NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3458 | 1drr | cing | 1-original | 22 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 H5' G 1 3.091 -8.737 1.257 2 2H5* G 1 2H5' G 1 5.298 -10.524 1.359 3 H4* G 1 H4' G 1 6.586 -8.563 0.573 4 H3* G 1 H3' G 1 5.598 -8.857 3.248 5 1H2* G 1 1H2' G 1 5.680 -6.109 3.499 6 2H2* G 1 2H2' G 1 4.186 -6.991 3.077 7 H1* G 1 H1' G 1 6.229 -5.783 1.161 8 H8 G 1 H8 G 1 2.347 -6.275 1.349 9 H1 G 1 H1 G 1 4.241 -0.206 0.404 10 1H2 G 1 1H2 G 1 7.483 -1.545 0.731 11 2H2 G 1 2H2 G 1 6.516 -0.107 0.488 12 1H5* A 2 1H5' A 2 8.904 -5.530 2.316 13 2H5* A 2 2H5' A 2 10.119 -5.661 3.605 14 H4* A 2 H4' A 2 9.781 -3.328 3.021 15 H3* A 2 H3' A 2 9.334 -4.330 5.729 16 1H2* A 2 1H2' A 2 8.015 -1.908 6.151 17 2H2* A 2 2H2' A 2 7.189 -3.454 5.818 18 H1* A 2 H1' A 2 8.072 -1.373 3.773 19 H8 A 2 H8 A 2 5.061 -3.815 4.347 20 1H6 A 2 1H6 A 2 1.477 1.073 3.128 21 2H6 A 2 2H6 A 2 1.518 -0.649 3.451 22 H2 A 2 H2 A 2 5.729 2.467 3.154 23 1H5* A 3 1H5' A 3 10.522 0.282 5.081 24 2H5* A 3 2H5' A 3 11.588 0.725 6.432 25 H4* A 3 H4' A 3 10.034 2.529 5.986 26 H3* A 3 H3' A 3 10.112 1.190 8.594 27 1H2* A 3 1H2' A 3 7.697 2.514 9.037 28 2H2* A 3 2H2' A 3 7.842 0.795 8.589 29 H1* A 3 H1' A 3 7.519 3.166 6.702 30 H8 A 3 H8 A 3 6.222 -0.511 7.213 31 1H6 A 3 1H6 A 3 0.619 1.838 6.034 32 2H6 A 3 2H6 A 3 1.527 0.396 6.445 33 H2 A 3 H2 A 3 3.592 5.166 5.739 34 1H5* G 4 1H5' G 4 9.137 5.930 8.144 35 2H5* G 4 2H5' G 4 9.503 6.713 9.694 36 H4* G 4 H4' G 4 7.466 7.633 8.690 37 H3* G 4 H3' G 4 6.929 5.950 11.181 38 1H2* G 4 1H2' G 4 5.267 8.104 9.742 39 2H2* G 4 2H2' G 4 4.660 6.904 10.909 40 H1* G 4 H1' G 4 4.670 6.729 8.220 41 H8 G 4 H8 G 4 5.583 3.289 9.639 42 H1 G 4 H1 G 4 -0.652 4.606 8.686 43 1H2 G 4 1H2 G 4 0.482 7.925 8.546 44 2H2 G 4 2H2 G 4 -0.899 6.854 8.497 45 1H5* A 5 1H5' A 5 4.903 9.939 10.915 46 2H5* A 5 2H5' A 5 5.070 10.787 12.454 47 H4* A 5 H4' A 5 2.754 10.877 11.652 48 H3* A 5 H3' A 5 3.583 10.064 14.263 49 1H2* A 5 1H2' A 5 1.201 8.709 14.530 50 2H2* A 5 2H2' A 5 2.717 7.904 14.035 51 H1* A 5 H1' A 5 0.551 9.062 12.235 52 H8 A 5 H8 A 5 3.041 6.105 11.938 53 1H6 A 5 1H6 A 5 -1.816 2.382 11.564 54 2H6 A 5 2H6 A 5 -0.072 2.505 11.618 55 H2 A 5 H2 A 5 -3.364 6.563 11.908 56 1H5* G 6 1H5' G 6 -1.023 11.210 13.661 57 2H5* G 6 2H5' G 6 -1.450 12.247 15.039 58 H4* G 6 H4' G 6 -3.289 10.740 14.574 59 H3* G 6 H3' G 6 -1.962 10.792 17.157 60 1H2* G 6 1H2' G 6 -3.056 8.296 17.612 61 2H2* G 6 2H2' G 6 -1.391 8.521 17.007 62 H1* G 6 H1' G 6 -3.909 8.219 15.313 63 H8 G 6 H8 G 6 -0.226 6.849 15.409 64 H1 G 6 H1 G 6 -4.807 2.415 14.572 65 1H2 G 6 1H2 G 6 -6.999 5.148 14.882 66 2H2 G 6 2H2 G 6 -6.846 3.416 14.690 67 1H5* A 7 1H5' A 7 -6.824 9.451 16.991 68 2H5* A 7 2H5' A 7 -7.367 9.886 18.624 69 H4* A 7 H4' A 7 -8.405 7.800 17.986 70 H3* A 7 H3' A 7 -6.174 7.391 20.028 71 1H2* A 7 1H2' A 7 -8.549 5.616 19.224 72 2H2* A 7 2H2' A 7 -7.083 5.102 20.091 73 H1* A 7 H1' A 7 -7.503 4.924 17.432 74 H8 A 7 H8 A 7 -4.003 6.318 18.274 75 1H6 A 7 1H6 A 7 -2.300 0.374 17.567 76 2H6 A 7 2H6 A 7 -1.712 2.021 17.732 77 H2 A 7 H2 A 7 -6.746 0.544 17.689 78 1H5* A 8 1H5' A 8 -10.049 5.336 20.991 79 2H5* A 8 2H5' A 8 -10.334 5.455 22.734 80 H4* A 8 H4' A 8 -10.585 3.147 22.059 81 H3* A 8 H3' A 8 -8.025 3.674 23.626 82 1H2* A 8 1H2' A 8 -9.567 1.070 23.129 83 2H2* A 8 2H2' A 8 -7.878 1.230 23.663 84 H1* A 8 H1' A 8 -8.723 0.861 21.136 85 H8 A 8 H8 A 8 -6.063 3.550 21.004 86 1H6 A 8 1H6 A 8 -2.123 -1.183 20.300 87 2H6 A 8 2H6 A 8 -2.291 0.563 20.296 88 H2 A 8 H2 A 8 -6.142 -2.853 21.282 89 1H5* G 9 1H5' G 9 -10.481 0.175 25.060 90 2H5* G 9 2H5' G 9 -10.472 0.172 26.831 91 H4* G 9 H4' G 9 -9.876 -2.038 26.027 92 H3* G 9 H3' G 9 -7.555 -0.486 27.231 93 1H2* G 9 1H2' G 9 -7.940 -3.495 26.773 94 2H2* G 9 2H2' G 9 -6.405 -2.654 27.088 95 H1* G 9 H1' G 9 -7.388 -3.339 24.690 96 H8 G 9 H8 G 9 -6.216 0.216 24.316 97 H1 G 9 H1 G 9 -1.648 -4.243 23.596 98 1H2 G 9 1H2 G 9 -4.097 -6.442 24.799 99 2H2 G 9 2H2 G 9 -2.451 -6.251 24.240 100 1H5* C 10 1H5' C 10 -8.109 -4.668 28.620 101 2H5* C 10 2H5' C 10 -7.933 -4.797 30.370 102 H4* C 10 H4' C 10 -6.617 -6.503 29.112 103 H3* C 10 H3' C 10 -5.697 -4.908 31.321 104 1H2* C 10 1H2' C 10 -3.135 -5.358 30.473 105 2H2* C 10 2H2' C 10 -4.023 -3.856 30.064 106 H1* C 10 H1' C 10 -3.862 -6.416 28.411 107 1H4 C 10 1H4 C 10 -0.546 -1.199 25.707 108 2H4 C 10 2H4 C 10 0.602 -2.515 25.728 109 H5 C 10 H5 C 10 -2.823 -1.383 26.571 110 H6 C 10 H6 C 10 -4.436 -2.896 27.513 111 H3T C 10 3HO' C 1 -4.749 -7.354 30.213 112 1H5* G 1 H5' G 1 11.528 -6.683 26.179 113 2H5* G 1 2H5' G 1 9.605 -6.058 25.101 114 H4* G 1 H4' G 1 8.741 -8.837 26.054 115 H3* G 1 H3' G 1 7.470 -6.873 24.112 116 1H2* G 1 H2' G 1 5.354 -7.861 24.768 117 2HO* G 1 2HO' G 1 6.114 -10.047 24.865 118 H1* G 1 H1' G 1 6.016 -7.857 27.453 119 H8 G 1 H8 G 1 7.292 -4.643 25.871 120 H1 G 1 H1 G 1 0.938 -4.701 26.866 121 1H2 G 1 1H2 G 1 1.414 -8.100 27.534 122 2H2 G 1 2H2 G 1 0.273 -6.780 27.400 123 1H5* C 2 1H5' C 2 4.456 -9.729 21.050 124 2H5* C 2 2H5' C 2 4.330 -8.119 21.789 125 H4* C 2 H4' C 2 3.268 -10.703 23.020 126 H3* C 2 H3' C 2 2.005 -8.480 21.402 127 1H2* C 2 H2' C 2 -0.024 -8.753 22.699 128 2HO* C 2 2HO' C 2 1.332 -10.948 23.894 129 H1* C 2 H1' C 2 1.274 -8.654 25.087 130 1H4 C 2 1H4 C 2 1.890 -2.427 22.864 131 2H4 C 2 2H4 C 2 0.175 -2.588 23.174 132 H5 C 2 H5 C 2 3.469 -4.313 23.082 133 H6 C 2 H6 C 2 3.666 -6.651 23.543 134 1H5* U 3 1H5' U 3 -1.206 -11.027 21.753 135 2H5* U 3 2H5' U 3 -1.793 -11.485 20.144 136 H4* U 3 H4' U 3 -3.610 -10.515 21.506 137 H3* U 3 H3' U 3 -2.661 -8.853 19.133 138 1H2* U 3 H2' U 3 -4.553 -7.444 19.552 139 2HO* U 3 2HO' U 3 -6.042 -9.132 20.022 140 H1* U 3 H1' U 3 -4.221 -7.481 22.309 141 H3 U 3 H3 U 3 -3.448 -3.271 20.617 142 H5 U 3 H5 U 3 0.272 -5.243 20.555 143 H6 U 3 H6 U 3 -0.850 -7.284 21.102 144 1H5* U 4 1H5' U 4 -6.670 -8.560 15.921 145 2H5* U 4 2H5' U 4 -5.365 -7.462 16.425 146 H4* U 4 H4' U 4 -8.147 -7.609 17.671 147 H3* U 4 H3' U 4 -6.809 -5.720 15.716 148 1H2* U 4 H2' U 4 -8.100 -3.911 16.687 149 2HO* U 4 2HO' U 4 -9.359 -5.948 18.219 150 H1* U 4 H1' U 4 -7.470 -4.587 19.249 151 H3 U 4 H3 U 4 -4.904 -1.007 17.739 152 H5 U 4 H5 U 4 -2.517 -4.455 17.477 153 H6 U 4 H6 U 4 -4.455 -5.784 17.906 154 1H5* C 5 1H5' C 5 -10.732 -4.283 15.726 155 2H5* C 5 2H5' C 5 -11.341 -4.156 14.065 156 H4* C 5 H4' C 5 -11.452 -1.981 15.268 157 H3* C 5 H3' C 5 -9.509 -2.169 12.933 158 1H2* C 5 H2' C 5 -9.224 0.203 13.163 159 2HO* C 5 2HO' C 5 -11.430 0.705 13.553 160 H1* C 5 H1' C 5 -9.149 0.119 15.946 161 1H4 C 5 1H4 C 5 -2.929 -1.345 14.362 162 2H4 C 5 2H4 C 5 -3.028 0.401 14.312 163 H5 C 5 H5 C 5 -4.929 -2.784 14.571 164 H6 C 5 H6 C 5 -7.297 -2.790 14.893 165 1H5* U 6 1H5' U 6 -11.234 1.156 9.392 166 2H5* U 6 2H5' U 6 -9.641 0.664 10.005 167 H4* U 6 H4' U 6 -11.234 3.124 10.873 168 H3* U 6 H3' U 6 -8.736 2.655 9.212 169 1H2* U 6 H2' U 6 -7.957 4.812 9.963 170 2HO* U 6 2HO' U 6 -9.268 6.091 11.305 171 H1* U 6 H1' U 6 -8.470 4.279 12.588 172 H3 U 6 H3 U 6 -3.956 3.809 11.658 173 H5 U 6 H5 U 6 -5.675 -0.040 11.386 174 H6 U 6 H6 U 6 -7.833 0.961 11.494 175 1H5* C 7 1H5' C 7 -9.523 6.677 8.475 176 2H5* C 7 2H5' C 7 -9.356 7.053 6.750 177 H4* C 7 H4' C 7 -7.819 8.384 8.195 178 H3* C 7 H3' C 7 -6.499 6.408 6.291 179 1H2* C 7 H2' C 7 -4.423 7.551 6.919 180 2HO* C 7 2HO' C 7 -5.525 9.656 7.069 181 H1* C 7 H1' C 7 -5.041 7.477 9.598 182 1H4 C 7 1H4 C 7 -2.946 1.324 8.410 183 2H4 C 7 2H4 C 7 -1.491 2.266 8.633 184 H5 C 7 H5 C 7 -5.191 2.334 8.235 185 H6 C 7 H6 C 7 -6.421 4.381 8.345 186 1H5* U 8 1H5' U 8 -4.663 10.392 5.492 187 2H5* U 8 2H5' U 8 -4.452 10.523 3.739 188 H4* U 8 H4' U 8 -2.326 10.837 5.037 189 H3* U 8 H3' U 8 -2.499 8.450 3.155 190 1H2* U 8 H2' U 8 -0.126 8.216 3.571 191 2HO* U 8 2HO' U 8 1.012 9.763 4.713 192 H1* U 8 H1' U 8 -0.368 8.659 6.278 193 H3 U 8 H3 U 8 0.920 4.319 5.665 194 H5 U 8 H5 U 8 -3.283 4.292 5.390 195 H6 U 8 H6 U 8 -3.246 6.682 5.306 196 1H5* U 9 1H5' U 9 1.040 11.053 2.225 197 2H5* U 9 2H5' U 9 1.374 10.990 0.488 198 H4* U 9 H4' U 9 3.327 10.354 1.919 199 H3* U 9 H3' U 9 2.189 8.213 0.082 200 1H2* U 9 H2' U 9 4.156 6.921 0.683 201 2HO* U 9 2HO' U 9 5.063 9.288 1.966 202 H1* U 9 H1' U 9 3.983 7.567 3.358 203 H3 U 9 H3 U 9 3.002 3.125 3.116 204 H5 U 9 H5 U 9 -0.577 5.074 2.057 205 H6 U 9 H6 U 9 0.644 7.127 1.917 206 1H5* C 10 1H5' C 10 6.503 8.500 -0.751 207 2H5* C 10 2H5' C 10 6.754 8.282 -2.492 208 H4* C 10 H4' C 10 8.011 6.621 -1.124 209 H3* C 10 H3' C 10 5.786 5.515 -2.895 210 1H2* C 10 H2' C 10 6.575 3.344 -2.316 211 2HO* C 10 2HO' C 10 8.875 4.708 -1.360 212 H1* C 10 H1' C 10 7.144 4.058 0.371 213 1H4 C 10 1H4 C 10 0.768 2.149 0.007 214 2H4 C 10 2H4 C 10 1.696 0.718 0.408 215 H5 C 10 H5 C 10 1.854 4.291 -0.623 216 H6 C 10 H6 C 10 3.958 5.413 -0.843 217 H3T C 10 3HO' C 10 7.568 6.605 -3.906 No H/Q in entry = 217 Start of MODEL 2 1 1H5* G 1 H5' G 1 0.920 -9.170 -0.707 2 2H5* G 1 2H5' G 1 3.137 -9.728 -0.843 3 H4* G 1 H4' G 1 4.744 -7.883 -1.221 4 H3* G 1 H3' G 1 3.580 -8.506 1.339 5 1H2* G 1 1H2' G 1 4.154 -5.909 2.109 6 2H2* G 1 2H2' G 1 2.546 -6.419 1.529 7 H1* G 1 H1' G 1 4.826 -5.257 -0.131 8 H8 G 1 H8 G 1 0.913 -5.104 -0.011 9 H1 G 1 H1 G 1 3.820 0.628 0.124 10 1H2 G 1 1H2 G 1 6.784 -1.270 0.168 11 2H2 G 1 2H2 G 1 6.072 0.329 0.202 12 1H5* A 2 1H5' A 2 7.411 -5.765 1.048 13 2H5* A 2 2H5' A 2 8.564 -6.283 2.296 14 H4* A 2 H4' A 2 8.581 -3.854 2.059 15 H3* A 2 H3' A 2 8.009 -5.178 4.600 16 1H2* A 2 1H2' A 2 7.040 -2.694 5.414 17 2H2* A 2 2H2' A 2 6.003 -4.036 4.863 18 H1* A 2 H1' A 2 7.180 -1.813 3.141 19 H8 A 2 H8 A 2 3.829 -3.833 3.407 20 1H6 A 2 1H6 A 2 1.052 1.695 3.111 21 2H6 A 2 2H6 A 2 0.813 -0.041 3.169 22 H2 A 2 H2 A 2 5.468 2.377 3.208 23 1H5* A 3 1H5' A 3 9.769 -0.785 4.384 24 2H5* A 3 2H5' A 3 10.974 -0.599 5.676 25 H4* A 3 H4' A 3 9.672 1.448 5.403 26 H3* A 3 H3' A 3 9.833 0.022 7.946 27 1H2* A 3 1H2' A 3 7.621 1.541 8.694 28 2H2* A 3 2H2' A 3 7.519 -0.142 8.115 29 H1* A 3 H1' A 3 7.350 2.383 6.415 30 H8 A 3 H8 A 3 5.621 -1.133 6.664 31 1H6 A 3 1H6 A 3 0.305 2.001 6.197 32 2H6 A 3 2H6 A 3 1.045 0.417 6.331 33 H2 A 3 H2 A 3 3.651 4.971 6.302 34 1H5* G 4 1H5' G 4 8.864 4.646 7.665 35 2H5* G 4 2H5' G 4 9.729 5.477 8.975 36 H4* G 4 H4' G 4 7.547 6.490 8.612 37 H3* G 4 H3' G 4 8.352 5.416 11.201 38 1H2* G 4 1H2' G 4 5.649 5.476 11.855 39 2H2* G 4 2H2' G 4 6.494 4.007 11.299 40 H1* G 4 H1' G 4 5.057 6.047 9.549 41 H8 G 4 H8 G 4 5.435 2.148 9.773 42 H1 G 4 H1 G 4 -0.602 4.305 9.274 43 1H2 G 4 1H2 G 4 0.875 7.463 9.651 44 2H2 G 4 2H2 G 4 -0.615 6.555 9.513 45 1H5* A 5 1H5' A 5 4.982 8.739 10.774 46 2H5* A 5 2H5' A 5 5.245 9.929 12.066 47 H4* A 5 H4' A 5 2.864 9.599 11.695 48 H3* A 5 H3' A 5 4.113 9.105 14.300 49 1H2* A 5 1H2' A 5 1.702 7.830 14.911 50 2H2* A 5 2H2' A 5 3.205 6.987 14.457 51 H1* A 5 H1' A 5 0.975 7.892 12.588 52 H8 A 5 H8 A 5 3.444 4.875 13.012 53 1H6 A 5 1H6 A 5 -1.500 1.295 12.053 54 2H6 A 5 2H6 A 5 0.227 1.335 12.342 55 H2 A 5 