NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1030 | 17ra | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5* G 1 36.434 -5.308 -7.345 2 2H5* G 1 2H5* G 1 37.533 -5.043 -8.723 3 H4* G 1 H4* G 1 36.243 -6.549 -10.082 4 H3* G 1 H3* G 1 34.089 -6.173 -7.960 5 1H2* G 1 1H2* G 1 33.294 -8.345 -8.391 6 2HO* G 1 2HO* G 1 33.856 -9.506 -10.242 7 H1* G 1 H1* G 1 35.757 -9.572 -8.727 8 H8 G 1 H8 G 1 35.670 -7.179 -5.754 9 H1 G 1 H1 G 1 33.342 -12.958 -4.361 10 1H2 G 1 1H2 G 1 33.541 -13.530 -7.800 11 2H2 G 1 2H2 G 1 33.116 -14.156 -6.224 12 H5T G 1 H5T G 1 35.846 -3.936 -9.762 13 1H5* G 2 1H5* G 2 31.908 -7.466 -11.801 14 2H5* G 2 2H5* G 2 30.337 -6.621 -11.752 15 H4* G 2 H4* G 2 30.320 -9.189 -12.015 16 H3* G 2 H3* G 2 28.882 -7.791 -9.713 17 1H2* G 2 1H2* G 2 28.016 -9.880 -9.045 18 2HO* G 2 2HO* G 2 27.375 -10.684 -11.057 19 H1* G 2 H1* G 2 30.322 -11.357 -9.525 20 H8 G 2 H8 G 2 31.045 -8.046 -7.786 21 H1 G 2 H1 G 2 29.191 -12.607 -3.725 22 1H2 G 2 1H2 G 2 28.437 -14.436 -6.605 23 2H2 G 2 2H2 G 2 28.464 -14.382 -4.857 24 1H5* C 3 1H5* C 3 24.807 -9.110 -12.148 25 2H5* C 3 2H5* C 3 23.856 -7.730 -11.565 26 H4* C 3 H4* C 3 23.038 -10.170 -11.027 27 H3* C 3 H3* C 3 23.265 -7.915 -8.975 28 1H2* C 3 1H2* C 3 22.294 -9.367 -7.384 29 2HO* C 3 2HO* C 3 20.613 -10.251 -8.558 30 H1* C 3 H1* C 3 23.644 -11.663 -8.184 31 1H4 C 3 1H4 C 3 27.559 -8.301 -3.985 32 2H4 C 3 2H4 C 3 26.757 -9.525 -3.028 33 H5 C 3 H5 C 3 27.069 -7.917 -6.317 34 H6 C 3 H6 C 3 25.706 -8.619 -8.224 35 1H5* G 4 1H5* G 4 18.796 -9.055 -9.296 36 2H5* G 4 2H5* G 4 17.821 -7.658 -8.769 37 H4* G 4 H4* G 4 17.590 -10.000 -7.571 38 H3* G 4 H3* G 4 17.968 -7.333 -6.126 39 1H2* G 4 1H2* G 4 17.734 -8.483 -4.076 40 2HO* G 4 2HO* G 4 16.922 -10.590 -3.948 41 H1* G 4 H1* G 4 19.178 -10.735 -4.796 42 H8 G 4 H8 G 4 20.986 -7.595 -5.904 43 H1 G 4 H1 G 4 21.814 -8.859 0.298 44 1H2 G 4 1H2 G 4 20.432 -10.478 0.935 45 2H2 G 4 2H2 G 4 19.309 -11.239 -0.169 46 1H5* U 5 1H5* U 5 13.620 -8.166 -3.803 47 2H5* U 5 2H5* U 5 13.248 -6.464 -4.143 48 H4* U 5 H4* U 5 13.372 -7.270 -1.643 49 H3* U 5 H3* U 5 14.723 -4.785 -2.783 50 1H2* U 5 1H2* U 5 15.521 -4.251 -0.634 51 2HO* U 5 2HO* U 5 14.701 -5.187 1.242 52 H1* U 5 H1* U 5 16.136 -6.836 0.175 53 H3 U 5 H3 U 5 20.051 -4.441 -0.096 54 H5 U 5 H5 U 5 19.246 -5.709 -4.036 55 H6 U 5 H6 U 5 17.062 -6.432 -3.288 56 1H5* A 6 1H5* A 6 12.119 -3.812 0.856 57 2H5* A 6 2H5* A 6 11.489 -2.162 0.668 58 H4* A 6 H4* A 6 12.776 -2.729 2.856 59 H3* A 6 H3* A 6 13.099 -0.339 1.074 60 1H2* A 6 1H2* A 6 15.172 0.211 1.787 61 2HO* A 6 2HO* A 6 14.285 -0.534 4.397 62 H1* A 6 H1* A 6 15.694 -2.126 3.485 63 H8 A 6 H8 A 6 16.123 -1.811 -0.335 64 1H6 A 6 1H6 A 6 22.132 -1.008 0.774 65 2H6 A 6 2H6 A 6 20.918 -1.210 -0.469 66 H2 A 6 H2 A 6 19.993 -1.143 4.724 67 1H5* A 7 1H5* A 7 12.996 3.918 3.924 68 2H5* A 7 2H5* A 7 13.959 3.027 2.725 69 H4* A 7 H4* A 7 14.622 3.171 5.705 70 H3* A 7 H3* A 7 15.604 4.774 3.305 71 1H2* A 7 1H2* A 7 17.771 4.801 4.215 72 2HO* A 7 2HO* A 7 16.670 3.797 6.655 73 H1* A 7 H1* A 7 17.791 2.203 5.185 74 H8 A 7 H8 A 7 16.301 2.551 1.679 75 1H6 A 7 1H6 A 7 22.024 2.006 -0.527 76 2H6 A 7 2H6 A 7 20.327 2.100 -0.943 77 H2 A 7 H2 A 7 22.293 2.303 3.948 78 1H5* G 8 1H5* G 8 16.430 7.661 7.074 79 2H5* G 8 2H5* G 8 16.653 9.244 6.283 80 H4* G 8 H4* G 8 18.576 8.179 7.746 81 H3* G 8 H3* G 8 18.960 9.308 4.933 82 1H2* G 8 1H2* G 8 21.274 8.913 5.164 83 2HO* G 8 2HO* G 8 22.250 8.489 7.145 84 H1* G 8 H1* G 8 21.060 6.464 6.449 85 H8 G 8 H8 G 8 18.671 6.869 3.491 86 H1 G 8 H1 G 8 24.528 5.030 1.739 87 1H2 G 8 1H2 G 8 25.377 5.646 5.072 88 2H2 G 8 2H2 G 8 25.906 5.124 3.488 89 1H5* G 9 1H5* G 9 21.816 11.626 7.453 90 2H5* G 9 2H5* G 9 22.106 13.208 6.687 91 H4* G 9 H4* G 9 24.079 11.487 7.029 92 H3* G 9 H3* G 9 23.471 12.891 4.392 93 1H2* G 9 1H2* G 9 25.472 11.929 3.543 94 2HO* G 9 2HO* G 9 26.061 10.888 6.129 95 H1* G 9 H1* G 9 25.050 9.416 4.600 96 H8 G 9 H8 G 9 21.675 10.422 3.420 97 H1 G 9 H1 G 9 25.505 9.184 -1.532 98 1H2 G 9 1H2 G 9 28.075 9.277 0.832 99 2H2 G 9 2H2 G 9 27.620 9.060 -0.844 100 1H5* A 10 1H5* A 10 27.271 15.137 5.101 101 2H5* A 10 2H5* A 10 27.130 16.630 4.154 102 H4* A 10 H4* A 10 28.728 14.715 3.315 103 H3* A 10 H3* A 10 26.687 16.215 1.611 104 1H2* A 10 1H2* A 10 27.356 14.965 -0.242 105 2HO* A 10 2HO* A 10 29.611 14.051 1.250 106 H1* A 10 H1* A 10 27.712 12.533 0.999 107 H8 A 10 H8 A 10 24.467 13.253 2.288 108 1H6 A 10 1H6 A 10 21.957 13.072 -3.339 109 2H6 A 10 2H6 A 10 21.624 13.026 -1.622 110 H2 A 10 H2 A 10 26.420 13.467 -3.792 111 1H5* U 11 1H5* U 11 28.260 15.848 -1.848 112 2H5* U 11 2H5* U 11 29.459 17.145 -1.780 113 H4* U 11 H4* U 11 28.499 17.279 -3.968 114 H3* U 11 H3* U 11 28.293 19.482 -2.333 115 1H2* U 11 1H2* U 11 26.115 19.093 -1.518 116 2HO* U 11 2HO* U 11 25.589 20.443 -3.989 117 H1* U 11 H1* U 11 25.169 18.324 -4.292 118 H3 U 11 H3 U 11 21.111 17.104 -2.827 119 H5 U 11 H5 U 11 23.559 16.227 0.491 120 H6 U 11 H6 U 11 25.464 17.021 -0.780 121 1H5* U 12 1H5* U 12 29.833 17.528 -5.743 122 2H5* U 12 2H5* U 12 30.462 18.191 -7.254 123 H4* U 12 H4* U 12 28.507 16.133 -6.892 124 H3* U 12 H3* U 12 30.355 16.846 -8.759 125 1H2* U 12 1H2* U 12 29.243 18.624 -9.718 126 2HO* U 12 2HO* U 12 28.308 17.983 -11.641 127 H1* U 12 H1* U 12 26.532 17.378 -9.652 128 H3 U 12 H3 U 12 25.452 21.448 -11.422 129 H5 U 12 H5 U 12 27.041 22.348 -7.621 130 H6 U 12 H6 U 12 27.668 20.016 -7.400 131 1H5* A 13 1H5* A 13 31.198 11.713 -10.511 132 2H5* A 13 2H5* A 13 29.625 12.287 -11.095 133 H4* A 13 H4* A 13 30.393 11.224 -8.384 134 H3* A 13 H3* A 13 28.839 10.174 -10.382 135 1H2* A 13 1H2* A 13 27.187 11.875 -10.443 136 2HO* A 13 2HO* A 13 26.029 9.977 -9.998 137 H1* A 13 H1* A 13 27.154 11.948 -7.421 138 H8 A 13 H8 A 13 26.726 13.980 -10.681 139 1H6 A 13 1H6 A 13 23.582 17.942 -7.171 140 2H6 A 13 2H6 A 13 23.957 17.476 -8.815 141 H2 A 13 H2 A 13 25.718 15.025 -4.491 142 1H5* C 14 1H5* C 14 31.274 8.490 -8.090 143 2H5* C 14 2H5* C 14 31.522 6.955 -7.247 144 H4* C 14 H4* C 14 32.234 8.923 -5.879 145 H3* C 14 H3* C 14 29.919 7.188 -4.929 146 1H2* C 14 1H2* C 14 29.758 8.477 -2.969 147 2HO* C 14 2HO* C 14 31.394 9.875 -2.291 148 H1* C 14 H1* C 14 30.211 10.959 -4.133 149 1H4 C 14 1H4 C 14 23.788 9.774 -5.140 150 2H4 C 14 2H4 C 14 23.870 10.216 -3.449 151 H5 C 14 H5 C 14 25.761 9.508 -6.542 152 H6 C 14 H6 C 14 28.212 9.392 -6.529 153 1H5* C 15 1H5* C 15 32.980 6.647 -1.757 154 2H5* C 15 2H5* C 15 33.149 4.923 -1.368 155 H4* C 15 H4* C 15 32.651 6.426 0.625 156 H3* C 15 H3* C 15 30.788 4.145 -0.162 157 1H2* C 15 1H2* C 15 29.443 4.608 1.705 158 2HO* C 15 2HO* C 15 30.135 5.881 3.429 159 H1* C 15 H1* C 15 29.590 7.384 1.583 160 1H4 C 15 1H4 C 15 24.787 5.570 -2.619 161 2H4 C 15 2H4 C 15 24.052 5.375 -1.044 162 H5 C 15 H5 C 15 27.120 6.093 -2.932 163 H6 C 15 H6 C 15 29.245 6.553 -1.807 164 1H5* U 16 1H5* U 16 31.156 2.996 3.868 165 2H5* U 16 2H5* U 16 31.268 1.225 3.908 166 H4* U 16 H4* U 16 29.167 2.371 4.969 167 H3* U 16 H3* U 16 29.068 0.058 2.979 168 1H2* U 16 1H2* U 16 26.719 0.003 3.226 169 2HO* U 16 2HO* U 16 25.648 1.034 4.917 170 H1* U 16 H1* U 16 26.326 2.752 3.326 171 H3 U 16 H3 U 16 24.300 1.173 -0.483 172 H5 U 16 H5 U 16 28.385 1.485 -1.479 173 H6 U 16 H6 U 16 28.857 1.950 0.851 174 1H5* A 17 1H5* A 17 27.226 -0.832 7.205 175 2H5* A 17 2H5* A 17 27.766 -2.471 7.625 176 H4* A 17 H4* A 17 25.363 -2.005 8.231 177 H3* A 17 H3* A 17 26.048 -4.193 6.248 178 1H2* A 17 1H2* A 17 23.755 -4.760 6.138 179 2HO* A 17 2HO* A 17 22.244 -4.013 7.635 180 H1* A 17 H1* A 17 22.748 -2.193 6.109 181 H8 A 17 H8 A 17 25.758 -2.205 3.865 182 1H6 A 17 1H6 A 17 22.300 -4.715 -0.565 183 2H6 A 17 2H6 A 17 23.839 -3.974 -0.191 184 H2 A 17 H2 A 17 19.938 -4.827 3.262 185 1H5* U 18 1H5* U 18 23.874 -6.478 8.815 186 2H5* U 18 2H5* U 18 24.540 -8.119 8.955 187 H4* U 18 H4* U 18 22.300 -7.993 7.774 188 H3* U 18 H3* U 18 24.765 -9.062 6.325 189 1H2* U 18 1H2* U 18 23.413 -9.576 4.470 190 2HO* U 18 2HO* U 18 21.670 -10.555 5.471 191 H1* U 18 H1* U 18 21.807 -7.309 4.574 192 H3 U 18 H3 U 18 24.291 -7.293 0.681 193 H5 U 18 H5 U 18 26.810 -5.631 3.629 194 H6 U 18 H6 U 18 25.173 -6.258 5.304 195 1H5* G 19 1H5* G 19 22.311 -13.546 6.644 196 2H5* G 19 2H5* G 19 23.894 -14.363 6.569 197 H4* G 19 H4* G 19 21.997 -14.916 4.812 198 H3* G 19 H3* G 19 24.887 -14.248 4.076 199 1H2* G 19 1H2* G 19 24.350 -14.760 1.833 200 2HO* G 19 2HO* G 19 22.486 -15.860 1.246 201 H1* G 19 H1* G 19 21.854 -13.544 1.842 202 H8 G 19 H8 G 19 24.490 -11.435 3.595 203 H1 G 19 H1 G 19 24.716 -10.852 -2.751 204 1H2 G 19 1H2 G 19 22.456 -13.510 -2.777 205 2H2 G 19 2H2 G 19 23.392 -12.361 -3.708 206 1H5* C 20 1H5* C 20 24.256 -18.244 2.124 207 2H5* C 20 2H5* C 20 25.771 -19.130 2.387 208 H4* C 20 H4* C 20 25.056 -18.999 -0.034 209 H3* C 20 H3* C 20 27.698 -17.695 0.796 210 1H2* C 20 1H2* C 20 28.114 -17.367 -1.514 211 2HO* C 20 2HO* C 20 25.840 -18.999 -2.091 212 H1* C 20 H1* C 20 25.508 -16.645 -2.175 213 1H4 C 20 1H4 C 20 28.640 -11.200 -0.004 214 2H4 C 20 2H4 C 20 28.858 -11.212 -1.738 215 H5 C 20 H5 C 20 27.584 -13.002 1.207 216 H6 C 20 H6 C 20 26.515 -15.194 1.013 217 1H5* C 21 1H5* C 21 28.504 -20.970 -2.214 218 2H5* C 21 2H5* C 21 30.143 -21.610 -1.978 219 H4* C 21 H4* C 21 29.485 -20.610 -4.318 220 H3* C 21 H3* C 21 32.032 -19.932 -2.770 221 1H2* C 21 1H2* C 21 32.733 -18.626 -4.605 222 2HO* C 21 2HO* C 21 31.753 -18.767 -6.642 223 H1* C 21 H1* C 21 30.237 -17.545 -5.205 224 1H4 C 21 1H4 C 21 32.994 -13.798 -0.455 225 2H4 C 21 2H4 C 21 33.376 -13.013 -1.971 226 H5 C 21 H5 C 21 31.869 -15.929 -0.318 227 H6 C 21 H6 C 21 30.873 -17.760 -1.601 228 H3T C 21 H3T C 21 32.875 -21.422 -4.267 Start of MODEL 2 1 1H5* G 1 1H5* G 1 35.579 -10.837 -11.606 2 2H5* G 1 2H5* G 1 35.887 -11.650 -10.048 3 H4* G 1 H4* G 1 34.492 -12.838 -12.516 4 H3* G 1 H3* G 1 33.455 -11.650 -9.907 5 1H2* G 1 1H2* G 1 31.730 -13.248 -9.869 6 2HO* G 1 2HO* G 1 30.920 -14.147 -11.638 7 H1* G 1 H1* G 1 33.214 -15.405 -10.780 8 H8 G 1 H8 G 1 35.160 -13.430 -8.191 9 H1 G 1 H1 G 1 30.887 -17.371 -5.548 10 1H2 G 1 1H2 G 1 29.705 -17.775 -8.809 11 2H2 G 1 2H2 G 1 29.543 -18.197 -7.120 12 H5T G 1 H5T G 1 36.972 -12.266 -12.601 13 1H5* G 2 1H5* G 2 29.996 -11.836 -12.961 14 2H5* G 2 2H5* G 2 29.003 -10.384 -12.662 15 H4* G 2 H4* G 2 27.820 -12.686 -12.731 16 H3* G 2 H3* G 2 27.622 -10.811 -10.332 17 1H2* G 2 1H2* G 2 26.097 -12.302 -9.333 18 2HO* G 2 2HO* G 2 25.111 -13.992 -10.501 19 H1* G 2 H1* G 2 27.375 -14.649 -10.099 20 H8 G 2 H8 G 2 29.908 -12.132 -8.849 21 H1 G 2 H1 G 2 26.879 -15.079 -4.068 22 1H2 G 2 1H2 G 2 24.757 -16.290 -6.562 23 2H2 G 2 2H2 G 2 25.155 -16.243 -4.859 24 1H5* C 3 1H5* C 3 23.270 -10.847 -11.985 25 2H5* C 3 2H5* C 3 22.547 -9.319 -11.442 26 H4* C 3 H4* C 3 21.509 -11.590 -10.621 27 H3* C 3 H3* C 3 22.202 -9.229 -8.810 28 1H2* C 3 1H2* C 3 21.254 -10.421 -7.007 29 2HO* C 3 2HO* C 3 20.243 -12.346 -8.859 30 H1* C 3 H1* C 3 22.232 -12.925 -7.721 31 1H4 C 3 1H4 C 3 26.918 -9.750 -4.223 32 2H4 C 3 2H4 C 3 26.078 -10.784 -3.088 33 H5 C 3 H5 C 3 26.246 -9.501 -6.530 34 H6 C 3 H6 C 3 24.625 -10.180 -8.233 35 1H5* G 4 1H5* G 4 17.777 -10.167 -8.510 36 2H5* G 4 2H5* G 4 16.864 -8.717 -8.020 37 H4* G 4 H4* G 4 16.737 -10.941 -6.601 38 H3* G 4 H3* G 4 17.262 -8.163 -5.442 39 1H2* G 4 1H2* G 4 17.216 -9.122 -3.284 