13.DAT CALCULATIONS OF SUGAR BOND LENGTHS B#/CHN RES C1*-C2* C2*-C3* C3*-C4* C4*-O4* O4*-C1* --------------------------------------------------------- 1a G 1.520 1.525 1.526 1.455 1.420 2a G 1.520 1.525 1.525 1.455 1.420 3a A 1.519* 1.525 1.525 1.455 1.421 4a G 1.521* 1.525 1.524 1.455 1.419 5a G 1.520 1.525 1.524 1.455 1.420 6a A 1.521* 1.525 1.524 1.455 1.420 7a G 1.520 1.524 1.525 1.454 1.420 8a A 1.520 1.524 1.525 1.456 1.420 9a A 1.520 1.525 1.525 1.455 1.420 10a G 1.520 1.525 1.526 1.455 1.420 11a A 1.519* 1.525 1.525 1.455 1.420 12a A 1.520 1.525 1.525 1.454 1.420 13a T 1.520 1.525 1.525 1.455 1.420 14a T 1.520 1.524 1.525 1.455 1.419 15a C 1.520 1.525 1.525 1.454 1.420 16a T 1.521* 1.524 1.524 1.456 1.419 17a T 1.520 1.525 1.525 1.455 1.420 18a C 1.520 1.525 1.525 1.454 1.421 19a T 1.520 1.525 1.525 1.454 1.420 20a C 1.520 1.525 1.525 1.455 1.420 21a C 1.520 1.525 1.525 1.455 1.420 22a T 1.520 1.525 1.525 1.455 1.420 23a C 1.520 1.526 1.525 1.455 1.420 24a C 1.520 1.525 1.525 1.455 1.419 --------------------------------------------------------- MEANS: 1.520 1.525 1.525 1.455 1.420 STAND DEV 0.000 0.001 0.001 0.000 0.000 SAMPLE SIZE 24 24 24 24 24 --------------------------------------------------------- 13.DAT CALCULATIONS OF SUGAR BOND LENGTHS B#/CHN RES C1*-C2* C2*-C3* C3*-C4* C4*-O4* O4*-C1* --------------------------------------------------------- ***** 1a G 2a G 3a A * 4a G * 5a G 6a A * 7a G 8a A 9a A 10a G 11a A * 12a A 13a T 14a T 15a C 16a T * 17a T 18a C 19a T 20a C 21a C 22a T 23a C 24a C --------------------------------------------------------- 13.DAT CALCULATIONS OF BACKBONE(6) AND CHI(3) BOND LENGTHS B#/CHN RES P-O5* O5*-C5* C5*-C4* C4*-C3* C3*-O3* O3*-P O4*-C1* C1*-N1/9 N1/9-C6/8 --------------------------------------------------------------------------------------------- 1a G 0.000 1.440 1.510 1.526 1.430 1.600 1.420 1.460 1.330 2a G 1.599 1.440 1.510 1.525 1.430 1.600 1.420 1.460 1.330 3a A 1.600 1.441 1.510 1.525 1.430 1.599* 1.421 1.460 1.360 4a G 1.600 1.440 1.510 1.524 1.431 1.600 1.419 1.460 1.330 5a G 1.600 1.441 1.510 1.524 1.430 1.600 1.420 1.459 1.330 6a A 1.600 1.440 1.510 1.524 1.430 1.601* 1.420 1.460 1.360 7a G 1.600 1.440 1.510 1.525 1.430 1.600 1.420 1.461 1.330 8a A 1.600 1.440 1.510 1.525 1.431 1.600 1.420 1.460 1.360 9a A 1.600 1.440 1.510 1.525 1.430 1.600 1.420 1.460 1.361 10a G 1.601 1.440 1.510 1.526 1.430 1.601* 1.420 1.460 1.330 11a A 1.599 1.440 1.510 1.525 1.430 1.600 1.420 1.459 1.360 12a A 1.600 1.439 1.510 1.525 1.430 0.000 1.420 1.460 1.361 13a T 0.000 1.440 1.510 1.525 1.429 1.600 1.420 1.460 1.366 14a T 1.600 1.440 1.510 1.525 1.431 1.600 1.419 1.461 1.366 15a C 1.600 1.440 1.510 1.525 1.430 1.601* 1.420 1.459 1.360 16a T 1.599 1.440 1.510 1.524 1.430 1.600 1.419 1.459 1.366 17a T 1.600 1.440 1.509 1.525 1.430 1.600 1.420 1.460 1.366 18a C 1.600 1.440 1.510 1.525 1.430 1.600 1.421 1.460 1.360 19a T 1.600 1.440 1.510 1.525 1.430 1.600 1.420 1.460 1.366 20a C 1.600 1.440 1.510 1.525 1.430 1.600 1.420 1.460 1.360 21a C 