H2 A 5 -2.886 5.554 12.132 56 1H5* G 6 1H5' G 6 -0.390 10.341 13.768 57 2H5* G 6 2H5' G 6 -0.840 11.474 15.060 58 H4* G 6 H4' G 6 -2.688 9.967 14.567 59 H3* G 6 H3' G 6 -1.526 10.186 17.235 60 1H2* G 6 1H2' G 6 -2.805 7.783 17.781 61 2H2* G 6 2H2' G 6 -1.084 7.898 17.331 62 H1* G 6 H1' G 6 -3.439 7.523 15.432 63 H8 G 6 H8 G 6 0.206 6.152 15.918 64 H1 G 6 H1 G 6 -4.297 1.669 14.951 65 1H2 G 6 1H2 G 6 -6.531 4.363 15.191 66 2H2 G 6 2H2 G 6 -6.343 2.629 15.040 67 1H5* A 7 1H5' A 7 -5.917 8.641 16.394 68 2H5* A 7 2H5' A 7 -6.968 9.465 17.563 69 H4* A 7 H4' A 7 -7.843 7.237 17.149 70 H3* A 7 H3' A 7 -7.170 8.164 19.779 71 1H2* A 7 1H2' A 7 -6.853 5.531 20.544 72 2H2* A 7 2H2' A 7 -5.472 6.552 20.052 73 H1* A 7 H1' A 7 -7.144 4.709 18.283 74 H8 A 7 H8 A 7 -3.414 5.788 18.854 75 1H6 A 7 1H6 A 7 -2.040 -0.167 17.922 76 2H6 A 7 2H6 A 7 -1.401 1.438 18.217 77 H2 A 7 H2 A 7 -6.495 0.241 17.865 78 1H5* A 8 1H5' A 8 -10.031 4.345 19.226 79 2H5* A 8 2H5' A 8 -11.295 4.470 20.468 80 H4* A 8 H4' A 8 -10.621 2.148 20.181 81 H3* A 8 H3' A 8 -10.387 3.527 22.760 82 1H2* A 8 1H2' A 8 -8.815 1.326 23.470 83 2H2* A 8 2H2' A 8 -8.175 2.926 23.015 84 H1* A 8 H1' A 8 -8.683 0.555 21.171 85 H8 A 8 H8 A 8 -6.062 3.433 21.692 86 1H6 A 8 1H6 A 8 -1.794 -0.975 20.882 87 2H6 A 8 2H6 A 8 -2.074 0.729 21.178 88 H2 A 8 H2 A 8 -5.819 -2.921 20.784 89 1H5* G 9 1H5' G 9 -11.050 -1.123 22.392 90 2H5* G 9 2H5' G 9 -12.102 -1.681 23.712 91 H4* G 9 H4' G 9 -10.320 -3.297 23.268 92 H3* G 9 H3' G 9 -10.756 -2.122 25.894 93 1H2* G 9 1H2' G 9 -8.173 -2.914 26.502 94 2H2* G 9 2H2' G 9 -8.583 -1.261 25.970 95 H1* G 9 H1' G 9 -7.788 -3.599 24.183 96 H8 G 9 H8 G 9 -7.008 0.233 24.606 97 H1 G 9 H1 G 9 -1.883 -3.555 23.800 98 1H2 G 9 1H2 G 9 -4.234 -6.159 23.943 99 2H2 G 9 2H2 G 9 -2.539 -5.723 23.875 100 1H5* C 10 1H5' C 10 -8.532 -6.216 25.169 101 2H5* C 10 2H5' C 10 -9.041 -7.382 26.409 102 H4* C 10 H4' C 10 -6.675 -7.677 25.780 103 H3* C 10 H3' C 10 -7.570 -7.328 28.530 104 1H2* C 10 1H2' C 10 -4.937 -6.703 29.099 105 2H2* C 10 2H2' C 10 -6.211 -5.465 28.885 106 H1* C 10 H1' C 10 -4.373 -6.616 26.736 107 1H4 C 10 1H4 C 10 -2.927 -0.071 27.269 108 2H4 C 10 2H4 C 10 -1.422 -0.928 27.004 109 H5 C 10 H5 C 10 -5.094 -1.254 27.541 110 H6 C 10 H6 C 10 -6.152 -3.417 27.484 111 H3T C 10 3HO' C 1 -5.859 -8.829 28.827 112 1H5* G 1 H5' G 1 8.943 -1.746 26.982 113 2H5* G 1 2H5' G 1 7.962 -1.986 24.918 114 H4* G 1 H4' G 1 8.365 -4.543 26.551 115 H3* G 1 H3' G 1 6.357 -3.814 24.389 116 1H2* G 1 H2' G 1 4.855 -5.373 25.531 117 2HO* G 1 2HO' G 1 6.616 -6.857 26.081 118 H1* G 1 H1' G 1 5.391 -4.310 27.989 119 H8 G 1 H8 G 1 5.496 -1.248 25.852 120 H1 G 1 H1 G 1 -0.470 -3.446 26.778 121 1H2 G 1 1H2 G 1 1.132 -6.408 27.757 122 2H2 G 1 2H2 G 1 -0.390 -5.596 27.453 123 1H5* C 2 1H5' C 2 5.805 -8.060 24.687 124 2H5* C 2 2H5' C 2 5.658 -8.716 23.046 125 H4* C 2 H4' C 2 3.650 -9.166 24.457 126 H3* C 2 H3' C 2 3.244 -7.317 22.074 127 1H2* C 2 H2' C 2 0.877 -7.549 22.565 128 2HO* C 2 2HO' C 2 0.163 -8.972 24.141 129 H1* C 2 H1' C 2 1.238 -7.203 25.270 130 1H4 C 2 1H4 C 2 1.328 -1.113 22.627 131 2H4 C 2 2H4 C 2 -0.352 -1.500 22.939 132 H5 C 2 H5 C 2 3.148 -2.774 22.956 133 H6 C 2 H6 C 2 3.636 -5.006 23.664 134 1H5* U 3 1H5' U 3 0.289 -10.574 21.888 135 2H5* U 3 2H5' U 3 0.020 -11.031 20.199 136 H4* U 3 H4' U 3 -2.075 -10.350 21.414 137 H3* U 3 H3' U 3 -1.195 -8.646 19.050 138 1H2* U 3 H2' U 3 -3.346 -7.564 19.274 139 2HO* U 3 2HO' U 3 -4.570 -9.462 19.746 140 H1* U 3 H1' U 3 -3.207 -7.456 22.038 141 H3 U 3 H3 U 3 -3.043 -3.156 20.494 142 H5 U 3 H5 U 3 0.911 -4.577 20.201 143 H6 U 3 H6 U 3 0.108 -6.774 20.701 144 1H5* U 4 1H5' U 4 -5.354 -9.205 15.761 145 2H5* U 4 2H5' U 4 -4.210 -7.892 16.108 146 H4* U 4 H4' U 4 -6.888 -8.361 17.501 147 H3* U 4 H3' U 4 -5.840 -6.339 15.499 148 1H2* U 4 H2' U 4 -7.266 -4.678 16.524 149 2HO* U 4 2HO' U 4 -8.661 -5.272 18.216 150 H1* U 4 H1' U 4 -6.492 -5.277 19.064 151 H3 U 4 H3 U 4 -4.337 -1.438 17.658 152 H5 U 4 H5 U 4 -1.657 -4.635 17.096 153 H6 U 4 H6 U 4 -3.446 -6.156 17.506 154 1H5* C 5 1H5' C 5 -9.929 -5.336 15.658 155 2H5* C 5 2H5' C 5 -10.574 -5.164 14.015 156 H4* C 5 H4' C 5 -10.816 -3.072 15.352 157 H3* C 5 H3' C 5 -8.922 -2.968 12.974 158 1H2* C 5 H2' C 5 -8.797 -0.605 13.355 159 2HO* C 5 2HO' C 5 -10.163 0.418 14.809 160 H1* C 5 H1' C 5 -8.645 -0.861 16.114 161 1H4 C 5 1H4 C 5 -2.432 -1.828 14.030 162 2H4 C 5 2H4 C 5 -2.601 -0.100 14.239 163 H5 C 5 H5 C 5 -4.339 -3.385 14.213 164 H6 C 5 H6 C 5 -6.674 -3.553 14.679 165 1H5* U 6 1H5' U 6 -11.115 0.731 9.946 166 2H5* U 6 2H5' U 6 -9.450 0.217 10.280 167 H4* U 6 H4' U 6 -10.976 2.414 11.759 168 H3* U 6 H3' U 6 -8.816 2.341 9.640 169 1H2* U 6 H2' U 6 -7.787 4.276 10.611 170 2HO* U 6 2HO' U 6 -8.787 5.394 12.293 171 H1* U 6 H1' U 6 -7.943 3.375 13.183 172 H3 U 6 H3 U 6 -3.587 2.932 11.768 173 H5 U 6 H5 U 6 -5.435 -0.815 11.258 174 H6 U 6 H6 U 6 -7.546 0.214 11.651 175 1H5* C 7 1H5' C 7 -8.894 6.811 7.127 176 2H5* C 7 2H5' C 7 -7.711 5.506 7.331 177 H4* C 7 H4' C 7 -7.948 8.038 9.019 178 H3* C 7 H3' C 7 -6.071 6.981 6.898 179 1H2* C 7 H2' C 7 -4.183 7.923 8.012 180 2HO* C 7 2HO' C 7 -5.216 9.885 8.601 181 H1* C 7 H1' C 7 -4.884 7.082 10.509 182 1H4 C 7 1H4 C 7 -2.990 1.241 8.231 183 2H4 C 7 2H4 C 7 -1.495 2.108 8.492 184 H5 C 7 H5 C 7 -5.199 2.314 8.383 185 H6 C 7 H6 C 7 -6.346 4.344 8.846 186 1H5* U 8 1H5' U 8 -3.734 10.708 4.469 187 2H5* U 8 2H5' U 8 -3.497 8.961 4.666 188 H4* U 8 H4' U 8 -2.195 11.191 6.295 189 H3* U 8 H3' U 8 -1.294 9.164 4.229 190 1H2* U 8 H2' U 8 0.828 8.977 5.335 191 2HO* U 8 2HO' U 8 1.295 10.281 7.133 192 H1* U 8 H1' U 8 -0.240 8.647 7.811 193 H3 U 8 H3 U 8 0.935 4.504 6.159 194 H5 U 8 H5 U 8 -3.227 4.919 5.698 195 H6 U 8 H6 U 8 -3.011 7.238 6.180 196 1H5* U 9 1H5' U 9 2.211 11.386 4.504 197 2H5* U 9 2H5' U 9 2.753 11.851 2.878 198 H4* U 9 H4' U 9 4.467 10.501 4.036 199 H3* U 9 H3' U 9 3.094 9.107 1.700 200 1H2* U 9 H2' U 9 4.789 7.405 1.969 201 2HO* U 9 2HO' U 9 6.478 7.688 3.432 202 H1* U 9 H1' U 9 4.544 7.352 4.711 203 H3 U 9 H3 U 9 2.861 3.416 3.163 204 H5 U 9 H5 U 9 -0.339 6.145 2.946 205 H6 U 9 H6 U 9 1.206 7.916 3.385 206 1H5* C 10 1H5' C 10 7.443 8.892 1.044 207 2H5* C 10 2H5' C 10 7.760 9.067 -0.691 208 H4* C 10 H4' C 10 8.679 6.945 0.236 209 H3* C 10 H3' C 10 6.406 6.657 -1.784 210 1H2* C 10 H2' C 10 6.896 4.314 -1.757 211 2HO* C 10 2HO' C 10 9.225 4.793 -1.741 212 H1* C 10 H1' C 10 7.364 4.259 1.033 213 1H4 C 10 1H4 C 10 0.805 3.578 0.025 214 2H4 C 10 2H4 C 10 1.463 1.959 0.121 215 H5 C 10 H5 C 10 2.247 5.590 -0.048 216 H6 C 10 H6 C 10 4.506 6.370 0.090 217 H3T C 10 3HO' C 10 9.252 6.479 -1.949 No H/Q in entry = 217 Start of MODEL 3 1 1H5* G 1 H5' G 1 4.021 -11.053 -0.126 2 2H5* G 1 2H5' G 1 3.800 -9.791 1.774 3 H4* G 1 H4' G 1 6.520 -8.765 0.829 4 H3* G 1 H3' G 1 5.542 -9.066 3.531 5 1H2* G 1 1H2' G 1 5.676 -6.305 3.752 6 2H2* G 1 2H2' G 1 4.166 -7.186 3.393 7 H1* G 1 H1' G 1 6.155 -6.043 1.384 8 H8 G 1 H8 G 1 2.272 -6.460 1.702 9 H1 G 1 H1 G 1 4.250 -0.462 0.503 10 1H2 G 1 1H2 G 1 7.474 -1.844 0.825 11 2H2 G 1 2H2 G 1 6.526 -0.400 0.546 12 1H5* A 2 1H5' A 2 8.924 -5.781 2.657 13 2H5* A 2 2H5' A 2 10.086 -5.883 3.998 14 H4* A 2 H4' A 2 9.721 -3.560 3.412 15 H3* A 2 H3' A 2 9.169 -4.570 6.093 16 1H2* A 2 1H2' A 2 7.702 -2.243 6.458 17 2H2* A 2 2H2' A 2 6.971 -3.812 6.032 18 H1* A 2 H1' A 2 7.927 -1.661 4.092 19 H8 A 2 H8 A 2 4.886 -4.090 4.638 20 1H6 A 2 1H6 A 2 1.367 0.835 3.327 21 2H6 A 2 2H6 A 2 1.372 -0.869 3.738 22 H2 A 2 H2 A 2 5.647 2.100 3.085 23 1H5* A 3 1H5' A 3 10.566 0.054 5.347 24 2H5* A 3 2H5' A 3 11.356 0.588 6.844 25 H4* A 3 H4' A 3 10.012 2.386 5.885 26 H3* A 3 H3' A 3 8.843 1.248 8.454 27 1H2* A 3 1H2' A 3 8.264 3.933 7.155 28 2H2* A 3 2H2' A 3 7.266 3.009 8.304 29 H1* A 3 H1' A 3 7.149 3.057 5.528 30 H8 A 3 H8 A 3 6.392 -0.399 7.047 31 1H6 A 3 1H6 A 3 0.483 1.471 6.485 32 2H6 A 3 2H6 A 3 1.521 0.095 6.829 33 H2 A 3 H2 A 3 3.125 4.978 5.769 34 1H5* G 4 1H5' G 4 9.208 5.676 8.164 35 2H5* G 4 2H5' G 4 9.737 6.362 9.704 36 H4* G 4 H4' G 4 7.745 7.511 8.790 37 H3* G 4 H3' G 4 8.022 6.470 11.480 38 1H2* G 4 1H2' G 4 5.260 6.652 11.664 39 2H2* G 4 2H2' G 4 6.127 5.134 11.304 40 H1* G 4 H1' G 4 5.016 7.135 9.299 41 H8 G 4 H8 G 4 5.458 3.270 9.238 42 H1 G 4 H1 G 4 -0.665 5.170 9.070 43 1H2 G 4 1H2 G 4 0.674 8.411 9.340 44 2H2 G 4 2H2 G 4 -0.771 7.430 9.218 45 1H5* A 5 1H5' A 5 4.713 9.881 10.811 46 2H5* A 5 2H5' A 5 4.922 11.010 12.168 47 H4* A 5 H4' A 5 2.554 10.658 11.780 48 H3* A 5 H3' A 5 3.814 9.988 14.333 49 1H2* A 5 1H2' A 5 1.472 8.569 14.840 50 2H2* A 5 2H2' A 5 3.001 7.827 14.304 51 H1* A 5 H1' A 5 0.716 8.800 12.535 52 H8 A 5 H8 A 5 3.304 5.859 12.692 53 1H6 A 5 1H6 A 5 -1.558 2.129 11.870 54 2H6 A 5 2H6 A 5 0.180 2.220 12.075 55 H2 A 5 H2 A 5 -3.068 6.337 12.000 56 1H5* G 6 1H5' G 6 -0.836 11.418 14.212 57 2H5* G 6 2H5' G 6 -1.173 12.154 15.793 58 H4* G 6 H4' G 6 -3.063 10.805 15.085 59 H3* G 6 H3' G 6 -1.507 9.505 17.355 60 1H2* G 6 1H2' G 6 -4.367 8.983 16.471 61 2H2* G 6 2H2' G 6 -3.272 7.939 17.408 62 H1* G 6 H1' G 6 -3.761 7.985 14.695 63 H8 G 6 H8 G 6 -0.137 7.071 15.611 64 H1 G 6 H1 G 6 -4.364 2.241 15.016 65 1H2 G 6 1H2 G 6 -6.724 4.824 15.296 66 2H2 G 6 2H2 G 6 -6.458 3.102 15.167 67 1H5* A 7 1H5' A 7 -5.991 9.772 17.693 68 2H5* A 7 2H5' A 7 -6.434 10.265 19.327 69 H4* A 7 H4' A 7 -7.784 8.347 18.567 70 H3* A 7 H3' A 7 -6.430 8.571 21.062 71 1H2* A 7 1H2' A 7 -6.354 5.833 21.230 72 2H2* A 7 2H2' A 7 -4.974 6.777 20.598 73 H1* A 7 H1' A 7 -7.246 5.509 19.011 74 H8 A 7 H8 A 7 -3.474 6.183 18.372 75 1H6 A 7 1H6 A 7 -2.807 0.137 17.571 76 2H6 A 7 2H6 A 7 -2.017 1.698 17.617 77 H2 A 7 H2 A 7 -7.118 0.895 18.451 78 1H5* A 8 1H5' A 8 -9.773 5.139 20.622 79 2H5* A 8 2H5' A 8 -10.754 5.244 22.101 80 H4* A 8 H4' A 8 -10.435 2.909 21.475 81 H3* A 8 H3' A 8 -9.548 3.977 24.059 82 1H2* A 8 1H2' A 8 -8.160 1.551 24.245 83 2H2* A 8 2H2' A 8 -7.423 3.121 23.832 84 H1* A 8 H1' A 8 -8.517 1.031 21.904 85 H8 A 8 H8 A 8 -5.630 3.674 21.987 86 1H6 A 8 1H6 A 8 -1.903 -0.992 20.402 87 2H6 A 8 2H6 A 8 -2.023 0.729 20.711 88 H2 A 8 H2 A 8 -5.999 -2.676 21.061 89 1H5* G 9 1H5' G 9 -10.731 -0.583 23.642 90 2H5* G 9 2H5' G 9 -11.573 -1.080 25.126 91 H4* G 9 H4' G 9 -10.053 -2.830 24.396 92 H3* G 9 H3' G 9 -9.853 -1.616 27.036 93 1H2* G 9 1H2' G 9 -7.286 -2.646 27.140 94 2H2* G 9 2H2' G 9 -7.636 -0.962 26.664 95 H1* G 9 H1' G 9 -7.442 -3.368 24.804 96 H8 G 9 H8 G 9 -6.201 0.362 24.946 97 H1 G 9 H1 G 9 -1.743 -3.993 23.383 98 1H2 G 9 1H2 G 9 -4.308 -6.308 24.034 99 2H2 G 9 2H2 G 9 -2.618 -6.075 23.641 100 1H5* C 10 1H5' C 10 -8.180 -5.920 26.016 101 2H5* C 10 2H5' C 10 -8.554 -7.008 27.369 102 H4* C 10 H4' C 10 -6.382 -7.543 26.340 103 H3* C 10 H3' C 10 -6.717 -7.033 29.191 104 1H2* C 10 1H2' C 10 -3.976 -6.664 29.238 105 2H2* C 10 2H2' C 10 -5.145 -5.309 29.207 106 H1* C 10 H1' C 10 -3.858 -6.690 26.808 107 1H4 C 10 1H4 C 10 -1.724 -0.312 26.828 108 2H4 C 10 2H4 C 10 -0.370 -1.319 26.359 109 H5 C 10 H5 C 10 -3.912 -1.266 27.509 110 H6 C 10 H6 C 10 -5.162 -3.313 27.727 111 H3T C 10 3HO' C 1 -4.805 -8.533 27.707 112 1H5* G 1 H5' G 1 10.282 -5.136 22.493 113 2H5* G 1 2H5' G 1 10.158 -6.747 24.114 114 H4* G 1 H4' G 1 8.507 -6.363 25.942 115 H3* G 1 H3' G 1 7.496 -6.934 23.155 116 1H2* G 1 H2' G 1 5.426 -6.298 23.721 117 2HO* G 1 2HO' G 1 4.426 -6.980 25.684 118 H1* G 1 H1' G 1 6.260 -5.438 26.455 119 H8 G 1 H8 G 1 6.312 -2.500 24.313 120 H1 G 1 H1 G 1 0.341 -3.922 26.222 121 1H2 G 1 1H2 G 1 1.673 -7.109 26.858 122 2H2 G 1 2H2 G 1 0.246 -6.096 26.840 123 1H5* C 2 1H5' C 2 5.020 -10.034 21.946 124 2H5* C 2 2H5' C 2 5.084 -8.317 22.397 125 H4* C 2 H4' C 2 3.098 -10.301 23.613 126 H3* C 2 H3' C 2 2.839 -8.455 21.214 127 1H2* C 2 H2' C 2 0.492 -8.303 21.786 128 2HO* C 2 2HO' C 2 0.206 -10.519 22.327 129 H1* C 2 H1' C 2 1.009 -8.105 24.515 130 1H4 C 2 1H4 C 2 1.681 -1.990 21.992 131 2H4 C 2 2H4 C 2 0.006 -2.144 22.478 132 H5 C 2 H5 C 2 3.263 -3.895 22.065 133 H6 C 2 H6 C 2 3.508 -6.202 22.673 134 1H5* U 3 1H5' U 3 -0.931 -10.468 18.283 135 2H5* U 3 2H5' U 3 -0.405 -8.829 18.714 136 H4* U 3 H4' U 3 -2.630 -10.434 20.057 137 H3* U 3 H3' U 3 -2.534 -8.016 18.222 138 1H2* U 3 H2' U 3 -4.579 -7.252 19.299 139 2HO* U 3 2HO' U 3 -5.398 -9.450 19.597 140 H1* U 3 H1' U 3 -3.562 -7.572 21.798 141 H3 U 3 H3 U 3 -3.288 -3.129 20.503 142 H5 U 3 H5 U 3 0.470 -4.857 19.706 143 H6 U 3 H6 U 3 -0.463 -7.000 20.167 144 1H5* U 4 1H5' U 4 -6.709 -8.981 18.135 145 2H5* U 4 2H5' U 4 -7.245 -8.944 16.445 146 H4* U 4 H4' U 4 -8.539 -7.394 17.864 147 H3* U 4 H3' U 4 -6.735 -6.082 15.791 148 1H2* U 4 H2' U 4 -7.879 -4.040 16.364 149 2HO* U 4 2HO' U 4 -9.606 -5.664 17.936 150 H1* U 4 H1' U 4 -7.747 -4.508 19.078 151 H3 U 4 H3 U 4 -5.056 -0.969 17.911 152 H5 U 4 H5 U 4 -2.738 -4.424 17.176 153 H6 U 4 H6 U 4 -4.678 -5.755 17.591 154 1H5* C 5 1H5' C 5 -10.713 -4.444 15.197 155 2H5* C 5 2H5' C 5 -10.985 -4.145 13.474 156 H4* C 5 H4' C 5 -11.195 -2.097 14.928 157 H3* C 5 H3' C 5 -8.973 -2.100 12.847 158 1H2* C 5 H2' C 5 -8.759 0.258 13.417 159 2HO* C 5 2HO' C 5 -10.214 1.241 14.810 160 H1* C 5 H1' C 5 -8.950 -0.229 16.136 161 1H4 C 5 1H4 C 5 -2.652 -1.327 14.308 162 2H4 C 5 2H4 C 5 -2.754 0.391 14.606 163 H5 C 5 H5 C 5 -4.620 -2.819 14.324 164 H6 C 5 H6 C 5 -6.987 -2.926 14.692 165 1H5* U 6 1H5' U 6 -11.584 1.471 12.382 166 2H5* U 6 2H5' U 6 -11.723 1.891 10.669 167 H4* U 6 H4' U 6 -10.924 3.770 12.141 168 H3* U 6 H3' U 6 -9.045 2.788 9.956 169 1H2* U 6 H2' U 6 -7.753 4.801 10.502 170 2HO* U 6 2HO' U 6 -9.766 6.036 10.943 171 H1* U 6 H1' U 6 -7.947 4.364 13.206 172 H3 U 6 H3 U 6 -3.615 3.583 11.967 173 H5 U 6 H5 U 6 -5.614 -0.097 11.514 174 H6 U 6 H6 U 6 -7.691 1.058 11.768 175 1H5* C 7 1H5' C 7 -9.542 7.216 9.442 176 2H5* C 7 2H5' C 7 -9.582 7.527 7.702 177 H4* C 7 H4' C 7 -7.789 8.803 8.918 178 H3* C 7 H3' C 7 -6.934 6.769 6.820 179 1H2* C 7 H2' C 7 -4.721 7.699 7.080 180 2HO* C 7 2HO' C 7 -5.366 9.905 7.213 181 H1* C 7 H1' C 7 -4.932 7.898 9.856 182 1H4 C 7 1H4 C 7 -3.009 1.660 8.779 183 2H4 C 7 2H4 C 7 -1.544 2.612 8.893 184 H5 C 7 H5 C 7 -5.250 2.703 8.646 185 H6 C 7 H6 C 7 -6.441 4.776 8.751 186 1H5* U 8 1H5' U 8 -4.513 9.594 3.191 187 2H5* U 8 2H5' U 8 -4.291 7.990 3.922 188 H4* U 8 H4' U 8 -2.955 10.574 4.851 189 H3* U 8 H3' U 8 -2.017 8.143 3.298 190 1H2* U 8 H2' U 8 0.177 8.481 4.308 191 2HO* U 8 2HO' U 8 -0.038 10.830 4.299 192 H1* U 8 H1' U 8 -0.841 8.667 6.831 193 H3 U 8 H3 U 8 0.847 4.409 6.150 194 H5 U 8 H5 U 8 -3.315 4.187 5.619 195 H6 U 8 H6 U 8 -3.400 6.570 5.596 196 1H5* U 9 1H5' U 9 1.273 10.718 2.755 197 2H5* U 9 2H5' U 9 1.667 10.808 1.027 198 H4* U 9 H4' U 9 3.595 10.035 2.367 199 H3* U 9 H3' U 9 2.362 7.958 0.509 200 1H2* U 9 H2' U 9 4.333 6.627 1.039 201 2HO* U 9 2HO' U 9 5.752 8.505 1.101 202 H1* U 9 H1' U 9 4.134 7.126 3.730 203 H3 U 9 H3 U 9 2.926 2.775 3.018 204 H5 U 9 H5 U 9 -0.629 5.016 2.755 205 H6 U 9 H6 U 9 0.685 7.006 2.696 206 1H5* C 10 1H5' C 10 6.694 8.218 -0.596 207 2H5* C 10 2H5' C 10 6.783 8.012 -2.354 208 H4* C 10 H4' C 10 8.111 6.304 -1.077 209 H3* C 10 H3' C 10 5.759 5.286 -2.735 210 1H2* C 10 H2' C 10 6.594 3.087 -2.263 211 2HO* C 10 2HO' C 10 8.617 2.840 -1.203 212 H1* C 10 H1' C 10 7.230 3.727 0.419 213 1H4 C 10 1H4 C 10 0.811 1.975 0.231 214 2H4 C 10 2H4 C 10 1.720 0.505 0.515 215 H5 C 10 H5 C 10 1.920 4.119 -0.353 216 H6 C 10 H6 C 10 4.038 5.210 -0.587 217 H3T C 10 3HO' C 10 8.575 5.357 -3.184 No H/Q in entry = 217 Start of MODEL 4 1 1H5* G 1 H5' G 1 2.246 -8.889 0.804 2 2H5* G 1 2H5' G 1 4.398 -10.741 0.732 3 H4* G 1 H4' G 1 5.719 -8.776 0.016 4 H3* G 1 H3' G 1 4.793 -9.189 2.708 5 1H2* G 1 1H2' G 1 5.025 -6.461 3.102 6 2H2* G 1 2H2' G 1 3.479 -7.253 2.694 7 H1* G 1 H1' G 1 5.500 -6.040 0.759 8 H8 G 1 H8 G 1 1.610 -6.357 1.113 9 H1 G 1 H1 G 1 3.759 -0.344 0.369 10 1H2 G 1 1H2 G 1 6.941 -1.854 0.433 11 2H2 G 1 2H2 G 1 6.036 -0.360 0.321 12 1H5* A 2 1H5' A 2 8.204 -6.014 1.795 13 2H5* A 2 2H5' A 2 9.474 -6.242 3.016 14 H4* A 2 H4' A 2 9.210 -3.878 2.502 15 H3* A 2 H3' A 2 8.886 -4.931 5.210 16 1H2* A 2 1H2' A 2 7.718 -2.460 5.768 17 2H2* A 2 2H2' A 2 6.797 -3.955 5.456 18 H1* A 2 H1' A 2 7.650 -1.869 3.403 19 H8 A 2 H8 A 2 4.559 -4.176 4.091 20 1H6 A 2 1H6 A 2 1.171 0.947 3.346 21 2H6 A 2 2H6 A 2 1.137 -0.787 3.597 22 H2 A 2 H2 A 2 5.484 2.109 3.109 23 1H5* A 3 1H5' A 3 10.190 -0.430 4.456 24 2H5* A 3 2H5' A 3 11.412 0.001 5.672 25 H4* A 3 H4' A 3 9.897 1.866 5.290 26 H3* A 3 H3' A 3 10.271 0.687 7.933 27 1H2* A 3 1H2' A 3 7.923 2.011 8.636 28 2H2* A 3 2H2' A 3 7.990 0.286 8.184 29 H1* A 3 H1' A 3 7.524 2.644 6.309 30 H8 A 3 H8 A 3 6.134 -0.977 6.939 31 1H6 A 3 1H6 A 3 0.545 1.630 6.359 32 2H6 A 3 2H6 A 3 1.422 0.135 6.621 33 H2 A 3 H2 A 3 3.618 4.860 6.005 34 1H5* G 4 1H5' G 4 8.815 5.194 7.344 35 2H5* G 4 2H5' G 4 9.637 6.172 8.578 36 H4* G 4 H4' G 4 7.385 6.987 8.242 37 H3* G 4 H3' G 4 8.312 6.077 10.855 38 1H2* G 4 1H2' G 4 5.620 5.983 11.559 39 2H2* G 4 2H2' G 4 6.558 4.554 11.051 40 H1* G 4 H1' G 4 4.953 6.411 9.244 41 H8 G 4 H8 G 4 5.597 2.566 9.693 42 H1 G 4 H1 G 4 -0.578 4.280 9.150 43 1H2 G 4 1H2 G 4 0.695 7.551 9.199 44 2H2 G 4 2H2 G 4 -0.733 6.541 9.159 45 1H5* A 5 1H5' A 5 4.720 9.202 10.378 46 2H5* A 5 2H5' A 5 4.968 10.435 11.632 47 H4* A 5 H4' A 5 2.605 10.031 11.344 48 H3* A 5 H3' A 5 3.933 9.575 13.921 49 1H2* A 5 1H2' A 5 1.542 8.288 14.596 50 2H2* A 5 2H2' A 5 3.047 7.455 14.130 51 H1* A 5 H1' A 5 0.772 8.301 12.290 52 H8 A 5 H8 A 5 3.288 5.319 12.671 53 1H6 A 5 1H6 A 5 -1.681 1.683 12.075 54 2H6 A 5 2H6 A 5 0.062 1.738 12.240 55 H2 A 5 H2 A 5 -3.086 5.931 12.096 56 1H5* G 6 1H5' G 6 -0.629 10.790 13.604 57 2H5* G 6 2H5' G 6 -0.995 11.919 14.926 58 H4* G 6 H4' G 6 -2.865 10.410 14.570 59 H3* G 6 H3' G 6 -1.511 10.614 17.145 60 1H2* G 6 1H2' G 6 -2.722 8.195 17.771 61 2H2* G 6 2H2' G 6 -1.044 8.328 17.183 62 H1* G 6 H1' G 6 -3.543 7.960 15.475 63 H8 G 6 H8 G 6 0.125 6.577 15.684 64 H1 G 6 H1 G 6 -4.460 2.110 15.100 65 1H2 G 6 1H2 G 6 -6.658 4.836 15.400 66 2H2 G 6 2H2 G 6 -6.497 3.098 15.266 67 1H5* A 7 1H5' A 7 -5.964 9.037 16.643 68 2H5* A 7 2H5' A 7 -6.908 9.863 17.899 69 H4* A 7 H4' A 7 -7.832 7.647 17.564 70 H3* A 7 H3' A 7 -6.908 8.548 20.129 71 1H2* A 7 1H2' A 7 -6.553 5.905 20.842 72 2H2* A 7 2H2' A 7 -5.210 6.911 20.226 73 H1* A 7 H1' A 7 -7.074 5.113 18.608 74 H8 A 7 H8 A 7 -3.285 6.114 18.791 75 1H6 A 7 1H6 A 7 -2.137 0.101 17.940 76 2H6 A 7 2H6 A 7 -1.440 1.700 18.106 77 H2 A 7 H2 A 7 -6.569 0.619 18.274 78 1H5* A 8 1H5' A 8 -9.879 4.764 19.817 79 2H5* A 8 2H5' A 8 -11.032 4.943 21.157 80 H4* A 8 H4' A 8 -10.485 2.596 20.837 81 H3* A 8 H3' A 8 -9.969 3.976 23.374 82 1H2* A 8 1H2' A 8 -8.447 1.706 23.965 83 2H2* A 8 2H2' A 8 -7.773 3.273 23.446 84 H1* A 8 H1' A 8 -8.541 0.922 21.669 85 H8 A 8 H8 A 8 -5.768 3.688 21.915 86 1H6 A 8 1H6 A 8 -1.770 -0.911 20.826 87 2H6 A 8 2H6 A 8 -1.955 0.811 21.101 88 H2 A 8 H2 A 8 -5.864 -2.685 21.095 89 1H5* G 9 1H5' G 9 -10.886 -0.654 23.145 90 2H5* G 9 2H5' G 9 -11.844 -1.129 24.564 91 H4* G 9 H4' G 9 -10.191 -2.844 24.017 92 H3* G 9 H3' G 9 -10.329 -1.580 26.634 93 1H2* G 9 1H2' G 9 -7.743 -2.483 27.033 94 2H2* G 9 2H2' G 9 -8.119 -0.827 26.488 95 H1* G 9 H1' G 9 -7.602 -3.250 24.711 96 H8 G 9 H8 G 9 -6.603 0.547 24.940 97 H1 G 9 H1 G 9 -1.754 -3.518 23.843 98 1H2 G 9 1H2 G 9 -4.211 -5.995 24.256 99 2H2 G 9 2H2 G 9 -2.508 -5.649 24.039 100 1H5* C 10 1H5' C 10 -8.366 -5.798 25.855 101 2H5* C 10 2H5' C 10 -8.821 -6.898 27.173 102 H4* C 10 H4' C 10 -6.534 -7.332 26.364 103 H3* C 10 H3' C 10 -7.174 -6.841 29.163 104 1H2* C 10 1H2' C 10 -4.476 -6.328 29.486 105 2H2* C 10 2H2' C 10 -5.704 -5.036 29.327 106 H1* C 10 H1' C 10 -4.110 -6.355 27.081 107 1H4 C 10 1H4 C 10 -2.316 0.124 27.252 108 2H4 C 10 2H4 C 10 -0.876 -0.817 26.918 109 H5 C 10 H5 C 10 -4.510 -0.938 27.731 110 H6 C 10 H6 C 10 -5.670 -3.047 27.840 111 H3T C 10 3HO' C 1 -5.515 -8.414 29.375 112 1H5* G 1 H5' G 1 10.395 -3.458 25.720 113 2H5* G 1 2H5' G 1 8.204 -2.516 24.174 114 H4* G 1 H4' G 1 8.647 -5.065 25.809 115 H3* G 1 H3' G 1 6.462 -4.260 23.857 116 1H2* G 1 H2' G 1 5.002 -5.706 25.189 117 2HO* G 1 2HO' G 1 6.722 -7.279 25.596 118 H1* G 1 H1' G 1 5.837 -4.618 27.547 119 H8 G 1 H8 G 1 5.949 -1.616 25.329 120 H1 G 1 H1 G 1 -0.046 -3.386 26.810 121 1H2 G 1 1H2 G 1 1.437 -6.425 27.737 122 2H2 G 1 2H2 G 1 -0.049 -5.522 27.534 123 1H5* C 2 1H5' C 2 5.706 -8.446 24.297 124 2H5* C 2 2H5' C 2 5.362 -9.128 22.696 125 H4* C 2 H4' C 2 3.490 -9.437 24.306 126 H3* C 2 H3' C 2 2.925 -7.608 21.937 127 1H2* C 2 H2' C 2 0.596 -7.745 22.688 128 2HO* C 2 2HO' C 2 0.854 -10.016 23.362 129 H1* C 2 H1' C 2 1.269 -7.296 25.306 130 1H4 C 2 1H4 C 2 1.547 -1.297 22.490 131 2H4 C 2 2H4 C 2 -0.127 -1.560 22.934 132 H5 C 2 H5 C 2 3.267 -3.077 22.709 133 H6 C 2 H6 C 2 3.654 -5.323 23.424 134 1H5* U 3 1H5' U 3 -0.287 -10.693 21.943 135 2H5* U 3 2H5' U 3 -0.623 -11.096 20.252 136 H4* U 3 H4' U 3 -2.633 -10.283 21.529 137 H3* U 3 H3' U 3 -1.679 -8.620 19.165 138 1H2* U 3 H2' U 3 -3.737 -7.382 19.448 139 2HO* U 3 2HO' U 3 -5.090 -9.188 19.914 140 H1* U 3 H1' U 3 -3.537 -7.332 22.215 141 H3 U 3 H3 U 3 -3.113 -3.042 20.681 142 H5 U 3 H5 U 3 0.730 -4.725 20.303 143 H6 U 3 H6 U 3 -0.204 -6.861 20.840 144 1H5* U 4 1H5' U 4 -5.846 -8.801 15.910 145 2H5* U 4 2H5' U 4 -4.621 -7.578 16.310 146 H4* U 4 H4' U 4 -7.347 -7.899 17.651 147 H3* U 4 H3' U 4 -6.139 -5.906 15.710 148 1H2* U 4 H2' U 4 -7.511 -4.197 16.735 149 2HO* U 4 2HO' U 4 -8.969 -4.752 18.382 150 H1* U 4 H1' U 4 -6.805 -4.876 19.277 151 H3 U 4 H3 U 4 -4.448 -1.129 17.918 152 H5 U 4 H5 U 4 -1.932 -4.451 17.318 153 H6 U 4 H6 U 4 -3.792 -5.886 17.727 154 1H5* C 5 1H5' C 5 -10.202 -4.772 15.702 155 2H5* C 5 2H5' C 5 -10.765 -4.501 14.040 156 H4* C 5 H4' C 5 -10.995 -2.480 15.466 157 H3* C 5 H3' C 5 -8.959 -2.272 13.211 158 1H2* C 5 H2' C 5 -8.909 0.107 13.782 159 2HO* C 5 2HO' C 5 -11.255 0.077 14.319 160 H1* C 5 H1' C 5 -8.715 -0.396 16.466 161 1H4 C 5 1H4 C 5 -2.563 -1.563 14.325 162 2H4 C 5 2H4 C 5 -2.661 0.168 14.561 163 H5 C 