3 2.89 2.6816 9.459 211 21 1738 3 2.99 2.5755 8.423 211 21 2683 3 2.94 2.7140 9.869 211 21 2708 3 2.97 2.6493 10.661 211 21 3215 3 2.84 2.9135 12.208 211 21 3646 3 3.00 2.3735 11.115 211 21 3826 3 2.83 2.8684 10.790 211 21 3936 3 2.95 2.5239 10.206 211 21 3970 3 2.90 2.5520 11.444 211 21 4022 3 2.97 1.8949 9.782 211 21 4077 3 2.77 2.8854 8.476 211 21 4096 3 2.82 2.8460 7.275 211 21 4185 3 2.63 2.8368 8.754 211 21 4205 3 2.75 3.0370 9.352 211 21 4647 3 2.97 2.8542 8.695 211 21 4658 3 2.87 3.0693 7.880 211 21 6692 3 2.78 2.9596 9.040 ## Starting information for simulation # 22 211 22 3185 3 2.91 2.7863 7.427 211 22 3208 3 2.76 2.5960 8.182 211 22 5907 3 2.73 2.5943 8.362 211 22 5909 3 2.89 2.5242 8.045 211 22 6341 3 2.74 2.5329 7.425 211 22 6840 3 2.90 2.7428 6.778 211 22 6904 3 2.80 2.7089 6.988 211 22 6905 3 2.82 2.7025 6.802 211 22 6917 3 2.86 2.4243 7.662 211 22 6986 3 2.92 1.8811 7.845 211 22 6990 3 2.94 2.9735 8.047 ## Starting information for simulation # 23 211 23 2347 3 2.93 2.4271 7.798 211 23 3133 3 2.72 2.7352 7.718 211 23 3138 3 2.91 2.4882 7.600 211 23 3209 3 2.97 2.6020 7.882 211 23 3326 3 2.71 2.9633 7.978 211 23 4436 3 2.72 2.9216 7.379 ## Starting information for simulation # 24 211 24 3331 3 2.85 2.7995 4.843 211 24 6626 3 2.95 2.6047 7.039 211 24 6746 3 2.62 2.5586 6.954 211 24 6753 3 2.92 2.8400 6.893 211 24 6754 3 2.96 2.7689 6.931 ## Starting information for simulation # 25 211 25 9364 3 2.99 2.3935 5.014 211 25 9439 3 2.99 2.6471 5.257 211 25 9476 3 2.95 2.9191 5.202 211 25 10228 3 2.99 2.6834 5.057 211 25 10734 3 2.92 2.4939 4.685 ## Starting information for simulation # 26 211 26 289 3 2.83 2.8598 7.813 211 26 300 3 2.78 2.5093 9.717 211 26 307 3 2.90 2.1300 7.160 211 26 322 3 2.81 2.6605 8.130 211 26 330 3 2.82 3.0189 7.581 211 26 335 3 2.97 2.8501 7.948 211 26 336 3 2.87 2.8266 7.858 211 26 448 3 2.76 2.9442 9.405 211 26 565 3 2.79 2.6199 7.832 211 26 572 3 2.82 2.6054 7.974 211 26 594 3 2.82 2.8701 8.006 211 26 601 3 2.92 3.0193 8.198 211 26 609 3 2.99 2.9045 7.974 211 26 690 3 2.84 3.0515 7.699 211 26 691 3 2.87 2.3180 8.521 211 26 736 3 2.68 2.7292 8.073 211 26 740 3 2.78 2.6842 7.803 211 26 811 3 2.95 2.4722 7.851 211 26 824 3 2.90 2.5491 7.788 211 26 1477 3 2.97 2.6810 7.937 211 26 1537 3 2.97 2.4182 7.646 211 26 1764 3 2.92 2.5834 7.463 211 26 1857 3 2.74 2.6212 7.927 211 26 2919 3 2.99 2.6388 7.704 211 26 8575 3 2.84 2.6560 6.930 ## Starting information for simulation # 27 ## Starting information for simulation # 28 ## Starting information for simulation # 29 ## Starting information for simulation # 30 211 30 9082 3 2.87 2.1336 9.140 211 30 9095 3 2.73 2.5181 7.505 ## Starting information for simulation # 31 211 31 9020 3 2.71 2.7915 6.722 ## Starting information for simulation # 32 211 32 1471 3 2.88 