# Bonding information for index 540 -- LYS_8@O 0MA_13@H3O 0MA_13@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 540 1 3382 2 2.58 2.9971 8.660 540 1 3383 2 2.70 2.9962 8.657 540 1 3384 2 2.79 2.7041 9.551 540 1 3385 2 2.81 2.6758 9.148 540 1 3386 2 2.63 2.8831 9.139 540 1 3387 2 2.80 3.0835 8.784 540 1 3388 2 2.93 3.0042 8.895 540 1 3389 2 2.59 3.0581 8.619 540 1 3390 2 2.69 2.8480 8.813 540 1 3391 2 2.69 2.8432 8.936 540 1 3392 2 2.74 2.7726 8.950 540 1 3393 2 2.76 2.8856 8.834 540 1 3394 2 2.65 2.8330 8.554 540 1 3395 2 2.75 2.8252 8.522 540 1 3396 2 2.66 2.6605 8.886 540 1 3397 2 2.73 2.6553 8.844 540 1 3398 2 2.77 2.9812 8.748 540 1 3400 2 2.83 2.9532 8.593 540 1 3401 2 2.82 2.7424 8.785 540 1 3402 2 2.93 2.9598 8.948 540 1 3403 2 2.93 2.8905 8.937 540 1 3404 2 2.92 3.0488 8.625 540 1 3405 2 2.71 2.8010 9.182 540 1 3406 2 2.84 3.1180 9.075 540 1 3408 2 2.79 2.8494 8.851 540 1 3409 2 2.66 3.0552 8.534 540 1 3410 2 2.65 2.7440 8.486 540 1 3411 2 2.65 3.0641 8.664 540 1 3412 2 2.61 2.8165 8.711 540 1 3413 2 2.68 2.7473 8.581 540 1 3414 2 2.64 2.9864 8.998 540 1 3415 2 2.68 3.1129 9.036 540 1 3416 2 2.74 2.9124 8.789 540 1 3417 2 2.68 2.9346 8.974 540 1 3418 2 2.65 2.4628 8.483 540 1 3419 2 2.77 2.8773 8.317 540 1 3420 2 2.68 2.7253 8.607 540 1 3421 2 2.77 2.6633 8.829 540 1 3422 2 2.62 3.1094 9.004 540 1 3423 2 2.68 2.8300 8.593 540 1 3424 2 2.60 3.0016 9.043 540 1 3425 2 2.56 2.6921 8.698 540 1 3426 2 2.73 2.8593 8.632 540 1 3427 2 2.73 2.6538 8.906 540 1 3428 2 2.67 3.0196 8.846 540 1 3429 2 2.79 2.9217 8.662 540 1 3430 2 2.82 2.8656 8.776 540 1 3431 2 2.96 2.5936 8.958 540 1 3432 2 2.61 2.7116 8.812 540 1 3434 2 2.85 2.8603 8.730 540 1 3435 2 2.78 2.7382 8.434 540 1 3436 2 2.80 2.7642 8.746 540 1 3437 2 2.72 2.9721 8.688 540 1 3438 2 2.68 2.9066 8.618 540 1 3439 2 2.71 2.9999 8.598 540 1 3440 2 2.69 2.7105 8.395 540 1 3441 2 2.75 2.9320 9.009 540 1 3442 2 2.99 3.0095 8.675 540 1 3443 2 2.57 2.9942 8.896 540 1 3444 2 2.90 2.7510 8.661 540 1 3445 2 2.86 2.9136 8.876 540 1 3446 2 2.76 2.7368 9.384 540 1 3447 2 2.50 2.9282 8.894 540 1 3448 2 2.65 2.8456 8.723 540 1 3449 2 2.72 3.0040 8.700 540 1 3451 2 2.62 3.1358 8.643 540 1 3452 2 2.74 2.8184 8.791 540 1 3453 2 2.71 3.0332 8.821 540 1 3454 2 2.68 2.8024 9.053 540 1 3455 2 2.67 2.8654 9.049 540 1 3456 2 2.71 3.0351 8.676 540 1 3457 2 2.64 2.8956 8.895 540 1 3458 2 2.66 2.9211 8.773 540 1 3459 2 2.68 3.0591 8.804 540 1 3460 2 