1.600 1.440 1.510 1.525 1.430 1.601* 1.420 1.460 1.360 22a T 1.600 1.440 1.510 1.525 1.431 1.599* 1.420 1.460 1.366 23a C 1.600 1.439 1.510 1.525 1.430 1.600 1.420 1.459 1.360 24a C 1.599 1.440 1.510 1.525 1.430 0.000 1.419 1.460 1.360 --------------------------------------------------------------------------------------------- MEANS: 1.600 1.440 1.510 1.525 1.430 1.600 1.420 1.460 1.354 STAND DEV 0.001 0.000 0.001 0.001 0.000 0.000 0.000 0.000 0.014 SAMPLE SIZE 22 24 24 24 24 22 24 24 24 --------------------------------------------------------------------------------------------- 13.DAT CALCULATIONS OF BACKBONE(6) AND CHI(3) BOND LENGTHS B#/CHN RES P-O5* O5*-C5* C5*-C4* C4*-C3* C3*-O3* O3*-P O4*-C1* C1*-N1/9 N1/9-C6/8 --------------------------------------------------------------------------------------------- ********* 1a G 2a G 3a A * 4a G 5a G 6a A * 7a G 8a A 9a A 10a G * 11a A 12a A 13a T 14a T 15a C * 16a T 17a T 18a C 19a T 20a C 21a C * 22a T * 23a C 24a C --------------------------------------------------------------------------------------------- 13.DAT CALCULATIONS OF PURINE BOND LENGTHS B#/CHN RES C1*-N9 N9-C8 C8-N7 N7-C5 C5-C4 C4-N3 N3-C2 C2-N1 N1-C6 C6-C5 C4-N9 --------------------------------------------------------------------------------------------------------------- 1a G 1.460 1.330 1.330 1.380 1.371 1.335 1.320 1.361 1.390 1.420 1.380 2a G 1.460 1.330 1.331* 1.380 1.369 1.335 1.320 1.360 1.391 1.420 1.381 3a A 1.460 1.360 1.330 1.380 1.379 1.351 1.299 1.370 1.360 1.409 1.388 4a G 1.460 1.330 1.330 1.380 1.370 1.335 1.320 1.360 1.390 1.419 1.380 5a G 1.459 1.330 1.330 1.380 1.369 1.335 1.320 1.360 1.390 1.420 1.381 6a A 1.460 1.360 1.330 1.380 1.379 1.350 1.300 1.370 1.360 1.408 1.388 7a G 1.461 1.330 1.329* 1.381 1.370 1.334 1.321 1.360 1.389 1.420 1.381 8a A 1.460 1.360 1.330 1.380 1.381 1.349 1.300 1.369 1.360 1.409 1.388 9a A 1.460 1.361 1.330 1.379 1.380 1.350 1.300 1.370 1.360 1.409 1.387 10a G 1.460 1.330 1.330 1.380 1.371 1.334 1.320 1.361 1.390 1.420 1.380 11a A 1.459 1.360 1.329* 1.379 1.380 1.350 1.299 1.370 1.360 1.409 1.388 12a A 1.460 1.361 1.330 1.381 1.380 1.350 1.300 1.370 1.360 1.408 1.388 --------------------------------------------------------------------------------------------------------------- MEANS: 1.460 1.345 1.330 1.380 1.375 1.342 1.310 1.365 1.375 1.414 1.384 STAND DEV 0.000 0.015 0.000 0.001 0.005 0.008 0.010 0.005 0.015 0.006 0.004 SAMPLE SIZE 12 12 12 12 12 12 12 12 12 12 12 --------------------------------------------------------------------------------------------------------------- 13.DAT CALCULATIONS OF PURINE BOND LENGTHS B#/CHN RES C1*-N9 N9-C8 C8-N7 N7-C5 C5-C4 C4-N3 N3-C2 C2-N1 N1-C6 C6-C5 C4-N9 --------------------------------------------------------------------------------------------------------------- *********** 1a G 2a G * 3a A 4a G 5a G 6a A 7a G * 8a A 9a A 10a G 11a A * 12a A --------------------------------------------------------------------------------------------------------------- 13.DAT CALCULATIONS