40 2HO* G 4 2HO* G 4 16.390 -11.175 -2.881 41 H1* G 4 H1* G 4 18.578 -11.447 -3.932 42 H8 G 4 H8 G 4 20.294 -8.449 -5.485 43 H1 G 4 H1 G 4 21.718 -9.178 0.693 44 1H2 G 4 1H2 G 4 20.379 -10.694 1.610 45 2H2 G 4 2H2 G 4 19.138 -11.524 0.697 46 1H5* U 5 1H5* U 5 13.616 -9.031 -2.684 47 2H5* U 5 2H5* U 5 12.744 -7.527 -3.047 48 H4* U 5 H4* U 5 13.212 -7.875 -0.585 49 H3* U 5 H3* U 5 14.368 -5.472 -2.063 50 1H2* U 5 1H2* U 5 15.277 -4.682 -0.042 51 2HO* U 5 2HO* U 5 13.710 -6.639 1.331 52 H1* U 5 H1* U 5 16.058 -7.137 0.990 53 H3 U 5 H3 U 5 19.849 -4.657 0.218 54 H5 U 5 H5 U 5 18.863 -6.384 -3.502 55 H6 U 5 H6 U 5 16.755 -7.083 -2.546 56 1H5* A 6 1H5* A 6 12.007 -4.181 1.637 57 2H5* A 6 2H5* A 6 11.265 -2.607 1.283 58 H4* A 6 H4* A 6 12.697 -2.734 3.414 59 H3* A 6 H3* A 6 12.998 -0.710 1.203 60 1H2* A 6 1H2* A 6 15.020 0.055 1.901 61 2HO* A 6 2HO* A 6 14.170 -0.543 4.561 62 H1* A 6 H1* A 6 15.744 -2.083 3.716 63 H8 A 6 H8 A 6 15.636 -2.206 -0.137 64 1H6 A 6 1H6 A 6 21.723 -1.274 0.023 65 2H6 A 6 2H6 A 6 20.351 -1.610 -1.008 66 H2 A 6 H2 A 6 20.162 -1.003 4.230 67 1H5* A 7 1H5* A 7 13.083 3.955 3.226 68 2H5* A 7 2H5* A 7 13.992 2.762 2.272 69 H4* A 7 H4* A 7 14.597 3.291 5.212 70 H3* A 7 H3* A 7 15.635 4.706 2.717 71 1H2* A 7 1H2* A 7 17.782 4.792 3.676 72 2HO* A 7 2HO* A 7 16.609 3.987 6.157 73 H1* A 7 H1* A 7 17.756 2.278 4.851 74 H8 A 7 H8 A 7 16.387 2.290 1.287 75 1H6 A 7 1H6 A 7 22.196 1.643 -0.663 76 2H6 A 7 2H6 A 7 20.513 1.657 -1.143 77 H2 A 7 H2 A 7 22.299 2.386 3.768 78 1H5* G 8 1H5* G 8 16.184 7.101 6.745 79 2H5* G 8 2H5* G 8 16.503 8.818 6.385 80 H4* G 8 H4* G 8 18.138 7.432 7.928 81 H3* G 8 H3* G 8 18.991 9.190 5.586 82 1H2* G 8 1H2* G 8 21.242 8.710 6.074 83 2HO* G 8 2HO* G 8 20.386 7.545 8.538 84 H1* G 8 H1* G 8 20.907 6.036 6.721 85 H8 G 8 H8 G 8 18.973 7.005 3.590 86 H1 G 8 H1 G 8 25.150 5.891 2.427 87 1H2 G 8 1H2 G 8 25.460 5.785 5.906 88 2H2 G 8 2H2 G 8 26.250 5.655 4.351 89 1H5* G 9 1H5* G 9 21.300 10.595 9.177 90 2H5* G 9 2H5* G 9 21.657 12.330 8.987 91 H4* G 9 H4* G 9 23.608 10.573 9.251 92 H3* G 9 H3* G 9 23.499 12.701 7.070 93 1H2* G 9 1H2* G 9 25.694 12.023 6.448 94 2HO* G 9 2HO* G 9 26.943 10.661 7.715 95 H1* G 9 H1* G 9 25.200 9.313 6.581 96 H8 G 9 H8 G 9 22.084 10.649 5.073 97 H1 G 9 H1 G 9 26.900 11.006 0.898 98 1H2 G 9 1H2 G 9 28.931 10.305 3.654 99 2H2 G 9 2H2 G 9 28.835 10.632 1.939 100 1H5* A 10 1H5* A 10 26.899 14.662 9.209 101 2H5* A 10 2H5* A 10 26.825 16.367 8.730 102 H4* A 10 H4* A 10 28.704 14.825 7.725 103 H3* A 10 H3* A 10 26.920 16.733 6.143 104 1H2* A 10 1H2* A 10 28.038 16.114 4.190 105 2HO* A 10 2HO* A 10 30.022 14.832 5.791 106 H1* A 10 H1* A 10 28.334 13.427 4.714 107 H8 A 10 H8 A 10 24.848 13.720 5.467 108 1H6 A 10 1H6 A 10 23.509 15.125 -0.384 109 2H6 A 10 2H6 A 10 22.849 14.595 1.147 110 H2 A 10 H2 A 10 27.943 15.645 0.219 111 1H5* U 11 1H5* U 11 29.236 17.423 3.156 112 2H5* U 11 2H5* U 11 30.267 18.682 3.849 113 H4* U 11 H4* U 11 29.789 19.390 1.610 114 H3* U 11 H3* U 11 29.063 21.050 3.677 115 1H2* U 11 1H2* U 11 26.799 20.406 3.842 116 2HO* U 11 2HO* U 11 25.592 22.066 2.848 117 H1* U 11 H1* U 11 26.534 20.425 0.826 118 H3 U 11 H3 U 11 22.374 18.759 0.931 119 H5 U 11 H5 U 11 24.099 17.067 4.386 120 H6 U 11 H6 U 11 26.165 18.216 3.844 121 1H5* U 12 1H5* U 12 31.417 20.123 0.350 122 2H5* U 12 2H5* U 12 32.337 21.183 -0.719 123 H4* U 12 H4* U 12 30.540 19.074 -1.425 124 H3* U 12 H3* U 12 32.714 20.307 -2.500 125 1H2* U 12 1H2* U 12 31.729 22.258 -3.222 126 2HO* U 12 2HO* U 12 32.366 21.685 -5.193 127 H1* U 12 H1* U 12 29.201 20.993 -4.184 128 H3 U 12 H3 U 12 28.249 25.377 -5.047 129 H5 U 12 H5 U 12 28.763 25.218 -0.864 130 H6 U 12 H6 U 12 29.517 22.924 -1.105 131 1H5* A 13 1H5* A 13 33.931 16.424 -6.218 132 2H5* A 13 2H5* A 13 32.471 16.364 -7.221 133 H4* A 13 H4* A 13 32.986 15.009 -4.730 134 H3* A 13 H3* A 13 31.481 14.517 -6.962 135 1H2* A 13 1H2* A 13 29.767 16.088 -6.540 136 2HO* A 13 2HO* A 13 27.985 14.922 -5.797 137 H1* A 13 H1* A 13 29.736 15.316 -3.619 138 H8 A 13 H8 A 13 29.582 18.344 -6.068 139 1H6 A 13 1H6 A 13 25.778 20.764 -1.872 140 2H6 A 13 2H6 A 13 26.397 20.936 -3.499 141 H2 A 13 H2 A 13 27.656 17.039 -0.178 142 1H5* C 14 1H5* C 14 33.452 11.553 -5.065 143 2H5* C 14 2H5* C 14 33.235 9.837 -4.691 144 H4* C 14 H4* C 14 34.081 11.268 -2.759 145 H3* C 14 H3* C 14 31.517 9.634 -2.579 146 1H2* C 14 1H2* C 14 31.254 10.295 -0.339 147 2HO* C 14 2HO* C 14 32.922 11.211 0.870 148 H1* C 14 H1* C 14 32.066 12.937 -0.649 149 1H4 C 14 1H4 C 14 25.720 12.890 -2.489 150 2H4 C 14 2H4 C 14 25.640 12.718 -0.751 151 H5 C 14 H5 C 14 27.815 12.905 -3.727 152 H6 C 14 H6 C 14 30.233 12.508 -3.558 153 1H5* C 15 1H5* C 15 33.858 8.105 0.706 154 2H5* C 15 2H5* C 15 34.015 6.341 0.581 155 H4* C 15 H4* C 15 33.227 7.106 2.841 156 H3* C 15 H3* C 15 31.400 5.389 1.104 157 1H2* C 15 1H2* C 15 29.826 5.334 2.848 158 2HO* C 15 2HO* C 15 30.330 5.925 4.969 159 H1* C 15 H1* C 15 30.127 7.972 3.687 160 1H4 C 15 1H4 C 15 25.835 8.084 -1.370 161 2H4 C 15 2H4 C 15 24.888 7.476 -0.031 162 H5 C 15 H5 C 15 28.218 8.445 -1.247 163 H6 C 15 H6 C 15 30.201 8.306 0.184 164 1H5* U 16 1H5* U 16 31.393 3.204 4.777 165 2H5* U 16 2H5* U 16 31.482 1.464 4.432 166 H4* U 16 H4* U 16 29.391 2.412 5.717 167 H3* U 16 H3* U 16 29.282 0.519 3.323 168 1H2* U 16 1H2* U 16 26.932 0.424 3.564 169 2HO* U 16 2HO* U 16 26.287 0.279 5.574 170 H1* U 16 H1* U 16 26.554 3.105 4.182 171 H3 U 16 H3 U 16 24.499 2.333 0.158 172 H5 U 16 H5 U 16 28.596 2.645 -0.783 173 H6 U 16 H6 U 16 29.078 2.699 1.589 174 1H5* A 17 1H5* A 17 27.451 -0.815 7.297 175 2H5* A 17 2H5* A 17 27.911 -2.502 7.603 176 H4* A 17 H4* A 17 25.528 -1.907 8.258 177 H3* A 17 H3* A 17 26.119 -4.088 6.237 178 1H2* A 17 1H2* A 17 23.812 -4.551 6.120 179 2HO* A 17 2HO* A 17 22.338 -3.821 7.656 180 H1* A 17 H1* A 17 22.896 -1.943 6.222 181 H8 A 17 H8 A 17 25.704 -1.843 3.798 182 1H6 A 17 1H6 A 17 22.086 -4.481 -0.435 183 2H6 A 17 2H6 A 17 23.607 -3.662 -0.156 184 H2 A 17 H2 A 17 20.003 -4.767 3.538 185 1H5* U 18 1H5* U 18 23.903 -6.212 8.897 186 2H5* U 18 2H5* U 18 24.473 -7.881 9.105 187 H4* U 18 H4* U 18 22.215 -7.704 7.990 188 H3* U 18 H3* U 18 24.579 -8.932 6.500 189 1H2* U 18 1H2* U 18 23.153 -9.447 4.704 190 2HO* U 18 2HO* U 18 21.407 -10.312 5.833 191 H1* U 18 H1* U 18 21.646 -7.113 4.775 192 H3 U 18 H3 U 18 24.014 -7.334 0.818 193 H5 U 18 H5 U 18 26.676 -5.662 3.631 194 H6 U 18 H6 U 18 25.068 -6.171 5.372 195 1H5* G 19 1H5* G 19 21.699 -12.982 7.229 196 2H5* G 19 2H5* G 19 23.061 -14.131 7.167 197 H4* G 19 H4* G 19 20.985 -14.435 5.577 198 H3* G 19 H3* G 19 23.888 -14.436 4.620 199 1H2* G 19 1H2* G 19 23.095 -15.012 2.471 200 2HO* G 19 2HO* G 19 20.988 -15.731 2.103 201 H1* G 19 H1* G 19 20.886 -13.332 2.498 202 H8 G 19 H8 G 19 23.908 -11.512 3.860 203 H1 G 19 H1 G 19 23.976 -11.870 -2.509 204 1H2 G 19 1H2 G 19 21.324 -14.104 -2.107 205 2H2 G 19 2H2 G 19 22.390 -13.265 -3.212 206 1H5* C 20 1H5* C 20 22.039 -18.520 3.422 207 2H5* C 20 2H5* C 20 23.399 -19.662 3.428 208 H4* C 20 H4* C 20 22.009 -19.486 1.252 209 H3* C 20 H3* C 20 25.046 -19.104 1.281 210 1H2* C 20 1H2* C 20 24.948 -19.058 -1.085 211 2HO* C 20 2HO* C 20 22.206 -19.849 -0.939 212 H1* C 20 H1* C 20 22.621 -17.539 -1.252 213 1H4 C 20 1H4 C 20 27.743 -13.361 -0.545 214 2H4 C 20 2H4 C 20 27.521 -13.549 -2.269 215 H5 C 20 H5 C 20 26.495 -14.624 1.092 216 H6 C 20 H6 C 20 24.775 -16.334 1.424 217 1H5* C 21 1H5* C 21 23.999 -22.597 -1.362 218 2H5* C 21 2H5* C 21 25.345 -23.754 -1.392 219 H4* C 21 H4* C 21 24.502 -22.712 -3.654 220 H3* C 21 H3* C 21 27.425 -22.882 -2.777 221 1H2* C 21 1H2* C 21 28.048 -22.003 -4.876 222 2HO* C 21 2HO* C 21 26.713 -23.255 -6.208 223 H1* C 21 H1* C 21 25.977 -20.150 -5.077 224 1H4 C 21 1H4 C 21 30.870 -17.368 -1.539 225 2H4 C 21 2H4 C 21 31.124 -16.859 -3.193 226 H5 C 21 H5 C 21 29.165 -18.946 -0.892 227 H6 C 21 H6 C 21 27.342 -20.373 -1.686 228 H3T C 21 H3T C 21 27.352 -24.670 -4.145 Start of MODEL 3 1 1H5* G 1 1H5* G 1 34.058 -3.216 -9.003 2 2H5* G 1 2H5* G 1 34.258 -3.681 -7.293 3 H4* G 1 H4* G 1 35.086 -5.307 -9.766 4 H3* G 1 H3* G 1 32.689 -5.445 -7.886 5 1H2* G 1 1H2* G 1 32.707 -7.791 -8.041 6 2HO* G 1 2HO* G 1 32.944 -8.050 -10.258 7 H1* G 1 H1* G 1 35.456 -8.135 -8.004 8 H8 G 1 H8 G 1 34.326 -5.570 -5.432 9 H1 G 1 H1 G 1 33.646 -11.574 -3.378 10 1H2 G 1 1H2 G 1 34.354 -12.464 -6.677 11 2H2 G 1 2H2 G 1 33.966 -12.998 -5.057 12 H5T G 1 H5T G 1 36.257 -3.079 -9.214 13 1H5* G 2 1H5* G 2 31.093 -7.598 -11.722 14 2H5* G 2 2H5* G 2 29.398 -7.043 -11.800 15 H4* G 2 H4* G 2 29.785 -9.574 -11.837 16 H3* G 2 H3* G 2 28.139 -8.264 -9.629 17 1H2* G 2 1H2* G 2 27.650 -10.394 -8.757 18 2HO* G 2 2HO* G 2 28.011 -12.299 -9.931 19 H1* G 2 H1* G 2 30.162 -11.512 -9.163 20 H8 G 2 H8 G 2 30.427 -7.998 -7.749 21 H1 G 2 H1 G 2 29.186 -12.346 -3.246 22 1H2 G 2 1H2 G 2 28.662 -14.523 -5.928 23 2H2 G 2 2H2 G 2 28.689 -14.300 -4.194 24 1H5* C 3 1H5* C 3 24.164 -10.308 -11.801 25 2H5* C 3 2H5* C 3 23.154 -8.926 -11.331 26 H4* C 3 H4* C 3 22.510 -11.329 -10.483 27 H3* C 3 H3* C 3 22.704 -8.860 -8.686 28 1H2* C 3 1H2* C 3 21.837 -10.198 -6.936 29 2HO* C 3 2HO* C 3 20.192 -11.239 -8.172 30 H1* C 3 H1* C 3 23.299 -12.482 -7.556 31 1H4 C 3 1H4 C 3 27.097 -8.496 -3.815 32 2H4 C 3 2H4 C 3 26.354 -9.632 -2.710 33 H5 C 3 H5 C 3 26.572 -8.410 -6.172 34 H6 C 3 H6 C 3 25.220 -9.385 -7.964 35 1H5* G 4 1H5* G 4 18.220 -10.116 -8.717 36 2H5* G 4 2H5* G 4 17.269 -8.676 -8.264 37 H4* G 4 H4* G 4 17.115 -10.902 -6.852 38 H3* G 4 H3* G 4 17.572 -8.123 -5.661 39 1H2* G 4 1H2* G 4 17.430 -9.103 -3.514 40 2HO* G 4 2HO* G 4 16.605 -11.566 -4.687 41 H1* G 4 H1* G 4 18.841 -11.407 -4.122 42 H8 G 4 H8 G 4 20.571 -8.349 -5.555 43 H1 G 4 H1 G 4 21.774 -9.198 0.655 44 1H2 G 4 1H2 G 4 20.429 -10.761 1.484 45 2H2 G 4 2H2 G 4 19.239 -11.590 0.505 46 1H5* U 5 1H5* U 5 13.481 -8.824 -3.003 47 2H5* U 5 2H5* U 5 12.976 -7.180 -3.445 48 H4* U 5 H4* U 5 13.291 -7.732 -0.914 49 H3* U 5 H3* U 5 14.525 -5.333 -2.337 50 1H2* U 5 1H2* U 5 15.419 -4.603 -0.287 51 2HO* U 5 2HO* U 5 14.713 -5.374 1.703 52 H1* U 5 H1* U 5 16.126 -7.099 0.706 53 H3 U 5 H3 U 5 19.958 -4.644 0.035 54 H5 U 5 H5 U 5 19.033 -6.339 -3.714 55 H6 U 5 H6 U 5 16.897 -7.019 -2.808 56 1H5* A 6 1H5* A 6 12.053 -4.090 1.335 57 2H5* A 6 2H5* A 6 11.373 -2.481 1.017 58 H4* A 6 H4* A 6 12.736 -2.782 3.200 59 H3* A 6 H3* A 6 13.036 -0.603 1.149 60 1H2* A 6 1H2* A 6 15.084 0.072 1.845 61 2HO* A 6 2HO* A 6 15.568 0.057 4.179 62 H1* A 6 H1* A 6 15.706 -2.128 3.657 63 H8 A 6 H8 A 6 15.896 -2.121 -0.192 64 1H6 A 6 1H6 A 6 21.942 -1.134 0.465 65 2H6 A 6 2H6 A 6 20.658 -1.452 -0.679 66 H2 A 6 H2 A 6 20.056 -0.995 4.543 67 1H5* A 7 1H5* A 7 13.042 3.932 3.512 68 2H5* A 7 2H5* A 7 13.979 2.875 2.432 69 H4* A 7 H4* A 7 14.637 3.266 5.389 70 H3* A 7 H3* A 7 15.612 4.738 2.903 71 1H2* A 7 1H2* A 7 17.779 4.821 3.812 72 2HO* A 7 2HO* A 7 16.670 3.964 6.304 73 H1* A 7 H1* A 7 17.804 2.283 4.935 74 H8 A 7 H8 A 7 16.336 2.351 1.413 75 1H6 A 7 1H6 A 7 22.090 1.811 -0.723 76 2H6 A 7 2H6 A 7 20.394 1.816 -1.153 77 H2 A 7 H2 A 7 22.321 2.462 3.716 78 1H5* G 8 1H5* G 8 16.277 7.336 6.899 79 2H5* G 8 2H5* G 8 16.574 9.009 6.353 80 H4* G 8 H4* G 8 18.301 7.768 7.922 81 H3* G 8 H3* G 8 19.006 9.282 5.369 82 1H2* G 8 1H2* G 8 21.283 8.836 5.757 83 2HO* G 8 2HO* G 8 22.051 8.082 7.761 84 H1* G 8 