4.DAT CALCULATIONS OF SUGAR BOND LENGTHS B#/CHN RES C1*-C2* C2*-C3* C3*-C4* C4*-O4* O4*-C1* --------------------------------------------------------- 1a C 1.520 1.525 1.525 1.455 1.420 2a G 1.520 1.525 1.524 1.455 1.420 3a A 1.520 1.525 1.524 1.455 1.420 4a C 1.520 1.526 1.525 1.455 1.420 5a G 1.520 1.525 1.525 1.456 1.420 6a T 1.520 1.525 1.525 1.456 1.420 7a C 1.520 1.525 1.526 1.455 1.420 8a A 1.519* 1.525 1.525 1.455 1.420 9a T 1.521* 1.525 1.525 1.454 1.420 10a A 1.520 1.525 1.525 1.455 1.420 11a G 1.520 1.525 1.524 1.455 1.420 12a T 1.520 1.524 1.525 1.455 1.420 13a A 1.520 1.525 1.525 1.454 1.420 14a C 1.520 1.524 1.525 1.455 1.420 15a T 1.519* 1.525 1.526 1.455 1.420 16a A 1.521* 1.525 1.524 1.455 1.420 17a T 1.521* 1.525 1.524 1.455 1.420 18a G 1.520 1.525 1.524 1.454 1.420 19a A 1.520 1.525 1.525 1.455 1.420 20a C 1.520 1.524 1.525 1.455 1.420 21a G 1.520 1.524 1.525 1.454 1.420 22a T 1.521* 1.525 1.525 1.455 1.420 23a C 1.520 1.525 1.525 1.454 1.420 24a G 1.520 1.525 1.525 1.455 1.420 --------------------------------------------------------- MEANS: 1.520 1.525 1.525 1.455 1.420 STAND DEV 0.000 0.001 0.000 0.000 0.000 SAMPLE SIZE 24 24 24 24 24 --------------------------------------------------------- 14.DAT CALCULATIONS OF SUGAR BOND LENGTHS B#/CHN RES C1*-C2* C2*-C3* C3*-C4* C4*-O4* O4*-C1* --------------------------------------------------------- ***** 1a C 2a G 3a A 4a C 5a G 6a T 7a C 8a A * 9a T * 10a A 11a G 12a T 13a A 14a C 15a T * 16a A * 17a T * 18a G 19a A 20a C 21a G 22a T * 23a C 24a G --------------------------------------------------------- 14.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 C 0.000 1.440 1.511 1.525 1.430 1.600 1.420 1.460 1.360 2a G 1.600 1.440 1.510 1.524 1.430 1.599 1.420 1.460 1.331 3a A 1.600 1.440 1.509 1.524 1.430 1.600 1.420 1.460 1.361 4a C 1.600 1.439* 1.511 1.525 1.430 1.600 1.420 1.461 1.360 5a G 1.601* 1.440 1.510 1.525 1.430 1.600 1.420 1.460 1.330 6a T 1.600 1.440 1.510 1.525 1.430 1.600 1.420 1.460 1.366 7a C 1.600 1.440 1.510 1.526 1.429 1.600 1.420 1.460 1.360 8a A 1.601* 1.441* 1.510 1.525 1.431 1.600 1.420 1.461 1.360 9a T 1.600 1.440 1.510 1.525 1.430 1.601 1.420 1.460 1.366 10a A 1.599* 1.440 1.510 1.525 1.430 1.600 1.420 1.460 1.359 11a G 1.601* 1.440 1.510 1.524 1.431 1.599 1.420 1.460 1.330 12a T 1.600 1.440 1.509 1.525 1.430 0.000 1.420 1.460 1.366 13a A 0.000 1.440 1.509 1.525 1.430 1.601 1.420 1.460 1.359 14a C 1.600 1.441* 1.510 1.525 1.430 1.601 1.420 1.460 1.360 15a T 1.601* 1.440 1.510 1.526 1.430 1.600 1.420 1.460 1.366 16a A 1.600 1.441* 1.510 1.524 1.430 1.600 1.420 1.460 1.359 17a T 1.600 1.440 1.511 1.524 1.431 1.600 1.420 1.460 1.366 18a G 1.599* 1.440 1.510 1.524 1.430 1.600 1.420 1.461 1.330 19a A 1.600 1.440 1.510 1.525 1.431 1.599 1.420 1.460 1.360 20a C 1.600 1.440 1.510 1.525 1.430 1.600 1.420 1.460 1.361 21a G 1.600 1.440 1.511 1.525 1.430 1.600 1.420 1.460 1.330 22a T 1.599* 1.440 1.511 1.525 1.430 1.600 1.420 1.459 1.366 23a C 1.599* 1.440 1.510 1.525 1.430 1.600 1.420 1.460 1.360 24a G 1.601* 1.440 1.510 1.525 1.430 0.000 1.420 1.460 1.329 --------------------------------------------------------------------------------------------- MEANS: 1.600 1.440 1.510 1.525 1.430 1.600 1.420 1.460 1.354 STAND DEV 0.000 0.000 0.001 0.000 0.000 0.001 0.000 0.000 0.014 SAMPLE SIZE 22 24 24 24 24 22 24 24 24 --------------------------------------------------------------------------------------------- 14.