OF PYRIMIDINE BOND LENGTHS B#/CHN RES C1*-N1 N1-C2 C2-N3 N3-C4 C4-C5 C5-C6 C6-N1 FOR PSU C1*-C5 C5-C4 C4-N3 N3-C2 C2-N1 N1-C6 C6-C5 --------------------------------------------------------------------------- 13a T 1.460 1.381 1.380 1.380 1.430 1.340 1.366 14a T 1.461 1.380 1.381 1.380 1.430 1.340 1.366 15a C 1.459 1.371 1.310 1.370 1.431 1.350 1.360 16a T 1.459 1.381 1.380 1.380 1.430 1.339 1.366 17a T 1.460 1.381 1.380 1.380 1.430 1.340 1.366 18a C 1.460 1.372 1.310 1.369 1.431 1.351 1.360 19a T 1.460 1.381 1.380 1.381 1.430 1.341 1.366 20a C 1.460 1.372 1.310 1.370 1.431 1.350 1.360 21a C 1.460 1.371 1.311 1.370 1.431 1.350 1.360 22a T 1.460 1.381 1.380 1.380 1.430 1.340 1.366 23a C 1.459 1.371 1.310 1.370 1.430 1.350 1.360 24a C 1.460 1.371 1.311 1.369 1.430 1.350 1.360 --------------------------------------------------------------------------- MEANS: 1.460 1.376 1.345 1.375 1.430 1.345 1.363 STAND DEV 0.000 0.005 0.035 0.005 0.001 0.005 0.003 SAMPLE SIZE 12 12 12 12 12 12 12 --------------------------------------------------------------------------- 13.DAT CALCULATIONS OF PYRIMIDINE BOND LENGTHS B#/CHN RES C1*-N1 N1-C2 C2-N3 N3-C4 C4-C5 C5-C6 C6-N1 FOR PSU C1*-C5 C5-C4 C4-N3 N3-C2 C2-N1 N1-C6 C6-C5 --------------------------------------------------------------------------- ******* 13a T 14a T 15a C 16a T 17a T 18a C 19a T 20a C 21a C 22a T 23a C 24a C --------------------------------------------------------------------------- 13.DAT CALCULATIONS OF SUGAR VALENCE ANGLES B#/CHN RES C1C2*C3 C2C3*C4 C3C4*O4 C4O4*C1 O4C1*C2 C5C4*O4 ------------------------------------------------------------------ 1a G 102.010 101.690* 105.076* 110.514 105.463* 109.218* 2a G 101.844 102.853 105.835 110.105 104.405 108.928 3a A 101.937 103.089 105.892 110.000 104.267 108.953 4a G 101.839 102.876 105.829 110.119 104.388 108.978 5a G 101.824 102.545 105.784 110.190 104.581 108.965 6a A 101.804 102.533 105.773 110.224 104.563 108.989 7a G 101.839 102.828 105.831 110.127 104.358 108.950 8a A 101.864 102.419 105.682 110.270 104.668 108.973 9a A 101.857 102.571 105.824 110.139 104.514 108.976 10a G 101.837 102.647 105.765 110.181 104.487 109.010 11a A 101.880 102.550 105.783 110.197 104.493 108.975 12a A 101.869 102.832 105.861 110.101 104.398 108.957 13a T 101.884 102.604 105.842 110.152 104.489 108.992 14a T 102.098 103.611 105.917 109.799 103.979 108.942 15a C 101.884 103.173 105.842 110.064 104.210 108.935 16a T 102.569* 104.086* 105.972 109.468* 103.700* 108.907 17a T 102.338* 103.852 105.940 109.679 103.790 108.919 18a C 101.848 102.484 105.687 110.312 104.584 109.046 19a T 102.085 103.592 105.901 109.867 103.928 108.919 20a C 101.868 102.960 105.794 110.101 104.332 108.963 21a C 101.842 102.771 105.832 110.124 104.448 108.940 22a T 101.962 103.390 105.887 109.918 104.141 108.953 23a C 101.839 102.482 105.783 110.202 104.584 108.976 24a C 101.834 102.423 105.672 110.294 104.665 109.034 ------------------------------------------------------------------ MEANS: 101.936 102.869 105.792 110.089 