2.54 2.6227 8.592 540 1 3461 2 2.78 3.0059 8.836 540 1 3462 2 2.54 2.7031 8.669 540 1 3463 2 2.68 2.9391 8.737 540 1 3464 2 2.50 3.1171 9.084 540 1 3465 2 2.46 2.8030 8.751 540 1 3466 2 2.84 2.7778 8.773 540 1 3467 2 2.59 2.6289 8.695 540 1 3468 2 2.73 2.4425 9.089 540 1 3469 2 2.65 2.8823 8.667 540 1 3470 2 2.59 2.7784 8.948 540 1 3471 2 2.53 2.5339 9.001 540 1 3472 2 2.60 2.7962 9.352 540 1 3473 2 2.64 2.9064 8.779 540 1 3474 2 2.67 3.0891 8.671 540 1 3475 2 2.56 2.9998 8.748 540 1 3476 2 2.54 2.9825 8.901 540 1 3477 2 2.53 2.9414 9.062 540 1 3478 2 2.54 2.8842 8.861 540 1 3479 2 2.63 3.0063 8.878 540 1 3480 2 2.76 2.7933 8.540 540 1 3481 2 2.86 2.9636 9.086 540 1 3482 2 2.67 2.9930 8.752 540 1 3483 2 2.68 2.9734 8.640 540 1 3484 2 2.77 2.7465 8.800 540 1 3485 2 2.73 2.8715 8.572 540 1 3486 2 2.59 2.9364 8.726 540 1 3487 2 2.67 3.1109 8.847 540 1 3488 2 2.65 2.9264 8.897 540 1 3489 2 2.66 2.9057 8.734 540 1 3490 2 2.87 2.8451 8.803 540 1 3491 2 2.76 2.6527 8.531 540 1 3492 2 2.64 2.8529 8.824 540 1 3493 2 2.62 2.7196 8.628 540 1 3494 2 2.70 2.7198 8.916 540 1 3495 2 2.90 2.8358 8.994 540 1 3497 2 2.81 2.7183 8.732 540 1 3498 2 2.68 2.7089 8.851 540 1 3499 2 2.65 2.8748 8.296 540 1 3500 2 2.71 2.9105 8.818 540 1 3501 2 2.60 2.7919 8.939 540 1 3502 2 2.80 3.0715 8.564 540 1 3503 2 2.69 2.3653 8.368 540 1 3504 2 2.60 2.6963 9.163 540 1 3505 2 2.61 2.9310 8.777 540 1 3506 2 2.70 2.8493 9.072 540 1 3507 2 2.77 2.9390 8.878 540 1 3508 2 2.76 2.9418 8.650 540 1 3509 2 2.68 2.7062 8.572 540 1 3510 2 2.76 2.7729 8.693 540 1 3511 2 2.62 2.9317 9.000 540 1 3512 2 2.76 2.6488 8.804 540 1 3513 2 2.65 2.6273 8.802 540 1 3514 2 2.60 2.8540 8.398 540 1 3515 2 2.77 2.6340 9.087 540 1 3516 2 2.60 2.8723 9.030 540 1 3517 2 2.81 3.0425 8.802 540 1 3518 2 2.55 2.9663 9.312 540 1 3519 2 2.62 2.7234 8.450 540 1 3520 2 2.57 2.7404 8.717 540 1 3521 2 2.69 2.5504 9.092 540 1 3522 2 2.79 2.9630 9.109 540 1 3523 2 2.93 3.0220 9.035 540 1 3524 2 2.54 2.9835 8.894 540 1 3525 2 2.55 2.8311 8.911 540 1 3526 2 2.71 3.1014 8.820 540 1 3527 2 2.68 2.9234 9.112 540 1 3528 2 2.74 2.8664 8.765 540 1 3529 2 2.59 2.7627 8.828 540 1 3530 2 2.53 2.9015 8.929 540 1 3531 2 2.60 2.9112 8.902 540 1 3532 2 2.80 2.2784 8.971 540 1 3533 2 2.59 3.0941 8.840 540 1 3534 2 2.80 2.6598 9.084 540 1 3536 2 2.63 2.8261 8.978 540 1 3537 2 2.54 2.7614 8.807 540 1 3538 2 2.70 2.9816 8.997 540 1 3539 2 2.73 2.7150 8.827 540 1 3540 2 2.67 2.9290 