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 C 2a G 3a A 4a C * 5a G * 6a T 7a C 8a A ** 9a T 10a A * 11a G * 12a T 13a A 14a C * 15a T * 16a A * 17a T 18a G * 19a A 20a C 21a G 22a T * 23a C * 24a G * --------------------------------------------------------------------------------------------- 14.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 --------------------------------------------------------------------------------------------------------------- 2a G 1.460 1.331 1.330 1.380 1.370 1.335 1.321 1.360 1.390 1.421 1.381 3a A 1.460 1.361 1.330 1.380 1.380 1.350 1.299 1.370 1.360 1.410 1.387 5a G 1.460 1.330 1.330 1.381 1.370 1.334 1.320 1.360 1.391 1.420 1.381 8a A 1.461 1.360 1.329* 1.380 1.380 1.350 1.300 1.370 1.360 1.409 1.387 10a A 1.460 1.359 1.330 1.379 1.380 1.350 1.300 1.370 1.360 1.410 1.387 11a G 1.460 1.330 1.330 1.380 1.370 1.334 1.320 1.360 1.391 1.420 1.381 13a A 1.460 1.359 1.330 1.380 1.380 1.350 1.300 1.369 1.360 1.409 1.387 16a A 1.460 1.359 1.330 1.380 1.380 1.350 1.300 1.370 1.360 1.409 1.387 18a G 1.461 1.330 1.329* 1.380 1.371 1.334 1.319 1.360 1.390 1.420 1.380 19a A 1.460 1.360 1.330 1.380 1.380 1.350 1.300 1.370 1.360 1.409 1.387 21a G 1.460 1.330 1.330 1.380 1.371 1.334 1.320 1.360 1.390 1.420 1.380 24a G 1.460 1.329 1.330 1.380 1.371 1.334 1.320 1.360 1.390 1.419 1.381 --------------------------------------------------------------------------------------------------------------- MEANS: 1.460 1.345 1.330 1.380 1.375 1.342 1.310 1.365 1.375 1.415 1.384 STAND DEV 0.000 0.015 0.000 0.000 0.005 0.008 0.010 0.005 0.015 0.005 0.003 SAMPLE SIZE 12 12 12 12 12 12 12 12 12 12 12 --------------------------------------------------------------------------------------------------------------- 14.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 --------------------------------------------------------------------------------------------------------------- *********** 2a G 3a A 5a G 8a A * 10a A 11a G 13a A 16a A 18a G * 19a A 21a G 24a G --------------------------------------------------------------------------------------------------------------- 14.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 --------------------------------------------------------------------------- 1a C 1.460 1.372 1.310 1.371 1.430 1.350 1.360 4a C 1.461 1.371 1.309 1.370 1.429* 1.350 1.360 6a T 1.460 1.381 1.380 1.380 1.431* 1.340 1.366 7a C 1.460 1.370 1.310 1.370 1.430 1.350 1.360 9a T 1.460 1.381 1.380 1.379 1.430 1.340 1.366 12a T 1.460 1.381 1.380 1.379 1.430 1.340 1.366 14a C 1.460 1.372 1.311 1.370 1.430 1.350 1.360 15a T 1.460 1.381 1.380 1.380 1.430 1.340 1.366 17a T 1.460 1.381 1.380 1.380 1.430 1.340 1.366 20a C 1.460 1.371 1.311 1.370 1.430 1.349 1.361 22a T 1.459 1.381 1.380 1.380 1.430 1.339 1.366 23a C 1.460 1.371 1.310 1.370 1.430 1.349 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 0.000 0.005 0.003 SAMPLE SIZE 12 12 12 12 12 12 12 --------------------------------------------------------------------------- 14.