104.393 108.975 STAND DEV 0.175 0.522 0.165 0.222 0.342 0.051 SAMPLE SIZE 24 24 24 24 24 24 ------------------------------------------------------------------ 13.DAT CALCULATIONS OF SUGAR VALENCE ANGLES B#/CHN RES C1C2*C3 C2C3*C4 C3C4*O4 C4O4*C1 O4C1*C2 C5C4*O4 ------------------------------------------------------------------ ****** 1a G ** ** 2a G 3a A 4a G 5a G 6a A 7a G 8a A 9a A 10a G 11a A 12a A 13a T 14a T 15a C 16a T ** ** 17a T * 18a C 19a T 20a C 21a C 22a T 23a C 24a C ------------------------------------------------------------------ 13.DAT CALCULATIONS OF BACKBONE(6) AND CHI(2) VALENCE ANGLES B#/CHN RES O3*PO5* PO5*C5* O5C5*C4 C5C4*C3 C4C3*O3 C3*O3*P O4C1N1 O4C1N9 C1N1C6 C1N9C8 ------------------------------------------------------------------------------------------------------ 1a G 0.000 0.000 109.958 115.681* 109.135* 121.308 0.000 107.931* 0.000 127.080 2a G 101.388 121.215 110.024 115.467 108.889 121.314 0.000 108.232 0.000 127.090 3a A 101.419 121.217 109.998 115.461 108.831 121.323 0.000 108.251 0.000 128.499 4a G 101.440 121.180 109.976 115.432 108.858 121.294 0.000 108.216 0.000 127.073 5a G 101.401 121.193 109.994 115.505 108.957 121.310 0.000 108.166 0.000 127.115 6a A 101.362 121.214 109.986 115.526 108.971 121.295 0.000 108.236 0.000 128.510 7a G 101.365 121.194 109.987 115.481 108.896 121.333 0.000 108.215 0.000 127.134 8a A 101.382 121.187 109.993 115.528 108.935 121.242 0.000 108.144 0.000 128.508 9a A 101.392 121.201 109.973 115.495 108.919 121.241 0.000 108.184 0.000 128.501 10a G 101.387 121.200 109.989 115.492 108.921 121.292 0.000 108.191 0.000 127.100 11a A 101.414 121.231 110.023 115.455 108.918 121.275 0.000 108.199 0.000 128.549 12a A 101.378 121.211 110.026 115.394 108.841 0.000 0.000 108.226 0.000 128.531 13a T 0.000 0.000 110.000 115.441 108.921 121.303 108.212 0.000 120.357 0.000 14a T 101.388 121.246 110.019 115.434 108.695 121.297 108.313 0.000 120.410 0.000 15a C 101.373 121.209 110.015 115.450 108.827 121.320 108.297 0.000 119.512 0.000 16a T 101.371 121.232 109.998 115.435 108.592* 121.292 108.402 0.000 120.429 0.000 17a T 101.379 121.256 110.059 115.406 108.646* 121.320 108.396 0.000 120.401 0.000 18a C 101.427 121.169 109.967 115.495 108.977 121.304 108.167 0.000 119.503 0.000 19a T 101.369 121.221 110.039 115.412 108.721 121.305 108.311 0.000 120.407 0.000 20a C 101.418 121.183 110.006 115.478 108.839 121.294 108.260 0.000 119.506 0.000 21a C 101.417 121.208 110.006 115.469 108.852 121.269 108.269 0.000 119.428 0.000 22a T 101.448 121.205 110.030 115.399 108.765 121.342 108.306 0.000 120.418 0.000 23a C 101.401 121.217 110.035 115.494 108.955 121.284 108.198 0.000 119.505 0.000 24a C 101.401 121.212 110.037 115.471 108.968 0.000 108.142 0.000 119.479 0.000 ------------------------------------------------------------------------------------------------------ MEANS: 101.396 121.209 110.006 115.471 108.868 121.298 108.273 108.183 119.946 127.807 STAND DEV 0.000 0.000 0.000 0.072 0.102 0.053 0.081 0.072 0.458 0.711 SAMPLE SIZE 22 22 