H1* G 8 20.987 6.240 6.684 85 H8 G 8 H8 G 8 18.875 7.021 3.595 86 H1 G 8 H1 G 8 24.890 5.428 2.167 87 1H2 G 8 1H2 G 8 25.424 5.616 5.617 88 2H2 G 8 2H2 G 8 26.101 5.300 4.035 89 1H5* G 9 1H5* G 9 21.611 11.088 8.492 90 2H5* G 9 2H5* G 9 21.942 12.781 8.043 91 H4* G 9 H4* G 9 23.907 11.029 8.256 92 H3* G 9 H3* G 9 23.510 12.875 5.858 93 1H2* G 9 1H2* G 9 25.593 12.079 5.039 94 2HO* G 9 2HO* G 9 26.998 10.850 6.303 95 H1* G 9 H1* G 9 25.143 9.417 5.643 96 H8 G 9 H8 G 9 21.887 10.567 4.273 97 H1 G 9 H1 G 9 26.254 10.153 -0.366 98 1H2 G 9 1H2 G 9 28.551 9.874 2.253 99 2H2 G 9 2H2 G 9 28.284 9.922 0.525 100 1H5* A 10 1H5* A 10 27.176 15.075 7.161 101 2H5* A 10 2H5* A 10 27.000 16.688 6.449 102 H4* A 10 H4* A 10 28.711 14.986 5.397 103 H3* A 10 H3* A 10 26.673 16.657 3.854 104 1H2* A 10 1H2* A 10 27.460 15.728 1.859 105 2HO* A 10 2HO* A 10 29.700 14.720 3.316 106 H1* A 10 H1* A 10 27.867 13.147 2.739 107 H8 A 10 H8 A 10 24.533 13.708 4.009 108 1H6 A 10 1H6 A 10 22.274 13.914 -1.724 109 2H6 A 10 2H6 A 10 21.865 13.739 -0.032 110 H2 A 10 H2 A 10 26.748 14.376 -1.936 111 1H5* U 11 1H5* U 11 28.867 16.886 0.531 112 2H5* U 11 2H5* U 11 29.840 18.315 0.903 113 H4* U 11 H4* U 11 29.149 18.538 -1.404 114 H3* U 11 H3* U 11 28.530 20.540 0.375 115 1H2* U 11 1H2* U 11 26.323 19.854 0.881 116 2HO* U 11 2HO* U 11 26.147 21.985 0.099 117 H1* U 11 H1* U 11 25.778 19.310 -2.040 118 H3 U 11 H3 U 11 21.742 17.532 -1.246 119 H5 U 11 H5 U 11 23.770 16.788 2.374 120 H6 U 11 H6 U 11 25.742 17.814 1.411 121 1H5* U 12 1H5* U 12 31.070 19.841 -2.765 122 2H5* U 12 2H5* U 12 31.631 20.682 -4.218 123 H4* U 12 H4* U 12 29.998 18.331 -4.020 124 H3* U 12 H3* U 12 31.752 19.427 -5.775 125 1H2* U 12 1H2* U 12 30.424 21.040 -6.739 126 2HO* U 12 2HO* U 12 30.897 19.762 -8.513 127 H1* U 12 H1* U 12 27.963 19.335 -6.799 128 H3 U 12 H3 U 12 26.189 23.165 -8.514 129 H5 U 12 H5 U 12 27.538 24.274 -4.676 130 H6 U 12 H6 U 12 28.572 22.089 -4.477 131 1H5* A 13 1H5* A 13 32.935 14.792 -8.430 132 2H5* A 13 2H5* A 13 31.459 14.479 -9.361 133 H4* A 13 H4* A 13 32.122 13.585 -6.705 134 H3* A 13 H3* A 13 30.597 12.651 -8.776 135 1H2* A 13 1H2* A 13 28.805 14.171 -8.555 136 2HO* A 13 2HO* A 13 27.113 13.050 -7.578 137 H1* A 13 H1* A 13 28.889 13.893 -5.545 138 H8 A 13 H8 A 13 28.535 16.473 -8.443 139 1H6 A 13 1H6 A 13 24.684 19.348 -4.592 140 2H6 A 13 2H6 A 13 25.278 19.298 -6.236 141 H2 A 13 H2 A 13 26.742 16.008 -2.386 142 1H5* C 14 1H5* C 14 32.760 10.149 -6.442 143 2H5* C 14 2H5* C 14 32.643 8.503 -5.802 144 H4* C 14 H4* C 14 33.410 10.270 -4.129 145 H3* C 14 H3* C 14 30.958 8.522 -3.665 146 1H2* C 14 1H2* C 14 30.658 9.504 -1.552 147 2HO* C 14 2HO* C 14 33.241 10.699 -1.834 148 H1* C 14 H1* C 14 31.285 12.112 -2.276 149 1H4 C 14 1H4 C 14 24.959 11.357 -4.017 150 2H4 C 14 2H4 C 14 24.895 11.407 -2.269 151 H5 C 14 H5 C 14 27.052 11.365 -5.273 152 H6 C 14 H6 C 14 29.493 11.166 -5.073 153 1H5* C 15 1H5* C 15 33.482 7.627 -0.241 154 2H5* C 15 2H5* C 15 33.711 5.872 -0.087 155 H4* C 15 H4* C 15 32.935 6.978 2.041 156 H3* C 15 H3* C 15 31.188 4.890 0.671 157 1H2* C 15 1H2* C 15 29.648 5.038 2.437 158 2HO* C 15 2HO* C 15 30.151 6.053 4.410 159 H1* C 15 H1* C 15 29.790 7.793 2.808 160 1H4 C 15 1H4 C 15 25.462 6.767 -2.115 161 2H4 C 15 2H4 C 15 24.565 6.338 -0.676 162 H5 C 15 H5 C 15 27.817 7.291 -2.097 163 H6 C 15 H6 C 15 29.813 7.528 -0.700 164 1H5* U 16 1H5* U 16 31.267 3.145 4.575 165 2H5* U 16 2H5* U 16 31.372 1.384 4.373 166 H4* U 16 H4* U 16 29.233 2.418 5.499 167 H3* U 16 H3* U 16 29.207 0.350 3.252 168 1H2* U 16 1H2* U 16 26.850 0.266 3.434 169 2HO* U 16 2HO* U 16 26.217 0.237 5.465 170 H1* U 16 H1* U 16 26.458 2.985 3.832 171 H3 U 16 H3 U 16 24.507 1.922 -0.173 172 H5 U 16 H5 U 16 28.627 2.171 -1.031 173 H6 U 16 H6 U 16 29.049 2.384 1.344 174 1H5* A 17 1H5* A 17 27.272 -0.780 7.302 175 2H5* A 17 2H5* A 17 27.706 -2.463 7.663 176 H4* A 17 H4* A 17 25.306 -1.809 8.227 177 H3* A 17 H3* A 17 25.951 -4.088 6.335 178 1H2* A 17 1H2* A 17 23.648 -4.543 6.147 179 2HO* A 17 2HO* A 17 23.157 -2.734 8.298 180 H1* A 17 H1* A 17 22.748 -1.930 6.077 181 H8 A 17 H8 A 17 25.686 -1.981 3.800 182 1H6 A 17 1H6 A 17 22.222 -4.709 -0.505 183 2H6 A 17 2H6 A 17 23.744 -3.906 -0.181 184 H2 A 17 H2 A 17 19.947 -4.807 3.372 185 1H5* U 18 1H5* U 18 23.591 -6.117 8.934 186 2H5* U 18 2H5* U 18 24.145 -7.781 9.204 187 H4* U 18 H4* U 18 21.953 -7.625 7.961 188 H3* U 18 H3* U 18 24.391 -8.873 6.611 189 1H2* U 18 1H2* U 18 23.041 -9.439 4.769 190 2HO* U 18 2HO* U 18 20.744 -8.707 6.304 191 H1* U 18 H1* U 18 21.544 -7.095 4.723 192 H3 U 18 H3 U 18 24.091 -7.400 0.882 193 H5 U 18 H5 U 18 26.630 -5.692 3.783 194 H6 U 18 H6 U 18 24.941 -6.158 5.457 195 1H5* G 19 1H5* G 19 22.497 -13.516 7.349 196 2H5* G 19 2H5* G 19 24.200 -14.044 7.369 197 H4* G 19 H4* G 19 22.505 -14.996 5.583 198 H3* G 19 H3* G 19 25.248 -13.841 4.863 199 1H2* G 19 1H2* G 19 24.858 -14.630 2.664 200 2HO* G 19 2HO* G 19 22.510 -15.969 3.581 201 H1* G 19 H1* G 19 22.184 -13.880 2.580 202 H8 G 19 H8 G 19 24.402 -11.191 4.116 203 H1 G 19 H1 G 19 24.548 -11.172 -2.261 204 1H2 G 19 1H2 G 19 22.768 -14.159 -2.015 205 2H2 G 19 2H2 G 19 23.498 -12.959 -3.059 206 1H5* C 20 1H5* C 20 25.440 -18.116 3.298 207 2H5* C 20 2H5* C 20 27.104 -18.628 3.647 208 H4* C 20 H4* C 20 26.417 -18.926 1.233 209 H3* C 20 H3* C 20 28.705 -16.997 1.880 210 1H2* C 20 1H2* C 20 29.080 -16.877 -0.459 211 2HO* C 20 2HO* C 20 28.081 -18.313 -1.915 212 H1* C 20 H1* C 20 26.390 -16.801 -1.167 213 1H4 C 20 1H4 C 20 28.324 -10.610 0.280 214 2H4 C 20 2H4 C 20 28.540 -10.788 -1.445 215 H5 C 20 H5 C 20 27.657 -12.429 1.722 216 H6 C 20 H6 C 20 27.059 -14.802 1.813 217 1H5* C 21 1H5* C 21 30.349 -20.208 -0.753 218 2H5* C 21 2H5* C 21 32.072 -20.435 -0.394 219 H4* C 21 H4* C 21 31.349 -19.772 -2.832 220 H3* C 21 H3* C 21 33.572 -18.410 -1.234 221 1H2* C 21 1H2* C 21 34.078 -17.135 -3.156 222 2HO* C 21 2HO* C 21 34.022 -18.726 -4.738 223 H1* C 21 H1* C 21 31.441 -16.702 -3.943 224 1H4 C 21 1H4 C 21 32.966 -12.050 0.549 225 2H4 C 21 2H4 C 21 33.336 -11.348 -1.009 226 H5 C 21 H5 C 21 32.277 -14.350 0.830 227 H6 C 21 H6 C 21 31.798 -16.457 -0.321 228 H3T C 21 H3T C 21 33.525 -20.296 -3.397 Start of MODEL 4 1 1H5* G 1 1H5* G 1 37.700 -9.275 -9.922 2 2H5* G 1 2H5* G 1 38.669 -9.286 -11.417 3 H4* G 1 H4* G 1 36.680 -9.758 -12.719 4 H3* G 1 H3* G 1 35.195 -9.007 -10.165 5 1H2* G 1 1H2* G 1 33.480 -10.512 -10.732 6 2HO* G 1 2HO* G 1 34.649 -10.755 -13.330 7 H1* G 1 H1* G 1 35.094 -12.527 -11.745 8 H8 G 1 H8 G 1 36.493 -11.112 -8.505 9 H1 G 1 H1 G 1 31.863 -15.394 -7.530 10 1H2 G 1 1H2 G 1 31.328 -15.149 -10.971 11 2H2 G 1 2H2 G 1 30.852 -15.878 -9.453 12 H5T G 1 H5T G 1 38.306 -7.173 -10.749 13 1H5* G 2 1H5* G 2 32.161 -8.422 -13.603 14 2H5* G 2 2H5* G 2 31.229 -6.980 -13.117 15 H4* G 2 H4* G 2 29.922 -9.129 -13.707 16 H3* G 2 H3* G 2 29.630 -7.738 -11.006 17 1H2* G 2 1H2* G 2 27.943 -9.280 -10.437 18 2HO* G 2 2HO* G 2 27.940 -10.183 -13.151 19 H1* G 2 H1* G 2 29.144 -11.521 -11.561 20 H8 G 2 H8 G 2 31.682 -9.471 -9.634 21 H1 G 2 H1 G 2 28.104 -13.123 -5.813 22 1H2 G 2 1H2 G 2 26.170 -13.677 -8.668 23 2H2 G 2 2H2 G 2 26.412 -13.998 -6.965 24 1H5* C 3 1H5* C 3 25.443 -7.181 -13.002 25 2H5* C 3 2H5* C 3 24.724 -5.756 -12.223 26 H4* C 3 H4* C 3 23.521 -8.084 -12.002 27 H3* C 3 H3* C 3 24.090 -6.173 -9.688 28 1H2* C 3 1H2* C 3 22.949 -7.657 -8.250 29 2HO* C 3 2HO* C 3 21.605 -9.296 -9.008 30 H1* C 3 H1* C 3 23.903 -10.018 -9.368 31 1H4 C 3 1H4 C 3 28.357 -7.858 -4.922 32 2H4 C 3 2H4 C 3 27.398 -9.071 -4.104 33 H5 C 3 H5 C 3 27.890 -7.097 -7.163 34 H6 C 3 H6 C 3 26.408 -7.331 -9.097 35 1H5* G 4 1H5* G 4 19.635 -7.024 -10.218 36 2H5* G 4 2H5* G 4 18.620 -5.733 -9.523 37 H4* G 4 H4* G 4 18.320 -8.247 -8.770 38 H3* G 4 H3* G 4 18.560 -5.863 -6.878 39 1H2* G 4 1H2* G 4 18.255 -7.326 -5.052 40 2HO* G 4 2HO* G 4 16.510 -8.526 -5.841 41 H1* G 4 H1* G 4 19.759 -9.434 -6.034 42 H8 G 4 H8 G 4 21.564 -6.134 -6.545 43 H1 G 4 H1 G 4 22.180 -8.390 -0.604 44 1H2 G 4 1H2 G 4 20.793 -10.097 -0.292 45 2H2 G 4 2H2 G 4 19.719 -10.676 -1.547 46 1H5* U 5 1H5* U 5 14.157 -7.313 -4.946 47 2H5* U 5 2H5* U 5 13.701 -5.598 -4.976 48 H4* U 5 H4* U 5 13.761 -6.867 -2.669 49 H3* U 5 H3* U 5 14.998 -4.138 -3.245 50 1H2* U 5 1H2* U 5 15.684 -3.981 -1.001 51 2HO* U 5 2HO* U 5 14.841 -5.258 0.632 52 H1* U 5 H1* U 5 16.426 -6.633 -0.656 53 H3 U 5 H3 U 5 20.180 -3.987 -0.308 54 H5 U 5 H5 U 5 19.621 -4.614 -4.441 55 H6 U 5 H6 U 5 17.461 -5.578 -3.936 56 1H5* A 6 1H5* A 6 12.300 -3.828 0.555 57 2H5* A 6 2H5* A 6 11.576 -2.211 0.426 58 H4* A 6 H4* A 6 12.768 -2.754 2.640 59 H3* A 6 H3* A 6 13.245 -0.340 0.909 60 1H2* A 6 1H2* A 6 15.201 0.251 1.891 61 2HO* A 6 2HO* A 6 14.098 -0.742 4.329 62 H1* A 6 H1* A 6 15.723 -2.176 3.408 63 H8 A 6 H8 A 6 16.135 -1.598 -0.390 64 1H6 A 6 1H6 A 6 22.147 -0.899 0.759 65 2H6 A 6 2H6 A 6 20.930 -1.009 -0.492 66 H2 A 6 H2 A 6 20.018 -1.322 4.695 67 1H5* A 7 1H5* A 7 12.950 3.894 3.781 68 2H5* A 7 2H5* A 7 14.003 3.040 2.633 69 H4* A 7 H4* A 7 14.443 3.135 5.658 70 H3* A 7 H3* A 7 15.616 4.754 3.355 71 1H2* A 7 1H2* A 7 17.705 4.762 4.431 72 2HO* A 7 2HO* A 7 16.408 3.744 6.766 73 H1* A 7 H1* A 7 17.639 2.153 5.365 74 H8 A 7 H8 A 7 16.410 2.543 1.765 75 1H6 A 7 1H6 A 7 22.275 2.005 -0.023 76 2H6 A 7 2H6 A 7 20.612 2.101 -0.559 77 H2 A 7 H2 A 7 22.222 2.264 4.463 78 1H5* G 8 1H5* G 8 16.370 7.900 6.919 79 2H5* G 8 2H5* G 8 16.515 9.380 5.933 80 H4* G 8 H4* G 8 18.528 8.535 7.426 81 H3* G 8 H3* G 8 18.803 9.287 4.470 82 1H2* G 8 1H2* G 8 21.141 9.046 4.752 83 2HO* G 8 2HO* G 8 22.119 8.924 6.763 84 H1* G 8 H1* G 8 20.996 6.758 6.320 85 H8 G 8 H8 G 8 18.602 6.672 3.351 86 H1 G 8 H1 G 8 24.568 5.048 1.769 87 1H2 G 8 1H2 G 8 25.381 6.096 4.999 88 2H2 G 8 2H2 G 8 25.940 5.436 3.479 89 1H5* G 9 1H5* G 9 21.694 12.293 6.188 90 2H5* G 9 2H5* G 9 21.659 13.639 5.019 91 H4* G 9 H4* G 9 23.874 12.258 5.428 92 H3* G 9 H3* G 9 22.726 12.828 2.654 93 1H2* G 9 1H2* G 9 24.732 11.897 1.782 94 2HO* G 9 2HO* G 9 25.789 11.716 4.421 95 H1* G 9 H1* G 9 24.840 9.771 3.558 96 H8 G 9 H8 G 9 21.262 10.017 2.518 97 H1 G 9 H1 G 9 24.858 7.664 -2.202 98 1H2 G 9 1H2 G 9 27.558 8.727 -0.256 99 2H2 G 9 2H2 G 9 27.016 7.957 -1.730 100 1H5* A 10 1H5* A 10 26.158 15.628 1.969 101 2H5* A 10 2H5* A 10 25.588 16.713 0.688 102 H4* A 10 H4* A 10 27.342 14.836 0.111 103 H3* A 10 H3* A 10 24.807 15.456 -1.477 104 1H2* A 10 1H2* A 10 25.381 13.768 -2.993 105 2HO* A 10 2HO* A 10 27.598 14.349 -3.227 106 H1* A 10 H1* A 10 26.364 11.926 -1.190 107 H8 A 10 H8 A 10 23.253 12.795 0.436 108 1H6 A 10 1H6 A 10 20.027 10.156 -4.108 109 2H6 A 10 2H6 A 10 19.952 10.769 -2.470 110 H2 A 10 H2 A 10 24.262 10.741 -5.517 111 1H5* U 11 1H5* U 11 26.352 14.303 -4.980 112 2H5* U 11 2H5* U 11 27.078 15.821 -5.525 113 H4* U 11 H4* U 11 25.980 14.835 -7.447 114 H3* U 11 H3* U 11 25.324 17.392 -6.686 115 1H2* U 11 1H2* U 11 23.396 16.868 -5.417 116 2HO* U 11 2HO* U 11 21.593 17.380 -6.774 117 H1* U 11 H1* U 11 22.467 14.946 -7.554 118 H3 U 11 H3 U 11 18.997 13.500 -5.113 119 H5 U 11 H5 U 11 21.730 14.717 -2.142 120 H6 U 11 H6 U 11 23.295 15.288 -3.902 121 1H5* U 12 1H5* U 12 27.349 15.520 -9.636 122 2H5* U 12 2H5* U 12 27.529 15.610 -11.395 123 H4* U 12 H4* U 12 26.409 13.498 -9.810 124 H3* U 12 H3* U 12 27.652 13.787 -12.203 125 1H2* U 12 1H2* U 12 25.920 