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 --------------------------------------------------------------------------- ******* 1a C 4a C * 6a T * 7a C 9a T 12a T 14a C 15a T 17a T 20a C 22a T 23a C --------------------------------------------------------------------------- 14.DAT CALCULATIONS OF SUGAR VALENCE ANGLES B#/CHN RES C1C2*C3 C2C3*C4 C3C4*O4 C4O4*C1 O4C1*C2 C5C4*O4 ------------------------------------------------------------------ 1a C 101.869 102.506 105.736 110.238 104.548 108.961 2a G 101.812 102.304 105.547 110.390 104.893 109.035 3a A 101.856 102.523 105.742 110.234 104.527 108.998 4a C 101.802 102.769 105.826 110.138 104.434 108.918 5a G 101.864 102.807 105.807 110.119 104.412 108.943 6a T 102.382* 103.891 105.962 109.566 103.778 108.899 7a C 101.864 102.504 105.792 110.208 104.506 108.987 8a A 101.847 102.880 105.828 110.081 104.411 108.989 9a T 102.004 103.394 105.951 109.878 104.056 108.945 10a A 101.836 102.205 105.521 110.401 104.895 109.055 11a G 101.883 103.017 105.903 110.024 104.312 108.976 12a T 102.450* 103.888 105.956 109.609 103.731 108.953 13a A 102.062 101.548* 104.889* 110.500 105.687* 109.228* 14a C 101.869 102.837 105.798 110.114 104.433 108.967 15a T 102.432* 103.850 105.977 109.590 103.760 108.911 16a A 102.281 103.836 105.974 109.646 103.785 108.867 17a T 102.050 103.518 105.960 109.836 104.049 108.961 18a G 101.828 102.436 105.702 110.282 104.657 109.008 19a A 101.887 102.570 105.800 110.213 104.476 108.973 20a C 101.896 102.628 105.822 110.128 104.480 108.924 21a G 101.851 102.620 105.810 110.160 104.501 108.946 22a T 102.145 103.635 105.979 109.747 103.963 108.880 23a C 101.914 102.933 105.878 110.104 104.286 108.957 24a G 101.834 102.511 105.724 110.234 104.622 109.003 ------------------------------------------------------------------ MEANS: 101.980 102.900 105.787 110.060 104.383 108.970 STAND DEV 0.201 0.602 0.222 0.265 0.433 0.063 SAMPLE SIZE 24 24 24 24 24 24 ------------------------------------------------------------------ 14.DAT CALCULATIONS OF SUGAR VALENCE ANGLES B#/CHN RES C1C2*C3 C2C3*C4 C3C4*O4 C4O4*C1 O4C1*C2 C5C4*O4 ------------------------------------------------------------------ ****** 1a C 2a G 3a A 4a C 5a G 6a T * 7a C 8a A 9a T 10a A 11a G 12a T * 13a A ** ** 14a C 15a T * 16a A 17a T 18a G 19a A 20a C 21a G 22a T 23a C 24a G ------------------------------------------------------------------ 14.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 C 0.000 0.000 109.997 115.471 108.927 121.275 108.155 0.000 119.499 0.000 2a G 101.424 121.183 109.977 115.515 108.987 121.334 0.000 108.130 0.000 127.102 3a A 101.410 121.182 109.988 115.514 108.976 121.299 0.000 108.162 0.000 128.447 4a C 101.398 121.171 109.983 115.461 108.898 121.317 108.234 0.000 119.464 0.000 5a G 101.387 121.168 109.983 115.477 108.875 121.325 0.000 108.203 0.000 127.145 6a T 101.362 121.222 110.038 115.452 108.649 121.292 108.366 0.000 120.386 0.000 7a C 101.431 121.191 109.978 115.463 