9.137 540 1 3541 2 2.59 2.7160 8.956 540 1 3542 2 2.75 2.9096 9.080 540 1 3543 2 2.68 2.8762 9.141 540 1 3544 2 2.87 3.0159 8.879 540 1 3545 2 2.91 3.0653 8.725 540 1 3547 2 2.62 2.9612 9.124 540 1 3548 2 2.81 3.0455 9.055 540 1 3549 2 2.68 2.6867 9.092 540 1 3550 2 2.58 2.9360 8.999 540 1 3551 2 2.77 2.6543 8.902 540 1 3552 2 2.72 2.8849 9.104 540 1 3553 2 2.79 3.0599 8.933 540 1 3554 2 2.61 2.6764 8.865 540 1 3555 2 2.65 3.0460 8.803 540 1 3556 2 2.73 2.9973 8.846 540 1 3557 2 2.85 2.7958 8.850 540 1 3558 2 2.95 2.6381 8.561 540 1 3559 2 2.51 2.7727 8.754 540 1 3560 2 2.69 2.6812 8.905 540 1 3561 2 2.60 2.8378 8.870 540 1 3562 2 2.66 2.9873 8.940 540 1 3563 2 2.77 2.5996 8.998 540 1 3564 2 2.71 2.9686 9.070 540 1 3565 2 2.91 2.4483 8.980 540 1 3566 2 2.71 2.6526 8.571 540 1 3567 2 2.82 3.0454 8.787 540 1 3568 2 2.73 2.9541 8.669 540 1 3569 2 2.68 2.7769 8.653 540 1 3570 2 2.75 3.1006 8.796 540 1 3571 2 2.58 3.0055 8.920 540 1 3572 2 2.65 2.7136 8.394 540 1 3573 2 2.58 3.0413 8.671 540 1 3574 2 2.71 2.5705 8.937 540 1 3575 2 2.74 3.0548 8.855 540 1 3576 2 2.77 2.8030 8.844 540 1 3577 2 2.72 2.8921 8.860 540 1 3578 2 2.57 3.0881 8.719 540 1 3579 2 2.84 2.8856 8.908 540 1 3581 2 2.61 2.6292 8.437 540 1 3583 2 2.75 2.9105 8.455 540 1 3584 2 2.58 2.7080 8.915 540 1 3585 2 2.89 3.0571 9.028 540 1 3586 2 2.61 2.8156 8.780 540 1 3587 2 2.80 2.6156 8.899 540 1 3588 2 2.70 2.9902 8.899 540 1 3589 2 2.65 2.6933 8.979 540 1 3590 2 2.59 2.8359 8.885 540 1 3592 2 2.89 2.7362 8.984 540 1 3593 2 2.88 2.8276 8.585 540 1 3594 2 2.73 2.9133 8.609 540 1 3595 2 2.68 2.7850 8.742 540 1 3596 2 2.82 2.7294 8.597 540 1 3597 2 2.90 2.9099 8.943 540 1 3598 2 2.62 2.8679 8.563 540 1 3599 2 2.66 3.0201 8.733 540 1 3600 2 2.78 2.8408 8.997 540 1 3601 2 2.65 2.5672 8.613 540 1 3602 2 2.53 3.0830 8.848 540 1 3603 2 2.74 2.8618 8.366 540 1 3604 2 2.69 2.6074 9.057 540 1 3605 2 2.72 2.8699 8.787 540 1 3606 2 2.73 2.7580 8.528 540 1 3607 2 2.72 3.0142 9.190 540 1 3608 2 2.66 3.0054 8.958 540 1 3609 2 2.84 2.8218 8.697 540 1 3610 2 2.64 3.1295 8.800 540 1 3611 2 2.55 2.9925 8.723 ## 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 # 7 540 7 1396 2 2.77 2.6321 9.191 540 7 1440 2 2.80 1.8610 9.238 540 7 1441 2 2.65 2.7148 9.227 540 7 1442 2 2.88 2.6022 9.561 540 7 1443 2 2.71 2.1321 9.323 540 7 1444 2 2.91 3.0377 9.256 540 7 1447 2 2.74 2.9085 8.568 540 7 1448 2 2.83 2.6665 9.309 540 7 1476 2 2.89 2.8124 9.442 540 