5 H5 C 5 -4.543 -3.034 14.450 164 H6 C 5 H6 C 5 -6.881 -3.108 14.910 165 1H5* U 6 1H5' U 6 -11.693 1.213 12.821 166 2H5* U 6 2H5' U 6 -11.952 1.486 11.093 167 H4* U 6 H4' U 6 -11.018 3.482 12.310 168 H3* U 6 H3' U 6 -9.327 2.210 10.123 169 1H2* U 6 H2' U 6 -7.890 4.127 10.356 170 2HO* U 6 2HO' U 6 -8.489 5.898 11.586 171 H1* U 6 H1' U 6 -8.050 4.139 13.143 172 H3 U 6 H3 U 6 -3.719 3.201 11.991 173 H5 U 6 H5 U 6 -5.757 -0.473 11.680 174 H6 U 6 H6 U 6 -7.821 0.701 11.965 175 1H5* C 7 1H5' C 7 -8.908 6.149 6.625 176 2H5* C 7 2H5' C 7 -7.818 4.863 7.180 177 H4* C 7 H4' C 7 -7.998 7.692 8.312 178 H3* C 7 H3' C 7 -6.030 6.218 6.542 179 1H2* C 7 H2' C 7 -4.236 7.491 7.551 180 2HO* C 7 2HO' C 7 -6.307 8.902 8.886 181 H1* C 7 H1' C 7 -5.052 7.004 10.101 182 1H4 C 7 1H4 C 7 -2.862 0.977 8.712 183 2H4 C 7 2H4 C 7 -1.409 1.933 8.894 184 H5 C 7 H5 C 7 -5.110 1.977 8.612 185 H6 C 7 H6 C 7 -6.342 4.009 8.749 186 1H5* U 8 1H5' U 8 -4.506 10.115 6.321 187 2H5* U 8 2H5' U 8 -4.265 10.571 4.623 188 H4* U 8 H4' U 8 -2.156 10.727 5.898 189 H3* U 8 H3' U 8 -2.268 8.480 3.842 190 1H2* U 8 H2' U 8 0.098 8.225 4.283 191 2HO* U 8 2HO' U 8 1.186 9.674 5.604 192 H1* U 8 H1' U 8 -0.210 8.405 7.003 193 H3 U 8 H3 U 8 0.925 4.089 6.073 194 H5 U 8 H5 U 8 -3.266 4.243 5.716 195 H6 U 8 H6 U 8 -3.139 6.627 5.810 196 1H5* U 9 1H5' U 9 1.306 10.947 3.073 197 2H5* U 9 2H5' U 9 1.576 11.043 1.325 198 H4* U 9 H4' U 9 3.541 10.150 2.564 199 H3* U 9 H3' U 9 2.148 8.226 0.659 200 1H2* U 9 H2' U 9 4.045 6.766 1.045 201 2HO* U 9 2HO' U 9 5.196 8.965 2.427 202 H1* U 9 H1' U 9 4.076 7.235 3.766 203 H3 U 9 H3 U 9 2.794 2.893 3.268 204 H5 U 9 H5 U 9 -0.710 5.130 2.595 205 H6 U 9 H6 U 9 0.628 7.112 2.535 206 1H5* C 10 1H5' C 10 6.421 8.297 -0.430 207 2H5* C 10 2H5' C 10 6.547 8.186 -2.195 208 H4* C 10 H4' C 10 7.777 6.357 -1.035 209 H3* C 10 H3' C 10 5.362 5.502 -2.699 210 1H2* C 10 H2' C 10 6.111 3.260 -2.330 211 2HO* C 10 2HO' C 10 8.371 4.041 -2.653 212 H1* C 10 H1' C 10 6.877 3.765 0.354 213 1H4 C 10 1H4 C 10 0.395 2.199 0.304 214 2H4 C 10 2H4 C 10 1.268 0.700 0.550 215 H5 C 10 H5 C 10 1.549 4.320 -0.263 216 H6 C 10 H6 C 10 3.692 5.353 -0.547 217 H3T C 10 3HO' C 10 7.104 5.007 -4.155 No H/Q in entry = 217 Start of MODEL 5 1 1H5* G 1 H5' G 1 3.644 -9.793 1.141 2 2H5* G 1 2H5' G 1 5.929 -9.939 1.113 3 H4* G 1 H4' G 1 7.183 -7.891 0.511 4 H3* G 1 H3' G 1 6.052 -8.379 3.116 5 1H2* G 1 1H2' G 1 6.122 -5.641 3.535 6 2H2* G 1 2H2' G 1 4.655 -6.509 3.008 7 H1* G 1 H1' G 1 6.754 -5.186 1.234 8 H8 G 1 H8 G 1 2.871 -5.711 1.294 9 H1 G 1 H1 G 1 4.740 0.404 0.643 10 1H2 G 1 1H2 G 1 7.986 -0.926 0.976 11 2H2 G 1 2H2 G 1 7.013 0.513 0.768 12 1H5* A 2 1H5' A 2 9.411 -5.048 2.532 13 2H5* A 2 2H5' A 2 10.557 -5.229 3.877 14 H4* A 2 H4' A 2 10.244 -2.876 3.354 15 H3* A 2 H3' A 2 9.655 -3.969 6.008 16 1H2* A 2 1H2' A 2 8.369 -1.529 6.427 17 2H2* A 2 2H2' A 2 7.533 -3.054 6.037 18 H1* A 2 H1' A 2 8.507 -0.939 4.070 19 H8 A 2 H8 A 2 5.472 -3.382 4.494 20 1H6 A 2 1H6 A 2 1.930 1.566 3.386 21 2H6 A 2 2H6 A 2 1.954 -0.164 3.665 22 H2 A 2 H2 A 2 6.189 2.923 3.453 23 1H5* A 3 1H5' A 3 11.003 0.521 5.324 24 2H5* A 3 2H5' A 3 12.076 0.991 6.657 25 H4* A 3 H4' A 3 10.657 2.813 5.939 26 H3* A 3 H3' A 3 10.639 1.777 8.692 27 1H2* A 3 1H2' A 3 8.397 3.383 9.049 28 2H2* A 3 2H2' A 3 8.424 1.614 8.860 29 H1* A 3 H1' A 3 8.080 3.690 6.679 30 H8 A 3 H8 A 3 6.889 0.025 7.353 31 1H6 A 3 1H6 A 3 1.191 2.235 6.373 32 2H6 A 3 2H6 A 3 2.154 0.801 6.669 33 H2 A 3 H2 A 3 4.039 5.682 6.291 34 1H5* G 4 1H5' G 4 9.812 6.791 9.982 35 2H5* G 4 2H5' G 4 9.162 5.167 10.301 36 H4* G 4 H4' G 4 7.642 7.621 9.304 37 H3* G 4 H3' G 4 8.102 6.548 11.993 38 1H2* G 4 1H2' G 4 5.308 6.581 12.184 39 2H2* G 4 2H2' G 4 6.285 5.125 11.864 40 H1* G 4 H1' G 4 5.065 7.005 9.798 41 H8 G 4 H8 G 4 5.803 3.181 9.956 42 H1 G 4 H1 G 4 -0.402 4.696 9.196 43 1H2 G 4 1H2 G 4 0.720 8.001 9.578 44 2H2 G 4 2H2 G 4 -0.655 6.942 9.352 45 1H5* A 5 1H5' A 5 4.668 9.739 11.237 46 2H5* A 5 2H5' A 5 4.739 10.906 12.575 47 H4* A 5 H4' A 5 2.426 10.456 11.999 48 H3* A 5 H3' A 5 3.483 9.904 14.677 49 1H2* A 5 1H2' A 5 1.082 8.508 15.020 50 2H2* A 5 2H2' A 5 2.660 7.749 14.688 51 H1* A 5 H1' A 5 0.570 8.612 12.647 52 H8 A 5 H8 A 5 3.174 5.720 13.084 53 1H6 A 5 1H6 A 5 -1.543 1.919 11.840 54 2H6 A 5 2H6 A 5 0.177 2.039 12.151 55 H2 A 5 H2 A 5 -3.155 6.088 12.021 56 1H5* G 6 1H5' G 6 -1.138 10.981 14.114 57 2H5* G 6 2H5' G 6 -1.613 11.980 15.505 58 H4* G 6 H4' G 6 -3.376 10.396 15.001 59 H3* G 6 H3' G 6 -2.066 10.451 17.603 60 1H2* G 6 1H2' G 6 -3.124 7.919 17.996 61 2H2* G 6 2H2' G 6 -1.449 8.205 17.449 62 H1* G 6 H1' G 6 -3.902 7.840 15.677 63 H8 G 6 H8 G 6 -0.174 6.603 15.945 64 H1 G 6 H1 G 6 -4.518 2.045 14.650 65 1H2 G 6 1H2 G 6 -6.830 4.686 14.905 66 2H2 G 6 2H2 G 6 -6.598 2.967 14.675 67 1H5* A 7 1H5' A 7 -6.747 8.938 17.213 68 2H5* A 7 2H5' A 7 -7.472 9.294 18.794 69 H4* A 7 H4' A 7 -8.290 7.160 17.979 70 H3* A 7 H3' A 7 -6.332 6.854 20.289 71 1H2* A 7 1H2' A 7 -8.374 4.838 19.300 72 2H2* A 7 2H2' A 7 -6.879 4.585 20.236 73 H1* A 7 H1' A 7 -7.286 4.416 17.503 74 H8 A 7 H8 A 7 -3.806 5.754 18.523 75 1H6 A 7 1H6 A 7 -2.100 -0.162 17.680 76 2H6 A 7 2H6 A 7 -1.519 1.473 17.952 77 H2 A 7 H2 A 7 -6.545 0.017 17.596 78 1H5* A 8 1H5' A 8 -10.272 4.639 20.452 79 2H5* A 8 2H5' A 8 -10.944 4.821 22.074 80 H4* A 8 H4' A 8 -11.159 2.543 21.291 81 H3* A 8 H3' A 8 -9.896 3.346 23.764 82 1H2* A 8 1H2' A 8 -8.752 0.842 23.879 83 2H2* A 8 2H2' A 8 -7.924 2.345 23.406 84 H1* A 8 H1' A 8 -9.194 0.265 21.611 85 H8 A 8 H8 A 8 -6.383 2.901 21.196 86 1H6 A 8 1H6 A 8 -2.539 -1.796 20.209 87 2H6 A 8 2H6 A 8 -2.711 -0.059 20.337 88 H2 A 8 H2 A 8 -6.588 -3.512 20.976 89 1H5* G 9 1H5' G 9 -11.427 -1.117 25.718 90 2H5* G 9 2H5' G 9 -10.069 0.007 25.525 91 H4* G 9 H4' G 9 -10.101 -3.019 25.269 92 H3* G 9 H3' G 9 -8.344 -0.992 26.726 93 1H2* G 9 1H2' G 9 -7.701 -3.961 26.400 94 2H2* G 9 2H2' G 9 -6.671 -2.468 26.574 95 H1* G 9 H1' G 9 -7.467 -3.776 24.251 96 H8 G 9 H8 G 9 -6.437 -0.061 24.510 97 H1 G 9 H1 G 9 -1.699 -4.266 23.399 98 1H2 G 9 1H2 G 9 -4.207 -6.634 24.062 99 2H2 G 9 2H2 G 9 -2.516 -6.362 23.707 100 1H5* C 10 1H5' C 10 -8.786 -5.356 27.854 101 2H5* C 10 2H5' C 10 -8.758 -5.649 29.597 102 H4* C 10 H4' C 10 -7.414 -7.287 28.221 103 H3* C 10 H3' C 10 -6.668 -6.165 30.719 104 1H2* C 10 1H2' C 10 -4.038 -6.420 30.029 105 2H2* C 10 2H2' C 10 -4.915 -4.872 29.824 106 H1* C 10 H1' C 10 -4.458 -7.065 27.747 107 1H4 C 10 1H4 C 10 -1.609 -1.134 26.205 108 2H4 C 10 2H4 C 10 -0.344 -2.319 25.998 109 H5 C 10 H5 C 10 -3.859 -1.688 26.972 110 H6 C 10 H6 C 10 -5.304 -3.489 27.668 111 H3T C 10 3HO' C 1 -5.438 -8.100 30.786 112 1H5* G 1 H5' G 1 8.086 -4.958 23.534 113 2H5* G 1 2H5' G 1 9.619 -6.596 23.882 114 H4* G 1 H4' G 1 8.471 -7.842 25.681 115 H3* G 1 H3' G 1 6.599 -6.348 23.803 116 1H2* G 1 H2' G 1 4.848 -7.653 24.896 117 2HO* G 1 2HO' G 1 6.281 -9.556 25.125 118 H1* G 1 H1' G 1 5.756 -7.052 27.390 119 H8 G 1 H8 G 1 6.524 -3.910 25.478 120 H1 G 1 H1 G 1 0.238 -4.667 26.589 121 1H2 G 1 1H2 G 1 1.115 -7.939 27.455 122 2H2 G 1 2H2 G 1 -0.175 -6.776 27.243 123 1H5* C 2 1H5' C 2 5.102 -10.361 23.767 124 2H5* C 2 2H5' C 2 4.641 -10.785 22.111 125 H4* C 2 H4' C 2 2.763 -10.958 23.762 126 H3* C 2 H3' C 2 2.480 -8.891 21.544 127 1H2* C 2 H2' C 2 0.161 -8.733 22.307 128 2HO* C 2 2HO' C 2 0.048 -11.053 22.783 129 H1* C 2 H1' C 2 0.898 -8.642 24.961 130 1H4 C 2 1H4 C 2 1.790 -2.576 22.331 131 2H4 C 2 2H4 C 2 0.088 -2.666 22.725 132 H5 C 2 H5 C 2 3.333 -4.492 22.601 133 H6 C 2 H6 C 2 3.495 -6.792 23.252 134 1H5* U 3 1H5' U 3 -1.144 -11.689 21.406 135 2H5* U 3 2H5' U 3 -1.429 -11.979 19.684 136 H4* U 3 H4' U 3 -3.468 -11.186 20.892 137 H3* U 3 H3' U 3 -2.314 -9.379 18.728 138 1H2* U 3 H2' U 3 -4.340 -8.098 18.974 139 2HO* U 3 2HO' U 3 -5.777 -9.884 19.174 140 H1* U 3 H1' U 3 -4.352 -8.299 21.755 141 H3 U 3 H3 U 3 -3.819 -3.912 20.555 142 H5 U 3 H5 U 3 0.050 -5.599 20.389 143 H6 U 3 H6 U 3 -0.933 -7.759 20.694 144 1H5* U 4 1H5' U 4 -6.021 -9.019 15.135 145 2H5* U 4 2H5' U 4 -4.797 -7.935 15.833 146 H4* U 4 H4' U 4 -7.667 -8.231 16.831 147 H3* U 4 H3' U 4 -6.233 -6.154 15.148 148 1H2* U 4 H2' U 4 -7.720 -4.497 16.141 149 2HO* U 4 2HO' U 4 -9.530 -6.019 16.262 150 H1* U 4 H1' U 4 -7.212 -5.336 18.686 151 H3 U 4 H3 U 4 -4.707 -1.555 17.596 152 H5 U 4 H5 U 4 -2.167 -4.887 17.270 153 H6 U 4 H6 U 4 -4.071 -6.313 17.477 154 1H5* C 5 1H5' C 5 -10.269 -4.910 14.772 155 2H5* C 5 2H5' C 5 -10.637 -4.599 13.065 156 H4* C 5 H4' C 5 -10.996 -2.604 14.532 157 H3* C 5 H3' C 5 -8.802 -2.408 12.435 158 1H2* C 5 H2' C 5 -8.736 -0.054 13.011 159 2HO* C 5 2HO' C 5 -10.225 0.812 14.461 160 H1* C 5 H1' C 5 -8.805 -0.546 15.718 161 1H4 C 5 1H4 C 5 -2.469 -1.611 14.228 162 2H4 C 5 2H4 C 5 -2.638 0.128 14.342 163 H5 C 5 H5 C 5 -4.419 -3.137 14.247 164 H6 C 5 H6 C 5 -6.794 -3.254 14.482 165 1H5* U 6 1H5' U 6 -11.549 1.016 12.032 166 2H5* U 6 2H5' U 6 -11.775 1.386 10.317 167 H4* U 6 H4' U 6 -10.948 3.344 11.665 168 H3* U 6 H3' U 6 -9.150 2.249 9.469 169 1H2* U 6 H2' U 6 -7.773 4.175 9.846 170 2HO* U 6 2HO' U 6 -8.456 5.886 11.103 171 H1* U 6 H1' U 6 -8.049 4.067 12.627 172 H3 U 6 H3 U 6 -3.636 3.340 11.718 173 H5 U 6 H5 U 6 -5.504 -0.396 11.163 174 H6 U 6 H6 U 6 -7.627 0.698 11.314 175 1H5* C 7 1H5' C 7 -8.668 6.299 6.178 176 2H5* C 7 2H5' C 7 -7.604 5.003 6.759 177 H4* C 7 H4' C 7 -7.840 7.803 7.955 178 H3* C 7 H3' C 7 -5.772 6.361 6.270 179 1H2* C 7 H2' C 7 -4.071 7.688 7.381 180 2HO* C 7 2HO' C 7 -4.684 9.250 8.907 181 H1* C 7 H1' C 7 -5.026 7.139 9.874 182 1H4 C 7 1H4 C 7 -2.506 1.240 8.428 183 2H4 C 7 2H4 C 7 -1.110 2.243 8.757 184 H5 C 7 H5 C 7 -4.779 2.157 8.203 185 H6 C 7 H6 C 7 -6.101 4.134 8.332 186 1H5* U 8 1H5' U 8 -4.437 10.366 6.183 187 2H5* U 8 2H5' U 8 -4.057 10.849 4.518 188 H4* U 8 H4' U 8 -2.115 11.136 6.020 189 H3* U 8 H3' U 8 -1.828 8.930 3.935 190 1H2* U 8 H2' U 8 0.516 8.894 4.630 191 2HO* U 8 2HO' U 8 0.586 11.233 4.947 192 H1* U 8 H1' U 8 -0.125 8.912 7.294 193 H3 U 8 H3 U 8 1.404 4.725 6.320 194 H5 U 8 H5 U 8 -2.732 4.617 5.551 195 H6 U 8 H6 U 8 -2.779 6.996 5.732 196 1H5* U 9 1H5' U 9 1.681 11.595 3.361 197 2H5* U 9 2H5' U 9 1.986 11.678 1.618 198 H4* U 9 H4' U 9 3.946 10.853 2.930 199 H3* U 9 H3' U 9 2.676 8.881 0.985 200 1H2* U 9 H2' U 9 4.666 7.529 1.434 201 2HO* U 9 2HO' U 9 6.072 9.427 1.554 202 H1* U 9 H1' U 9 4.518 7.953 4.153 203 H3 U 9 H3 U 9 3.456 3.576 3.416 204 H5 U 9 H5 U 9 -0.142 5.690 2.838 205 H6 U 9 H6 U 9 1.105 7.729 2.894 206 1H5* C 10 1H5' C 10 7.035 9.184 -0.117 207 2H5* C 10 2H5' C 10 7.117 9.018 -1.878 208 H4* C 10 H4' C 10 8.456 7.294 -0.637 209 H3* C 10 H3' C 10 6.125 6.293 -2.336 210 1H2* C 10 H2' C 10 7.000 4.097 -1.926 211 2HO* C 10 2HO' C 10 9.218 5.003 -2.190 212 H1* C 10 H1' C 10 7.634 4.663 0.776 213 1H4 C 10 1H4 C 10 1.246 2.771 0.437 214 2H4 C 10 2H4 C 10 2.187 1.311 0.673 215 H5 C 10 H5 C 10 2.314 4.965 -0.026 216 H6 C 10 H6 C 10 4.411 6.110 -0.192 217 H3T C 10 3HO' C 10 7.923 5.871 -3.750 No H/Q in entry = 217 Start of MODEL 6 1 1H5* G 1 H5' G 1 3.375 -9.178 -1.467 2 2H5* G 1 2H5' G 1 3.219 -9.153 0.826 3 H4* G 1 H4' G 1 5.848 -8.151 -0.383 4 H3* G 1 H3' G 1 4.482 -7.558 2.258 5 1H2* G 1 1H2' G 1 6.594 -5.878 0.852 6 2H2* G 1 2H2' G 1 5.410 -5.372 2.082 7 H1* G 1 H1' G 1 5.237 -5.232 -0.670 8 H8 G 1 H8 G 1 1.873 -5.994 1.018 9 H1 G 1 H1 G 1 3.349 0.219 0.145 10 1H2 G 1 1H2 G 1 6.543 -1.047 -0.577 11 2H2 G 1 2H2 G 1 5.543 0.377 -0.408 12 1H5* A 2 1H5' A 2 8.598 -5.824 1.761 13 2H5* A 2 2H5' A 2 9.523 -6.111 3.236 14 H4* A 2 H4' A 2 9.709 -3.771 2.523 15 H3* A 2 H3' A 2 9.011 -4.668 5.148 16 1H2* A 2 1H2' A 2 7.842 -2.221 5.605 17 2H2* A 2 2H2' A 2 6.901 -3.652 5.094 18 H1* A 2 H1' A 2 8.116 -1.498 3.319 19 H8 A 2 H8 A 2 4.920 -3.695 3.121 20 1H6 A 2 1H6 A 2 1.677 1.518 3.242 21 2H6 A 2 2H6 A 2 1.622 -0.231 3.170 22 H2 A 2 H2 A 2 5.999 2.632 3.353 23 1H5* A 3 1H5' A 3 10.436 -0.157 4.590 24 2H5* A 3 2H5' A 3 11.609 0.167 5.885 25 H4* A 3 H4' A 3 10.201 2.120 5.517 26 H3* A 3 H3' A 3 10.409 0.804 8.106 27 1H2* A 3 1H2' A 3 8.070 2.149 8.782 28 2H2* A 3 2H2' A 3 8.109 0.452 8.233 29 H1* A 3 H1' A 3 7.780 2.927 6.482 30 H8 A 3 H8 A 3 6.321 -0.705 6.750 31 1H6 A 3 1H6 A 3 0.782 2.008 6.242 32 2H6 A 3 2H6 A 3 1.639 0.486 6.394 33 H2 A 3 H2 A 3 3.890 5.225 6.266 34 1H5* G 4 1H5' G 4 9.062 5.378 7.797 35 2H5* G 4 2H5' G 4 9.859 6.239 9.131 36 H4* G 4 H4' G 4 7.625 7.102 8.817 37 H3* G 4 H3' G 4 8.468 5.938 11.361 38 1H2* G 4 1H2' G 4 5.752 5.839 11.974 39 2H2* G 4 2H2' G 4 6.686 4.441 11.377 40 H1* G 4 H1' G 4 5.158 6.466 9.687 41 H8 G 4 H8 G 4 5.760 2.591 9.786 42 H1 G 4 H1 G 4 -0.392 4.410 9.343 43 1H2 G 4 1H2 G 4 0.914 7.651 9.697 44 2H2 G 4 2H2 G 4 -0.524 6.665 9.557 45 1H5* A 5 1H5' A 5 4.963 9.132 11.053 46 2H5* A 5 2H5' A 5 5.171 10.264 12.406 47 H4* A 5 H4' A 5 2.814 9.894 11.982 48 H3* A 5 H3' A 5 4.028 9.292 14.580 49 1H2* A 5 1H2' A 5 1.642 7.929 15.081 50 2H2* A 5 2H2' A 5 3.168 7.145 14.603 51 H1* A 5 H1' A 5 0.949 8.110 12.752 52 H8 A 5 H8 A 5 3.449 5.101 13.005 53 1H6 A 5 1H6 A 5 -1.517 1.529 12.073 54 2H6 A 5 2H6 A 5 0.221 1.564 12.291 55 H2 A 5 H2 A 5 -2.905 5.778 12.307 56 1H5* G 6 1H5' G 6 -0.489 10.438 14.003 57 2H5* G 6 2H5' G 6 -0.977 11.529 15.318 58 H4* G 6 H4' G 6 -2.804 10.029 14.719 59 H3* G 6 H3' G 6 -1.733 10.189 17.429 60 1H2* G 6 1H2' G 6 -3.020 7.768 17.875 61 2H2* G 6 2H2' G 6 -1.285 7.902 17.487 62 H1* G 6 H1' G 6 -3.570 7.550 15.500 63 H8 G 6 H8 G 6 0.090 6.235 15.973 64 H1 G 6 H1 G 6 -4.343 1.667 15.075 65 1H2 G 6 1H2 G 6 -6.625 4.317 15.344 66 2H2 G 6 2H2 G 6 -6.407 2.588 15.183 67 1H5* A 7 1H5' A 7 -6.004 8.597 16.337 68 2H5* A 7 2H5' A 7 -7.139 9.461 17.393 69 H4* A 7 H4' A 7 -8.012 7.244 16.918 70 H3* A 7 H3' A 7 -7.622 8.216 19.577 71 1H2* A 7 1H2' A 7 -7.411 5.614 20.447 72 2H2* A 7 2H2' A 7 -5.962 6.592 20.063 73 H1* A 7 H1' A 7 -7.494 4.720 18.222 74 H8 A 7 H8 A 7 -3.760 5.739 18.840 75 1H6 A 7 1H6 A 7 -2.578 -0.267 17.902 76 2H6 A 7 2H6 A 7 -1.879 1.325 18.120 77 H2 A 7 H2 A 7 -7.013 0.247 18.152 78 1H5* A 8 1H5' A 8 -10.994 5.234 22.429 79 2H5* A 8 2H5' A 8 -9.213 5.194 22.472 80 H4* A 8 H4' A 8 -11.031 2.950 21.473 81 H3* A 8 H3' A 8 -10.219 3.638 24.127 82 1H2* A 8 1H2' A 8 -8.724 1.320 24.202 83 2H2* A 8 2H2' A 8 -8.021 2.924 23.847 84 H1* A 8 H1' A 8 -9.010 0.831 21.868 85 H8 A 8 H8 A 8 -6.290 3.634 21.901 86 1H6 A 8 1H6 A 8 -2.201 -0.889 20.856 87 2H6 A 8 2H6 A 8 -2.421 0.825 21.143 88 H2 A 8 H2 A 8 -6.262 -2.744 21.092 89 1H5* G 9 1H5' G 9 -11.042 -0.942 23.284 90 2H5* G 9 2H5' G 9 -11.968 -1.592 24.655 91 H4* G 9 H4' G 9 -10.265 -3.187 23.964 92 H3* G 9 H3' G 9 -10.371 -2.112 26.675 93 1H2* G 9 1H2' G 9 -7.764 -3.020 26.934 94 2H2* G 9 2H2' G 9 -8.177 -1.327 26.550 95 H1* G 9 H1' G 9 -7.658 -3.569 24.551 96 H8 G 9 H8 G 9 -6.790 0.241 24.927 97 H1 G 9 H1 G 9 -1.780 -3.606 23.769 98 1H2 G 9 1H2 G 9 -4.118 -6.185 24.210 99 2H2 G 9 2H2 G 9 -2.436 -5.764 23.963 100 1H5* C 10 1H5' C 10 -8.317 -6.240 25.651 101 2H5* C 10 2H5' C 10 -8.760 -7.413 26.909 102 H4* C 10 H4' C 10 -6.454 -7.756 26.129 103 H3* C 10 H3' C 10 -7.144 -7.379 28.935 104 1H2* C 10 1H2' C 10 -4.470 -6.801 29.318 105 2H2* C 10 2H2' C 10 -5.729 -5.536 29.176 106 H1* C 10 H1' C 10 -4.074 -6.754 26.918 107 1H4 C 10 1H4 C 10 -2.394 -0.255 27.221 108 2H4 C 10 2H4 C 10 -0.941 -1.165 26.861 109 H5 C 10 H5 C 10 -4.567 -1.363 27.691 110 H6 C 10 H6 C 10 -5.692 -3.492 27.766 111 H3T C 10 3HO' C 1 -6.377 -9.303 27.920 112 1H5* G 1 H5' G 1 9.498 -2.721 26.760 113 2H5* G 1 2H5' G 1 8.946 -2.903 24.537 114 H4* G 1 H4' G 1 8.535 -5.405 26.259 115 H3* G 1 H3' G 1 7.134 -4.421 23.744 116 1H2* G 1 H2' G 1 5.218 -5.628 24.554 117 2HO* G 1 2HO' G 1 6.361 -7.520 25.197 118 H1* G 1 H1' G 1 5.742 -4.944 27.235 119 H8 G 1 H8 G 1 5.873 -1.793 25.159 120 H1 G 1 H1 G 1 -0.081 -3.716 26.627 121 1H2 G 1 1H2 G 1 1.469 -6.763 27.420 122 2H2 G 1 2H2 G 1 -0.035 -5.880 27.277 123 1H5* C 2 1H5' C 2 5.225 -8.406 21.249 124 2H5* C 2 2H5' C 2 4.735 -6.742 21.623 125 H4* C 2 H4' C 2 3.925 -9.251 23.161 126 H3* C 2 H3' C 2 2.519 -7.389 21.225 127 1H2* C 2 H2' C 2 0.454 -7.801 22.424 128 2HO* C 2 2HO' C 2 1.975 -9.704 23.889 129 H1* C 2 H1' C 2 1.565 -7.351 24.865 130 1H4 C 2 1H4 C 2 1.334 -1.249 22.298 131 2H4 C 2 2H4 C 2 -0.309 -1.604 22.789 132 H5 C 2 H5 C 2 3.145 -2.931 22.416 133 H6 C 2 H6 C 2 3.671 -5.185 22.993 134 1H5* U 3 1H5' U 3 -0.325 -10.493 21.577 135 2H5* U 3 2H5' U 3 -0.833 -11.007 19.955 136 H4* U 3 H4' U 3 -2.759 -10.270 21.323 137 H3* U 3 H3' U 3 -2.056 -8.461 18.974 138 1H2* U 3 H2' U 3 -4.150 -7.357 19.463 139 2HO* U 3 2HO' U 3 -5.568 -8.182 20.983 140 H1* U 3 H1' U 3 -3.724 -7.338 22.164 141 H3 U 3 H3 U 3 -3.505 -3.034 20.638 142 H5 U 3 H5 U 3 0.374 -4.598 20.115 143 H6 U 3 H6 U 3 -0.478 -6.767 20.651 144 1H5* U 4 1H5' U 4 -6.327 -9.526 18.712 145 2H5* U 4 2H5' U 4 -6.789 -9.656 17.009 146 H4* U 4 H4' U 4 -8.137 -7.968 18.296 147 H3* U 4 H3' U 4 -6.401 -6.934 16.019 148 1H2* U 4 H2' U 4 -7.553 -4.830 16.354 149 2HO* U 4 2HO' U 4 -9.646 -5.712 16.706 150 H1* U 4 H1' U 4 -7.436 -5.002 19.125 151 H3 U 4 H3 U 4 -4.808 -1.463 17.916 152 H5 U 4 H5 U 4 -2.429 -4.856 17.171 153 H6 U 4 H6 U 4 -4.342 -6.230 17.601 154 1H5* C 5 1H5' C 5 -9.908 -4.873 12.673 155 2H5* C 5 2H5' C 5 -8.241 -4.478 13.139 156 H4* C 5 H4' C 5 -10.786 -3.346 14.387 157 H3* C 5 H3' C 5 -8.614 -2.244 12.578 158 1H2* C 5 H2' C 5 -8.947 -0.080 13.644 159 2HO* C 5 2HO' C 5 -11.281 -0.468 13.917 160 H1* C 5 H1' C 5 -8.781 -1.097 16.157 161 1H4 C 5 1H4 C 5 -2.491 -1.822 14.271 162 2H4 C 5 2H4 C 5 -2.670 -0.099 14.505 163 H5 C 5 H5 C 5 -4.391 -3.384 14.360 164 H6 C 5 H6 C 5 -6.741 -3.572 14.683 165 1H5* U 6 1H5' U 6 -11.401 0.949 12.526 166 2H5* U 6 2H5' U 6 -11.702 1.420 10.844 167 H4* U 6 H4' U 6 -10.857 3.313 12.218 168 H3* U 6 H3' U 6 -9.025 2.303 10.005 169 1H2* U 6 H2' U 6 -7.676 4.251 10.470 170 2HO* U 6 2HO' U 6 -9.418 5.715 10.807 171 H1* U 6 H1' U 6 -7.863 3.955 13.211 172 H3 U 6 H3 U 6 -3.539 3.069 11.966 173 H5 U 6 H5 U 6 -5.598 -0.584 11.580 174 H6 U 6 H6 U 6 -7.651 0.589 11.903 175 1H5* C 7 1H5' C 7 -8.651 6.488 6.819 176 2H5* C 7 2H5' C 7 -7.544 5.176 7.264 177 H4* C 7 H4' C 7 -7.769 7.901 8.617 178 H3* C 7 H3' C 7 -5.755 6.569 6.788 179 1H2* C 7 H2' C 7 -3.983 7.753 7.935 180 2HO* C 7 2HO' C 7 -6.078 9.053 9.344 181 H1* C 7 H1' C 7 -4.849 7.061 10.417 182 1H4 C 7 1H4 C 7 -2.707 1.131 8.619 183 2H4 C 7 2H4 C 7 -1.246 2.054 8.890 184 H5 C 7 H5 C 7 -4.942 2.165 8.555 185 H6 C 7 H6 C 7 -6.152 4.197 8.823 186 1H5* U 8 1H5' U 8 -4.226 10.467 6.910 187 2H5* U 8 2H5' U 8 -3.947 11.057 5.260 188 H4* U 8 H4' U 8 -1.873 11.121 6.584 189 H3* U 8 H3' U 8 -1.913 9.020 4.375 190 1H2* U 8 H2' U 8 0.465 8.779 4.856 191 2HO* U 8 2HO' U 8 0.743 11.087 5.268 192 H1* U 8 H1' U 8 0.062 8.715 7.569 193 H3 U 8 H3 U 8 1.186 4.474 6.344 194 H5 U 8 H5 U 8 -2.992 4.700 5.879 195 H6 U 8 H6 U 8 -2.845 7.067 6.150 196 1H5* U 9 1H5' U 9 1.738 11.524 3.635 197 2H5* U 9 2H5' U 9 1.863 11.680 1.875 198 H4* U 9 H4' U 9 3.911 10.691 2.897 199 H3* U 9 H3' U 9 2.283 8.867 1.076 200 1H2* U 9 H2' U 9 4.173 7.376 1.229 201 2HO* U 9 2HO' U 9 6.084 8.022 2.235 202 H1* U 9 H1' U 9 4.506 7.793 3.958 203 H3 U 9 H3 U 9 3.285 3.439 3.359 204 H5 U 9 H5 U 9 -0.322 5.624 3.106 205 H6 U 9 H6 U 9 0.965 7.643 3.061 206 1H5* C 10 1H5' C 10 6.398 8.879 -0.420 207 2H5* C 10 2H5' C 10 6.371 8.737 -2.186 208 H4* C 10 H4' C 10 7.624 6.881 -1.057 209 H3* C 10 H3' C 10 5.097 6.098 -2.584 210 1H2* C 10 H2' C 10 5.795 3.836 -2.234 211 2HO* C 10 2HO' C 10 8.056 4.540 -2.691 212 H1* C 10 H1' C 10 6.743 4.357 0.398 213 1H4 C 10 1H4 C 10 0.248 2.725 0.432 214 2H4 C 10 2H4 C 10 1.122 1.223 0.634 215 H5 C 10 H5 C 10 1.378 4.885 -0.013 216 H6 C 10 H6 C 10 3.508 5.954 -0.278 217 H3T C 10 3HO' C 10 6.746 5.532 -4.127 No H/Q in entry = 217 Start of MODEL 7 1 1H5* G 1 H5' G 1 4.252 -9.303 2.458 2 2H5* G 1 2H5' G 1 5.924 -10.435 1.360 3 H4* G 1 H4' G 1 7.199 -8.439 0.603 4 H3* G 1 H3' G 1 6.162 -8.785 3.249 5 1H2* G 1 1H2' G 1 6.150 -6.041 3.529 6 2H2* G 1 2H2' G 1 4.694 -6.959 3.056 7 H1* G 1 H1' G 1 6.757 -5.675 1.211 8 H8 G 1 H8 G 1 2.882 -6.255 1.293 9 H1 G 1 H1 G 1 4.674 -0.132 0.496 10 1H2 G 1 1H2 G 1 7.932 -1.412 0.870 11 2H2 G 1 2H2 G 1 6.942 0.011 0.637 12 1H5* A 2 1H5' A 2 9.363 -5.353 2.415 13 2H5* A 2 2H5' A 2 10.561 -5.441 3.724 14 H4* A 2 H4' A 2 10.137 -3.123 3.130 15 H3* A 2 H3' A 2 9.733 -4.132 5.834 16 1H2* A 2 1H2' A 2 8.244 -1.822 6.268 17 2H2* A 2 2H2' A 2 7.518 -3.406 5.883 18 H1* A 2 H1' A 2 8.338 -1.246 3.892 19 H8 A 2 H8 A 2 5.402 -3.800 4.376 20 1H6 A 2 1H6 A 2 1.687 1.016 3.220 21 2H6 A 2 2H6 A 2 1.768 -0.711 3.508 22 H2 A 2 H2 A 2 5.896 2.522 3.332 23 1H5* A 3 1H5' A 3 10.599 0.528 5.066 24 2H5* A 3 2H5' A 3 11.689 1.054 6.367 25 H4* A 3 H4' A 3 10.077 2.797 5.887 26 H3* A 3 H3' A 3 10.289 1.590 8.544 27 1H2* A 3 1H2' A 3 7.830 2.819 9.032 28 2H2* A 3 2H2' A 3 8.028 1.096 8.619 29 H1* A 3 H1' A 3 7.573 3.403 6.679 30 H8 A 3 H8 A 3 6.427 -0.310 7.231 31 1H6 A 3 1H6 A 3 0.722 1.791 6.105 32 2H6 A 3 2H6 A 3 1.704 0.387 6.470 33 H2 A 3 H2 A 3 3.526 5.282 5.958 34 1H5* G 4 1H5' G 4 8.698 6.055 7.962 35 2H5* G 4 2H5' G 4 9.325 7.018 9.316 36 H4* G 4 H4' G 4 7.065 7.697 8.808 37 H3* G 4 H3' G 4 7.794 6.687 11.447 38 1H2* G 4 1H2' G 4 5.069 6.361 11.866 39 2H2* G 4 2H2' G 4 6.154 5.033 11.373 40 H1* G 4 H1' G 4 4.601 6.895 9.529 41 H8 G 4 H8 G 4 5.390 3.063 9.952 42 H1 G 4 H1 G 4 -0.741 4.528 8.673 43 1H2 G 4 1H2 G 4 0.424 7.843 8.712 44 2H2 G 4 2H2 G 4 -0.961 6.785 8.565 45 1H5* A 5 1H5' A 5 4.213 9.967 10.836 46 2H5* A 5 2H5' A 5 4.135 10.897 12.347 47 H4* A 5 H4' A 5 1.895 10.515 11.458 48 H3* A 5 H3' A 5 2.480 8.921 13.982 49 1H2* A 5 1H2' A 5 -0.226 9.625 12.792 50 2H2* A 5 2H2' A 5 0.192 8.301 13.906 51 H1* A 5 H1' A 5 -0.013 8.264 11.148 52 H8 A 5 H8 A 5 2.810 6.023 12.497 53 1H6 A 5 1H6 A 5 -1.477 1.552 11.939 54 2H6 A 5 2H6 A 5 0.225 1.876 12.225 55 H2 A 5 H2 A 5 -3.499 5.485 11.428 56 1H5* G 6 1H5' G 6 -1.373 11.189 13.845 57 2H5* G 6 2H5' G 6 -1.645 