108.923 121.289 108.163 0.000 119.464 0.000 8a A 101.396 121.196 109.980 115.459 108.868 121.294 0.000 108.214 0.000 128.501 9a T 101.387 121.204 109.975 115.433 108.712 121.252 108.303 0.000 120.434 0.000 10a A 101.373 121.214 109.994 115.557 109.026 121.325 0.000 108.067 0.000 128.540 11a G 101.398 121.151 109.923 115.457 108.850 121.320 0.000 108.260 0.000 127.105 12a T 101.381 121.201 109.996 115.444 108.657 0.000 108.418 0.000 120.359 0.000 13a A 0.000 0.000 110.006 115.731* 109.160* 121.278 0.000 107.899* 0.000 128.493 14a C 101.340 121.209 110.000 115.457 108.847 121.266 108.205 0.000 119.530 0.000 15a T 101.376 121.226 110.028 115.365 108.609 121.307 108.365 0.000 120.388 0.000 16a A 101.420 121.151 109.970 115.455 108.666 121.291 0.000 108.365 0.000 128.508 17a T 101.377 121.213 109.968 115.416 108.721 121.282 108.340 0.000 120.365 0.000 18a G 101.399 121.236 110.022 115.505 108.976 121.302 0.000 108.146 0.000 127.083 19a A 101.380 121.245 110.052 115.406 108.878 121.266 0.000 108.201 0.000 128.527 20a C 101.413 121.226 110.017 115.445 108.867 121.271 108.174 0.000 119.495 0.000 21a G 101.388 121.202 109.984 115.481 108.926 121.285 0.000 108.219 0.000 127.046 22a T 101.410 121.238 110.001 115.423 108.646 121.256 108.355 0.000 120.440 0.000 23a C 101.397 121.213 110.033 115.404 108.806 121.269 108.274 0.000 119.517 0.000 24a G 101.400 121.181 109.946 115.501 108.917 0.000 0.000 108.172 0.000 127.074 ------------------------------------------------------------------------------------------------------ MEANS: 101.393 121.201 109.993 115.470 108.849 121.291 108.279 108.170 119.945 127.798 STAND DEV 0.038 0.065 0.051 0.072 0.144 0.000 0.081 0.114 0.451 0.707 SAMPLE SIZE 22 22 24 24 24 22 12 12 12 12 ------------------------------------------------------------------------------------------------------ 14.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 C 2a G 3a A 4a C 5a G 6a T 7a C 8a A 9a T 10a A 11a G 12a T 13a A ** * 14a C 15a T 16a A 17a T 18a G 19a A 20a C 21a G 22a T 23a C 24a G ------------------------------------------------------------------------------------------------------ 14.DAT CALCULATIONS OF PURINE VALENCE ANGLES B#/CHN RES C1*N9C8 C1*N9C4 N9C8N7 N9C4N3 C8N7C5 N7C5C4 N7C5C6 C4N3C2 N3C2N1 C2N1C6 N1C6C5 --------------------------------------------------------------------------------------------------------------- 2a G 127.102 125.007 109.999 124.914 107.999 107.033 133.559 112.911 123.272 125.636 110.766 3a A 128.447 125.050 113.027 127.007 104.037 111.202 132.107 110.738 129.148 118.549 117.113 5a G 127.145 124.940 110.047 124.977 107.973 106.986 133.560 112.921 123.336 125.579 110.766 8a A 128.501 125.029 113.102 126.990 104.002 111.213 132.093 110.722 129.109 118.570 117.109 10a A 128.540 125.015 113.123 126.976 104.004 111.198 132.140 110.728 129.066 118.626 117.123 11a G 127.105 124.957 109.982 124.980 108.026 107.002 133.565 112.940 123.300 125.603 110.755 13a A 128.493 125.045 113.083 126.934 104.014 111.167 132.111 110.690 129.089 118.641 117.064 16a A 128.508 124.992 113.083 126.985 103.995 111.207 132.117 110.703 129.082 118.610 117.129 18a G 127.083 