7 1481 2 2.70 2.6635 9.343 540 7 1493 2 2.79 2.9651 9.759 540 7 1502 2 2.65 2.7615 10.186 540 7 1573 2 2.96 2.1642 9.543 540 7 1643 2 2.90 2.9361 9.248 540 7 1644 2 2.72 2.1540 9.091 540 7 1654 2 2.73 1.8069 9.273 540 7 1670 2 2.97 2.6013 9.348 540 7 1671 2 2.83 2.8674 8.698 540 7 1672 2 2.82 2.7718 9.715 540 7 1673 2 2.73 2.6603 9.141 540 7 1674 2 2.62 2.7664 8.833 540 7 1675 2 2.78 2.9690 9.089 540 7 1676 2 2.76 3.0588 8.622 540 7 1677 2 2.70 2.9806 8.977 540 7 1678 2 2.82 2.6027 9.306 540 7 1679 2 2.62 2.7188 9.208 540 7 1680 2 2.77 2.5919 9.022 540 7 1692 2 2.63 2.8905 9.095 540 7 1750 2 2.92 2.6003 9.663 540 7 1751 2 2.89 1.7819 9.800 540 7 1753 2 2.98 2.8280 9.504 540 7 1754 2 2.74 2.7631 9.543 540 7 1755 2 2.97 2.8864 9.858 540 7 1756 2 2.92 2.6815 10.430 540 7 1758 2 2.83 2.5703 10.566 540 7 1759 2 2.75 2.6192 9.207 540 7 1760 2 2.76 2.6116 9.724 540 7 1761 2 2.83 2.6954 9.897 540 7 1762 2 2.69 2.7045 10.357 540 7 2221 2 2.79 1.8836 8.822 ## Starting information for simulation # 8 ## 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 # 17 540 17 3575 2 2.91 2.6984 12.679 540 17 3577 2 2.74 2.6048 12.272 540 17 3863 2 2.83 2.6984 12.468 540 17 3865 2 2.62 2.5021 11.624 540 17 3866 2 2.77 2.6625 12.165 540 17 3867 2 2.88 2.7275 12.446 540 17 3869 2 2.62 2.3638 11.827 540 17 3870 2 2.74 2.8174 12.395 540 17 3871 2 2.89 2.8084 11.937 540 17 3872 2 2.81 2.6839 12.010 540 17 3873 2 2.90 2.9294 11.991 540 17 3874 2 2.89 2.9895 11.800 540 17 3875 2 2.71 2.5961 12.315 540 17 3876 2 2.65 2.9058 11.980 540 17 3878 2 2.65 2.8084 11.781 540 17 3879 2 2.79 2.8093 12.306 540 17 3880 2 2.70 2.6553 13.018 540 17 3882 2 2.84 2.5881 12.626 540 17 3883 2 2.97 2.9569 12.664 540 17 3884 2 2.68 2.6631 12.600 540 17 3885 2 2.66 2.8848 12.193 540 17 3888 2 2.95 2.3597 12.212 540 17 3889 2 2.66 2.8193 12.447 540 17 3890 2 2.84 2.5240 12.329 540 17 3891 2 2.96 2.6207 12.626 540 17 3893 2 2.76 2.6109 12.305 540 17 3895 2 2.98 2.9206 12.430 540 17 3920 2 2.87 2.4225 12.277 540 17 3921 2 2.66 2.6805 11.931 540 17 3922 2 2.89 2.5554 12.390 540 17 3923 2 2.84 2.8994 12.558 540 17 3924 2 2.89 2.7336 12.756 540 17 3925 2 2.66 2.7724 12.591 540 17 3926 2 2.75 2.8346 12.309 540 17 3927 2 2.80 2.6664 12.305 540 17 3928 2 2.63 3.0834 12.625 540 17 3929 2 2.80 2.1246 12.560 540 17 3930 2 2.92 2.0516 12.913 540 17 3931 2 2.70 2.7456 12.116 540 17 3932 2 2.76 2.6341 12.473 540 17 3935 2 2.64 2.5446 12.029 540 17 