14.597 -13.476 126 2HO* U 12 2HO* U 12 25.030 12.919 -14.682 127 H1* U 12 H1* U 12 23.837 12.846 -12.228 128 H3 U 12 H3 U 12 21.182 15.208 -15.085 129 H5 U 12 H5 U 12 22.816 18.132 -12.524 130 H6 U 12 H6 U 12 24.246 16.413 -11.580 131 1H5* A 13 1H5* A 13 29.332 8.610 -12.655 132 2H5* A 13 2H5* A 13 27.834 7.713 -12.959 133 H4* A 13 H4* A 13 29.054 8.353 -10.429 134 H3* A 13 H3* A 13 27.470 6.346 -11.403 135 1H2* A 13 1H2* A 13 25.453 7.565 -11.514 136 2HO* A 13 2HO* A 13 24.200 6.929 -9.739 137 H1* A 13 H1* A 13 26.033 8.848 -8.839 138 H8 A 13 H8 A 13 24.748 9.590 -12.447 139 1H6 A 13 1H6 A 13 20.987 13.569 -9.624 140 2H6 A 13 2H6 A 13 21.340 12.776 -11.143 141 H2 A 13 H2 A 13 23.961 11.987 -6.637 142 1H5* C 14 1H5* C 14 30.479 5.753 -8.740 143 2H5* C 14 2H5* C 14 30.865 4.610 -7.446 144 H4* C 14 H4* C 14 31.358 7.032 -6.886 145 H3* C 14 H3* C 14 29.415 5.367 -5.230 146 1H2* C 14 1H2* C 14 29.118 7.184 -3.767 147 2HO* C 14 2HO* C 14 31.269 7.798 -3.488 148 H1* C 14 H1* C 14 29.088 9.197 -5.679 149 1H4 C 14 1H4 C 14 22.924 6.822 -5.649 150 2H4 C 14 2H4 C 14 23.020 7.736 -4.160 151 H5 C 14 H5 C 14 24.835 6.472 -7.120 152 H6 C 14 H6 C 14 27.269 6.737 -7.322 153 1H5* C 15 1H5* C 15 32.942 5.732 -2.176 154 2H5* C 15 2H5* C 15 33.100 4.093 -1.508 155 H4* C 15 H4* C 15 32.678 5.938 0.211 156 H3* C 15 H3* C 15 30.803 3.553 -0.099 157 1H2* C 15 1H2* C 15 29.515 4.338 1.698 158 2HO* C 15 2HO* C 15 31.044 4.865 3.206 159 H1* C 15 H1* C 15 29.628 7.045 1.076 160 1H4 C 15 1H4 C 15 24.766 4.422 -2.607 161 2H4 C 15 2H4 C 15 24.066 4.520 -1.008 162 H5 C 15 H5 C 15 27.082 4.909 -3.068 163 H6 C 15 H6 C 15 29.221 5.601 -2.099 164 1H5* U 16 1H5* U 16 31.255 2.785 4.190 165 2H5* U 16 2H5* U 16 31.270 1.010 4.233 166 H4* U 16 H4* U 16 29.242 2.301 5.301 167 H3* U 16 H3* U 16 29.006 -0.060 3.378 168 1H2* U 16 1H2* U 16 26.662 0.006 3.661 169 2HO* U 16 2HO* U 16 27.041 1.860 5.803 170 H1* U 16 H1* U 16 26.408 2.771 3.675 171 H3 U 16 H3 U 16 24.259 1.192 -0.062 172 H5 U 16 H5 U 16 28.346 1.213 -1.099 173 H6 U 16 H6 U 16 28.867 1.731 1.208 174 1H5* A 17 1H5* A 17 27.112 -1.228 7.606 175 2H5* A 17 2H5* A 17 27.634 -2.915 7.804 176 H4* A 17 H4* A 17 25.188 -2.491 8.332 177 H3* A 17 H3* A 17 25.994 -4.449 6.158 178 1H2* A 17 1H2* A 17 23.707 -5.006 5.906 179 2HO* A 17 2HO* A 17 22.138 -4.413 7.416 180 H1* A 17 H1* A 17 22.699 -2.444 6.121 181 H8 A 17 H8 A 17 25.744 -2.205 3.955 182 1H6 A 17 1H6 A 17 22.421 -4.331 -0.770 183 2H6 A 17 2H6 A 17 23.939 -3.605 -0.292 184 H2 A 17 H2 A 17 19.983 -4.845 2.975 185 1H5* U 18 1H5* U 18 23.691 -6.995 8.245 186 2H5* U 18 2H5* U 18 24.371 -8.635 8.268 187 H4* U 18 H4* U 18 22.234 -8.429 6.936 188 H3* U 18 H3* U 18 24.828 -9.251 5.549 189 1H2* U 18 1H2* U 18 23.605 -9.605 3.570 190 2HO* U 18 2HO* U 18 21.378 -9.799 3.523 191 H1* U 18 H1* U 18 21.926 -7.403 3.819 192 H3 U 18 H3 U 18 24.639 -6.913 0.112 193 H5 U 18 H5 U 18 26.905 -5.480 3.370 194 H6 U 18 H6 U 18 25.197 -6.333 4.863 195 1H5* G 19 1H5* G 19 21.959 -13.139 5.144 196 2H5* G 19 2H5* G 19 23.187 -14.410 4.903 197 H4* G 19 H4* G 19 21.259 -14.043 3.138 198 H3* G 19 H3* G 19 24.226 -14.228 2.416 199 1H2* G 19 1H2* G 19 23.568 -14.211 0.144 200 2HO* G 19 2HO* G 19 21.828 -15.319 -0.309 201 H1* G 19 H1* G 19 21.592 -12.284 0.426 202 H8 G 19 H8 G 19 24.719 -11.308 2.338 203 H1 G 19 H1 G 19 25.211 -10.115 -3.911 204 1H2 G 19 1H2 G 19 22.261 -11.958 -4.185 205 2H2 G 19 2H2 G 19 23.510 -11.047 -5.000 206 1H5* C 20 1H5* C 20 22.068 -17.597 0.134 207 2H5* C 20 2H5* C 20 23.297 -18.838 -0.181 208 H4* C 20 H4* C 20 22.053 -17.755 -2.215 209 H3* C 20 H3* C 20 25.099 -17.990 -2.021 210 1H2* C 20 1H2* C 20 25.185 -17.206 -4.254 211 2HO* C 20 2HO* C 20 22.343 -17.418 -4.420 212 H1* C 20 H1* C 20 23.182 -15.292 -3.968 213 1H4 C 20 1H4 C 20 28.897 -12.587 -1.917 214 2H4 C 20 2H4 C 20 28.785 -12.212 -3.620 215 H5 C 20 H5 C 20 27.320 -14.011 -0.772 216 H6 C 20 H6 C 20 25.300 -15.373 -1.015 217 1H5* C 21 1H5* C 21 23.739 -20.153 -5.661 218 2H5* C 21 2H5* C 21 24.805 -21.533 -5.989 219 H4* C 21 H4* C 21 24.489 -19.693 -7.838 220 H3* C 21 H3* C 21 27.179 -20.805 -6.910 221 1H2* C 21 1H2* C 21 28.224 -19.513 -8.586 222 2HO* C 21 2HO* C 21 26.858 -19.941 -10.323 223 H1* C 21 H1* C 21 26.625 -17.252 -8.292 224 1H4 C 21 1H4 C 21 31.525 -16.860 -3.816 225 2H4 C 21 2H4 C 21 32.088 -15.984 -5.222 226 H5 C 21 H5 C 21 29.448 -18.097 -3.774 227 H6 C 21 H6 C 21 27.475 -18.754 -5.068 228 H3T C 21 H3T C 21 25.769 -22.243 -7.988 Start of MODEL 5 1 1H5* G 1 1H5* G 1 35.862 -18.308 -6.169 2 2H5* G 1 2H5* G 1 34.979 -16.885 -6.781 3 H4* G 1 H4* G 1 33.834 -19.115 -7.167 4 H3* G 1 H3* G 1 32.527 -17.018 -5.381 5 1H2* G 1 1H2* G 1 30.655 -18.417 -5.123 6 2HO* G 1 2HO* G 1 30.262 -20.192 -6.465 7 H1* G 1 H1* G 1 32.029 -20.819 -4.929 8 H8 G 1 H8 G 1 33.806 -18.273 -2.804 9 H1 G 1 H1 G 1 28.504 -20.442 0.016 10 1H2 G 1 1H2 G 1 27.791 -21.843 -3.102 11 2H2 G 1 2H2 G 1 27.291 -21.606 -1.443 12 H5T G 1 H5T G 1 34.609 -16.231 -4.787 13 1H5* G 2 1H5* G 2 29.470 -17.957 -8.654 14 2H5* G 2 2H5* G 2 28.570 -16.442 -8.930 15 H4* G 2 H4* G 2 27.256 -18.599 -8.291 16 H3* G 2 H3* G 2 27.000 -15.972 -6.757 17 1H2* G 2 1H2* G 2 25.312 -16.954 -5.439 18 2HO* G 2 2HO* G 2 24.097 -17.964 -7.046 19 H1* G 2 H1* G 2 26.503 -19.453 -5.188 20 H8 G 2 H8 G 2 29.084 -16.734 -4.686 21 H1 G 2 H1 G 2 25.486 -17.628 0.510 22 1H2 G 2 1H2 G 2 23.508 -19.608 -1.580 23 2H2 G 2 2H2 G 2 23.764 -18.954 0.022 24 1H5* C 3 1H5* C 3 22.739 -15.824 -9.009 25 2H5* C 3 2H5* C 3 22.481 -14.067 -9.037 26 H4* C 3 H4* C 3 20.786 -15.592 -7.728 27 H3* C 3 H3* C 3 22.066 -13.047 -6.625 28 1H2* C 3 1H2* C 3 20.767 -13.307 -4.673 29 2HO* C 3 2HO* C 3 19.288 -15.362 -5.999 30 H1* C 3 H1* C 3 20.985 -16.073 -4.483 31 1H4 C 3 1H4 C 3 26.303 -13.348 -1.558 32 2H4 C 3 2H4 C 3 25.166 -13.697 -0.277 33 H5 C 3 H5 C 3 25.795 -13.672 -3.898 34 H6 C 3 H6 C 3 24.093 -14.391 -5.501 35 1H5* G 4 1H5* G 4 17.578 -12.814 -6.646 36 2H5* G 4 2H5* G 4 16.973 -11.139 -6.721 37 H4* G 4 H4* G 4 16.255 -12.756 -4.757 38 H3* G 4 H3* G 4 17.277 -9.900 -4.390 39 1H2* G 4 1H2* G 4 16.891 -10.111 -2.072 40 2HO* G 4 2HO* G 4 14.847 -11.051 -2.097 41 H1* G 4 H1* G 4 17.762 -12.728 -1.820 42 H8 G 4 H8 G 4 20.168 -10.738 -3.967 43 H1 G 4 H1 G 4 21.010 -9.700 2.275 44 1H2 G 4 1H2 G 4 19.332 -10.589 3.427 45 2H2 G 4 2H2 G 4 18.008 -11.434 2.656 46 1H5* U 5 1H5* U 5 13.063 -9.215 -2.080 47 2H5* U 5 2H5* U 5 12.787 -7.660 -2.891 48 H4* U 5 H4* U 5 12.852 -7.637 -0.305 49 H3* U 5 H3* U 5 14.590 -5.844 -2.055 50 1H2* U 5 1H2* U 5 15.466 -4.819 -0.127 51 2HO* U 5 2HO* U 5 13.428 -6.129 1.391 52 H1* U 5 H1* U 5 15.648 -7.097 1.447 53 H3 U 5 H3 U 5 19.914 -5.577 0.681 54 H5 U 5 H5 U 5 18.910 -7.854 -2.722 55 H6 U 5 H6 U 5 16.631 -7.927 -1.919 56 1H5* A 6 1H5* A 6 11.874 -3.735 0.918 57 2H5* A 6 2H5* A 6 11.498 -2.060 0.466 58 H4* A 6 H4* A 6 12.564 -2.600 2.834 59 H3* A 6 H3* A 6 12.935 -0.330 0.961 60 1H2* A 6 1H2* A 6 15.102 0.091 1.427 61 2HO* A 6 2HO* A 6 15.663 0.306 3.758 62 H1* A 6 H1* A 6 15.500 -1.958 3.530 63 H8 A 6 H8 A 6 16.101 -2.331 -0.239 64 1H6 A 6 1H6 A 6 22.053 -1.220 0.904 65 2H6 A 6 2H6 A 6 20.889 -1.676 -0.320 66 H2 A 6 H2 A 6 19.767 -0.641 4.731 67 1H5* A 7 1H5* A 7 12.939 4.042 4.069 68 2H5* A 7 2H5* A 7 13.824 3.355 2.688 69 H4* A 7 H4* A 7 14.733 3.325 5.610 70 H3* A 7 H3* A 7 15.579 4.907 3.143 71 1H2* A 7 1H2* A 7 17.812 4.849 3.880 72 2HO* A 7 2HO* A 7 16.854 3.896 6.399 73 H1* A 7 H1* A 7 17.813 2.246 4.850 74 H8 A 7 H8 A 7 16.081 2.596 1.466 75 1H6 A 7 1H6 A 7 21.617 1.887 -1.144 76 2H6 A 7 2H6 A 7 19.896 1.996 -1.435 77 H2 A 7 H2 A 7 22.224 2.295 3.291 78 1H5* G 8 1H5* G 8 16.582 7.240 7.231 79 2H5* G 8 2H5* G 8 16.953 8.926 6.783 80 H4* G 8 H4* G 8 18.680 7.480 8.165 81 H3* G 8 H3* G 8 19.337 9.137 5.692 82 1H2* G 8 1H2* G 8 21.599 8.531 5.897 83 2HO* G 8 2HO* G 8 21.006 7.453 8.476 84 H1* G 8 H1* G 8 21.202 5.888 6.634 85 H8 G 8 H8 G 8 18.923 7.027 3.788 86 H1 G 8 H1 G 8 24.714 5.261 1.775 87 1H2 G 8 1H2 G 8 25.527 5.182 5.173 88 2H2 G 8 2H2 G 8 26.063 4.955 3.524 89 1H5* G 9 1H5* G 9 22.283 10.773 8.497 90 2H5* G 9 2H5* G 9 22.590 12.469 8.036 91 H4* G 9 H4* G 9 24.499 10.653 7.862 92 H3* G 9 H3* G 9 23.761 12.606 5.641 93 1H2* G 9 1H2* G 9 25.564 11.744 4.380 94 2HO* G 9 2HO* G 9 27.191 10.485 5.283 95 H1* G 9 H1* G 9 25.207 9.076 5.058 96 H8 G 9 H8 G 9 21.782 10.268 4.275 97 H1 G 9 H1 G 9 25.275 9.756 -1.038 98 1H2 G 9 1H2 G 9 27.996 9.571 1.139 99 2H2 G 9 2H2 G 9 27.431 9.583 -0.517 100 1H5* A 10 1H5* A 10 27.785 14.207 6.148 101 2H5* A 10 2H5* A 10 27.757 15.883 5.569 102 H4* A 10 H4* A 10 28.877 14.015 4.083 103 H3* A 10 H3* A 10 26.901 16.135 3.125 104 1H2* A 10 1H2* A 10 27.050 15.273 0.960 105 2HO* A 10 2HO* A 10 28.715 13.932 0.269 106 H1* A 10 H1* A 10 27.160 12.591 1.584 107 H8 A 10 H8 A 10 24.337 13.431 3.599 108 1H6 A 10 1H6 A 10 20.960 14.853 -1.361 109 2H6 A 10 2H6 A 10 20.904 14.474 0.346 110 H2 A 10 H2 A 10 25.295 14.710 -2.580 111 1H5* U 11 1H5* U 11 28.698 16.266 -0.564 112 2H5* U 11 2H5* U 11 29.990 17.411 -0.165 113 H4* U 11 H4* U 11 29.147 17.921 -2.416 114 H3* U 11 H3* U 11 29.355 19.832 -0.447 115 1H2* U 11 1H2* U 11 27.139 19.828 0.271 116 2HO* U 11 2HO* U 11 26.164 21.676 -0.599 117 H1* U 11 H1* U 11 26.108 19.699 -2.567 118 H3 U 11 H3 U 11 21.886 19.417 -1.046 119 H5 U 11 H5 U 11 24.016 17.089 1.751 120 H6 U 11 H6 U 11 26.058 17.643 0.564 121 1H5* U 12 1H5* U 12 30.150 20.049 -6.087 122 2H5* U 12 2H5* U 12 28.878 20.384 -4.900 123 H4* U 12 H4* U 12 29.156 17.513 -5.192 124 H3* U 12 H3* U 12 29.869 18.669 -7.543 125 1H2* U 12 1H2* U 12 28.051 20.057 -7.880 126 2HO* U 12 2HO* U 12 26.680 19.110 -9.385 127 H1* U 12 H1* U 12 25.995 18.097 -6.960 128 H3 U 12 H3 U 12 23.351 21.737 -7.794 129 H5 U 12 H5 U 12 25.929 22.985 -4.697 130 H6 U 12 H6 U 12 27.166 20.915 -4.976 131 1H5* A 13 1H5* A 13 30.312 14.060 -10.597 132 2H5* A 13 2H5* A 13 28.596 13.731 -10.853 133 H4* A 13 H4* A 13 30.362 12.702 -8.840 134 H3* A 13 H3* A 13 28.143 11.783 -10.126 135 1H2* A 13 1H2* A 13 26.552 13.222 -9.054 136 2HO* A 13 2HO* A 13 25.493 11.947 -7.481 137 H1* A 13 H1* A 13 27.923 12.723 -6.405 138 H8 A 13 H8 A 13 26.039 15.352 -8.559 139 1H6 A 13 1H6 A 13 24.778 17.992 -3.153 140 2H6 A 13 2H6 A 13 24.378 17.954 -4.854 141 H2 A 13 H2 A 13 27.854 14.764 -2.480 142 1H5* C 14 1H5* C 14 31.162 9.602 -7.707 143 2H5* C 14 2H5* C 14 31.200 8.091 -6.787 144 H4* C 14 H4* C 14 31.872 10.265 -5.544 145 H3* C 14 H3* C 14 29.795 8.276 -4.541 146 1H2* C 14 1H2* C 14 29.543 9.553 -2.576 147 2HO* C 14 2HO* C 14 31.691 9.976 -2.080 148 H1* C 14 H1* C 14 29.597 12.054 -3.759 149 1H4 C 14 1H4 C 14 23.434 9.801 -4.630 150 2H4 C 14 2H4 C 14 23.500 10.191 -2.925 151 H5 C 14 H5 C 14 25.384 9.889 -6.086 152 H6 C 14 H6 C 14 27.805 10.343 -6.187 153 1H5* C 15 1H5* C 15 33.007 7.542 -1.387 154 2H5* C 15 2H5* C 15 33.183 5.775 -1.313 155 H4* C 15 H4* C 15 32.580 6.899 0.897 156 H3* C 15 H3* C 15 30.802 4.763 -0.359 157 1H2* C 15 1H2* C 15 29.381 4.871 1.503 158 2HO* C 15 2HO* C 15 29.980 5.821 3.452 159 H1* C 15 H1* C 15 29.476 7.625 1.882 160 1H4 C 15 1H4 C 15 24.827 6.502 -2.713 161 2H4 C 15 2H4 C 15 24.066 5.990 -1.223 162 H5 C 15 H5 C 15 27.149 7.141 -2.858 163 H6 C 15 H6 C 15 29.235 7.440 -1.607 164 1H5* U 16 1H5* U 16 31.157 3.209 3.555 165 2H5* U 16 2H5* U 16 31.304 1.442 