2.4806 7.684 211 32 1472 3 2.79 2.5465 8.284 211 32 1477 3 2.62 2.7411 8.651 211 32 1479 3 2.69 2.8670 8.510 211 32 1524 3 2.85 2.6910 8.016 211 32 1541 3 2.90 2.7720 8.092 211 32 1591 3 2.92 2.7801 7.605 211 32 1614 3 2.89 2.7374 7.792 211 32 8175 3 2.96 2.8538 5.145 211 32 8930 3 2.86 2.8071 6.610 211 32 8932 3 2.90 2.7787 6.839 211 32 8933 3 2.82 2.6841 6.338 211 32 8962 3 2.97 1.9403 6.519 211 32 8975 3 2.99 2.8711 7.253 ## Starting information for simulation # 33 211 33 2758 3 2.97 2.6804 5.640 211 33 2759 3 2.64 2.5514 6.383 211 33 3150 3 2.71 2.5627 8.686 211 33 3151 3 2.87 2.4065 8.190 211 33 7018 3 2.89 2.9833 7.216 211 33 7077 3 2.95 2.7057 7.872 211 33 7123 3 2.89 2.7268 8.386 211 33 7165 3 2.99 2.5819 7.555 211 33 7166 3 2.87 3.0044 7.368 211 33 7167 3 2.99 1.8531 8.112 211 33 7168 3 2.90 2.8718 7.278 211 33 7169 3 2.87 2.7283 7.825 ## Starting information for simulation # 34 ## Starting information for simulation # 35 211 35 2034 3 2.99 2.8448 7.372 ## Starting information for simulation # 36 211 36 4391 3 2.89 2.7946 7.079 211 36 10489 3 2.77 2.7314 7.186 211 36 10495 3 2.79 2.8421 7.428 211 36 10496 3 2.89 2.9974 7.749 211 36 10627 3 2.78 2.8515 7.258 ## Starting information for simulation # 37 ## Starting information for simulation # 38 211 38 700 3 2.96 2.7133 7.874 211 38 701 3 2.71 2.5653 7.914 211 38 712 3 2.89 2.6216 8.231 211 38 720 3 2.79 2.8890 8.094 211 38 721 3 2.89 3.0776 8.207 211 38 731 3 2.88 2.4226 7.567 211 38 750 3 2.95 2.4720 8.043 211 38 751 3 2.75 2.8395 8.223 211 38 752 3 2.89 2.8496 8.005 211 38 753 3 2.99 2.9445 8.253 211 38 6331 3 2.85 2.3204 5.655 ## Starting information for simulation # 39 ## Starting information for simulation # 40 ## Starting information for simulation # 41 211 41 9741 3 2.66 2.3852 6.767 211 41 9742 3 2.62 2.8198 7.183 211 41 9750 3 2.89 2.7057 7.892 ## Starting information for simulation # 42 ## Starting information for simulation # 43 211 43 7910 3 2.76 2.5728 8.424 211 43 7926 3 2.94 2.8504 8.003 211 43 8089 3 2.75 2.8573 7.830 211 43 8375 3 2.92 2.6765 8.271 211 43 8400 3 2.92 2.6278 7.936 ## Starting information for simulation # 44 ## Starting information for simulation # 45 211 45 485 3 2.80 2.8634 9.874 211 45 492 3 2.83 2.9858 10.439 211 45 495 3 2.81 2.7992 9.348 211 45 510 3 2.88 2.4361 10.876 211 45 553 3 2.96 3.0437 9.910 211 45 3205 3 2.98 2.8781 7.633 211 45 3207 3 2.96 1.9263 7.798 211 45 3223 3 2.96 2.6520 9.370 211 45 3259 3 2.64 2.5723 9.739 211 45 3414 3 3.00 2.5904 10.566 211 45 3702 3 3.00 2.8597 10.337 ## Starting information for simulation # 46 211 46 847 3 2.85 2.6304 9.112 211 46 888 3 2.96 2.7558 7.300 211 46 1888 3 2.98 2.5132 7.005 211 46 6425 3 2.79 2.4184 6.739 ## Starting information for simulation # 47 ## Starting information for simulation # 48