24 24 24 22 12 12 12 12 ------------------------------------------------------------------------------------------------------ 13.DAT CALCULATIONS OF BACKBONE(6) AND CHI(2) VALENCE ANGLES B#/CHN RES O3*PO5* PO5*C5* O5C5*C4 C5C4*C3 C4C3*O3 C3*O3*P O4C1N1 O4C1N9 C1N1C6 C1N9C8 ------------------------------------------------------------------------------------------------------ ********** 1a G ** * 2a G 3a A 4a G 5a G 6a A 7a G 8a A 9a A 10a G 11a A 12a A 13a T 14a T 15a C 16a T * 17a T * 18a C 19a T 20a C 21a C 22a T 23a C 24a C ------------------------------------------------------------------------------------------------------ 13.DAT CALCULATIONS OF PURINE VALENCE ANGLES B#/CHN RES C1*N9C8 C1*N9C4 N9C8N7 N9C4N3 C8N7C5 N7C5C4 N7C5C6 C4N3C2 N3C2N1 C2N1C6 N1C6C5 --------------------------------------------------------------------------------------------------------------- 1a G 127.080 124.975 110.003 124.970 107.994 106.984 133.614 112.947 123.269 125.618 110.807 2a G 127.090 124.971 109.974 124.943 107.984 107.012 133.562 112.898 123.347 125.573 110.790 3a A 128.499 125.085 113.089 126.924 104.007 111.217 132.084 110.669 129.141 118.594 117.092 4a G 127.073 124.997 109.940 124.923 108.053 106.954 133.629 112.954 123.271 125.590 110.814 5a G 127.115 124.995 110.026 124.941 107.969 107.014 133.576 112.910 123.333 125.593 110.797 6a A 128.510 125.080 113.126 126.891 103.986 111.205 132.104 110.694 129.066 118.593 117.119 7a G 127.134 124.921 110.014 124.956 107.991 107.013 133.601 112.907 123.272 125.618 110.808 8a A 128.508 125.017 113.127 126.989 103.986 111.208 132.128 110.724 129.065 118.660 117.079 9a A 128.501 125.092 113.115 126.919 103.996 111.228 132.121 110.701 129.101 118.567 117.153 10a G 127.100 124.977 109.993 124.967 108.008 106.984 133.597 112.953 123.299 125.587 110.802 11a A 128.549 125.054 113.141 126.971 104.022 111.194 132.157 110.714 129.136 118.555 117.163 12a A 128.531 125.049 113.133 126.950 103.989 111.187 132.103 110.684 129.126 118.558 117.144 --------------------------------------------------------------------------------------------------------------- MEANS: 127.807 125.018 111.557 125.945 105.999 109.100 132.856 111.813 126.202 122.092 113.964 STAND DEV 0.711 0.051 1.565 0.997 2.001 2.107 0.739 1.116 2.904 3.504 3.161 SAMPLE SIZE 12 12 12 12 12 12 12 12 12 12 12 --------------------------------------------------------------------------------------------------------------- 13.DAT CALCULATIONS OF PURINE VALENCE ANGLES B#/CHN RES C1*N9C8 C1*N9C4 N9C8N7 N9C4N3 C8N7C5 N7C5C4 N7C5C6 C4N3C2 N3C2N1 C2N1C6 N1C6C5 --------------------------------------------------------------------------------------------------------------- *********** 1a G 2a G 3a A 4a G 5a G 6a A 7a G 8a A 9a A 10a G 11a A 12a A --------------------------------------------------------------------------------------------------------------- 13.DAT CALCULATIONS OF PYRIMIDINE VALENCE ANGLES B#/CHN RES C1*N1C2 N1C2N3 C2N3C4 N3C4C5 C4C5C6 C5C6N1 C6N1C1* FOR PSU C1*C5C4 C5C4N3 C4N3C2 N3C2N1 