124.968 109.996 124.997 108.039 106.968 133.638 112.929 123.351 125.575 110.797 19a A 128.527 125.000 113.099 127.002 104.017 111.156 132.115 110.733 129.097 118.581 117.118 21a G 127.046 125.010 109.987 124.976 108.020 106.955 133.641 112.976 123.274 125.621 110.796 24a G 127.074 124.964 109.975 124.965 108.033 106.982 133.626 112.941 123.257 125.643 110.780 --------------------------------------------------------------------------------------------------------------- MEANS: 127.798 124.998 111.542 125.975 106.013 109.089 132.856 111.828 126.198 122.103 113.943 STAND DEV 0.707 0.000 1.544 1.010 2.002 2.102 0.741 1.109 2.900 3.507 3.166 SAMPLE SIZE 12 12 12 12 12 12 12 12 12 12 12 --------------------------------------------------------------------------------------------------------------- 14.DAT CALCULATIONS OF PURINE VALENCE ANGLES B#/CHN RES C1*N9C8 C1*N9C4 N9C8N7 N9C4N3 C8N7C5 N7C5C4 N7C5C6 C4N3C2 N3C2N1 C2N1C6 N1C6C5 --------------------------------------------------------------------------------------------------------------- *********** 2a G 3a A 5a G 8a A 10a A 11a G 13a A 16a A 18a G 19a A 21a G 24a G --------------------------------------------------------------------------------------------------------------- 14.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* --------------------------------------------------------------------------- 1a C 120.494 121.879 118.925 121.362 116.419 121.408 60.501 4a C 120.512 121.873 118.930 121.423 116.393 121.356 60.536 6a T 118.762 115.154 126.118 115.684 118.500 123.691 59.614 7a C 120.527 121.930 118.910 121.367 116.414 121.370 60.536 9a T 118.707 115.090 126.154 115.701 118.446 123.751 59.566 12a T 118.729 115.092 126.153 115.672 118.521 123.651 59.641 14a C 120.493 121.896 118.877 121.415 116.364 121.471 60.470 15a T 118.739 115.129 126.076 115.743 118.467 123.712 59.612 17a T 118.738 115.105 126.122 115.718 118.482 123.676 59.635 20a C 120.518 121.910 118.864 121.428 116.387 121.424 60.505 22a T 118.740 115.156 126.111 115.675 118.518 123.719 59.560 23a C 120.466 121.916 118.872 121.405 116.380 121.411 60.483 --------------------------------------------------------------------------- MEANS: 119.619 118.511 122.509 118.549 117.441 122.553 60.055 STAND DEV 0.882 3.390 3.613 2.850 1.049 1.148 0.452 SAMPLE SIZE 12 12 12 12 12 12 12 --------------------------------------------------------------------------- 14.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* --------------------------------------------------------------------------- ******* 1a C 4a C 6a T 7a C 9a T 12a T 14a C 15a T 17a T 20a C 22a T 23a C --------------------------------------------------------------------------- 14.DAT CALCULATIONS OF SUGAR 1-4 BOND LENGTHS B#/CHN RES C2*-C4* O4*-C3* C1*-C4* C2*-O4* C3*-C1* C5*-C1* ------------------------------------------------------------------ 1a C 2.379 2.376 2.358 2.326 2.364 3.453 2a G 2.375 2.373 2.360 2.332 2.363 3.428 3a A 2.378 2.376 2.359 2.326 2.364 3.452 4a C 2.383 2.377 2.357 2.324 2.364 3.467 5a G 2.384 2.378 2.357 2.324 2.364 3.470 6a T 2.401 2.380 2.349* 2.314 2.372 3.532 7a C 2.379 2.378 2.358 2.325 2.364 3.456 