3.494 166 H4* U 16 H4* U 16 29.214 2.516 4.680 167 H3* U 16 H3* U 16 29.113 0.248 2.639 168 1H2* U 16 1H2* U 16 26.773 0.119 2.959 169 2HO* U 16 2HO* U 16 25.732 1.099 4.707 170 H1* U 16 H1* U 16 26.309 2.848 3.141 171 H3 U 16 H3 U 16 24.180 1.401 -0.643 172 H5 U 16 H5 U 16 28.243 1.624 -1.740 173 H6 U 16 H6 U 16 28.785 2.072 0.577 174 1H5* A 17 1H5* A 17 27.609 -0.497 6.923 175 2H5* A 17 2H5* A 17 27.918 -2.167 7.440 176 H4* A 17 H4* A 17 25.604 -1.190 8.013 177 H3* A 17 H3* A 17 25.994 -3.793 6.509 178 1H2* A 17 1H2* A 17 23.654 -4.087 6.472 179 2HO* A 17 2HO* A 17 22.378 -3.341 8.000 180 H1* A 17 H1* A 17 22.946 -1.458 5.992 181 H8 A 17 H8 A 17 25.785 -2.115 3.680 182 1H6 A 17 1H6 A 17 21.982 -5.233 -0.022 183 2H6 A 17 2H6 A 17 23.569 -4.513 0.133 184 H2 A 17 H2 A 17 19.834 -4.499 3.862 185 1H5* U 18 1H5* U 18 23.634 -5.045 9.599 186 2H5* U 18 2H5* U 18 24.057 -6.657 10.211 187 H4* U 18 H4* U 18 21.790 -6.530 9.081 188 H3* U 18 H3* U 18 23.990 -8.344 7.998 189 1H2* U 18 1H2* U 18 22.506 -9.155 6.367 190 2HO* U 18 2HO* U 18 20.691 -9.515 7.657 191 H1* U 18 H1* U 18 21.245 -6.744 5.798 192 H3 U 18 H3 U 18 23.600 -8.312 2.122 193 H5 U 18 H5 U 18 26.353 -6.056 4.387 194 H6 U 18 H6 U 18 24.709 -5.934 6.164 195 1H5* G 19 1H5* G 19 20.383 -11.123 9.585 196 2H5* G 19 2H5* G 19 21.216 -12.617 10.090 197 H4* G 19 H4* G 19 19.161 -12.816 8.519 198 H3* G 19 H3* G 19 21.890 -13.991 7.830 199 1H2* G 19 1H2* G 19 20.965 -14.929 5.882 200 2HO* G 19 2HO* G 19 18.373 -14.242 6.871 201 H1* G 19 H1* G 19 19.348 -12.781 5.200 202 H8 G 19 H8 G 19 22.749 -11.523 6.248 203 H1 G 19 H1 G 19 22.794 -13.878 0.321 204 1H2 G 19 1H2 G 19 19.605 -15.068 1.093 205 2H2 G 19 2H2 G 19 20.883 -14.941 -0.095 206 1H5* C 20 1H5* C 20 19.088 -17.543 7.571 207 2H5* C 20 2H5* C 20 20.051 -18.945 8.080 208 H4* C 20 H4* C 20 19.004 -19.045 5.724 209 H3* C 20 H3* C 20 22.010 -19.398 6.173 210 1H2* C 20 1H2* C 20 22.178 -19.962 3.880 211 2HO* C 20 2HO* C 20 19.326 -20.014 3.722 212 H1* C 20 H1* C 20 20.378 -18.045 2.968 213 1H4 C 20 1H4 C 20 26.332 -15.148 3.549 214 2H4 C 20 2H4 C 20 26.253 -15.738 1.905 215 H5 C 20 H5 C 20 24.626 -15.596 5.196 216 H6 C 20 H6 C 20 22.481 -16.698 5.617 217 1H5* C 21 1H5* C 21 20.318 -23.115 4.274 218 2H5* C 21 2H5* C 21 21.285 -24.528 4.744 219 H4* C 21 H4* C 21 20.995 -23.969 2.193 220 H3* C 21 H3* C 21 23.655 -24.595 3.561 221 1H2* C 21 1H2* C 21 24.696 -24.504 1.445 222 2HO* C 21 2HO* C 21 23.237 -25.701 0.225 223 H1* C 21 H1* C 21 23.250 -22.333 0.470 224 1H4 C 21 1H4 C 21 28.363 -19.959 3.992 225 2H4 C 21 2H4 C 21 28.905 -20.005 2.329 226 H5 C 21 H5 C 21 26.232 -20.833 4.710 227 H6 C 21 H6 C 21 24.169 -21.937 3.991 228 H3T C 21 H3T C 21 22.155 -26.295 3.461 Start of MODEL 6 1 1H5* G 1 1H5* G 1 36.388 -7.934 -7.117 2 2H5* G 1 2H5* G 1 37.404 -8.001 -8.580 3 H4* G 1 H4* G 1 35.827 -9.464 -9.649 4 H3* G 1 H3* G 1 33.901 -8.512 -7.487 5 1H2* G 1 1H2* G 1 32.782 -10.579 -7.587 6 2HO* G 1 2HO* G 1 33.032 -12.023 -9.294 7 H1* G 1 H1* G 1 35.021 -12.186 -7.887 8 H8 G 1 H8 G 1 35.451 -9.459 -5.245 9 H1 G 1 H1 G 1 32.471 -14.648 -3.017 10 1H2 G 1 1H2 G 1 32.384 -15.655 -6.360 11 2H2 G 1 2H2 G 1 31.977 -16.021 -4.698 12 H5T G 1 H5T G 1 35.807 -6.796 -9.655 13 1H5* G 2 1H5* G 2 31.452 -9.926 -11.165 14 2H5* G 2 2H5* G 2 29.917 -9.018 -11.126 15 H4* G 2 H4* G 2 29.853 -11.624 -11.176 16 H3* G 2 H3* G 2 28.409 -9.936 -9.085 17 1H2* G 2 1H2* G 2 27.489 -11.896 -8.164 18 2HO* G 2 2HO* G 2 28.433 -13.330 -10.452 19 H1* G 2 H1* G 2 29.746 -13.497 -8.428 20 H8 G 2 H8 G 2 30.540 -10.005 -7.116 21 H1 G 2 H1 G 2 28.598 -13.993 -2.526 22 1H2 G 2 1H2 G 2 27.814 -16.150 -5.159 23 2H2 G 2 2H2 G 2 27.840 -15.881 -3.431 24 1H5* C 3 1H5* C 3 24.274 -11.177 -11.454 25 2H5* C 3 2H5* C 3 23.451 -9.660 -11.039 26 H4* C 3 H4* C 3 22.434 -11.938 -10.211 27 H3* C 3 H3* C 3 22.883 -9.482 -8.450 28 1H2* C 3 1H2* C 3 21.835 -10.639 -6.680 29 2HO* C 3 2HO* C 3 21.040 -12.652 -8.547 30 H1* C 3 H1* C 3 22.962 -13.127 -7.203 31 1H4 C 3 1H4 C 3 27.234 -9.626 -3.494 32 2H4 C 3 2H4 C 3 26.362 -10.663 -2.388 33 H5 C 3 H5 C 3 26.720 -9.476 -5.849 34 H6 C 3 H6 C 3 25.264 -10.288 -7.640 35 1H5* G 4 1H5* G 4 18.368 -10.464 -8.523 36 2H5* G 4 2H5* G 4 17.466 -8.971 -8.150 37 H4* G 4 H4* G 4 17.145 -11.148 -6.691 38 H3* G 4 H3* G 4 17.662 -8.355 -5.566 39 1H2* G 4 1H2* G 4 17.417 -9.245 -3.394 40 2HO* G 4 2HO* G 4 16.479 -11.684 -4.547 41 H1* G 4 H1* G 4 18.747 -11.631 -3.861 42 H8 G 4 H8 G 4 20.660 -8.721 -5.359 43 H1 G 4 H1 G 4 21.581 -9.299 0.930 44 1H2 G 4 1H2 G 4 20.143 -10.766 1.776 45 2H2 G 4 2H2 G 4 18.961 -11.597 0.789 46 1H5* U 5 1H5* U 5 13.348 -8.713 -3.086 47 2H5* U 5 2H5* U 5 13.034 -7.046 -3.612 48 H4* U 5 H4* U 5 13.186 -7.565 -1.038 49 H3* U 5 H3* U 5 14.606 -5.284 -2.480 50 1H2* U 5 1H2* U 5 15.472 -4.539 -0.422 51 2HO* U 5 2HO* U 5 14.653 -5.200 1.561 52 H1* U 5 H1* U 5 16.002 -7.038 0.668 53 H3 U 5 H3 U 5 19.998 -4.849 0.057 54 H5 U 5 H5 U 5 19.073 -6.559 -3.686 55 H6 U 5 H6 U 5 16.875 -7.090 -2.828 56 1H5* A 6 1H5* A 6 12.061 -3.880 1.073 57 2H5* A 6 2H5* A 6 11.476 -2.236 0.751 58 H4* A 6 H4* A 6 12.749 -2.684 2.987 59 H3* A 6 H3* A 6 13.046 -0.410 1.066 60 1H2* A 6 1H2* A 6 15.154 0.148 1.658 61 2HO* A 6 2HO* A 6 14.272 -0.299 4.334 62 H1* A 6 H1* A 6 15.666 -2.034 3.569 63 H8 A 6 H8 A 6 16.113 -2.066 -0.258 64 1H6 A 6 1H6 A 6 22.114 -1.125 0.782 65 2H6 A 6 2H6 A 6 20.904 -1.448 -0.440 66 H2 A 6 H2 A 6 19.968 -0.911 4.724 67 1H5* A 7 1H5* A 7 12.981 3.998 3.970 68 2H5* A 7 2H5* A 7 13.906 3.189 2.686 69 H4* A 7 H4* A 7 14.695 3.280 5.639 70 H3* A 7 H3* A 7 15.607 4.849 3.190 71 1H2* A 7 1H2* A 7 17.807 4.852 4.023 72 2HO* A 7 2HO* A 7 18.302 4.343 6.167 73 H1* A 7 H1* A 7 17.821 2.262 5.021 74 H8 A 7 H8 A 7 16.231 2.559 1.559 75 1H6 A 7 1H6 A 7 21.883 1.901 -0.803 76 2H6 A 7 2H6 A 7 20.175 1.992 -1.170 77 H2 A 7 H2 A 7 22.291 2.326 3.651 78 1H5* G 8 1H5* G 8 16.434 7.421 7.121 79 2H5* G 8 2H5* G 8 16.766 9.089 6.583 80 H4* G 8 H4* G 8 18.548 7.741 7.992 81 H3* G 8 H3* G 8 19.131 9.274 5.418 82 1H2* G 8 1H2* G 8 21.405 8.710 5.630 83 2HO* G 8 2HO* G 8 20.852 7.786 8.278 84 H1* G 8 H1* G 8 21.054 6.114 6.534 85 H8 G 8 H8 G 8 18.758 7.016 3.623 86 H1 G 8 H1 G 8 24.601 5.271 1.733 87 1H2 G 8 1H2 G 8 25.395 5.394 5.134 88 2H2 G 8 2H2 G 8 25.943 5.082 3.503 89 1H5* G 9 1H5* G 9 22.067 10.856 8.292 90 2H5* G 9 2H5* G 9 22.508 12.523 7.838 91 H4* G 9 H4* G 9 24.312 10.587 7.815 92 H3* G 9 H3* G 9 23.852 12.537 5.512 93 1H2* G 9 1H2* G 9 25.741 11.568 4.447 94 2HO* G 9 2HO* G 9 27.154 11.386 6.185 95 H1* G 9 H1* G 9 25.104 8.944 5.039 96 H8 G 9 H8 G 9 21.844 10.431 4.066 97 H1 G 9 H1 G 9 25.630 9.800 -1.033 98 1H2 G 9 1H2 G 9 28.161 9.236 1.308 99 2H2 G 9 2H2 G 9 27.717 9.370 -0.379 100 1H5* A 10 1H5* A 10 27.836 14.260 6.363 101 2H5* A 10 2H5* A 10 27.764 15.919 5.741 102 H4* A 10 H4* A 10 29.093 14.085 4.395 103 H3* A 10 H3* A 10 27.085 16.064 3.224 104 1H2* A 10 1H2* A 10 27.465 15.160 1.102 105 2HO* A 10 2HO* A 10 29.250 13.888 0.597 106 H1* A 10 H1* A 10 27.671 12.505 1.815 107 H8 A 10 H8 A 10 24.641 13.323 3.569 108 1H6 A 10 1H6 A 10 21.640 14.192 -1.745 109 2H6 A 10 2H6 A 10 21.454 13.931 -0.024 110 H2 A 10 H2 A 10 26.062 14.213 -2.584 111 1H5* U 11 1H5* U 11 28.872 16.264 -0.343 112 2H5* U 11 2H5* U 11 30.058 17.536 -0.018 113 H4* U 11 H4* U 11 29.133 17.986 -2.211 114 H3* U 11 H3* U 11 29.017 19.930 -0.271 115 1H2* U 11 1H2* U 11 26.816 19.510 0.479 116 2HO* U 11 2HO* U 11 26.438 21.286 -1.737 117 H1* U 11 H1* U 11 25.845 19.233 -2.369 118 H3 U 11 H3 U 11 21.728 17.982 -1.111 119 H5 U 11 H5 U 11 24.090 16.634 2.110 120 H6 U 11 H6 U 11 26.045 17.477 0.951 121 1H5* U 12 1H5* U 12 31.037 19.034 -3.762 122 2H5* U 12 2H5* U 12 31.519 19.872 -5.247 123 H4* U 12 H4* U 12 29.588 17.772 -4.918 124 H3* U 12 H3* U 12 31.244 18.695 -6.864 125 1H2* U 12 1H2* U 12 30.054 20.546 -7.557 126 2HO* U 12 2HO* U 12 30.025 19.501 -9.470 127 H1* U 12 H1* U 12 27.376 19.234 -7.337 128 H3 U 12 H3 U 12 25.989 23.373 -8.629 129 H5 U 12 H5 U 12 28.021 24.053 -4.997 130 H6 U 12 H6 U 12 28.717 21.730 -5.026 131 1H5* A 13 1H5* A 13 32.024 13.692 -9.035 132 2H5* A 13 2H5* A 13 30.503 14.346 -9.668 133 H4* A 13 H4* A 13 31.032 12.820 -7.135 134 H3* A 13 H3* A 13 29.590 12.215 -9.386 135 1H2* A 13 1H2* A 13 27.991 13.967 -9.239 136 2HO* A 13 2HO* A 13 26.760 12.059 -9.228 137 H1* A 13 H1* A 13 27.751 13.480 -6.264 138 H8 A 13 H8 A 13 27.598 16.081 -9.110 139 1H6 A 13 1H6 A 13 24.358 19.471 -5.120 140 2H6 A 13 2H6 A 13 24.836 19.306 -6.795 141 H2 A 13 H2 A 13 26.188 16.007 -2.912 142 1H5* C 14 1H5* C 14 31.769 10.014 -7.269 143 2H5* C 14 2H5* C 14 31.882 8.344 -6.696 144 H4* C 14 H4* C 14 32.560 10.018 -4.957 145 H3* C 14 H3* C 14 30.137 8.230 -4.494 146 1H2* C 14 1H2* C 14 29.866 9.159 -2.351 147 2HO* C 14 2HO* C 14 32.009 9.081 -1.644 148 H1* C 14 H1* C 14 30.483 11.787 -3.008 149 1H4 C 14 1H4 C 14 24.098 11.086 -4.557 150 2H4 C 14 2H4 C 14 24.099 11.232 -2.813 151 H5 C 14 H5 C 14 26.147 10.994 -5.887 152 H6 C 14 H6 C 14 28.588 10.748 -5.762 153 1H5* C 15 1H5* C 15 33.170 6.955 -1.470 154 2H5* C 15 2H5* C 15 33.273 5.189 -1.322 155 H4* C 15 H4* C 15 32.810 6.424 0.860 156 H3* C 15 H3* C 15 30.884 4.332 -0.243 157 1H2* C 15 1H2* C 15 29.529 4.587 1.656 158 2HO* C 15 2HO* C 15 30.233 5.501 3.555 159 H1* C 15 H1* C 15 29.767 7.346 1.918 160 1H4 C 15 1H4 C 15 24.966 6.306 -2.540 161 2H4 C 15 2H4 C 15 24.205 5.901 -1.017 162 H5 C 15 H5 C 15 27.317 6.798 -2.750 163 H6 C 15 H6 C 15 29.438 7.026 -1.550 164 1H5* U 16 1H5* U 16 31.329 2.816 3.715 165 2H5* U 16 2H5* U 16 31.360 1.042 3.642 166 H4* U 16 H4* U 16 29.379 2.238 4.892 167 H3* U 16 H3* U 16 29.086 -0.004 2.845 168 1H2* U 16 1H2* U 16 26.752 0.015 3.197 169 2HO* U 16 2HO* U 16 26.281 0.152 5.270 170 H1* U 16 H1* U 16 26.457 2.767 3.415 171 H3 U 16 H3 U 16 24.194 1.425 -0.344 172 H5 U 16 H5 U 16 28.237 1.604 -1.527 173 H6 U 16 H6 U 16 28.838 1.959 0.793 174 1H5* A 17 1H5* A 17 27.387 -0.798 7.108 175 2H5* A 17 2H5* A 17 27.781 -2.479 7.523 176 H4* A 17 H4* A 17 25.424 -1.713 8.147 177 H3* A 17 H3* A 17 25.933 -4.103 6.353 178 1H2* A 17 1H2* A 17 23.605 -4.505 6.281 179 2HO* A 17 2HO* A 17 22.154 -3.379 7.681 180 H1* A 17 H1* A 17 22.792 -1.886 6.030 181 H8 A 17 H8 A 17 25.756 -2.197 3.792 182 1H6 A 17 1H6 A 17 22.210 -4.982 -0.402 183 2H6 A 17 2H6 A 17 23.766 -4.241 -0.100 184 H2 A 17 H2 A 17 19.886 -4.749 3.444 185 1H5* U 18 1H5* U 18 23.630 -5.962 9.099 186 2H5* U 18 2H5* U 18 24.170 -7.622 9.426 187 H4* U 18 H4* U 18 21.948 -7.467 8.219 188 H3* U 18 H3* U 18 24.332 -8.860 6.923 189 1H2* U 18 1H2* U 18 22.963 -9.474 5.114 190 2HO* U 18 2HO* U 18 20.696 -8.619 6.629 191 H1* U 18 H1* U 18 21.522 -7.103 4.948 192 H3 U 18 H3 U 18 24.052 -7.704 1.126 193 H5 U 18 H5 U 18 26.621 -5.846 3.908 194 H6 U 18 H6 U 18 24.930 -6.183 5.612 195 1H5* G 19 1H5* G 19 21.543 -13.046 7.700 196 2H5* G 19 2H5* G 19 23.040 -14.013 7.767 197 H4* G 19 H4* G 19 21.127 -14.594 6.040 198 H3* G 19 H3* G 19 24.078 -14.289 5.295 199 1H2* G 19 1H2* G 19 23.511 -15.043 3.126 200 2HO* G 19 2HO* G 19 21.523 -16.003 2.655 201 H1* G 19 H1* G 19 21.141 -13.606 2.935 202 H8 G 19 H8 G 19 23.915 -11.496 4.435 203 H1 G 19 H1 G 19 24.314 -11.876 -1.920 204 1H2 G 19 1H2 G 19 21.847 -14.326 -1.628 205 2H2 G 19 2H2 G 19 22.889 -13.402 -2.687 206 1H5* C 20 1H5* C 20 23.179 -18.480 3.870 207 2H5* C 20 2H5* C 20 24.599 -19.417 4.377 208 H4* C 20 H4* C 20 24.073 -19.646 1.927 209 H3* C 20 H3* C 20 26.718 -18.323 2.719 210 1H2* C 20 1H2* C 20 27.296 -18.400 0.421 211 2HO* C 20 2HO* C 20 26.139 -19.628 -1.079 212 H1* C 20 H1* C 20 24.777 -17.691 -0.528 213 1H4 C 20 1H4 C 20 28.036 -12.097 0.976 214 2H4 C 20 2H4 C 20 28.377 -12.403 -0.710 215 H5 C 20 H5 C 20 26.803 -13.631 2.374 216 H6 C 20 H6 C 20 25.637 -15.782 2.451 217 1H5* C 21 1H5* C 21 27.506 -22.105 0.349 218 2H5* C 21 2H5* C 21 29.098 -22.761 0.780 219 H4* C 21 H4* C 21 28.595 -22.170 -1.731 220 H3* C 21 H3* C 21 31.103 -21.323 -0.202 221 1H2* C 21 1H2* C 21 31.944 -20.419 -2.215 222 2HO* C 21 2HO* C 21 31.003 -20.883 -4.235 223 H1* C 21 H1* C 21 29.530 -19.362 -3.118 224 1H4 C 21 1H4 C 21 32.304 -14.922 0.978 225 2H4 C 21 2H4 C 21 32.781 -14.452 -0.637 226 H5 C 21 H5 C 21 31.066 -16.938 1.455 227 H6 C 21 H6 C 21 30.023 -18.930 0.489 228 H3T C 21 H3T C 21 31.934 -23.104 -1.339 Start of MODEL 7 1 1H5* G 1 1H5* G 1 38.200 -1.169 -8.859 2 2H5* G 1 2H5* G 1 36.633 -0.332 -8.699 3 H4* G 1 H4* G 1 36.702 -2.143 -10.467 4 H3* G 1 H3* G 1 34.872 -2.458 -8.049 5 1H2* G 1 1H2* G 1 34.039 -4.463 -8.955 6 2HO* G 1 2HO* G 1 34.331 -5.046 -11.111 7 H1* G 1 H1* G 1 36.438 -5.432 -9.952 8 H8 G 1 H8 G 1 36.747 -3.968 -6.438 9 H1 G 1 H1 G 1 34.699 -10.017 -6.447 10 1H2 G 1 1H2 G 1 34.433 -9.595 -9.905 11 2H2 G 1 2H2 G 1 34.237 -10.658 -8.530 12 H5T G 1 H5T G 1 37.570 -0.878 -6.679 13 1H5* G 2 1H5* G 2 32.344 -2.635 -11.922 14 2H5* G 2 2H5* G 2 30.706 -2.070 -11.501 15 H4* G 2 H4* G 2 31.042 -4.426 -12.610 16 H3* G 2 H3* G 2 29.429 -3.925 -10.070 17 1H2* G 2 1H2* G 2 28.829 -6.198 -10.026 18 2HO* G 2 2HO* G 2 29.912 -6.460 -12.660 19 H1* G 2 H1* G 2 31.290 -7.217 -10.821 20 H8 G 2 H8 G 2 31.793 -4.506 -8.235 21 H1 G 2 H1 G 2 30.027 -10.045 -5.601 22 1H2 G 2 1H2 G 2 29.382 -11.046 -8.884 23 2H2 G 2 2H2 G 2 29.380 -11.468 -7.186 24 1H5* C 3 1H5* C 3 25.504 -4.680 -12.937 25 2H5* C 3 2H5* C 3 24.449 -3.585 -12.020 26 H4* C 3 H4* C 3 23.798 -6.123 -12.218 27 H3* C 3 H3* C 3 23.851 -4.542 -9.604 28 1H2* C 3 1H2* C 3 22.958 -6.446 -8.527 29 2HO* C 3 2HO* C 3 21.356 -7.058 -9.955 30 H1* C 3 H1* C 3 24.474 -8.328 -9.906 31 1H4 C 3 1H4 C 3 28.088 -6.062 -4.798 32 2H4 C 3 2H4 C 3 27.315 -7.525 -4.230 33 H5 C 3 H5 C 3 27.649 -5.093 -6.967 34 H6 C 3 H6 C 3 26.372 -5.315 -9.042 35 1H5* G 4 1H5* G 4 19.476 -5.826 -10.411 36 2H5* G 4 2H5* G 4 18.392 -4.702 -9.549 37 H4* G 4 H4* G 4 18.286 -7.300 -9.095 38 H3* G 4 H3* G 4 18.432 -5.150 -6.931 39 1H2* G 4 1H2* G 4 18.244 -6.846 -5.300 40 2HO* G 4 2HO* G 4 17.563 -8.937 -5.790 41 H1* G 4 H1* G 4 19.855 -8.713 -6.567 42 H8 G 4 H8 G 4 21.485 -5.298 -6.685 43 H1 G 4 H1 G 4 22.271 -8.206 -1.056 44 1H2 G 4 1H2 G 4 20.971 -10.002 -0.941 45 2H2 G 4 2H2 G 4 19.911 -10.478 -2.249 46 1H5* U 5 1H5* U 5 14.111 -6.794 -5.094 47 2H5* U 5 2H5* U 5 13.647 -5.084 -4.972 48 H4* U 5 H4* U 5 13.787 -6.526 -2.779 49 H3* U 5 H3* U 5 15.007 -3.758 -3.177 50 1H2* U 5 1H2* U 5 15.765 -3.785 -0.948 51 2HO* U 5 2HO* U 5 14.974 -5.210 0.596 52 H1* U 5 H1* U 5 16.502 -6.453 -0.843 53 H3 U 5 H3 U 5 20.346 -4.031 -0.369 54 H5 U 5 H5 U 5 19.589 -4.064 -4.515 55 H6 U 5 H6 U 5 17.418 -5.022 -4.046 56 1H5* A 6 1H5* A 6 12.793 -3.697 0.892 57 2H5* A 6 2H5* A 6 11.819 -2.224 0.716 58 H4* A 6 H4* A 6 13.024 -2.165 2.854 59 H3* A 6 H3* A 6 13.943 -0.262 0.676 60 1H2* A 6 1H2* A 6 15.632 0.575 2.014 61 2HO* A 6 2HO* A 6 13.953 0.705 3.847 62 H1* A 6 H1* A 6 16.200 -1.741 3.511 63 H8 A 6 H8 A 6 16.095 -1.383 -0.340 64 1H6 A 6 1H6 A 6 22.228 -1.047 -0.142 65 2H6 A 6 2H6 A 6 20.825 -1.093 -1.184 66 H2 A 6 H2 A 6 20.716 -1.291 4.088 67 1H5* A 7 1H5* A 7 12.480 2.801 4.444 68 2H5* A 7 2H5* A 7 12.892 4.301 3.584 69 H4* A 7 H4* A 7 14.185 3.458 5.831 70 H3* A 7 H3* A 7 15.337 4.944 3.417 71 1H2* A 7 1H2* A 7 17.402 4.998 4.575 72 2HO* A 7 2HO* A 7 17.577 4.501 6.772 73 H1* A 7 H1* A 7 17.243 2.409 5.573 74 H8 A 7 H8 A 7 16.277 3.047 1.885 75 1H6 A 7 1H6 A 7 22.142 1.749 0.523 76 2H6 A 7 2H6 A 7 20.565 2.119 -0.136 77 H2 A 7 H2 A 7 21.731 1.766 4.999 78 1H5* G 8 1H5* G 8 16.373 8.070 6.821 79 2H5* G 8 2H5* G 8 16.592 9.534 5.826 80 H4* G 8 H4* G 8 18.589 8.547 7.250 81 H3* G 8 H3* G 8 18.818 9.266 4.283 82 1H2* G 8 1H2* G 8 21.146 8.875 4.499 83 2HO* G 8 2HO* G 8 22.156 8.649 6.501 84 H1* G 8 H1* G 8 20.886 6.599 6.072 85 H8 G 8 H8 G 8 18.405 6.683 3.177 86 H1 G 8 H1 G 8 24.205 4.705 1.399 87 1H2 G 8 1H2 G 8 25.178 5.663 4.613 88 2H2 G 8 2H2 G 8 25.650 4.987 3.071 89 1H5* G 9 1H5* G 9 21.926 12.189 5.956 90 2H5* G 9 2H5* G 9 21.905 13.511 4.763 91 H4* G 9 H4* G 9 24.103 12.121 5.198 92 H3* G 9 H3* G 9 22.961 12.625 2.411 93 1H2* G 9 1H2* G 9 24.987 11.686 1.581 94 2HO* G 9 2HO* G 9 26.489 12.628 2.965 95 H1* G 9 H1* G 9 25.052 9.584 3.381 96 H8 G 9 H8 G 9 21.480 9.877 2.329 97 H1 G 9 H1 G 9 25.041 7.397 -2.353 98 1H2 G 9 1H2 G 9 27.757 8.417 -0.407 99 2H2 G 9 2H2 G 9 27.202 7.643 -1.874 100 1H5* A 10 1H5* A 10 26.399 15.451 1.868 101 2H5* A 10 2H5* A 10 25.927 16.517 0.533 102 H4* A 10 H4* A 10 27.722 14.640 0.113 103 H3* A 10 H3* A 10 25.307 15.215 -1.667 104 1H2* A 10 1H2* A 10 26.031 13.525 -3.112 105 2HO* A 10 2HO* A 10 28.218 14.050 -3.267 106 H1* A 10 H1* A 10 26.888 11.718 -1.219 107 H8 A 10 H8 A 10 23.660 12.452 0.163 108 1H6 A 10 1H6 A 10 20.824 9.954 -4.710 109 2H6 A 10 2H6 A 10 20.622 10.492 -3.057 110 H2 A 10 H2 A 10 25.132 10.685 -5.805 111 1H5* U 11 1H5* U 11 26.717 13.893 -4.999 112 2H5* U 11 2H5* U 11 27.653 15.303 -5.514 113 H4* U 11 H4* U 11 26.566 14.494 -7.488 114 H3* U 11 H3* U 11 26.049 17.075 -6.698 115 1H2* U 11 1H2* U 11 24.025 16.672 -5.550 116 2HO* U 11 2HO* U 11 23.554 18.193 -7.205 117 H1* U 11 H1* U 11 23.090 14.833 -7.768 118 H3 U 11 H3 U 11 19.422 13.555 -5.531 119 H5 U 11 H5 U 11 22.114 14.423 -2.405 120 H6 U 11 H6 U 11 23.779 14.986 -4.074 121 1H5* U 12 1H5* U 12 27.717 14.296 -9.336 122 2H5* U 12 2H5* U 12 28.177 14.478 -11.029 123 H4* U 12 H4* U 12 26.663 12.379 -9.816 124 H3* U 12 H3* U 12 28.291 12.697 -11.971 125 1H2* U 12 1H2* U 12 26.843 13.797 -13.384 126 2HO* U 12 2HO* U 12 27.112 12.139 -14.723 127 H1* U 12 H1* U 12 24.426 12.204 -12.651 128 H3 U 12 H3 U 12 22.551 15.134 -15.612 129 H5 U 12 H5 U 12 24.011 17.578 -12.500 130 H6 U 12 H6 U 12 25.080 15.619 -11.547 131 1H5* A 13 1H5* A 13 29.297 7.355 -12.876 132 2H5* A 13 2H5* A 13 27.682 6.691 -13.180 133 H4* A 13 H4* A 13 28.980 7.148 -10.648 134 H3* A 13 H3* A 13 27.117 5.391 -11.617 135 1H2* A 13 1H2* A 13 25.296 6.891 -11.722 136 2HO* A 13 2HO* A 13 23.975 6.452 -9.929 137 H1* A 13 H1* A 13 26.064 8.069 -9.050 138 H8 A 13 H8 A 13 24.834 8.960 -12.641 139 1H6 A 13 1H6 A 13 21.697 13.433 -9.798 140 2H6 A 13 2H6 A 13 21.899 12.574 -11.308 141 H2 A 13 H2 A 13 24.535 11.534 -6.863 142 1H5* C 14 1H5* C 14 30.007 4.274 -9.042 143 2H5* C 14 2H5* C 14 30.227 3.125 -7.714 144 H4* C 14 H4* C 14 31.165 5.446 -7.279 145 H3* C 14 H3* C 14 29.044 4.197 -5.482 146 1H2* C 14 1H2* C 14 29.137 6.079 -4.074 147 2HO* C 14 2HO* C 14 31.482 6.910 -5.483 148 H1* C 14 H1* C 14 29.370 8.009 -6.060 149 1H4 C 14 1H4 C 14 22.889 6.794 -5.716 150 2H4 C 14 2H4 C 14 23.206 7.733 -4.274 151 H5 C 14 H5 C 14 24.643 6.032 -7.216 152 H6 C 14 H6 C 14 27.071 5.843 -7.514 153 1H5* C 15 1H5* C 15 32.511 4.208 -2.600 154 2H5* C 15 2H5* C 15 32.554 2.608 -1.831 155 H4* C 15 H4* C 15 32.298 4.530 -0.202 156 H3* C 15 H3* C 15 30.138 2.391 -0.441 157 1H2* C 15 1H2* C 15 28.954 3.404 1.318 158 2HO* C 15 2HO* C 15 29.881 4.916 2.706 159 H1* C 15 H1* C 15 29.426 6.048 0.584 160 1H4 C 15 1H4 C 15 24.243 3.922 -2.986 161 2H4 C 15 2H4 C 15 23.564 4.270 -1.413 162 H5 C 15 H5 C 15 26.608 3.997 -3.448 163 H6 C 15 H6 C 15 28.827 4.430 -2.508 164 1H5* U 16 1H5* U 16 30.824 2.266 3.816 165 2H5* U 16 2H5* U 16 30.908 0.558 4.293 166 H4* U 16 H4* U 16 29.085 2.070 5.401 167 H3* U 16 H3* U 16 28.450 -0.611 4.067 168 1H2* U 16 1H2* U 16 26.265 -0.397 4.964 169 2HO* U 16 2HO* U 16 26.740 0.327 7.044 170 H1* U 16 H1* U 16 26.020 2.317 4.398 171 H3 U 16 H3 U 16 23.076 -0.300 1.903 172 H5 U 16 H5 U 16 26.642 -0.055 -0.339 173 H6 U 16 H6 U 16 27.714 0.956 1.583 174 1H5* A 17 1H5* A 17 27.224 -2.125 8.285 175 2H5* A 17 2H5* A 17 27.737 -3.813 8.075 176 H4* A 17 H4* A 17 25.215 -3.354 8.484 177 H3* A 17 H3* A 17 26.204 -5.010 6.129 178 1H2* A 17 1H2* A 17 23.920 -5.534 5.741 179 2HO* A 17 2HO* A 17 23.202 -4.232 8.171 180 H1* A 17 H1* A 17 22.952 -2.981 6.237 181 H8 A 17 H8 A 17 26.052 -2.683 4.123 182 1H6 A 17 1H6 A 17 22.612 -4.013 -0.814 183 2H6 A 17 2H6 A 17 24.172 -3.442 -0.262 184 H2 A 17 H2 A 17 20.138 -4.808 2.856 185 1H5* U 18 1H5* U 18 23.855 -7.852 7.885 186 2H5* U 18 2H5* U 18 24.511 -9.484 7.639 187 H4* U 18 H4* U 18 22.342 -9.011 6.401 188 H3* U 18 H3* U 18 24.882 -9.720 4.854 189 1H2* U 18 1H2* U 18 23.594 -9.776 2.883 190 2HO* U 18 2HO* U 18 21.230 -9.562 4.470 191 H1* U 18 H1* U 18 22.021 -7.560 3.473 192 H3 U 18 H3 U 18 24.701 -6.737 -0.212 193 H5 U 18 H5 U 18 27.066 -5.796 3.153 194 H6 U 18 H6 U 18 25.338 -6.745 4.565 195 1H5* G 19 1H5* G 19 22.754 -14.246 3.795 196 2H5* G 19 2H5* G 19 24.423 -14.858 3.672 197 H4* G 19 H4* G 19 22.754 -15.055 1.635 198 H3* G 19 H3* G 19 25.584 -13.911 1.400 199 1H2* G 19 1H2* G 19 25.247 -13.898 -0.946 200 2HO* G 19 2HO* G 19 22.786 -15.296 -0.589 201 H1* G 19 H1* G 19 22.627 -12.983 -0.837 202 H8 G 19 H8 G 19 24.965 -11.157 1.566 203 H1 G 19 H1 G 19 25.304 -8.921 -4.397 204 1H2 G 19 1H2 G 19 23.316 -11.665 -5.222 205 2H2 G 19 2H2 G 19 24.160 -10.236 -5.776 206 1H5* C 20 1H5* C 20 25.623 -17.469 -1.534 207 2H5* C 20 2H5* C 20 27.290 -18.069 -1.410 208 H4* C 20 H4* C 20 26.480 -17.454 -3.766 209 H3* C 20 H3* C 20 28.957 -16.115 -2.566 210 1H2* C 20 1H2* C 20 29.323 -15.182 -4.717 211 2HO* C 20 2HO* C 20 28.239 -15.905 -6.553 212 H1* C 20 H1* C 20 26.648 -14.607 -5.229 213 1H4 C 20 1H4 C 20 29.167 -9.565 -1.710 214 2H4 C 20 2H4 C 20 29.402 -9.132 -3.388 215 H5 C 20 H5 C 20 28.301 -11.706 -1.007 216 H6 C 20 H6 C 20 27.476 -13.882 -1.762 217 1H5* C 21 1H5* C 21 30.055 -18.432 -6.281 218 2H5* C 21 2H5* C 21 31.746 -18.963 -6.189 219 H4* C 21 H4* C 21 30.974 -17.499 -8.230 220 H3* C 21 H3* C 21 33.470 -16.987 -6.544 221 1H2* C 21 1H2* C 21 34.036 -15.228 -8.010 222 2HO* C 21 2HO* C 21 33.657 -16.218 -9.992 223 H1* C 21 H1* C 21 31.449 -14.255 -8.358 224 1H4 C 21 1H4 C 21 33.919 -11.533 -2.820 225 2H4 C 21 2H4 C 21 34.240 -10.386 -4.100 226 H5 C 21 H5 C 21 32.964 -13.714 -3.208 227 H6 C 21 H6 C 21 32.113 -15.260 -4.901 228 H3T C 21 H3T C 21 33.008 -18.053 -9.168 Start of MODEL 8 1 1H5* G 1 1H5* G 1 39.436 -5.118 -7.899 2 2H5* G 1 2H5* G 1 38.163 -3.875 -7.771 3 H4* G 1 H4* G 1 37.928 -5.415 -9.758 4 H3* G 1 H3* G 1 35.813 -5.467 -7.564 5 1H2* G 1 1H2* G 1 34.574 -7.039 -8.799 6 2HO* G 1 2HO* G 1 34.967 -7.453 -10.989 7 H1* G 1 H1* G 1 36.713 -8.541 -9.724 8 H8 G 1 H8 G 1 37.342 -7.854 -6.095 9 H1 G 1 H1 G 1 32.879 -12.348 -6.885 10 1H2 G 1 1H2 G 1 32.899 -11.352 -10.231 11 2H2 G 1 2H2 G 1 32.230 -12.415 -9.012 12 H5T G 1 H5T G 1 38.656 -4.903 -5.770 13 1H5* G 2 1H5* G 2 33.549 -4.550 -11.399 14 2H5* G 2 2H5* G 2 32.170 -3.514 -10.945 15 H4* G 2 H4* G 2 31.729 -5.786 -12.161 16 H3* G 2 H3* G 2 30.391 -4.964 -9.548 17 1H2* G 2 1H2* G 2 29.126 -6.947 -9.588 18 2HO* G 2 2HO* G 2 28.469 -6.936 -11.744 19 H1* G 2 H1* G 2 31.134 -8.627 -10.518 20 H8 G 2 H8 G 2 32.560 -6.384 -7.846 21 H1 G 2 H1 G 2 29.112 -11.142 -5.361 22 1H2 G 2 1H2 G 2 28.063 -11.694 -8.644 23 2H2 G 2 2H2 G 2 27.969 -12.177 -6.964 24 1H5* C 3 1H5* C 3 26.521 -4.685 -12.433 25 2H5* C 3 2H5* C 3 25.589 -3.476 -11.527 26 H4* C 3 H4* C 3 24.569 -5.871 -11.884 27 H3* C 3 H3* C 3 24.685 -4.378 -9.225 28 1H2* C 3 1H2* C 3 23.533 -6.161 -8.207 29 2HO* C 3 2HO* C 3 22.997 -7.201 -10.815 30 H1* C 3 H1* C 3 24.798 -8.228 -9.568 31 1H4 C 3 1H4 C 3 28.567 -6.581 -4.340 32 2H4 C 3 2H4 C 3 27.638 -7.980 -3.851 33 H5 C 3 H5 C 3 28.261 -5.468 -6.457 34 H6 C 3 H6 C 3 27.013 -5.462 -8.560 35 1H5* G 4 1H5* G 4 20.284 -5.241 -10.365 36 2H5* G 4 2H5* G 4 19.220 -4.073 -9.539 37 H4* G 4 H4* G 4 18.879 -6.672 -9.224 38 H3* G 4 H3* G 4 18.991 -4.624 -6.963 39 1H2* G 4 1H2* G 4 18.578 -6.354 -5.416 40 2HO* G 4 2HO* G 4 17.955 -8.071 -7.616 41 H1* G 4 H1* G 4 20.141 -8.293 -6.628 42 H8 G 4 H8 G 4 21.991 -4.988 -6.500 43 H1 G 4 H1 G 4 22.217 -8.161 -0.967 44 1H2 G 4 1H2 G 4 20.799 -9.872 -1.016 45 2H2 G 4 2H2 G 4 19.804 -10.227 -2.411 46 1H5* U 5 1H5* U 5 14.502 -6.216 -5.488 47 2H5* U 5 2H5* U 5 14.066 -4.501 -5.340 48 H4* U 5 H4* U 5 14.002 -6.009 -3.193 49 H3* U 5 H3* U 5 15.333 -3.273 -3.406 50 1H2* U 5 1H2* U 5 15.929 -3.394 -1.134 51 2HO* U 5 2HO* U 5 14.174 -5.637 -0.897 52 H1* U 5 H1* U 5 16.567 -6.085 -1.056 53 H3 U 5 H3 U 5 20.456 -3.824 -0.234 54 H5 U 5 H5 U 5 19.988 -3.702 -4.425 55 H6 U 5 H6 U 5 17.758 -4.590 -4.137 56 1H5* A 6 1H5* A 6 12.771 -3.502 0.328 57 2H5* A 6 2H5* A 6 11.806 -2.013 0.323 58 H4* A 6 H4* A 6 12.851 -2.378 2.535 59 H3* A 6 H3* A 6 13.653 -0.034 0.824 60 1H2* A 6 1H2* A 6 15.417 0.592 2.150 61 2HO* A 6 2HO* A 6 15.491 0.063 4.407 62 H1* A 6 H1* A 6 16.093 -1.881 3.340 63 H8 A 6 H8 A 6 15.887 -1.039 -0.431 64 1H6 A 6 1H6 A 6 22.017 -0.649 -0.344 65 2H6 A 6 2H6 A 6 20.586 -0.582 -1.347 66 H2 A 6 H2 A 6 20.620 -1.425 3.863 67 1H5* A 7 1H5* A 7 12.901 4.234 3.809 68 2H5* A 7 2H5* A 7 14.064 3.501 2.680 69 H4* A 7 H4* A 7 14.225 3.393 5.731 70 H3* A 7 H3* A 7 15.701 5.022 3.617 71 1H2* A 7 1H2* A 7 17.672 4.861 4.898 72 2HO* A 7 2HO* A 7 16.772 5.343 6.935 73 H1* A 7 H1* A 7 17.352 2.226 5.702 74 H8 A 7 H8 A 7 16.560 2.965 2.014 75 1H6 A 7 1H6 A 7 22.490 1.777 0.853 76 2H6 A 7 2H6 A 7 20.931 2.129 0.141 77 H2 A 7 H2 A 7 21.927 1.772 5.307 78 1H5* G 8 1H5* G 8 16.472 8.259 6.832 79 2H5* G 8 2H5* G 8 16.633 9.663 5.744 80 H4* G 8 H4* G 8 18.711 8.744 7.098 81 H3* G 8 H3* G 8 18.753 9.307 4.089 82 1H2* G 8 1H2* G 8 21.089 8.899 4.169 83 2HO* G 8 2HO* G 8 22.229 8.755 6.101 84 H1* G 8 H1* G 8 20.917 6.688 5.825 85 H8 G 8 H8 G 8 18.159 6.537 3.242 86 H1 G 8 H1 G 8 23.826 4.893 0.824 87 1H2 G 8 1H2 G 8 25.116 6.083 3.841 88 2H2 G 8 2H2 G 8 25.442 5.365 2.280 89 1H5* G 9 1H5* G 9 22.140 12.081 5.364 90 2H5* G 9 2H5* G 9 22.078 13.365 4.133 91 H4* G 9 H4* G 9 24.228 11.864 4.413 92 H3* G 9 H3* G 9 22.846 12.378 1.741 93 1H2* G 9 1H2* G 9 24.676 11.263 0.714 94 2HO* G 9 2HO* G 9 26.558 10.740 1.848 95 H1* G 9 H1* G 9 24.813 9.199 2.562 96 H8 G 9 H8 G 9 21.168 9.831 1.900 97 H1 G 9 H1 G 9 23.879 6.618 -2.901 98 1H2 G 9 1H2 G 9 26.897 7.440 -1.342 99 2H2 G 9 2H2 G 9 26.097 6.642 -2.678 100 1H5* A 10 1H5* A 10 26.396 15.054 0.625 101 2H5* A 10 2H5* A 10 25.684 16.046 -0.657 102 H4* A 10 H4* A 10 27.434 14.185 -1.287 103 H3* A 10 H3* A 10 24.734 14.588 -2.668 104 1H2* A 10 1H2* A 10 25.350 12.896 -4.167 105 2HO* A 10 2HO* A 10 27.497 13.541 -4.577 106 H1* A 10 H1* A 10 26.497 11.199 -2.335 107 H8 A 10 H8 A 10 23.448 11.995 -0.574 108 1H6 A 10 1H6 A 10 20.062 9.154 -4.868 109 2H6 A 10 2H6 A 10 20.061 9.809 -3.245 110 H2 A 10 H2 A 10 24.187 9.819 -6.542 111 1H5* U 11 1H5* U 11 24.590 13.933 -5.464 112 2H5* U 11 2H5* U 11 26.099 13.416 -6.232 113 H4* U 11 H4* U 11 25.247 13.624 -8.366 114 H3* U 11 H3* U 11 24.564 16.202 -7.699 115 1H2* U 11 1H2* U 11 22.607 15.710 -6.488 116 2HO* U 11 2HO* U 11 21.619 15.814 -9.172 117 H1* U 11 H1* U 11 21.717 13.712 -8.579 118 H3 U 11 H3 U 11 18.150 12.564 -6.102 119 H5 U 11 H5 U 11 21.048 13.413 -3.161 120 H6 U 11 H6 U 11 22.612 13.939 -4.937 121 1H5* U 12 1H5* U 12 26.277 13.418 -10.353 122 2H5* U 12 2H5* U 12 26.621 13.444 -12.085 123 H4* U 12 H4* U 12 25.119 11.510 -10.596 124 H3* U 12 H3* U 12 26.612 11.591 -12.872 125 1H2* U 12 1H2* U 12 25.111 12.630 -14.277 126 2HO* U 12 2HO* U 12 24.113 9.964 -14.414 127 H1* U 12 H1* U 12 22.698 11.187 -13.260 128 H3 U 12 H3 U 12 20.727 13.919 -16.344 129 H5 U 12 H5 U 12 22.438 16.561 -13.538 130 H6 U 12 H6 U 12 23.512 14.654 -12.489 131 1H5* A 13 1H5* A 13 27.436 6.186 -13.291 132 2H5* A 13 2H5* A 13 25.824 5.532 -13.635 133 H4* A 13 H4* A 13 27.040 6.033 -11.069 134 H3* A 13 H3* A 13 25.202 4.255 -12.046 135 1H2* A 13 1H2* A 13 23.388 5.778 -12.268 136 2HO* A 13 2HO* A 13 22.617 4.170 -10.862 137 H1* A 13 H1* A 13 24.083 7.005 -9.601 138 H8 A 13 H8 A 13 23.080 7.912 -13.258 139 1H6 A 13 1H6 A 13 19.843 12.415 -10.555 140 2H6 A 13 2H6 A 13 20.156 11.603 -12.073 141 H2 A 13 H2 A 13 22.351 10.321 -7.452 142 1H5* C 14 1H5* C 14 28.276 3.794 -9.975 143 2H5* C 14 2H5* C 14 28.948 2.685 -8.777 144 H4* C 14 H4* C 14 29.638 5.026 -8.331 145 H3* C 14 H3* C 14 27.801 3.633 -6.341 146 1H2* C 14 1H2* C 14 27.874 5.536 -4.959 147 2HO* C 14 2HO* C 14 29.974 6.578 -6.592 148 H1* C 14 H1* C 14 27.753 7.453 -6.966 149 1H4 C 14 1H4 C 14 21.459 5.748 -6.046 150 2H4 C 14 2H4 C 14 21.831 6.727 -4.645 151 H5 C 14 H5 C 14 23.131 5.113 -7.709 152 H6 C 14 H6 C 14 25.538 5.081 -8.195 153 1H5* C 15 1H5* C 15 31.802 3.586 -3.737 154 2H5* C 15 2H5* C 15 31.725 1.939 -3.073 155 H4* C 15 H4* C 15 31.819 3.866 -1.359 156 H3* C 15 H3* C 15 29.621 1.752 -1.387 157 1H2* C 15 1H2* C 15 28.669 2.717 0.527 158 2HO* C 15 2HO* C 15 29.777 4.215 1.821 159 H1* C 15 H1* C 15 29.074 5.381 -0.161 160 1H4 C 15 1H4 C 15 23.475 3.478 -3.173 161 2H4 C 15 2H4 C 15 23.002 3.662 -1.499 162 H5 C 15 H5 C 15 25.763 3.632 -3.923 163 H6 C 15 H6 C 15 28.082 4.016 -3.234 164 1H5* U 16 1H5* U 16 31.068 1.554 2.753 165 2H5* U 16 2H5* U 16 30.979 -0.129 3.312 166 H4* U 16 H4* U 16 29.549 1.714 4.540 167 H3* U 16 H3* U 16 28.462 -0.982 3.586 168 1H2* U 16 1H2* U 16 26.419 -0.441 4.673 169 2HO* U 16 2HO* U 16 26.242 1.337 6.076 170 H1* U 16 H1* U 16 26.344 2.195 3.835 171 H3 U 16 H3 U 16 22.997 -0.331 1.831 172 H5 U 16 H5 U 16 26.399 -0.765 -0.624 173 H6 U 16 H6 U 16 27.703 0.345 1.086 174 1H5* A 17 1H5* A 17 27.586 -2.248 8.117 175 2H5* A 17 2H5* A 17 28.017 -3.941 7.797 176 H4* A 17 H4* A 17 25.562 -3.373 8.521 177 H3* A 17 H3* A 17 26.287 -5.126 6.144 178 1H2* A 17 1H2* A 17 23.966 -5.568 5.897 179 2HO* A 17 2HO* A 17 23.057 -5.877 7.809 180 H1* A 17 H1* A 17 23.106 -2.984 6.335 181 H8 A 17 H8 A 17 26.191 -2.821 4.178 182 1H6 A 17 1H6 A 17 22.692 -4.193 -0.693 183 2H6 A 17 2H6 A 17 24.274 -3.670 -0.162 184 H2 A 17 H2 A 17 20.201 -4.778 3.004 185 1H5* U 18 1H5* U 18 23.866 -7.923 8.029 186 2H5* U 18 2H5* U 18 24.512 -9.545 7.707 187 H4* U 18 H4* U 18 22.271 -8.964 6.584 188 H3* U 18 H3* U 18 24.718 -9.893 5.017 189 1H2* U 18 1H2* U 18 23.442 -9.868 3.044 190 2HO* U 18 2HO* U 18 21.580 -10.903 3.795 191 H1* U 18 H1* U 18 22.004 -7.550 3.579 192 H3 U 18 H3 U 18 24.811 -7.025 -0.091 193 H5 U 18 H5 U 18 27.104 -5.999 3.296 194 H6 U 18 H6 U 18 25.314 -6.839 4.696 195 1H5* G 19 1H5* G 19 21.700 -13.686 4.057 196 2H5* G 19 2H5* G 19 23.018 -14.846 3.744 197 H4* G 19 H4* G 19 21.194 -14.338 1.901 198 H3* G 19 H3* G 19 24.210 -14.307 1.405 199 1H2* G 19 1H2* G 19 23.759 -13.959 -0.884 200 2HO* G 19 2HO* G 19 20.988 -14.428 -0.391 201 H1* G 19 H1* G 19 21.665 -12.178 -0.528 202 H8 G 19 H8 G 19 24.593 -11.461 1.797 203 H1 G 19 H1 G 19 25.490 -9.131 -4.073 204 1H2 G 19 1H2 G 19 22.643 -10.962 -4.912 205 2H2 G 19 2H2 G 19 23.914 -9.886 -5.446 206 1H5* C 20 1H5* C 20 22.670 -17.268 -1.724 207 2H5* C 20 2H5* C 20 24.058 -18.327 -2.040 208 H4* C 20 H4* C 20 23.080 -16.887 -4.006 209 H3* C 20 H3* C 20 26.055 -17.003 -3.294 210 1H2* C 20 1H2* C 20 26.454 -15.747 -5.261 211 2HO* C 20 2HO* C 20 23.713 -16.067 -5.994 212 H1* C 20 H1* C 20 24.270 -14.045 -4.963 213 1H4 C 20 1H4 C 20 29.305 -11.601 -1.373 214 2H4 C 20 2H4 C 20 29.453 -10.866 -2.953 215 H5 C 20 H5 C 20 27.679 -13.310 -0.859 216 H6 C 20 H6 C 20 25.851 -14.673 -1.749 217 1H5* C 21 1H5* C 21 25.477 -18.423 -7.539 218 2H5* C 21 2H5* C 21 26.764 -19.574 -7.950 219 H4* C 21 H4* C 21 26.456 -17.419 -9.423 220 H3* C 21 H3* C 21 29.117 -18.409 -8.293 221 1H2* C 21 1H2* C 21 30.201 -16.677 -9.470 222 2HO* C 21 2HO* C 21 27.749 -16.133 -10.835 223 H1* C 21 H1* C 21 28.273 -14.719 -9.010 224 1H4 C 21 1H4 C 21 32.358 -14.813 -3.766 225 2H4 C 21 2H4 C 21 32.972 -13.568 -4.831 226 H5 C 21 H5 C 21 30.518 -16.264 -4.352 227 H6 C 21 H6 C 21 28.876 -16.825 -6.076 228 H3T C 21 H3T C 21 27.884 -18.447 -10.883 Start of MODEL 9 1 1H5* G 1 1H5* G 1 37.629 -6.012 -10.837 2 2H5* G 1 2H5* G 1 37.543 -7.240 -9.546 3 H4* G 1 H4* G 1 36.953 -7.638 -12.537 4 H3* G 1 H3* G 1 35.176 -7.253 -10.090 5 1H2* G 1 1H2* G 1 33.613 -8.761 -10.990 6 2HO* G 1 2HO* G 1 33.371 -8.211 -13.080 7 H1* G 1 H1* G 1 35.426 -10.581 -12.031 8 H8 G 1 H8 G 1 36.513 -9.524 -8.565 9 H1 G 1 H1 G 1 31.854 -13.884 -8.415 10 1H2 G 1 1H2 G 1 31.581 -13.266 -11.840 11 2H2 G 1 2H2 G 1 30.998 -14.157 -10.452 12 H5T G 1 H5T G 1 39.206 -8.357 -10.568 13 1H5* G 2 1H5* G 2 32.397 -6.276 -13.732 14 2H5* G 2 2H5* G 2 31.434 -4.910 -13.113 15 H4* G 2 H4* G 2 30.165 -6.933 -14.091 16 H3* G 2 H3* G 2 29.702 -5.940 -11.244 17 1H2* G 2 1H2* G 2 27.991 -7.536 -10.990 18 2HO* G 2 2HO* G 2 27.066 -8.623 -12.743 19 H1* G 2 H1* G 2 29.250 -9.610 -12.346 20 H8 G 2 H8 G 2 31.687 -7.864 -10.032 21 H1 G 2 H1 G 2 27.923 -11.974 -6.922 22 1H2 G 2 1H2 G 2 26.119 -12.110 -9.909 23 2H2 G 2 2H2 G 2 26.280 -12.664 -8.258 24 1H5* C 3 1H5* C 3 25.610 -5.135 -13.291 25 2H5* C 3 2H5* C 3 24.858 -3.841 -12.335 26 H4* C 3 H4* C 3 23.689 -6.193 -12.455 27 H3* C 3 H3* C 3 24.203 -4.625 -9.883 28 1H2* C 3 1H2* C 3 23.035 -6.306 -8.705 29 2HO* C 3 2HO* C 3 22.214 -7.426 -11.201 30 H1* C 3 H1* C 3 24.045 -8.470 -10.131 31 1H4 C 3 1H4 C 3 28.344 -6.942 -5.288 32 2H4 C 3 2H4 C 3 27.393 -8.284 -4.696 33 H5 C 3 H5 C 3 27.918 -5.851 -7.399 34 H6 C 3 H6 C 3 26.491 -5.812 -9.385 35 1H5* G 4 1H5* G 4 19.795 -5.421 -10.550 36 2H5* G 4 2H5* G 4 18.758 -4.244 -9.703 37 H4* G 4 H4* G 4 18.494 -6.838 -9.278 38 H3* G 4 H3* G 4 18.694 -4.713 -7.095 39 1H2* G 4 1H2* G 4 18.396 -6.406 -5.476 40 2HO* G 4 2HO* G 4 16.672 -7.516 -6.423 41 H1* G 4 H1* G 4 19.930 -8.350 -6.716 42 H8 G 4 H8 G 4 21.737 -5.021 -6.786 43 H1 G 4 H1 G 4 22.305 -8.016 -1.176 44 1H2 G 4 1H2 G 4 20.890 -9.729 -1.085 45 2H2 G 4 2H2 G 4 19.814 -10.129 -2.404 46 1H5* U 5 1H5* U 5 14.268 -6.405 -5.446 47 2H5* U 5 2H5* U 5 13.819 -4.701 -5.228 48 H4* U 5 H4* U 5 13.874 -6.290 -3.128 49 H3* U 5 H3* U 5 15.113 -3.507 -3.306 50 1H2* U 5 1H2* U 5 15.809 -3.680 -1.064 51 2HO* U 5 2HO* U 5 14.978 -5.216 0.359 52 H1* U 5 H1* U 5 16.533 -6.350 -1.105 53 H3 U 5 H3 U 5 20.376 -3.971 -0.386 54 H5 U 5 H5 U 5 19.724 -3.758 -4.545 55 H6 U 5 H6 U 5 17.540 -4.731 -4.188 56 1H5* A 6 1H5* A 6 12.938 -3.838 0.647 57 2H5* A 6 2H5* A 6 11.821 -2.459 0.601 58 H4* A 6 H4* A 6 12.956 -2.502 2.767 59 H3* A 6 H3* A 6 13.626 -0.307 0.816 60 1H2* A 6 1H2* A 6 15.398 0.501 