C2N1C6 N1C6C5 C6C5C1* --------------------------------------------------------------------------- 13a T 118.744 115.115 126.126 115.669 118.526 123.665 59.643 14a T 118.728 115.147 126.054 115.738 118.468 123.731 59.590 15a C 120.547 121.931 118.920 121.390 116.352 121.466 60.488 16a T 118.741 115.121 126.151 115.648 118.542 123.708 59.571 17a T 118.741 115.134 126.078 115.722 118.498 123.710 59.599 18a C 120.464 121.851 118.937 121.422 116.353 121.404 60.497 19a T 118.663 115.101 126.096 115.691 118.540 123.642 59.593 20a C 120.518 121.919 118.900 121.387 116.401 121.418 60.494 21a C 120.520 121.860 118.924 121.390 116.409 121.364 60.572 22a T 118.750 115.153 126.117 115.677 118.498 123.722 59.582 23a C 120.527 121.905 118.911 121.380 116.425 121.411 60.495 24a C 120.511 121.888 118.920 121.392 116.414 121.376 60.521 --------------------------------------------------------------------------- MEANS: 119.621 118.510 122.511 118.542 117.452 122.551 60.054 STAND DEV 0.895 3.382 3.593 2.852 1.059 1.146 0.458 SAMPLE SIZE 12 12 12 12 12 12 12 --------------------------------------------------------------------------- 13.DAT CALCULATIONS OF PYRIMIDINE VALENCE ANGLES B#/CHN RES C1*N1C2 N1C2N3 C2N3C4 N3C4C5 C4C5C6 C5C6N1 C6N1C1* FOR PSU C1*C5C4 C5C4N3 C4N3C2 N3C2N1 C2N1C6 N1C6C5 C6C5C1* --------------------------------------------------------------------------- ******* 13a T 14a T 15a C 16a T 17a T 18a C 19a T 20a C 21a C 22a T 23a C 24a C --------------------------------------------------------------------------- 13.DAT CALCULATIONS OF SUGAR 1-4 BOND LENGTHS B#/CHN RES C2*-C4* O4*-C3* C1*-C4* C2*-O4* C3*-C1* C5*-C1* ------------------------------------------------------------------ 1a G 2.366* 2.366* 2.363 2.340* 2.366 3.374* 2a G 2.385 2.378 2.357 2.324 2.364 3.471 3a A 2.389 2.379 2.355 2.322 2.365 3.486 4a G 2.384 2.378 2.357 2.324 2.364 3.472 5a G 2.379 2.376 2.358 2.327 2.364 3.452 6a A 2.379 2.376 2.358 2.327 2.364 3.453 7a G 2.383 2.377 2.357 2.324 2.364 3.470 8a A 2.377 2.376 2.360 2.328 2.364 3.443 9a A 2.380 2.378 2.358 2.326 2.364 3.459 10a G 2.382 2.377 2.358 2.325 2.364 3.462 11a A 2.379 2.377 2.358 2.325 2.364 3.457 12a A 2.384 2.378 2.356 2.324 2.364 3.471 13a T 2.381 2.378 2.358 2.326 2.365 3.460 14a T 2.396 2.379 2.352 2.317 2.368 3.513 15a C 2.390 2.378 2.356 2.321 2.365 3.488 16a T 2.404* 2.380 2.347* 2.313* 2.376* 3.542* 17a T 2.401 2.380 2.350 2.314 2.372* 3.529 18a C 2.378 2.375 2.360 2.327 2.364 3.449 19a T 2.397 2.378 2.353 2.317 2.368 3.513 20a C 2.386 2.378 2.357 2.323 2.364 3.477 21a C 2.383 2.378 2.357 2.325 2.364 3.467 22a T 2.393 2.379 2.354 2.319 2.366 3.500 23a C 2.379 2.377 2.358 2.327 2.364 3.452 24a C 2.378 2.376 2.359 2.327 2.364 3.445 ------------------------------------------------------------------ MEANS: 2.385 2.377 2.356 2.324 2.365 3.471 STAND DEV 0.008 0.003 0.003 0.005 0.003 0.033 SAMPLE SIZE 24 24 24 24 24 24 ------------------------------------------------------------------ 13.DAT CALCULATIONS OF SUGAR 1-4 BOND LENGTHS B#/CHN RES