8a A 2.385 2.377 2.356 2.323 2.363 3.473 9a T 2.393 2.379 2.353 2.319 2.367 3.504 10a A 2.374 2.372 2.361 2.332 2.364 3.424 11a G 2.386 2.378 2.355 2.322 2.364 3.481 12a T 2.401 2.380 2.350 2.313 2.373* 3.533 13a A 2.363* 2.362* 2.362 2.344* 2.368 3.351* 14a C 2.384 2.378 2.357 2.324 2.363 3.470 15a T 2.401 2.380 2.349* 2.313 2.373* 3.533 16a A 2.400 2.380 2.351 2.315 2.372 3.527 17a T 2.395 2.379 2.353 2.319 2.368 3.508 18a G 2.377 2.375 2.359 2.327 2.363 3.445 19a A 2.380 2.377 2.358 2.325 2.364 3.457 20a C 2.380 2.378 2.358 2.325 2.364 3.460 21a G 2.380 2.377 2.357 2.325 2.363 3.459 22a T 2.398 2.380 2.352 2.318 2.370 3.517 23a C 2.386 2.378 2.356 2.323 2.365 3.478 24a G 2.379 2.376 2.359 2.327 2.363 3.450 ------------------------------------------------------------------ MEANS: 2.385 2.377 2.356 2.324 2.366 3.472 STAND DEV 0.010 0.004 0.003 0.007 0.003 0.041 SAMPLE SIZE 24 24 24 24 24 24 ------------------------------------------------------------------ 14.DAT CALCULATIONS OF SUGAR 1-4 BOND LENGTHS B#/CHN RES C2*-C4* O4*-C3* C1*-C4* C2*-O4* C3*-C1* C5*-C1* ------------------------------------------------------------------ ****** 1a C 2a G 3a A 4a C 5a G 6a T * 7a C 8a A 9a T 10a A 11a G 12a T * 13a A ** * * 14a C 15a T * * 16a A 17a T 18a G 19a A 20a C 21a G 22a T 23a C 24a G ------------------------------------------------------------------ 14.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 C 0.000 0.000 2.962 3.709 3.919* 3.429 2.925 2a G 3.044 3.905* 2.863 3.722 3.935 3.530 3.035 3a A 3.029 3.937 2.893 3.709 3.935 3.600 3.082 4a C 3.031 3.940 2.914 3.701 3.934 3.545 2.899 5a G 3.056 3.941 2.901 3.699 3.935 3.544 2.990 6a T 3.027 3.937 2.963 3.645 3.932 3.550 2.852 7a C 3.047 3.940 2.905 3.707 3.935 3.484 2.898 8a A 3.061 3.939 2.875 3.696 3.935 3.588 3.069 9a T 2.985 3.939 2.906 3.673 3.930 3.647 2.922 10a A 3.105 3.940 2.970 3.724 3.937 3.461 3.037 11a G 3.017 3.935 2.816* 3.691 3.934 3.527 2.990 12a T 3.005 3.940 2.913 3.644 0.000 0.000 2.861 13a A 0.000 0.000 3.008* 3.749* 3.939 3.502 3.071 14a C 3.089 3.939 2.903 3.698 3.935 3.483 2.893 15a T 3.107 3.938 2.919 3.645 3.932 3.415 2.884 16a A 3.111 3.940 2.931 3.652 3.931 3.570 3.024 17a T 3.028 3.940 2.939 3.670 3.927 3.611 2.909 18a G 3.145 3.940 2.972 3.713 3.936 3.551 3.007 19a A 3.031 3.941 2.930 3.706 3.933 3.612 3.058 20a C 3.022 3.940 2.912 3.704 3.934 3.498 2.882 21a G 3.126 3.935 2.884 3.705 3.934 3.565 3.020 22a T 3.057 3.940 2.939 3.662 3.932 3.569 2.915 23a C 3.087 3.940 2.974 3.692 3.935 3.469 2.874 24a G 3.129 3.920* 2.878 3.711 0.000 0.000 3.040 --------------------------------------------------------------------------- MEANS: 3.061 3.937 2.920 3.693 3.933 3.534 2.964 STAND DEV 0.044 0.008 0.042 0.027 0.004 0.060 0.076 SAMPLE SIZE 22 22 24 24 22 22 24 --------------------------------------------------------------------------- 14.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 C * 2a G * 3a A 4a C 5a G 6a T 7a C 8a A 9a T 10a A 11a G * 12a T 13a A ** 14a C 15a T 16a A 17a T 18a G 19a A 20a C 21a G 22a T 23a C 24a G * --------------------------------------------------------------------------- 14.