11.985 15.399 58 H4* G 6 H4' G 6 -3.643 10.750 14.680 59 H3* G 6 H3' G 6 -2.375 10.536 17.246 60 1H2* G 6 1H2' G 6 -3.592 8.094 17.562 61 2H2* G 6 2H2' G 6 -1.911 8.254 16.978 62 H1* G 6 H1' G 6 -4.442 8.085 15.296 63 H8 G 6 H8 G 6 -0.786 6.803 14.890 64 H1 G 6 H1 G 6 -5.197 2.153 14.774 65 1H2 G 6 1H2 G 6 -7.494 4.769 15.281 66 2H2 G 6 2H2 G 6 -7.259 3.045 15.080 67 1H5* A 7 1H5' A 7 -6.866 9.019 16.638 68 2H5* A 7 2H5' A 7 -7.774 9.757 17.974 69 H4* A 7 H4' A 7 -8.699 7.558 17.519 70 H3* A 7 H3' A 7 -7.721 8.319 20.105 71 1H2* A 7 1H2' A 7 -7.319 5.650 20.662 72 2H2* A 7 2H2' A 7 -6.003 6.703 20.071 73 H1* A 7 H1' A 7 -7.879 4.966 18.404 74 H8 A 7 H8 A 7 -4.109 6.042 18.470 75 1H6 A 7 1H6 A 7 -2.878 0.072 17.411 76 2H6 A 7 2H6 A 7 -2.204 1.684 17.554 77 H2 A 7 H2 A 7 -7.292 0.485 17.958 78 1H5* A 8 1H5' A 8 -10.531 4.449 19.733 79 2H5* A 8 2H5' A 8 -11.672 4.533 21.092 80 H4* A 8 H4' A 8 -10.998 2.231 20.718 81 H3* A 8 H3' A 8 -10.607 3.566 23.267 82 1H2* A 8 1H2' A 8 -8.763 1.568 23.847 83 2H2* A 8 2H2' A 8 -8.294 3.183 23.240 84 H1* A 8 H1' A 8 -8.889 0.697 21.595 85 H8 A 8 H8 A 8 -6.312 3.657 21.538 86 1H6 A 8 1H6 A 8 -2.116 -0.771 20.413 87 2H6 A 8 2H6 A 8 -2.391 0.957 20.530 88 H2 A 8 H2 A 8 -6.042 -2.748 21.205 89 1H5* G 9 1H5' G 9 -10.542 -0.024 26.877 90 2H5* G 9 2H5' G 9 -9.248 0.831 26.009 91 H4* G 9 H4' G 9 -9.697 -2.194 26.035 92 H3* G 9 H3' G 9 -7.642 -0.363 27.334 93 1H2* G 9 1H2' G 9 -7.376 -3.358 26.913 94 2H2* G 9 2H2' G 9 -6.131 -2.087 27.132 95 H1* G 9 H1' G 9 -7.139 -3.147 24.769 96 H8 G 9 H8 G 9 -6.182 0.578 24.562 97 H1 G 9 H1 G 9 -1.400 -3.605 23.485 98 1H2 G 9 1H2 G 9 -3.740 -5.999 24.503 99 2H2 G 9 2H2 G 9 -2.100 -5.688 23.980 100 1H5* C 10 1H5' C 10 -7.851 -4.673 28.754 101 2H5* C 10 2H5' C 10 -7.487 -4.755 30.483 102 H4* C 10 H4' C 10 -6.180 -6.419 29.213 103 H3* C 10 H3' C 10 -4.544 -4.156 30.453 104 1H2* C 10 1H2' C 10 -3.572 -6.889 29.565 105 2H2* C 10 2H2' C 10 -2.615 -5.399 29.779 106 H1* C 10 H1' C 10 -3.803 -6.363 27.378 107 1H4 C 10 1H4 C 10 -0.723 -0.573 26.107 108 2H4 C 10 2H4 C 10 0.495 -1.793 25.830 109 H5 C 10 H5 C 10 -2.933 -1.066 27.042 110 H6 C 10 H6 C 10 -4.394 -2.827 27.768 111 H3T C 10 3HO' C 1 -5.729 -5.609 31.853 112 1H5* G 1 H5' G 1 11.281 -6.474 26.267 113 2H5* G 1 2H5' G 1 9.714 -4.659 24.743 114 H4* G 1 H4' G 1 9.228 -7.523 25.704 115 H3* G 1 H3' G 1 7.722 -5.752 23.750 116 1H2* G 1 H2' G 1 5.716 -6.906 24.440 117 2HO* G 1 2HO' G 1 7.503 -8.686 25.771 118 H1* G 1 H1' G 1 6.368 -6.825 27.119 119 H8 G 1 H8 G 1 7.368 -3.518 25.529 120 H1 G 1 H1 G 1 1.045 -4.114 26.543 121 1H2 G 1 1H2 G 1 1.813 -7.467 27.190 122 2H2 G 1 2H2 G 1 0.561 -6.252 27.059 123 1H5* C 2 1H5' C 2 5.007 -8.795 20.684 124 2H5* C 2 2H5' C 2 4.781 -7.199 21.430 125 H4* C 2 H4' C 2 3.826 -9.848 22.608 126 H3* C 2 H3' C 2 2.473 -7.646 21.029 127 1H2* C 2 H2' C 2 0.447 -8.074 22.298 128 2HO* C 2 2HO' C 2 1.913 -10.216 23.451 129 H1* C 2 H1' C 2 1.721 -7.956 24.697 130 1H4 C 2 1H4 C 2 2.016 -1.658 22.605 131 2H4 C 2 2H4 C 2 0.316 -1.891 22.929 132 H5 C 2 H5 C 2 3.676 -3.465 22.750 133 H6 C 2 H6 C 2 3.999 -5.794 23.169 134 1H5* U 3 1H5' U 3 -0.509 -10.563 21.198 135 2H5* U 3 2H5' U 3 -1.144 -10.905 19.577 136 H4* U 3 H4' U 3 -2.923 -10.236 21.151 137 H3* U 3 H3' U 3 -2.337 -8.277 18.895 138 1H2* U 3 H2' U 3 -4.354 -7.140 19.610 139 2HO* U 3 2HO' U 3 -4.717 -9.326 21.386 140 H1* U 3 H1' U 3 -3.679 -7.241 22.256 141 H3 U 3 H3 U 3 -3.302 -2.945 20.658 142 H5 U 3 H5 U 3 0.491 -4.698 20.171 143 H6 U 3 H6 U 3 -0.475 -6.821 20.686 144 1H5* U 4 1H5' U 4 -6.615 -9.162 18.811 145 2H5* U 4 2H5' U 4 -7.178 -9.237 17.133 146 H4* U 4 H4' U 4 -8.406 -7.569 18.542 147 H3* U 4 H3' U 4 -6.786 -6.455 16.215 148 1H2* U 4 H2' U 4 -7.976 -4.368 16.710 149 2HO* U 4 2HO' U 4 -9.963 -5.591 17.308 150 H1* U 4 H1' U 4 -7.550 -4.614 19.420 151 H3 U 4 H3 U 4 -5.005 -1.148 17.862 152 H5 U 4 H5 U 4 -2.650 -4.594 17.297 153 H6 U 4 H6 U 4 -4.570 -5.926 17.804 154 1H5* C 5 1H5' C 5 -10.950 -4.877 15.817 155 2H5* C 5 2H5' C 5 -11.330 -4.861 14.091 156 H4* C 5 H4' C 5 -11.574 -2.618 15.211 157 H3* C 5 H3' C 5 -9.498 -2.917 13.005 158 1H2* C 5 H2' C 5 -9.269 -0.536 13.120 159 2HO* C 5 2HO' C 5 -10.709 0.739 14.262 160 H1* C 5 H1' C 5 -9.457 -0.459 15.924 161 1H4 C 5 1H4 C 5 -3.066 -1.495 14.502 162 2H4 C 5 2H4 C 5 -3.291 0.243 14.506 163 H5 C 5 H5 C 5 -4.974 -3.069 14.629 164 H6 C 5 H6 C 5 -7.346 -3.235 14.913 165 1H5* U 6 1H5' U 6 -11.126 0.501 9.388 166 2H5* U 6 2H5' U 6 -9.559 -0.020 10.046 167 H4* U 6 H4' U 6 -11.212 2.331 11.076 168 H3* U 6 H3' U 6 -8.743 2.101 9.329 169 1H2* U 6 H2' U 6 -8.018 4.230 10.278 170 2HO* U 6 2HO' U 6 -10.253 5.026 10.454 171 H1* U 6 H1' U 6 -8.430 3.395 12.843 172 H3 U 6 H3 U 6 -3.930 3.084 11.771 173 H5 U 6 H5 U 6 -5.563 -0.770 11.404 174 H6 U 6 H6 U 6 -7.745 0.180 11.572 175 1H5* C 7 1H5' C 7 -9.619 6.191 8.958 176 2H5* C 7 2H5' C 7 -9.676 6.631 7.241 177 H4* C 7 H4' C 7 -8.016 7.985 8.506 178 H3* C 7 H3' C 7 -6.923 6.067 6.409 179 1H2* C 7 H2' C 7 -4.799 7.147 6.764 180 2HO* C 7 2HO' C 7 -5.600 9.289 6.956 181 H1* C 7 H1' C 7 -5.071 7.186 9.522 182 1H4 C 7 1H4 C 7 -2.945 1.046 8.524 183 2H4 C 7 2H4 C 7 -1.509 2.046 8.497 184 H5 C 7 H5 C 7 -5.228 1.994 8.508 185 H6 C 7 H6 C 7 -6.494 4.017 8.593 186 1H5* U 8 1H5' U 8 -4.686 9.341 2.925 187 2H5* U 8 2H5' U 8 -4.290 7.712 3.506 188 H4* U 8 H4' U 8 -3.207 10.346 4.609 189 H3* U 8 H3' U 8 -2.067 8.071 2.958 190 1H2* U 8 H2' U 8 0.077 8.465 4.025 191 2HO* U 8 2HO' U 8 -0.258 10.800 4.127 192 H1* U 8 H1' U 8 -0.960 8.476 6.534 193 H3 U 8 H3 U 8 0.898 4.328 5.796 194 H5 U 8 H5 U 8 -3.252 3.962 5.194 195 H6 U 8 H6 U 8 -3.420 6.336 5.182 196 1H5* U 9 1H5' U 9 1.084 10.920 2.628 197 2H5* U 9 2H5' U 9 1.558 11.037 0.922 198 H4* U 9 H4' U 9 3.451 10.333 2.367 199 H3* U 9 H3' U 9 2.410 8.235 0.420 200 1H2* U 9 H2' U 9 4.373 6.962 1.051 201 2HO* U 9 2HO' U 9 5.939 7.862 2.392 202 H1* U 9 H1' U 9 4.057 7.487 3.737 203 H3 U 9 H3 U 9 3.151 3.059 3.122 204 H5 U 9 H5 U 9 -0.469 5.050 2.304 205 H6 U 9 H6 U 9 0.719 7.122 2.341 206 1H5* C 10 1H5' C 10 6.738 8.664 -0.234 207 2H5* C 10 2H5' C 10 7.066 8.526 -1.972 208 H4* C 10 H4' C 10 8.322 6.844 -0.631 209 H3* C 10 H3' C 10 6.184 5.736 -2.511 210 1H2* C 10 H2' C 10 7.083 3.578 -1.996 211 2HO* C 10 2HO' C 10 9.288 4.549 -2.088 212 H1* C 10 H1' C 10 7.478 4.195 0.736 213 1H4 C 10 1H4 C 10 1.170 2.164 0.032 214 2H4 C 10 2H4 C 10 2.112 0.736 0.410 215 H5 C 10 H5 C 10 2.229 4.349 -0.474 216 H6 C 10 H6 C 10 4.310 5.528 -0.553 217 H3T C 10 3HO' C 10 8.109 5.368 -3.759 No H/Q in entry = 217 Start of MODEL 8 1 1H5* G 1 H5' G 1 3.903 -10.335 0.382 2 2H5* G 1 2H5' G 1 3.806 -9.905 2.637 3 H4* G 1 H4' G 1 6.301 -8.925 1.157 4 H3* G 1 H3' G 1 4.958 -7.974 3.704 5 1H2* G 1 1H2' G 1 6.877 -6.412 1.933 6 2H2* G 1 2H2' G 1 5.685 -5.787 3.099 7 H1* G 1 H1' G 1 5.423 -6.172 0.374 8 H8 G 1 H8 G 1 2.188 -6.887 2.320 9 H1 G 1 H1 G 1 3.094 -0.826 0.327 10 1H2 G 1 1H2 G 1 6.348 -1.954 -0.362 11 2H2 G 1 2H2 G 1 5.242 -0.599 -0.370 12 1H5* A 2 1H5' A 2 8.866 -5.942 2.798 13 2H5* A 2 2H5' A 2 9.837 -5.950 4.274 14 H4* A 2 H4' A 2 9.830 -3.720 3.288 15 H3* A 2 H3' A 2 9.171 -4.320 6.003 16 1H2* A 2 1H2' A 2 7.777 -1.953 6.131 17 2H2* A 2 2H2' A 2 6.977 -3.516 5.800 18 H1* A 2 H1' A 2 8.031 -1.503 3.774 19 H8 A 2 H8 A 2 5.052 -3.994 3.825 20 1H6 A 2 1H6 A 2 1.340 0.847 3.254 21 2H6 A 2 2H6 A 2 1.464 -0.893 3.392 22 H2 A 2 H2 A 2 5.542 2.391 3.290 23 1H5* A 3 1H5' A 3 10.172 0.188 4.855 24 2H5* A 3 2H5' A 3 11.306 0.776 6.090 25 H4* A 3 H4' A 3 9.750 2.540 5.486 26 H3* A 3 H3' A 3 9.979 1.541 8.231 27 1H2* A 3 1H2' A 3 7.604 2.954 8.652 28 2H2* A 3 2H2' A 3 7.702 1.189 8.416 29 H1* A 3 H1' A 3 7.285 3.308 6.266 30 H8 A 3 H8 A 3 6.063 -0.341 6.996 31 1H6 A 3 1H6 A 3 0.365 1.900 6.119 32 2H6 A 3 2H6 A 3 1.325 0.470 6.440 33 H2 A 3 H2 A 3 3.240 5.322 5.865 34 1H5* G 4 1H5' G 4 8.555 5.978 7.362 35 2H5* G 4 2H5' G 4 9.301 7.033 8.581 36 H4* G 4 H4' G 4 7.023 7.743 8.153 37 H3* G 4 H3' G 4 7.915 6.954 10.819 38 1H2* G 4 1H2' G 4 5.208 6.776 11.448 39 2H2* G 4 2H2' G 4 6.220 5.369 11.025 40 H1* G 4 H1' G 4 4.589 7.082 9.105 41 H8 G 4 H8 G 4 5.407 3.284 9.675 42 H1 G 4 H1 G 4 -0.825 4.672 8.932 43 1H2 G 4 1H2 G 4 0.290 8.010 8.953 44 2H2 G 4 2H2 G 4 -1.088 6.933 8.901 45 1H5* A 5 1H5' A 5 4.209 9.918 10.229 46 2H5* A 5 2H5' A 5 4.357 11.172 11.480 47 H4* A 5 H4' A 5 2.023 10.584 11.171 48 H3* A 5 H3' A 5 3.365 10.266 13.759 49 1H2* A 5 1H2' A 5 1.098 8.773 14.434 50 2H2* A 5 2H2' A 5 2.674 8.075 13.979 51 H1* A 5 H1' A 5 0.340 8.706 12.124 52 H8 A 5 H8 A 5 3.110 5.964 12.563 53 1H6 A 5 1H6 A 5 -1.501 1.887 11.942 54 2H6 A 5 2H6 A 5 0.228 2.099 12.131 55 H2 A 5 H2 A 5 -3.282 5.988 11.890 56 1H5* G 6 1H5' G 6 -1.304 11.083 13.459 57 2H5* G 6 2H5' G 6 -1.750 12.172 14.790 58 H4* G 6 H4' G 6 -3.482 10.509 14.460 59 H3* G 6 H3' G 6 -2.107 10.810 17.014 60 1H2* G 6 1H2' G 6 -3.104 8.294 17.640 61 2H2* G 6 2H2' G 6 -1.450 8.570 17.031 62 H1* G 6 H1' G 6 -3.934 8.008 15.358 63 H8 G 6 H8 G 6 -0.166 6.911 15.528 64 H1 G 6 H1 G 6 -4.409 2.126 14.876 65 1H2 G 6 1H2 G 6 -6.798 4.690 15.213 66 2H2 G 6 2H2 G 6 -6.518 2.971 15.048 67 1H5* A 7 1H5' A 7 -6.499 8.933 16.624 68 2H5* A 7 2H5' A 7 -7.433 9.651 17.952 69 H4* A 7 H4' A 7 -8.200 7.377 17.596 70 H3* A 7 H3' A 7 -7.216 8.284 20.139 71 1H2* A 7 1H2' A 7 -6.629 5.665 20.758 72 2H2* A 7 2H2' A 7 -5.397 6.784 20.104 73 H1* A 7 H1' A 7 -7.205 4.897 18.525 74 H8 A 7 H8 A 7 -3.468 6.118 18.657 75 1H6 A 7 1H6 A 7 -1.996 0.192 17.704 76 2H6 A 7 2H6 A 7 -1.387 1.819 17.936 77 H2 A 7 H2 A 7 -6.461 0.487 17.859 78 1H5* A 8 1H5' A 8 -10.280 4.422 19.958 79 2H5* A 8 2H5' A 8 -11.103 4.393 21.532 80 H4* A 8 H4' A 8 -10.581 2.125 20.783 81 H3* A 8 H3' A 8 -8.903 3.045 23.143 82 1H2* A 8 1H2' A 8 -9.421 0.199 22.198 83 2H2* A 8 2H2' A 8 -8.077 0.812 23.189 84 H1* A 8 H1' A 8 -8.184 0.407 20.445 85 H8 A 8 H8 A 8 -6.123 3.492 21.480 86 1H6 A 8 1H6 A 8 -1.335 -0.433 20.879 87 2H6 A 8 2H6 A 8 -1.787 1.250 21.099 88 H2 A 8 H2 A 8 -5.097 -2.805 20.756 89 1H5* G 9 1H5' G 9 -10.879 -0.926 23.462 90 2H5* G 9 2H5' G 9 -11.461 -1.226 25.104 91 H4* G 9 H4' G 9 -10.086 -3.091 24.216 92 H3* G 9 H3' G 9 -9.735 -1.790 26.783 93 1H2* G 9 1H2' G 9 -7.204 -2.905 26.820 94 2H2* G 9 2H2' G 9 -7.526 -1.220 26.335 95 H1* G 9 H1' G 9 -7.370 -3.657 24.511 96 H8 G 9 H8 G 9 -6.402 0.096 24.113 97 H1 G 9 H1 G 9 -1.393 -3.890 23.869 98 1H2 G 9 1H2 G 9 -3.792 -6.399 24.471 99 2H2 G 9 2H2 G 9 -2.097 -6.020 24.249 100 1H5* C 10 1H5' C 10 -7.908 -6.056 26.103 101 2H5* C 10 2H5' C 10 -8.309 -7.078 27.500 102 H4* C 10 H4' C 10 -6.030 -7.519 26.693 103 H3* C 10 H3' C 10 -6.621 -6.808 29.457 104 1H2* C 10 1H2' C 10 -3.935 -6.199 29.676 105 2H2* C 10 2H2' C 10 -5.196 -4.954 29.422 106 H1* C 10 H1' C 10 -3.622 -6.443 27.272 107 1H4 C 10 1H4 C 10 -1.905 0.046 26.849 108 2H4 C 10 2H4 C 10 -0.448 -0.898 26.612 109 H5 C 10 H5 C 10 -4.080 -0.997 27.427 110 H6 C 10 H6 C 10 -5.206 -3.098 27.769 111 H3T C 10 3HO' C 1 -4.917 -8.315 29.760 