C2*-C4* O4*-C3* C1*-C4* C2*-O4* C3*-C1* C5*-C1* ------------------------------------------------------------------ ****** 1a G ** * * 2a G 3a A 4a G 5a G 6a A 7a G 8a A 9a A 10a G 11a A 12a A 13a T 14a T 15a C 16a T * **** 17a T * 18a C 19a T 20a C 21a C 22a T 23a C 24a C ------------------------------------------------------------------ 13.DAT CALCULATIONS OF BACKBONE(6) AND CHI(1) 1-4 BOND LENGTHS B#/CHN RES O3*-C5* P-C4* O5*-C3* C5*-O3* C4*-P C3*-O5* O4*-C6/8 --------------------------------------------------------------------------- 1a G 0.000 0.000 2.994* 3.743* 3.925* 3.463 3.104 2a G 3.001 3.932 2.877 3.698 3.932 3.492 3.012 3a A 3.019 3.939 2.926 3.687 3.934 3.620 3.050 4a G 3.004 3.939 2.940 3.698 3.935 3.565 2.963 5a G 3.031 3.940 2.928 3.709 3.935 3.581 2.998 6a A 3.058 3.941 2.948 3.709 3.936 3.574 3.056 7a G 3.077 3.940 2.920 3.698 3.934 3.576 2.977 8a A 3.092 3.940 2.961 3.714 3.936 3.511 3.057 9a A 3.028 3.937 2.864 3.705 3.933 3.592 3.073 10a G 3.052 3.941 2.895 3.704 3.935 3.580 2.990 11a A 3.046 3.940 2.920 3.706 3.936 3.555 3.061 12a A 3.038 3.941 2.899 3.697 0.000 0.000 3.037 13a T 0.000 0.000 2.949 3.703 3.935 3.482 2.834 14a T 3.095 3.939 2.915 3.664 3.933 3.510 2.905 15a C 3.077 3.941 2.941 3.686 3.935 3.469 2.869 16a T 3.047 3.940 2.904 3.633* 3.931 3.502 2.873 17a T 3.030 3.940 2.912 3.648* 3.933 3.546 2.892 18a C 2.963* 3.940 2.875 3.712 3.924* 3.389* 2.894 19a T 3.133* 3.914* 2.924 3.666 3.933 3.586 2.910 20a C 3.029 3.938 2.967 3.694 3.935 3.571 2.864 21a C 3.037 3.940 2.935 3.699 3.935 3.546 2.836 22a T 3.015 3.940 2.956 3.676 3.933 3.597 2.863 23a C 3.043 3.940 2.934 3.709 3.936 3.504 2.877 24a C 3.096 3.926* 2.865 3.712 0.000 0.000 2.899 --------------------------------------------------------------------------- MEANS: 3.046 3.938 2.923 3.695 3.933 3.537 2.954 STAND DEV 0.037 0.006 0.032 0.023 0.003 0.055 0.085 SAMPLE SIZE 22 22 24 24 22 22 24 --------------------------------------------------------------------------- 13.DAT CALCULATIONS OF BACKBONE(6) AND CHI(1) 1-4 BOND LENGTHS B#/CHN RES O3*-C5* P-C4* O5*-C3* C5*-O3* C4*-P C3*-O5* O4*-C6/8 --------------------------------------------------------------------------- ******* 1a G *** 2a G 3a A 4a G 5a G 6a A 7a G 8a A 9a A 10a G 11a A 12a A 13a T 14a T 15a C 16a T * 17a T * 18a C * ** 19a T ** 20a C 21a C 22a T 23a C 24a C * --------------------------------------------------------------------------- 13.DAT CALCULATIONS OF PURINE 1-4 BOND LENGTHS B#/CHN RES C1*-N7 C1*-N3 N9-C5 N9-C6 N9-C2 C8-N3 C8-C4 C8-C6 C8-C5 N7-C4 N7-N3 N7-N1 C5-C2 C4-N1 N3-C6 ------------------------------------------------------------------------------------------------------------------------ 1a G 3.597 2.984 2.212 3.533 3.557 2.193 2.192 3.477 3.596 2.211 3.516 3.673 2a G 3.597 2.984 2.212 3.533 3.557 2.193 2.192 3.478 3.597 2.210 3.515 3.674 3a A 3.658 3.040 2.199 3.520 3.522 2.136 2.201 3.516 3.530 2.277 3.587 3.704 4a G 3.596 2.983 2.212 3.532 3.556 2.193 2.192 3.477 3.596 2.210 3.514 3.673 5a G 3.596 2.984 2.212 3.533 3.557 