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 ------------------------------------------------------------------------------------------------------------------------ 2a G 3.596 2.984 2.212 3.533 3.557 2.192 2.192 3.477 3.596 2.211 3.515 3.673 3a A 3.658 3.040 2.199 3.519 3.521 2.136 2.201 3.516 3.531 2.277 3.586 3.704 5a G 3.597 2.984 2.213 3.533 3.557 2.193 2.192 3.477 3.596 2.211 3.516 3.674 8a A 3.659 3.040 2.198 3.521 3.521 2.135 2.201 3.515 3.529 2.277 3.586 3.705 10a A 3.658 3.039 2.199 3.521 3.522 2.135 2.200 3.515 3.530 2.277 3.586 3.703 11a G 3.596 2.984 2.212 3.532 3.557 2.193 2.193 3.477 3.596 2.211 3.515 3.673 13a A 3.659 3.039 2.199 3.521 3.522 2.136 2.200 3.515 3.531 2.277 3.586 3.704 16a A 3.658 3.039 2.199 3.521 3.521 2.136 2.201 3.516 3.530 2.278 3.587 3.704 18a G 3.596 2.985 2.212 3.532 3.557 2.193 2.192 3.478 3.596 2.211 3.515 3.674 19a A 3.659 3.040 2.199 3.521 3.522 2.136 2.201 3.515 3.530 2.277 3.586 3.704 21a G 3.596 2.984 2.212 3.532 3.557 2.193 2.192 3.477 3.596 2.211 3.515 3.674 24a G 3.596 2.984 2.213 3.533 3.557 2.193 2.192 3.477 3.596 2.211 3.514 3.673 2a G 2.696 2.588 2.895 3a A 2.658 2.650 2.846 5a G 2.694 2.589 2.895 8a A 2.658 2.649 2.846 10a A 2.659 2.649 2.846 11a G 2.695 2.588 2.894 13a A 2.658 2.649 2.847 16a A 2.659 2.649 2.847 18a G 2.695 2.589 2.894 19a A 2.658 2.649 2.846 21a G 2.695 2.588 2.894 24a G 2.695 2.587 2.894 ------------------------------------------------------------------------------------------------------------------------ MEANS: 3.627 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 0.007 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 ------------------------------------------------------------------------------------------------------------------------ 14.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 ------------------------------------------------------------------------------------------------------------------------ *************** 2a G 3a A 5a G 8a A 10a A 11a G 13a A 16a A 18a G 19a A 21a G 24a G ------------------------------------------------------------------------------------------------------------------------ 14.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 --------------------------------------------------------- 1a C 3.672 2.697 2.749 2.744 3.689 4a C 3.672 2.696 2.749 2.744 3.690 6a T 3.678 2.783 2.819 2.669 3.709 7a C 3.672 2.697 2.749 2.744 3.690 9a T 3.677 2.783 2.819 2.668 3.709 12a T 3.677 2.783 2.819 2.669 3.707 14a C 3.673 2.698 2.750 2.744 3.689 15a T 3.677 2.782 2.819 2.669 3.708 17a T 3.677 2.782 2.819 2.669 3.708 20a C 3.673 2.697 2.750 2.745 3.690 22a T 3.676 2.783 2.818 2.669 3.707 23a C 3.671 2.696 2.749 2.744 3.689 --------------------------------------------------------- MEANS: 3.675 2.740 2.784 2.707 3.699 STAND DEV 0.003 0.043 0.035 0.038 0.009 SAMPLE SIZE 12 12 12 12 12 --------------------------------------------------------- 14.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 --------------------------------------------------------- ***** 1a C 4a C 6a T 7a C 9a T 12a T 14a C 15a T 17a T 20a C 22a T 23a C ---------------------------------------------------------