3936 2 2.84 2.1939 12.204 540 17 3937 2 2.90 2.9076 12.321 540 17 3938 2 2.95 2.6560 12.674 540 17 3942 2 2.83 2.5003 12.739 540 17 3943 2 2.64 2.9714 12.275 540 17 3944 2 2.89 2.7104 12.778 540 17 3945 2 2.76 2.5231 12.790 540 17 3946 2 2.55 2.8584 12.676 540 17 3947 2 2.61 2.9980 12.247 540 17 3948 2 2.90 2.5848 12.508 540 17 3951 2 2.88 2.7482 12.695 540 17 3952 2 2.79 2.8348 12.308 540 17 3953 2 2.75 2.7855 12.410 540 17 3954 2 2.72 2.9764 13.095 540 17 5480 2 2.70 3.0690 12.707 540 17 5501 2 2.72 2.2987 13.030 540 17 5511 2 2.56 2.8342 12.457 540 17 5512 2 2.65 2.9316 12.556 540 17 5514 2 2.66 2.6880 12.075 540 17 5516 2 2.92 2.3995 12.301 540 17 5543 2 2.69 2.9732 12.375 540 17 5544 2 2.54 2.5840 13.029 540 17 5545 2 2.80 1.9326 12.631 540 17 5546 2 2.66 2.6953 13.052 540 17 5548 2 2.85 2.8644 12.431 540 17 5549 2 2.68 2.6408 11.739 540 17 5551 2 2.72 2.9762 12.332 540 17 5552 2 2.62 2.6891 12.319 540 17 5553 2 2.72 2.9589 12.454 540 17 5555 2 2.72 2.9696 12.961 540 17 5556 2 2.79 2.5301 12.968 540 17 5557 2 2.71 2.6660 12.828 540 17 5558 2 2.99 2.9347 12.888 540 17 5560 2 2.82 3.0616 12.405 540 17 5562 2 2.64 2.7802 12.494 540 17 5563 2 2.87 2.9898 12.156 540 17 5564 2 2.69 2.5360 12.347 540 17 5565 2 2.65 2.7873 12.221 540 17 5566 2 2.71 2.7886 12.673 540 17 5567 2 2.69 2.6663 12.543 540 17 5568 2 2.92 2.6753 12.394 540 17 5569 2 2.61 2.8037 12.680 540 17 5576 2 2.82 2.7366 12.414 540 17 5586 2 2.57 2.6822 11.783 540 17 5627 2 2.99 2.0092 12.001 540 17 5638 2 2.71 2.3047 11.407 540 17 5639 2 2.84 2.5707 11.081 540 17 5640 2 2.69 2.9254 12.105 540 17 5802 2 2.98 2.7101 11.797 540 17 5836 2 2.95 2.4340 11.251 540 17 5837 2 2.80 3.0116 11.882 540 17 5838 2 2.74 2.7456 11.511 540 17 5843 2 2.98 1.9319 11.449 540 17 5858 2 2.82 2.7358 11.510 540 17 5860 2 2.80 2.9107 10.926 540 17 5863 2 2.89 2.8099 11.158 540 17 5864 2 2.78 2.6394 11.343 540 17 5866 2 2.63 2.7225 11.786 540 17 5868 2 2.98 1.7518 11.620 540 17 5870 2 2.91 2.6962 12.111 540 17 5871 2 2.69 2.5822 11.470 540 17 5874 2 2.75 2.5336 11.253 540 17 5875 2 2.88 2.5255 11.385 540 17 5879 2 2.73 2.9790 11.463 540 17 5880 2 2.92 2.9505 11.532 540 17 5881 2 2.69 2.8381 11.410 540 17 5882 2 2.72 2.8349 11.396 540 17 6009 2 2.59 2.9736 10.921 540 17 6010 2 2.87 2.9093 10.960 540 17 6011 2 2.72 2.8278 10.970 540 17 6022 2 2.93 2.6079 11.821 540 17 6023 2 2.60 2.8748 11.514 540 17 6025 2 2.69 2.1852 11.956 540 17 6028 2 2.84 2.7935 