112 1H5* G 1 H5' G 1 9.880 -2.384 27.079 113 2H5* G 1 2H5' G 1 8.726 -2.634 25.108 114 H4* G 1 H4' G 1 9.200 -5.173 26.745 115 H3* G 1 H3' G 1 7.083 -4.431 24.705 116 1H2* G 1 H2' G 1 5.533 -5.816 25.977 117 2HO* G 1 2HO' G 1 7.825 -6.530 27.508 118 H1* G 1 H1' G 1 6.216 -4.699 28.356 119 H8 G 1 H8 G 1 6.595 -1.707 26.178 120 H1 G 1 H1 G 1 0.454 -3.418 26.984 121 1H2 G 1 1H2 G 1 1.813 -6.464 28.090 122 2H2 G 1 2H2 G 1 0.360 -5.555 27.736 123 1H5* C 2 1H5' C 2 6.194 -8.479 25.400 124 2H5* C 2 2H5' C 2 6.079 -9.329 23.849 125 H4* C 2 H4' C 2 4.000 -9.566 25.180 126 H3* C 2 H3' C 2 3.804 -7.947 22.612 127 1H2* C 2 H2' C 2 1.431 -7.947 22.949 128 2HO* C 2 2HO' C 2 1.266 -10.144 23.611 129 H1* C 2 H1' C 2 1.612 -7.547 25.696 130 1H4 C 2 1H4 C 2 1.992 -1.527 22.932 131 2H4 C 2 2H4 C 2 0.286 -1.889 23.122 132 H5 C 2 H5 C 2 3.751 -3.215 23.423 133 H6 C 2 H6 C 2 4.145 -5.451 24.178 134 1H5* U 3 1H5' U 3 0.728 -10.238 19.414 135 2H5* U 3 2H5' U 3 1.089 -8.578 19.933 136 H4* U 3 H4' U 3 -1.223 -10.284 20.974 137 H3* U 3 H3' U 3 -0.989 -8.071 18.914 138 1H2* U 3 H2' U 3 -3.209 -7.356 19.540 139 2HO* U 3 2HO' U 3 -4.082 -9.456 19.831 140 H1* U 3 H1' U 3 -2.704 -7.474 22.226 141 H3 U 3 H3 U 3 -2.739 -3.089 20.685 142 H5 U 3 H5 U 3 1.278 -4.322 20.728 143 H6 U 3 H6 U 3 0.554 -6.550 21.192 144 1H5* U 4 1H5' U 4 -5.024 -8.686 15.696 145 2H5* U 4 2H5' U 4 -4.001 -7.303 16.123 146 H4* U 4 H4' U 4 -6.649 -8.091 17.414 147 H3* U 4 H3' U 4 -5.701 -5.897 15.559 148 1H2* U 4 H2' U 4 -7.193 -4.338 16.614 149 2HO* U 4 2HO' U 4 -8.148 -6.586 18.063 150 H1* U 4 H1' U 4 -6.420 -4.953 19.141 151 H3 U 4 H3 U 4 -4.195 -1.147 17.663 152 H5 U 4 H5 U 4 -1.501 -4.374 17.477 153 H6 U 4 H6 U 4 -3.320 -5.865 17.832 154 1H5* C 5 1H5' C 5 -9.763 -5.053 15.429 155 2H5* C 5 2H5' C 5 -10.299 -4.900 13.742 156 H4* C 5 H4' C 5 -10.672 -2.809 15.022 157 H3* C 5 H3' C 5 -8.531 -2.641 12.864 158 1H2* C 5 H2' C 5 -8.566 -0.263 13.296 159 2HO* C 5 2HO' C 5 -10.077 0.635 14.692 160 H1* C 5 H1' C 5 -8.570 -0.588 16.029 161 1H4 C 5 1H4 C 5 -2.239 -1.441 14.300 162 2H4 C 5 2H4 C 5 -2.473 0.289 14.431 163 H5 C 5 H5 C 5 -4.126 -3.043 14.393 164 H6 C 5 H6 C 5 -6.480 -3.255 14.746 165 1H5* U 6 1H5' U 6 -11.466 0.609 12.265 166 2H5* U 6 2H5' U 6 -11.646 0.930 10.533 167 H4* U 6 H4' U 6 -10.940 2.935 11.885 168 H3* U 6 H3' U 6 -9.006 1.923 9.766 169 1H2* U 6 H2' U 6 -7.792 3.977 10.204 170 2HO* U 6 2HO' U 6 -8.638 5.559 11.542 171 H1* U 6 H1' U 6 -8.048 3.751 12.941 172 H3 U 6 H3 U 6 -3.638 3.203 11.875 173 H5 U 6 H5 U 6 -5.384 -0.586 11.294 174 H6 U 6 H6 U 6 -7.539 0.426 11.534 175 1H5* C 7 1H5' C 7 -9.786 6.237 9.122 176 2H5* C 7 2H5' C 7 -9.726 6.599 7.391 177 H4* C 7 H4' C 7 -8.096 7.921 8.800 178 H3* C 7 H3' C 7 -6.966 6.074 6.666 179 1H2* C 7 H2' C 7 -4.845 7.165 7.146 180 2HO* C 7 2HO' C 7 -4.751 8.921 8.545 181 H1* C 7 H1' C 7 -5.226 7.072 9.878 182 1H4 C 7 1H4 C 7 -2.931 1.047 8.518 183 2H4 C 7 2H4 C 7 -1.526 2.067 8.746 184 H5 C 7 H5 C 7 -5.222 1.975 8.327 185 H6 C 7 H6 C 7 -6.528 3.975 8.477 186 1H5* U 8 1H5' U 8 -5.321 10.182 6.153 187 2H5* U 8 2H5' U 8 -5.194 10.522 4.422 188 H4* U 8 H4' U 8 -3.030 10.810 5.646 189 H3* U 8 H3' U 8 -3.197 8.642 3.521 190 1H2* U 8 H2' U 8 -0.834 8.367 3.786 191 2HO* U 8 2HO' U 8 -0.955 10.819 5.221 192 H1* U 8 H1' U 8 -0.894 8.721 6.567 193 H3 U 8 H3 U 8 0.580 4.451 5.998 194 H5 U 8 H5 U 8 -3.594 4.232 5.485 195 H6 U 8 H6 U 8 -3.665 6.625 5.437 196 1H5* U 9 1H5' U 9 -0.011 9.819 -0.229 197 2H5* U 9 2H5' U 9 -0.492 8.370 0.676 198 H4* U 9 H4' U 9 2.025 10.038 1.146 199 H3* U 9 H3' U 9 1.460 7.311 -0.068 200 1H2* U 9 H2' U 9 3.664 6.645 0.685 201 2HO* U 9 2HO' U 9 4.594 8.784 0.280 202 H1* U 9 H1' U 9 3.271 7.612 3.217 203 H3 U 9 H3 U 9 2.786 3.009 3.184 204 H5 U 9 H5 U 9 -1.079 4.640 2.705 205 H6 U 9 H6 U 9 -0.091 6.775 2.346 206 1H5* C 10 1H5' C 10 5.420 7.800 -1.304 207 2H5* C 10 2H5' C 10 5.562 7.366 -3.019 208 H4* C 10 H4' C 10 6.973 5.931 -1.549 209 H3* C 10 H3' C 10 4.659 4.535 -2.972 210 1H2* C 10 H2' C 10 5.630 2.490 -2.189 211 2HO* C 10 2HO' C 10 7.807 3.409 -2.630 212 H1* C 10 H1' C 10 6.218 3.538 0.362 213 1H4 C 10 1H4 C 10 -0.141 1.529 0.359 214 2H4 C 10 2H4 C 10 0.808 0.098 0.697 215 H5 C 10 H5 C 10 0.891 3.702 -0.264 216 H6 C 10 H6 C 10 2.969 4.850 -0.584 217 H3T C 10 3HO' C 10 6.447 3.925 -4.324 No H/Q in entry = 217 Start of MODEL 9 1 1H5* G 1 H5' G 1 4.264 -9.541 -1.522 2 2H5* G 1 2H5' G 1 2.765 -9.034 0.839 3 H4* G 1 H4' G 1 5.537 -8.133 -0.086 4 H3* G 1 H3' G 1 4.591 -8.581 2.606 5 1H2* G 1 1H2' G 1 4.916 -5.863 3.042 6 2H2* G 1 2H2' G 1 3.344 -6.609 2.646 7 H1* G 1 H1' G 1 5.373 -5.441 0.691 8 H8 G 1 H8 G 1 1.479 -5.623 1.078 9 H1 G 1 H1 G 1 3.835 0.316 0.372 10 1H2 G 1 1H2 G 1 6.963 -1.301 0.449 11 2H2 G 1 2H2 G 1 6.111 0.223 0.348 12 1H5* A 2 1H5' A 2 8.114 -5.495 1.778 13 2H5* A 2 2H5' A 2 9.362 -5.793 3.007 14 H4* A 2 H4' A 2 9.191 -3.415 2.558 15 H3* A 2 H3' A 2 8.772 -4.520 5.229 16 1H2* A 2 1H2' A 2 7.659 -2.038 5.834 17 2H2* A 2 2H2' A 2 6.700 -3.491 5.444 18 H1* A 2 H1' A 2 7.687 -1.375 3.484 19 H8 A 2 H8 A 2 4.479 -3.564 4.012 20 1H6 A 2 1H6 A 2 1.355 1.734 3.302 21 2H6 A 2 2H6 A 2 1.230 -0.005 3.488 22 H2 A 2 H2 A 2 5.720 2.701 3.290 23 1H5* A 3 1H5' A 3 10.242 -0.008 4.664 24 2H5* A 3 2H5' A 3 11.447 0.308 5.932 25 H4* A 3 H4' A 3 10.033 2.258 5.622 26 H3* A 3 H3' A 3 10.237 0.893 8.200 27 1H2* A 3 1H2' A 3 7.961 2.355 8.886 28 2H2* A 3 2H2' A 3 7.939 0.648 8.374 29 H1* A 3 H1' A 3 7.657 3.099 6.583 30 H8 A 3 H8 A 3 6.122 -0.491 6.983 31 1H6 A 3 1H6 A 3 0.645 2.299 6.324 32 2H6 A 3 2H6 A 3 1.478 0.772 6.535 33 H2 A 3 H2 A 3 3.814 5.464 6.266 34 1H5* G 4 1H5' G 4 9.116 5.518 7.923 35 2H5* G 4 2H5' G 4 9.935 6.341 9.268 36 H4* G 4 H4' G 4 7.738 7.290 8.937 37 H3* G 4 H3' G 4 8.519 6.101 11.482 38 1H2* G 4 1H2' G 4 5.805 6.039 12.081 39 2H2* G 4 2H2' G 4 6.704 4.630 11.456 40 H1* G 4 H1' G 4 5.249 6.736 9.802 41 H8 G 4 H8 G 4 5.665 2.831 9.899 42 H1 G 4 H1 G 4 -0.370 4.966 9.284 43 1H2 G 4 1H2 G 4 1.099 8.133 9.711 44 2H2 G 4 2H2 G 4 -0.387 7.227 9.534 45 1H5* A 5 1H5' A 5 5.067 9.376 11.183 46 2H5* A 5 2H5' A 5 5.261 10.473 12.567 47 H4* A 5 H4' A 5 2.902 10.108 12.101 48 H3* A 5 H3' A 5 4.086 9.481 14.701 49 1H2* A 5 1H2' A 5 1.740 8.042 15.159 50 2H2* A 5 2H2' A 5 3.283 7.307 14.656 51 H1* A 5 H1' A 5 1.048 8.287 12.829 52 H8 A 5 H8 A 5 3.578 5.301 13.081 53 1H6 A 5 1H6 A 5 -1.311 1.678 11.987 54 2H6 A 5 2H6 A 5 0.419 1.737 12.259 55 H2 A 5 H2 A 5 -2.761 5.910 12.219 56 1H5* G 6 1H5' G 6 -0.483 10.507 14.119 57 2H5* G 6 2H5' G 6 -0.991 11.554 15.461 58 H4* G 6 H4' G 6 -2.785 10.035 14.856 59 H3* G 6 H3' G 6 -1.656 10.103 17.553 60 1H2* G 6 1H2' G 6 -2.963 7.670 17.914 61 2H2* G 6 2H2' G 6 -1.226 7.819 17.537 62 H1* G 6 H1' G 6 -3.509 7.529 15.538 63 H8 G 6 H8 G 6 0.163 6.231 15.960 64 H1 G 6 H1 G 6 -4.229 1.667 14.856 65 1H2 G 6 1H2 G 6 -6.534 4.282 15.241 66 2H2 G 6 2H2 G 6 -6.299 2.564 14.997 67 1H5* A 7 1H5' A 7 -6.052 8.614 16.589 68 2H5* A 7 2H5' A 7 -7.098 9.403 17.788 69 H4* A 7 H4' A 7 -8.007 7.211 17.290 70 H3* A 7 H3' A 7 -7.304 8.012 19.954 71 1H2* A 7 1H2' A 7 -7.024 5.347 20.605 72 2H2* A 7 2H2' A 7 -5.627 6.359 20.137 73 H1* A 7 H1' A 7 -7.363 4.637 18.310 74 H8 A 7 H8 A 7 -3.590 5.572 18.868 75 1H6 A 7 1H6 A 7 -2.441 -0.379 17.635 76 2H6 A 7 2H6 A 7 -1.739 1.189 17.978 77 H2 A 7 H2 A 7 -6.878 0.180 17.689 78 1H5* A 8 1H5' A 8 -10.226 4.225 19.335 79 2H5* A 8 2H5' A 8 -11.453 4.331 20.616 80 H4* A 8 H4' A 8 -10.795 2.013 20.288 81 H3* A 8 H3' A 8 -10.451 3.366 22.869 82 1H2* A 8 1H2' A 8 -8.866 1.144 23.489 83 2H2* A 8 2H2' A 8 -8.236 2.749 23.036 84 H1* A 8 H1' A 8 -8.819 0.406 21.177 85 H8 A 8 H8 A 8 -6.185 3.277 21.659 86 1H6 A 8 1H6 A 8 -1.932 -1.106 20.680 87 2H6 A 8 2H6 A 8 -2.212 0.596 20.995 88 H2 A 8 H2 A 8 -5.955 -3.060 20.635 89 1H5* G 9 1H5' G 9 -11.190 -1.311 22.557 90 2H5* G 9 2H5' G 9 -12.187 -1.817 23.938 91 H4* G 9 H4' G 9 -10.472 -3.482 23.468 92 H3* G 9 H3' G 9 -10.717 -2.197 26.070 93 1H2* G 9 1H2' G 9 -8.127 -3.048 26.553 94 2H2* G 9 2H2' G 9 -8.519 -1.404 25.983 95 H1* G 9 H1' G 9 -7.910 -3.829 24.240 96 H8 G 9 H8 G 9 -6.969 -0.016 24.457 97 H1 G 9 H1 G 9 -2.030 -4.041 23.636 98 1H2 G 9 1H2 G 9 -4.477 -6.537 23.969 99 2H2 G 9 2H2 G 9 -2.770 -6.175 23.828 100 1H5* C 10 1H5' C 10 -8.630 -6.381 25.417 101 2H5* C 10 2H5' C 10 -9.116 -7.470 26.734 102 H4* C 10 H4' C 10 -6.791 -7.872 26.034 103 H3* C 10 H3' C 10 -7.553 -7.329 28.794 104 1H2* C 10 1H2' C 10 -4.881 -6.757 29.212 105 2H2* C 10 2H2' C 10 -6.124 -5.492 28.970 106 H1* C 10 H1' C 10 -4.419 -6.836 26.823 107 1H4 C 10 1H4 C 10 -2.731 -0.327 26.930 108 2H4 C 10 2H4 C 10 -1.262 -1.252 26.688 109 H5 C 10 H5 C 10 -4.928 -1.414 27.330 110 H6 C 10 H6 C 10 -6.061 -3.539 27.434 111 H3T C 10 3HO' C 1 -5.877 -8.866 29.108 112 1H5* G 1 H5' G 1 9.094 -2.734 26.140 113 2H5* G 1 2H5' G 1 7.898 -3.011 24.197 114 H4* G 1 H4' G 1 8.327 -5.508 25.913 115 H3* G 1 H3' G 1 6.157 -4.771 23.918 116 1H2* G 1 H2' G 1 4.690 -6.178 25.288 117 2HO* G 1 2HO' G 1 6.435 -7.719 25.766 118 H1* G 1 H1' G 1 5.498 -5.003 27.610 119 H8 G 1 H8 G 1 5.642 -2.061 25.331 120 H1 G 1 H1 G 1 -0.381 -3.805 26.730 121 1H2 G 1 1H2 G 1 1.082 -6.829 27.737 122 2H2 G 1 2H2 G 1 -0.399 -5.929 27.487 123 1H5* C 2 1H5' C 2 5.428 -8.921 24.525 124 2H5* C 2 2H5' C 2 5.119 -9.701 22.964 125 H4* C 2 H4' C 2 3.226 -9.936 24.587 126 H3* C 2 H3' C 2 2.686 -8.352 22.043 127 1H2* C 2 H2' C 2 0.375 -8.330 22.738 128 2HO* C 2 2HO' C 2 0.244 -10.454 23.539 129 H1* C 2 H1' C 2 0.959 -7.746 25.356 130 1H4 C 2 1H4 C 2 1.339 -1.829 22.460 131 2H4 C 2 2H4 C 2 -0.350 -2.077 22.851 132 H5 C 2 H5 C 2 3.039 -3.614 22.740 133 H6 C 2 H6 C 2 3.394 -5.858 23.474 134 1H5* U 3 1H5' U 3 0.085 -10.208 18.590 135 2H5* U 3 2H5' U 3 0.108 -8.461 18.853 136 H4* U 3 H4' U 3 -1.678 -10.526 20.199 137 H3* U 3 H3' U 3 -2.065 -8.141 18.396 138 1H2* U 3 H2' U 3 -4.156 -7.650 19.472 139 2HO* U 3 2HO' U 3 -3.725 -10.075 20.890 140 H1* U 3 H1' U 3 -3.166 -7.767 21.984 141 H3 U 3 H3 U 3 -3.244 -3.369 20.372 142 H5 U 3 H5 U 3 0.739 -4.720 20.282 143 H6 U 3 H6 U 3 -0.032 -6.913 20.802 144 1H5* U 4 1H5' U 4 -5.946 -9.509 18.421 145 2H5* U 4 2H5' U 4 -6.538 -9.719 16.760 146 H4* U 4 H4' U 4 -7.917 -8.090 18.029 147 H3* U 4 H3' U 4 -6.268 -6.959 15.735 148 1H2* U 4 H2' U 4 -7.455 -4.898 16.087 149 2HO* U 4 2HO' U 4 -9.519 -5.839 16.465 150 H1* U 4 H1' U 4 -7.290 -5.041 18.842 151 H3 U 4 H3 U 4 -4.678 -1.541 17.444 152 H5 U 4 H5 U 4 -2.216 -4.948 17.178 153 H6 U 4 H6 U 4 -4.130 -6.308 17.603 154 1H5* C 5 1H5' C 5 -9.677 -5.038 12.376 155 2H5* C 5 2H5' C 5 -8.030 -4.631 12.897 156 H4* C 5 H4' C 5 -10.614 -3.459 14.031 157 H3* C 5 H3' C 5 -8.442 -2.475 12.161 158 1H2* C 5 H2' C 5 -8.715 -0.257 13.059 159 2HO* C 5 2HO' C 5 -10.997 -0.338 13.258 160 H1* C 5 H1' C 5 -8.697 -1.063 15.663 161 1H4 C 5 1H4 C 5 -2.327 -1.786 14.044 162 2H4 C 5 2H4 C 5 -2.541 -0.058 14.208 163 H5 C 5 H5 C 5 -4.204 -3.376 14.136 164 H6 C 5 H6 C 5 -6.560 -3.594 14.408 165 1H5* U 6 1H5' U 6 -10.627 1.324 9.340 166 2H5* U 6 2H5' U 6 -8.950 0.888 9.720 167 H4* U 6 H4' U 6 -10.732 2.832 11.257 168 H3* U 6 H3' U 6 -8.308 3.035 9.455 169 1H2* U 6 H2' U 6 -7.467 4.861 10.764 170 2HO* U 6 2HO' U 6 -8.688 5.679 12.496 171 H1* U 6 H1' U 6 -7.814 3.614 13.151 172 H3 U 6 H3 U 6 -3.382 3.211 11.886 173 H5 U 6 H5 U 6 -5.281 -0.466 11.119 174 H6 U 6 H6 U 6 -7.384 0.595 11.443 175 1H5* C 7 1H5' C 7 -9.053 7.065 9.933 176 2H5* C 7 2H5' C 7 -9.150 7.860 8.348 177 H4* C 7 H4' C 7 -7.348 8.836 9.740 178 H3* C 7 H3' C 7 -6.435 7.251 7.305 179 1H2* C 7 H2' C 7 -4.229 8.080 7.782 180 2HO* C 7 2HO' C 7 -4.857 10.217 8.341 181 H1* C 7 H1' C 7 -4.468 7.690 10.517 182 1H4 C 7 1H4 C 7 -2.828 1.662 8.422 183 2H4 C 7 2H4 C 7 -1.320 2.515 8.665 184 H5 C 7 H5 C 7 -5.023 2.801 8.489 185 H6 C 7 H6 C 7 -6.124 4.875 8.935 186 1H5* U 8 1H5' U 8 -4.009 10.727 4.290 187 2H5* U 8 2H5' U 8 -3.794 9.001 4.640 188 H4* U 8 H4' U 8 -2.371 11.323 6.022 189 H3* U 8 H3' U 8 -1.559 9.169 4.045 190 1H2* U 8 H2' U 8 0.654 9.191 5.047 191 2HO* U 8 2HO' U 8 0.571 11.523 5.455 192 H1* U 8 H1' U 8 -0.297 9.000 7.586 193 H3 U 8 H3 U 8 1.090 4.811 6.271 194 H5 U 8 H5 U 8 -3.081 4.952 5.726 195 H6 U 8 H6 U 8 -3.003 7.310 6.047 196 1H5* U 9 1H5' U 9 1.900 11.618 3.943 197 2H5* U 9 2H5' U 9 2.303 11.952 2.248 198 H4* U 9 H4' U 9 4.164 10.832 3.436 199 H3* U 9 H3' U 9 2.787 9.220 1.252 200 1H2* U 9 H2' U 9 4.532 7.600 1.526 201 2HO* U 9 2HO' U 9 5.810 9.573 3.128 202 H1* U 9 H1' U 9 4.539 7.777 4.304 203 H3 U 9 H3 U 9 3.059 3.589 3.252 204 H5 U 9 H5 U 9 -0.344 6.058 3.003 205 H6 U 9 H6 U 9 1.082 7.964 3.196 206 1H5* C 10 1H5' C 10 6.233 8.370 -2.446 207 2H5* C 10 2H5' C 10 4.864 7.490 -1.735 208 H4* C 10 H4' C 10 7.805 7.179 -0.977 209 H3* C 10 H3' C 10 5.795 5.471 -2.498 210 1H2* C 10 H2' C 10 6.885 3.517 -1.635 211 2HO* C 10 2HO' C 10 8.996 4.650 -1.805 212 H1* C 10 H1' C 10 6.969 4.448 0.968 213 1H4 C 10 1H4 C 10 0.558 2.977 0.247 214 2H4 C 10 2H4 C 10 1.366 1.429 0.388 215 H5 C 10 H5 C 10 1.808 5.100 -0.009 216 H6 C 10 H6 C 10 3.981 6.080 -0.061 217 H3T C 10 3HO' C 10 7.485 6.588 -3.639 No H/Q in entry = 217 Start of MODEL 10 1 1H5* G 1 H5' G 1 3.819 -9.219 2.407 2 2H5* G 1 2H5' G 1 5.440 -10.321 1.207 3 H4* G 1 H4' G 1 6.684 -8.304 0.450 4 H3* G 1 H3' G 1 5.760 -8.724 3.132 5 1H2* G 1 1H2' G 1 5.792 -5.986 3.487 6 2H2* G 1 2H2' G 1 4.308 -6.880 3.059 7 H1* G 1 H1' G 1 6.294 -5.567 1.150 8 H8 G 1 H8 G 1 2.422 -6.109 1.424 9 H1 G 1 H1 G 1 4.236 0.011 0.658 10 1H2 G 1 1H2 G 1 7.497 -1.310 0.817 11 2H2 G 1 2H2 G 1 6.510 0.127 0.668 12 1H5* A 2 1H5' A 2 8.961 -5.307 2.236 13 2H5* A 2 2H5' A 2 10.217 -5.451 3.483 14 H4* A 2 H4' A 2 9.820 -3.115 2.971 15 H3* A 2 H3' A 2 9.465 -4.187 5.672 16 1H2* A 2 1H2' A 2 8.159 -1.771 6.179 17 2H2* A 2 2H2' A 2 7.328 -3.314 5.854 18 H1* A 2 H1' A 2 8.122 -1.197 3.811 19 H8 A 2 H8 A 2 5.149 -3.672 4.433 20 1H6 A 2 1H6 A 2 1.498 1.237 3.523 21 2H6 A 2 2H6 A 2 1.557 -0.493 3.795 22 H2 A 2 H2 A 2 5.743 2.645 3.401 23 1H5* A 3 1H5' A 3 10.563 0.347 4.910 24 2H5* A 3 2H5' A 3 11.727 0.862 6.150 25 H4* A 3 H4' A 3 10.133 2.638 5.679 26 H3* A 3 H3' A 3 10.478 1.537 8.367 27 1H2* A 3 1H2' A 3 8.070 2.816 8.952 28 2H2* A 3 2H2' A 3 8.213 1.079 8.578 29 H1* A 3 H1' A 3 7.698 3.337 6.597 30 H8 A 3 H8 A 3 6.478 -0.326 7.315 31 1H6 A 3 1H6 A 3 0.781 1.948 6.476 32 2H6 A 3 2H6 A 3 1.730 0.515 6.820 33 H2 A 3 H2 A 3 3.684 5.332 6.099 34 1H5* G 4 1H5' G 4 8.857 5.820 7.451 35 2H5* G 4 2H5' G 4 9.625 6.974 8.561 36 H4* G 4 H4' G 4 7.337 7.643 8.080 37 H3* G 4 H3' G 4 8.296 7.220 10.783 38 1H2* G 4 1H2' G 4 5.651 6.979 11.547 39 2H2* G 4 2H2' G 4 6.680 5.560 11.194 40 H1* G 4 H1' G 4 4.916 7.080 9.253 41 H8 G 4 H8 G 4 5.785 3.331 9.995 42 H1 G 4 H1 G 4 -0.445 4.676 9.114 43 1H2 G 4 1H2 G 4 0.670 8.012 9.084 44 2H2 G 4 2H2 G 4 -0.707 6.935 9.029 45 1H5* A 5 1H5' A 5 4.900 10.371 13.477 46 2H5* A 5 2H5' A 5 4.956 8.597 13.358 47 H4* A 5 H4' A 5 2.717 10.393 12.286 48 H3* A 5 H3' A 5 3.021 8.518 14.659 49 1H2* A 5 1H2' A 5 0.419 9.512 13.444 50 2H2* A 5 2H2' A 5 0.688 8.074 14.459 51 H1* A 5 H1' A 5 0.599 8.249 11.712 52 H8 A 5 H8 A 5 3.348 5.852 12.761 53 1H6 A 5 1H6 A 5 -1.106 1.537 12.186 54 2H6 A 5 2H6 A 5 0.610 1.796 12.457 55 H2 A 5 H2 A 5 -3.007 5.552 11.865 56 1H5* G 6 1H5' G 6 -0.704 10.989 14.596 57 2H5* G 6 2H5' G 6 -0.979 11.682 16.196 58 H4* G 6 H4' G 6 -3.024 10.637 15.316 59 H3* G 6 H3' G 6 -1.889 10.207 17.904 60 1H2* G 6 1H2' G 6 -3.213 7.815 18.037 61 2H2* G 6 2H2' G 6 -1.509 7.924 17.512 62 H1* G 6 H1' G 6 -3.995 7.950 15.756 63 H8 G 6 H8 G 6 -0.388 6.584 15.330 64 H1 G 6 H1 G 6 -4.892 2.050 14.926 65 1H2 G 6 1H2 G 6 -7.147 4.695 15.472 66 2H2 G 6 2H2 G 6 -6.942 2.976 15.207 67 1H5* A 7 1H5' A 7 -6.373 8.900 16.991 68 2H5* A 7 2H5' A 7 -7.329 9.630 18.297 69 H4* A 7 H4' A 7 -8.326 7.498 17.693 70 H3* A 7 H3' A 7 -7.482 8.119 20.360 71 1H2* A 7 1H2' A 7 -7.240 5.416 20.841 72 2H2* A 7 2H2' A 7 -5.841 6.430 20.384 73 H1* A 7 H1' A 7 -7.654 4.818 18.533 74 H8 A 7 H8 A 7 -3.876 5.811 18.831 75 1H6 A 7 1H6 A 7 -2.691 -0.124 17.568 76 2H6 A 7 2H6 A 7 -2.002 1.470 17.806 77 H2 A 7 H2 A 7 -7.112 0.322 18.010 78 1H5* A 8 1H5' A 8 -10.384 4.398 19.686 79 2H5* A 8 2H5' A 8 -11.619 4.470 20.962 80 H4* A 8 H4' A 8 -10.971 2.163 20.569 81 H3* A 8 H3' A 8 -10.716 3.416 23.185 82 1H2* A 8 1H2' A 8 -8.976 1.344 23.822 83 2H2* A 8 2H2' A 8 -8.427 2.960 23.299 84 H1* A 8 H1' A 8 -8.965 0.547 21.530 85 H8 A 8 H8 A 8 -6.339 3.453 21.790 86 1H6 A 8 1H6 A 8 -2.164 -0.962 20.569 87 2H6 A 8 2H6 A 8 -2.419 0.756 20.809 88 H2 A 8 H2 A 8 -6.143 -2.926 21.094 89 1H5* G 9 1H5' G 9 -11.465 -1.117 26.200 90 2H5* G 9 2H5' G 9 -9.926 -0.221 26.142 91 H4* G 9 H4' G 9 -10.462 -2.953 24.884 92 H3* G 9 H3' G 9 -9.769 -2.279 27.571 93 1H2* G 9 1H2' G 9 -7.305 -3.452 27.166 94 2H2* G 9 2H2' G 9 -7.560 -1.684 27.032 95 H1* G 9 H1' G 9 -7.633 -3.768 24.823 96 H8 G 9 H8 G 9 -6.746 0.012 24.831 97 H1 G 9 H1 G 9 -1.793 -3.867 23.510 98 1H2 G 9 1H2 G 9 -4.037 -6.441 24.315 99 2H2 G 9 2H2 G 9 -2.398 -6.013 23.873 100 1H5* C 10 1H5' C 10 -7.684 -5.936 30.070 101 2H5* C 10 2H5' C 10 -7.139 -4.431 29.295 102 H4* C 10 H4' C 10 -6.129 -7.241 28.616 103 H3* C 10 H3' C 10 -4.898 -4.919 30.176 104 1H2* C 10 1H2' C 10 -3.494 -7.320 28.958 105 2H2* C 10 2H2' C 10 -2.775 -5.753 29.426 106 H1* C 10 H1' C 10 -3.765 -6.475 26.869 107 1H4 C 10 1H4 C 10 -1.747 -0.108 26.650 108 2H4 C 10 2H4 C 10 -0.356 -1.083 26.217 109 H5 C 10 H5 C 10 -3.883 -1.118 27.417 110 H6 C 10 H6 C 10 -5.026 -3.188 27.822 111 H3T C 10 3HO' C 1 -4.274 -6.721 31.502 112 1H5* G 1 H5' G 1 10.929 -4.702 25.796 113 2H5* G 1 2H5' G 1 9.433 -3.525 23.686 114 H4* G 1 H4' G 1 8.918 -5.947 25.491 115 H3* G 1 H3' G 1 7.450 -4.890 23.046 116 1H2* G 1 H2' G 1 5.493 -5.910 23.995 117 2HO* G 1 2HO' G 1 6.498 -7.887 24.607 118 H1* G 1 H1' G 1 6.260 -5.244 26.632 119 H8 G 1 H8 G 1 6.488 -2.109 24.560 120 H1 G 1 H1 G 1 0.490 -3.650 26.284 121 1H2 G 1 1H2 G 1 1.890 -6.793 27.012 122 2H2 G 1 2H2 G 1 0.436 -5.822 26.947 123 1H5* C 2 1H5' C 2 5.070 -8.696 20.746 124 2H5* C 2 2H5' C 2 4.703 -7.021 21.209 125 H4* C 2 H4' C 2 3.875 -9.524 22.755 126 H3* C 2 H3' C 2 2.429 -7.601 20.906 127 1H2* C 2 H2' C 2 0.415 -8.041 22.199 128 2HO* C 2 2HO' C 2 0.965 -10.291 22.577 129 H1* C 2 H1' C 2 1.664 -7.611 24.583 130 1H4 C 2 1H4 C 2 1.369 -1.479 22.099 131 2H4 C 2 2H4 C 2 -0.268 -1.829 22.608 132 H5 C 2 H5 C 2 3.164 -3.168 22.145 133 H6 C 2 H6 C 2 3.694 -5.432 22.668 134 1H5* U 3 1H5' U 3 -0.469 -10.717 21.156 135 2H5* U 3 2H5' U 3 -1.015 -11.098 19.511 136 H4* U 3 H4' U 3 -2.890 -10.394 20.972 137 H3* U 3 H3' U 3 -2.177 -8.459 18.728 138 1H2* U 3 H2' U 3 -4.238 -7.337 19.338 139 2HO* U 3 2HO' U 3 -5.624 -8.214 20.859 140 H1* U 3 H1' U 3 -3.715 -7.467 22.020 141 H3 U 3 H3 U 3 -3.399 -3.127 20.561 142 H5 U 3 H5 U 3 0.405 -4.799 19.890 143 H6 U 3 H6 U 3 -0.493 -6.946 20.440 144 1H5* U 4 1H5' U 4 -6.476 -9.390 18.449 145 2H5* U 4 2H5' U 4 -6.968 -9.390 16.748 146 H4* U 4 H4' U 4 -8.245 -7.789 18.190 147 H3* U 4 H3' U 4 -6.570 -6.590 15.952 148 1H2* U 4 H2' U 4 -7.717 -4.510 16.482 149 2HO* U 4 2HO' U 4 -9.311 -6.070 18.246 150 H1* U 4 H1' U 4 -7.427 -4.856 19.201 151 H3 U 4 H3 U 4 -4.840 -1.333 17.858 152 H5 U 4 H5 U 4 -2.506 -4.752 17.072 153 H6 U 4 H6 U 4 -4.423 -6.103 17.546 154 1H5* C 5 1H5' C 5 -10.661 -4.992 15.622 155 2H5* C 5 2H5' C 5 -11.088 -4.878 13.911 156 H4* C 5 H4' C 5 -11.315 -2.711 15.140 157 H3* C 5 H3' C 5 -9.259 -2.867 12.902 158 1H2* C 5 H2' C 5 -9.014 -0.497 13.151 159 2HO* C 5 2HO' C 5 -11.353 -0.649 14.769 160 H1* C 5 H1' C 5 -9.186 -0.562 15.948 161 1H4 C 5 1H4 C 5 -2.816 -1.613 14.430 162 2H4 C 5 2H4 C 5 -3.015 0.124 14.549 163 H5 C 5 H5 C 5 -4.749 -3.162 14.472 164 H6 C 5 H6 C 5 -7.122 -3.307 14.752 165 1H5* U 6 1H5' U 6 -10.710 0.584 9.403 166 2H5* U 6 2H5' U 6 -9.195 0.020 10.142 167 H4* U 6 H4' U 6 -10.826 2.416 11.102 168 H3* U 6 H3' U 6 -8.321 2.138 9.414 169 1H2* U 6 H2' U 6 -7.611 4.273 10.358 170 2HO* U 6 2HO' U 6 -9.823 5.106 10.448 171 H1* U 6 H1' U 6 -8.106 3.476 12.919 172 H3 U 6 H3 U 6 -3.563 3.182 11.966 173 H5 U 6 H5 U 6 -5.173 -0.674 11.514 174 H6 U 6 H6 U 6 -7.363 0.259 11.670 175 1H5* C 7 1H5' C 7 -9.351 6.221 8.845 176 2H5* C 7 2H5' C 7 -9.220 6.644 7.128 177 H4* C 7 H4' C 7 -7.753 8.020 8.597 178 H3* C 7 H3' C 7 -6.363 6.175 6.618 179 1H2* C 7 H2' C 7 -4.330 7.344 7.242 180 2HO* C 7 2HO' C 7 -6.012 9.061 8.756 181 H1* C 7 H1' C 7 -4.884 7.214 9.929 182 1H4 C 7 1H4 C 7 -2.575 1.167 8.708 183 2H4 C 7 2H4 C 7 -1.163 2.185 8.882 184 H5 C 7 H5 C 7 -4.868 2.090 8.551 185 H6 C 7 H6 C 7 -6.169 4.089 8.669 186 1H5* U 8 1H5' U 8 -4.785 10.214 6.046 187 2H5* U 8 2H5' U 8 -4.532 10.513 4.319 188 H4* U 8 H4' U 8 -2.470 10.844 5.688 189 H3* U 8 H3' U 8 -2.413 8.564 3.668 190 1H2* U 8 H2' U 8 -0.022 8.487 4.177 191 2HO* U 8 2HO' U 8 0.128 10.840 4.377 192 H1* U 8 H1' U 8 -0.430 8.679 6.881 193 H3 U 8 H3 U 8 1.030 4.432 6.143 194 H5 U 8 H5 U 8 -3.133 4.289 5.538 195 H6 U 8 H6 U 8 -3.169 6.679 5.559 196 1H5* U 9 1H5' U 9 1.103 11.286 2.771 197 2H5* U 9 2H5' U 9 1.342 11.224 1.018 198 H4* U 9 H4' U 9 3.356 10.518 2.358 199 H3* U 9 H3' U 9 2.063 8.446 0.541 200 1H2* U 9 H2' U 9 4.035 7.109 1.024 201 2HO* U 9 2HO' U 9 5.754 7.976 2.183 202 H1* U 9 H1' U 9 4.003 7.728 3.717 203 H3 U 9 H3 U 9 3.011 3.285 3.400 204 H5 U 9 H5 U 9 -0.619 5.259 2.579 205 H6 U 9 H6 U 9 0.586 7.323 2.470 206 1H5* C 10 1H5' C 10 6.371 8.757 -0.466 207 2H5* C 10 2H5' C 10 6.561 8.540 -2.214 208 H4* C 10 H4' C 10 7.886 6.893 -0.889 209 H3* C 10 H3' C 10 5.615 5.751 -2.581 210 1H2* C 10 H2' C 10 6.523 3.599 -2.044 211 2HO* C 10 2HO' C 10 8.728 4.534 -2.312 212 H1* C 10 H1' C 10 7.097 4.311 0.634 213 1H4 C 10 1H4 C 10 0.736 2.333 0.369 214 2H4 C 10 2H4 C 10 1.684 0.908 0.740 215 H5 C 10 H5 C 10 1.785 4.488 -0.267 216 H6 C 10 H6 C 10 3.871 5.636 -0.516 217 H3T C 10 3HO' C 10 7.345 6.866 -3.667 No H/Q in entry = 217
Contact the webmaster for help, if required. Sunday, June 16, 2024 12:56:29 PM GMT (wattos1)