2.193 2.192 3.478 3.596 2.211 3.516 3.674 6a A 3.659 3.039 2.200 3.521 3.521 2.136 2.201 3.515 3.529 2.277 3.586 3.704 7a G 3.596 2.983 2.212 3.533 3.556 2.193 2.192 3.477 3.596 2.211 3.515 3.673 8a A 3.658 3.039 2.199 3.521 3.522 2.135 2.201 3.515 3.530 2.278 3.587 3.704 9a A 3.659 3.040 2.199 3.520 3.521 2.135 2.201 3.515 3.530 2.277 3.586 3.704 10a G 3.597 2.984 2.213 3.532 3.557 2.193 2.192 3.477 3.597 2.211 3.515 3.673 11a A 3.658 3.040 2.200 3.521 3.522 2.135 2.200 3.515 3.529 2.277 3.586 3.704 12a A 3.659 3.040 2.200 3.521 3.522 2.136 2.201 3.516 3.529 2.278 3.587 3.704 1a G 2.696 2.588 2.894 2a G 2.695 2.589 2.894 3a A 2.658 2.649 2.847 4a G 2.695 2.589 2.894 5a G 2.695 2.588 2.894 6a A 2.658 2.648 2.846 7a G 2.695 2.588 2.894 8a A 2.659 2.648 2.847 9a A 2.659 2.649 2.846 10a G 2.695 2.589 2.894 11a A 2.659 2.649 2.846 12a A 2.658 2.649 2.847 ------------------------------------------------------------------------------------------------------------------------ MEANS: 3.628 3.012 2.206 3.527 3.539 2.164 2.196 3.496 3.563 2.244 3.551 3.689 STAND DEV 0.031 0.028 0.006 0.006 0.018 0.029 0.004 0.019 0.033 0.033 0.036 0.015 SAMPLE SIZE 12 12 12 12 12 12 12 12 12 12 12 12 MEANS: 2.677 2.619 2.870 STAND DEV 0.018 0.030 0.024 SAMPLE SIZE 12 12 12 ------------------------------------------------------------------------------------------------------------------------ 13.DAT CALCULATIONS OF PURINE 1-4 BOND LENGTHS B#/CHN RES C1*-N7 C1*-N3 N9-C5 N9-C6 N9-C2 C8-N3 C8-C4 C8-C6 C8-C5 N7-C4 N7-N3 N7-N1 C5-C2 C4-N1 N3-C6 ------------------------------------------------------------------------------------------------------------------------ *************** 1a G 2a G 3a A 4a G 5a G 6a A 7a G 8a A 9a A 10a G 11a A 12a A ------------------------------------------------------------------------------------------------------------------------ 13.DAT CALCULATIONS OF PYRIMIDINE 1-4 BOND LENGTHS B#/CHN RES C1*-N3 N1-C4 C2-C5 N3-C6 C1*-C5 FOR PSU C1*-N3 C5-C2 C4-N1 N3-C6 C1*-N1 --------------------------------------------------------- 13a T 3.677 2.783 2.819 2.669 3.708 14a T 3.678 2.783 2.819 2.669 3.709 15a C 3.672 2.698 2.749 2.743 3.690 16a T 3.676 2.783 2.818 2.668 3.707 17a T 3.677 2.783 2.819 2.669 3.708 18a C 3.672 2.697 2.750 2.744 3.690 19a T 3.677 2.783 2.819 2.669 3.708 20a C 3.672 2.697 2.749 2.745 3.689 21a C 3.673 2.697 2.750 2.745 3.689 22a T 3.677 2.783 2.818 2.668 3.708 23a C 3.672 2.697 2.749 2.744 3.689 24a C 3.673 2.697 2.749 2.744 3.690 --------------------------------------------------------- MEANS: 3.675 2.740 2.784 2.706 3.699 STAND DEV 0.002 0.043 0.035 0.038 0.009 SAMPLE SIZE 12 12 12 12 12 --------------------------------------------------------- 13.DAT CALCULATIONS OF PYRIMIDINE 1-4 BOND LENGTHS B#/CHN RES C1*-N3 N1-C4 C2-C5 N3-C6 C1*-C5 FOR PSU C1*-N3 C5-C2 C4-N1 N3-C6 C1*-N1 --------------------------------------------------------- ***** 13a T 14a T 15a C 16a T 17a T 18a C 19a T 20a C 21a C 22a T 23a C 24a C ---------------------------------------------------------