11.493 540 17 6040 2 2.88 1.9593 11.660 540 17 6042 2 2.91 2.5822 11.730 540 17 6043 2 2.80 2.9513 11.143 540 17 6061 2 2.88 1.9952 11.488 540 17 6063 2 2.57 2.7527 10.950 540 17 6064 2 2.97 2.6393 11.050 540 17 6066 2 2.76 2.6523 11.681 540 17 6067 2 2.91 2.6857 11.798 540 17 6069 2 2.88 2.2587 11.447 540 17 6070 2 2.63 2.6902 10.966 540 17 6071 2 2.93 2.7901 11.096 540 17 6072 2 2.89 2.7398 11.023 ## Starting information for simulation # 18 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 540 22 69 2 2.64 2.9953 12.001 540 22 72 2 2.92 2.7552 12.379 540 22 73 2 2.85 2.8284 12.084 540 22 74 2 2.69 2.7608 12.251 540 22 75 2 2.58 2.9575 12.008 540 22 76 2 2.76 3.1067 11.676 540 22 78 2 2.73 3.0945 12.236 540 22 80 2 2.67 2.7751 12.354 540 22 81 2 2.54 2.9069 12.108 540 22 82 2 2.75 3.0065 12.156 540 22 83 2 2.59 2.9174 11.736 540 22 84 2 2.68 2.6148 12.494 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 540 28 1454 2 2.81 2.8836 11.736 540 28 1455 2 2.76 2.9110 11.795 540 28 8963 2 2.87 2.9087 11.423 540 28 8966 2 2.97 2.4681 11.344 540 28 8967 2 2.73 2.9144 11.653 540 28 8968 2 2.70 2.8351 11.547 540 28 8969 2 2.80 2.9240 11.587 540 28 8972 2 2.77 3.0514 11.174 ## Starting information for simulation # 29 540 29 6089 2 2.94 2.6153 12.172 540 29 6090 2 2.97 2.4208 12.068 540 29 6091 2 2.83 2.9780 12.043 540 29 6092 2 2.73 2.8162 12.006 540 29 6094 2 2.72 3.0332 11.970 ## 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 # 35 540 35 2768 2 2.83 2.8389 12.438 540 35 2769 2 2.78 3.0038 12.537 540 35 2770 2 2.70 2.8662 12.376 540 35 2778 2 2.74 2.9009 12.434 540 35 2779 2 2.77 2.5272 12.239 540 35 2780 2 2.84 2.6752 12.508 540 35 2781 2 2.61 2.9433 11.948 540 35 2783 2 2.89 2.7174 11.863 540 35 2784 2 2.74 2.9656 11.773 540 35 2785 2 2.86 2.8320 12.583 540 35 2786 2 2.82 2.5984 12.348 540 35 2787 2 2.75 2.9532 12.211 540 35 2789 2 2.82 3.0315 12.715 540 35 2791 2 2.70 2.8136 12.287 540 35 2792 2 2.61 2.5872 11.802 540 35 2795 2 2.87 2.8482 12.414 540 35 2796 2 2.70 2.9412 12.037 540 35 2797 2 2.63 3.0804 11.969 540 35 2799 2 2.66 3.0444 12.228 540 35 2800 2 2.91 2.7835 12.006 540 35 2802 2 2.74 2.6606 12.230 540 35 2803 2 2.75 2.6123 12.188 540 35 2804 2 2.81 2.9998 12.064 540 35 2805 2 2.62 3.0331 11.875 540 35 5915 2 2.80 2.7774 12.327 540 35 5918 2 2.75 2.8552 12.248 540 35 5923 2 2.83 2.8005 12.292 540 35 5924 2 2.89 2.8191 12.076 ## Starting information for simulation # 36