2.025 61 2HO* A 6 2HO* A 6 14.226 -0.662 4.355 62 H1* A 6 H1* A 6 16.129 -1.819 3.493 63 H8 A 6 H8 A 6 16.002 -1.319 -0.348 64 1H6 A 6 1H6 A 6 22.136 -0.954 -0.151 65 2H6 A 6 2H6 A 6 20.730 -0.979 -1.191 66 H2 A 6 H2 A 6 20.636 -1.326 4.075 67 1H5* A 7 1H5* A 7 12.653 4.152 3.461 68 2H5* A 7 2H5* A 7 13.863 3.382 2.407 69 H4* A 7 H4* A 7 13.987 3.564 5.456 70 H3* A 7 H3* A 7 15.443 5.005 3.200 71 1H2* A 7 1H2* A 7 17.408 5.022 4.498 72 2HO* A 7 2HO* A 7 17.409 4.600 6.716 73 H1* A 7 H1* A 7 17.152 2.476 5.563 74 H8 A 7 H8 A 7 16.385 2.947 1.811 75 1H6 A 7 1H6 A 7 22.301 1.585 0.800 76 2H6 A 7 2H6 A 7 20.759 1.930 0.049 77 H2 A 7 H2 A 7 21.678 1.821 5.244 78 1H5* G 8 1H5* G 8 16.259 8.226 6.586 79 2H5* G 8 2H5* G 8 16.523 9.631 5.519 80 H4* G 8 H4* G 8 18.455 8.729 7.081 81 H3* G 8 H3* G 8 18.815 9.274 4.090 82 1H2* G 8 1H2* G 8 21.132 8.901 4.430 83 2HO* G 8 2HO* G 8 21.438 10.040 6.359 84 H1* G 8 H1* G 8 20.797 6.715 6.113 85 H8 G 8 H8 G 8 18.443 6.679 3.105 86 H1 G 8 H1 G 8 24.256 4.438 1.737 87 1H2 G 8 1H2 G 8 25.116 5.582 4.923 88 2H2 G 8 2H2 G 8 25.635 4.797 3.448 89 1H5* G 9 1H5* G 9 21.435 13.119 4.978 90 2H5* G 9 2H5* G 9 20.893 13.988 3.521 91 H4* G 9 H4* G 9 23.419 13.289 3.818 92 H3* G 9 H3* G 9 21.796 12.687 1.301 93 1H2* G 9 1H2* G 9 23.856 11.993 0.326 94 2HO* G 9 2HO* G 9 25.256 12.825 2.661 95 H1* G 9 H1* G 9 24.717 10.572 2.538 96 H8 G 9 H8 G 9 21.055 9.853 2.200 97 H1 G 9 H1 G 9 24.420 6.802 -2.280 98 1H2 G 9 1H2 G 9 27.069 8.827 -1.236 99 2H2 G 9 2H2 G 9 26.513 7.568 -2.317 100 1H5* A 10 1H5* A 10 24.239 15.863 -0.747 101 2H5* A 10 2H5* A 10 23.256 16.339 -2.142 102 H4* A 10 H4* A 10 25.401 14.865 -2.516 103 H3* A 10 H3* A 10 22.645 14.327 -3.718 104 1H2* A 10 1H2* A 10 23.539 12.474 -4.827 105 2HO* A 10 2HO* A 10 25.737 12.149 -5.131 106 H1* A 10 H1* A 10 25.192 11.563 -2.819 107 H8 A 10 H8 A 10 22.163 12.007 -0.920 108 1H6 A 10 1H6 A 10 19.348 7.539 -4.105 109 2H6 A 10 2H6 A 10 19.282 8.527 -2.662 110 H2 A 10 H2 A 10 23.051 8.765 -6.360 111 1H5* U 11 1H5* U 11 23.816 12.389 -6.891 112 2H5* U 11 2H5* U 11 24.120 13.744 -7.989 113 H4* U 11 H4* U 11 22.956 12.080 -9.285 114 H3* U 11 H3* U 11 21.867 14.598 -9.081 115 1H2* U 11 1H2* U 11 20.345 14.156 -7.328 116 2HO* U 11 2HO* U 11 18.290 13.979 -8.303 117 H1* U 11 H1* U 11 19.555 11.537 -8.624 118 H3 U 11 H3 U 11 17.052 10.179 -5.166 119 H5 U 11 H5 U 11 19.768 12.820 -3.316 120 H6 U 11 H6 U 11 20.825 13.148 -5.471 121 1H5* U 12 1H5* U 12 23.672 11.510 -11.307 122 2H5* U 12 2H5* U 12 23.657 11.247 -13.052 123 H4* U 12 H4* U 12 23.161 9.358 -10.969 124 H3* U 12 H3* U 12 24.076 9.342 -13.529 125 1H2* U 12 1H2* U 12 22.073 9.594 -14.640 126 2HO* U 12 2HO* U 12 21.364 7.608 -15.403 127 H1* U 12 H1* U 12 20.486 7.815 -12.841 128 H3 U 12 H3 U 12 17.167 9.159 -15.673 129 H5 U 12 H5 U 12 18.503 12.724 -13.861 130 H6 U 12 H6 U 12 20.313 11.462 -12.852 131 1H5* A 13 1H5* A 13 27.275 4.888 -12.909 132 2H5* A 13 2H5* A 13 25.570 4.405 -12.928 133 H4* A 13 H4* A 13 27.235 5.487 -10.669 134 H3* A 13 H3* A 13 26.115 3.026 -11.111 135 1H2* A 13 1H2* A 13 23.847 3.705 -11.180 136 2HO* A 13 2HO* A 13 23.968 2.185 -9.483 137 H1* A 13 H1* A 13 24.303 5.531 -8.818 138 H8 A 13 H8 A 13 22.311 4.896 -12.066 139 1H6 A 13 1H6 A 13 18.299 8.968 -9.785 140 2H6 A 13 2H6 A 13 18.544 7.730 -10.995 141 H2 A 13 H2 A 13 22.084 9.163 -7.360 142 1H5* C 14 1H5* C 14 29.401 3.388 -8.897 143 2H5* C 14 2H5* C 14 30.129 2.724 -7.426 144 H4* C 14 H4* C 14 30.239 5.256 -7.633 145 H3* C 14 H3* C 14 28.867 3.898 -5.273 146 1H2* C 14 1H2* C 14 28.479 6.012 -4.314 147 2HO* C 14 2HO* C 14 30.229 7.144 -6.270 148 H1* C 14 H1* C 14 27.851 7.361 -6.663 149 1H4 C 14 1H4 C 14 22.237 4.440 -4.750 150 2H4 C 14 2H4 C 14 22.342 5.878 -3.760 151 H5 C 14 H5 C 14 23.995 3.754 -6.287 152 H6 C 14 H6 C 14 26.292 4.209 -7.021 153 1H5* C 15 1H5* C 15 32.633 4.833 -2.164 154 2H5* C 15 2H5* C 15 32.426 3.148 -1.643 155 H4* C 15 H4* C 15 32.025 5.085 0.091 156 H3* C 15 H3* C 15 30.104 2.759 -0.394 157 1H2* C 15 1H2* C 15 28.821 3.544 1.424 158 2HO* C 15 2HO* C 15 29.586 5.087 2.877 159 H1* C 15 H1* C 15 29.033 6.246 0.792 160 1H4 C 15 1H4 C 15 24.157 3.610 -2.890 161 2H4 C 15 2H4 C 15 23.434 3.815 -1.310 162 H5 C 15 H5 C 15 26.491 4.016 -3.336 163 H6 C 15 H6 C 15 28.630 4.712 -2.374 164 1H5* U 16 1H5* U 16 30.746 2.432 3.908 165 2H5* U 16 2H5* U 16 30.842 0.706 4.309 166 H4* U 16 H4* U 16 28.987 2.186 5.443 167 H3* U 16 H3* U 16 28.420 -0.498 4.087 168 1H2* U 16 1H2* U 16 26.230 -0.338 4.988 169 2HO* U 16 2HO* U 16 26.713 0.385 7.074 170 H1* U 16 H1* U 16 25.926 2.372 4.443 171 H3 U 16 H3 U 16 23.028 -0.314 1.967 172 H5 U 16 H5 U 16 26.565 0.032 -0.309 173 H6 U 16 H6 U 16 27.628 1.066 1.607 174 1H5* A 17 1H5* A 17 27.270 -2.176 8.322 175 2H5* A 17 2H5* A 17 27.776 -3.847 7.995 176 H4* A 17 H4* A 17 25.246 -3.361 8.473 177 H3* A 17 H3* A 17 26.216 -4.994 6.094 178 1H2* A 17 1H2* A 17 23.924 -5.501 5.711 179 2HO* A 17 2HO* A 17 23.046 -5.939 7.649 180 H1* A 17 H1* A 17 22.978 -2.947 6.234 181 H8 A 17 H8 A 17 26.076 -2.633 4.124 182 1H6 A 17 1H6 A 17 22.665 -3.962 -0.827 183 2H6 A 17 2H6 A 17 24.223 -3.398 -0.266 184 H2 A 17 H2 A 17 20.168 -4.755 2.827 185 1H5* U 18 1H5* U 18 23.849 -7.943 7.820 186 2H5* U 18 2H5* U 18 24.533 -9.541 7.459 187 H4* U 18 H4* U 18 22.309 -8.970 6.306 188 H3* U 18 H3* U 18 24.807 -9.761 4.738 189 1H2* U 18 1H2* U 18 23.537 -9.706 2.759 190 2HO* U 18 2HO* U 18 21.701 -10.816 3.436 191 H1* U 18 H1* U 18 22.030 -7.454 3.382 192 H3 U 18 H3 U 18 24.786 -6.691 -0.275 193 H5 U 18 H5 U 18 27.095 -5.770 3.134 194 H6 U 18 H6 U 18 25.334 -6.705 4.515 195 1H5* G 19 1H5* G 19 21.665 -13.481 3.747 196 2H5* G 19 2H5* G 19 22.920 -14.698 3.398 197 H4* G 19 H4* G 19 21.022 -14.169 1.640 198 H3* G 19 H3* G 19 24.007 -14.261 0.988 199 1H2* G 19 1H2* G 19 23.448 -13.958 -1.283 200 2HO* G 19 2HO* G 19 20.694 -14.329 -0.623 201 H1* G 19 H1* G 19 21.435 -12.096 -0.867 202 H8 G 19 H8 G 19 24.452 -11.326 1.295 203 H1 G 19 H1 G 19 25.243 -9.426 -4.745 204 1H2 G 19 1H2 G 19 22.328 -11.242 -5.373 205 2H2 G 19 2H2 G 19 23.606 -10.237 -6.018 206 1H5* C 20 1H5* C 20 21.882 -17.331 -1.797 207 2H5* C 20 2H5* C 20 23.135 -18.525 -2.193 208 H4* C 20 H4* C 20 21.957 -17.270 -4.155 209 H3* C 20 H3* C 20 24.996 -17.456 -3.856 210 1H2* C 20 1H2* C 20 25.169 -16.422 -5.976 211 2HO* C 20 2HO* C 20 22.346 -16.699 -6.314 212 H1* C 20 H1* C 20 23.099 -14.600 -5.597 213 1H4 C 20 1H4 C 20 28.624 -12.003 -2.968 214 2H4 C 20 2H4 C 20 28.535 -11.383 -4.600 215 H5 C 20 H5 C 20 27.084 -13.640 -2.091 216 H6 C 20 H6 C 20 25.132 -15.029 -2.589 217 1H5* C 21 1H5* C 21 23.922 -19.254 -7.819 218 2H5* C 21 2H5* C 21 25.108 -20.514 -8.215 219 H4* C 21 H4* C 21 24.798 -18.486 -9.857 220 H3* C 21 H3* C 21 27.483 -19.536 -8.846 221 1H2* C 21 1H2* C 21 28.563 -17.983 -10.252 222 2HO* C 21 2HO* C 21 26.044 -17.422 -11.482 223 H1* C 21 H1* C 21 26.790 -15.876 -9.837 224 1H4 C 21 1H4 C 21 31.258 -15.750 -4.917 225 2H4 C 21 2H4 C 21 31.864 -14.662 -6.145 226 H5 C 21 H5 C 21 29.290 -17.118 -5.221 227 H6 C 21 H6 C 21 27.488 -17.730 -6.762 228 H3T C 21 H3T C 21 26.290 -20.916 -10.204 Start of MODEL 10 1 1H5* G 1 1H5* G 1 37.605 -2.984 -5.558 2 2H5* G 1 2H5* G 1 38.783 -2.296 -6.706 3 H4* G 1 H4* G 1 37.461 -3.051 -8.565 4 H3* G 1 H3* G 1 35.235 -3.344 -6.504 5 1H2* G 1 1H2* G 1 34.311 -5.103 -7.765 6 2HO* G 1 2HO* G 1 34.314 -4.442 -9.834 7 H1* G 1 H1* G 1 36.696 -6.303 -8.508 8 H8 G 1 H8 G 1 36.642 -5.276 -4.835 9 H1 G 1 H1 G 1 33.821 -10.904 -5.882 10 1H2 G 1 1H2 G 1 34.128 -10.087 -9.262 11 2H2 G 1 2H2 G 1 33.586 -11.246 -8.068 12 H5T G 1 H5T G 1 37.468 -0.703 -5.716 13 1H5* G 2 1H5* G 2 33.071 -2.690 -10.565 14 2H5* G 2 2H5* G 2 31.512 -1.939 -10.131 15 H4* G 2 H4* G 2 31.559 -4.209 -11.453 16 H3* G 2 H3* G 2 29.934 -3.709 -8.920 17 1H2* G 2 1H2* G 2 29.033 -5.875 -9.087 18 2HO* G 2 2HO* G 2 28.524 -5.900 -11.287 19 H1* G 2 H1* G 2 31.353 -7.161 -9.916 20 H8 G 2 H8 G 2 32.103 -4.753 -7.088 21 H1 G 2 H1 G 2 29.648 -10.261 -4.995 22 1H2 G 2 1H2 G 2 28.991 -10.894 -8.366 23 2H2 G 2 2H2 G 2 28.891 -11.458 -6.713 24 1H5* C 3 1H5* C 3 26.398 -3.852 -12.124 25 2H5* C 3 2H5* C 3 25.187 -2.780 -11.390 26 H4* C 3 H4* C 3 24.541 -5.277 -11.799 27 H3* C 3 H3* C 3 24.191 -3.818 -9.140 28 1H2* C 3 1H2* C 3 23.170 -5.747 -8.257 29 2HO* C 3 2HO* C 3 23.060 -6.802 -10.912 30 H1* C 3 H1* C 3 24.842 -7.610 -9.469 31 1H4 C 3 1H4 C 3 27.749 -5.496 -3.868 32 2H4 C 3 2H4 C 3 26.894 -6.959 -3.442 33 H5 C 3 H5 C 3 27.615 -4.478 -6.050 34 H6 C 3 H6 C 3 26.634 -4.643 -8.284 35 1H5* G 4 1H5* G 4 19.944 -5.259 -10.393 36 2H5* G 4 2H5* G 4 18.809 -4.161 -9.563 37 H4* G 4 H4* G 4 18.704 -6.766 -9.163 38 H3* G 4 H3* G 4 18.752 -4.682 -6.925 39 1H2* G 4 1H2* G 4 18.429 -6.457 -5.391 40 2HO* G 4 2HO* G 4 16.809 -7.606 -6.459 41 H1* G 4 H1* G 4 20.114 -8.264 -6.648 42 H8 G 4 H8 G 4 21.741 -4.846 -6.450 43 H1 G 4 H1 G 4 22.225 -8.153 -1.011 44 1H2 G 4 1H2 G 4 20.908 -9.944 -1.092 45 2H2 G 4 2H2 G 4 19.918 -10.317 -2.484 46 1H5* U 5 1H5* U 5 14.366 -6.374 -5.351 47 2H5* U 5 2H5* U 5 13.884 -4.671 -5.204 48 H4* U 5 H4* U 5 13.927 -6.166 -3.046 49 H3* U 5 H3* U 5 15.172 -3.393 -3.312 50 1H2* U 5 1H2* U 5 15.826 -3.485 -1.052 51 2HO* U 5 2HO* U 5 14.158 -5.788 -0.760 52 H1* U 5 H1* U 5 16.546 -6.157 -0.985 53 H3 U 5 H3 U 5 20.382 -3.782 -0.263 54 H5 U 5 H5 U 5 19.807 -3.676 -4.439 55 H6 U 5 H6 U 5 17.614 -4.634 -4.097 56 1H5* A 6 1H5* A 6 12.795 -3.622 0.501 57 2H5* A 6 2H5* A 6 11.777 -2.167 0.508 58 H4* A 6 H4* A 6 12.946 -2.431 2.670 59 H3* A 6 H3* A 6 13.605 -0.114 0.857 60 1H2* A 6 1H2* A 6 15.402 0.591 2.095 61 2HO* A 6 2HO* A 6 15.552 0.112 4.379 62 H1* A 6 H1* A 6 16.127 -1.837 3.380 63 H8 A 6 H8 A 6 15.951 -1.093 -0.415 64 1H6 A 6 1H6 A 6 22.076 -0.602 -0.259 65 2H6 A 6 2H6 A 6 20.658 -0.579 -1.281 66 H2 A 6 H2 A 6 20.637 -1.306 3.946 67 1H5* A 7 1H5* A 7 12.925 4.179 3.713 68 2H5* A 7 2H5* A 7 14.080 3.330 2.658 69 H4* A 7 H4* A 7 14.180 3.314 5.713 70 H3* A 7 H3* A 7 15.659 4.973 3.626 71 1H2* A 7 1H2* A 7 17.612 4.847 4.941 72 2HO* A 7 2HO* A 7 17.583 4.171 7.102 73 H1* A 7 H1* A 7 17.341 2.203 5.721 74 H8 A 7 H8 A 7 16.577 3.023 2.036 75 1H6 A 7 1H6 A 7 22.528 1.911 0.910 76 2H6 A 7 2H6 A 7 20.978 2.290 0.192 77 H2 A 7 H2 A 7 21.899 1.699 5.351 78 1H5* G 8 1H5* G 8 16.380 8.059 6.873 79 2H5* G 8 2H5* G 8 16.540 9.537 5.888 80 H4* G 8 H4* G 8 18.620 8.522 7.169 81 H3* G 8 H3* G 8 18.665 9.291 4.205 82 1H2* G 8 1H2* G 8 20.997 8.880 4.267 83 2HO* G 8 2HO* G 8 22.051 9.384 6.019 84 H1* G 8 H1* G 8 20.826 6.584 5.819 85 H8 G 8 H8 G 8 18.140 6.465 3.175 86 H1 G 8 H1 G 8 23.913 5.189 0.781 87 1H2 G 8 1H2 G 8 25.099 6.276 3.877 88 2H2 G 8 2H2 G 8 25.482 5.653 2.289 89 1H5* G 9 1H5* G 9 21.964 11.759 5.962 90 2H5* G 9 2H5* G 9 22.167 13.183 4.913 91 H4* G 9 H4* G 9 24.138 11.460 5.255 92 H3* G 9 H3* G 9 23.181 12.402 2.510 93 1H2* G 9 1H2* G 9 25.086 11.277 1.627 94 2HO* G 9 2HO* G 9 26.731 10.480 2.944 95 H1* G 9 H1* G 9 24.790 9.011 3.190 96 H8 G 9 H8 G 9 21.333 9.930 2.109 97 H1 G 9 H1 G 9 24.642 7.402 -2.728 98 1H2 G 9 1H2 G 9 27.417 7.831 -0.650 99 2H2 G 9 2H2 G 9 26.803 7.292 -2.197 100 1H5* A 10 1H5* A 10 27.005 14.742 2.345 101 2H5* A 10 2H5* A 10 26.726 16.007 1.136 102 H4* A 10 H4* A 10 28.266 13.963 0.533 103 H3* A 10 H3* A 10 26.012 15.067 -1.208 104 1H2* A 10 1H2* A 10 26.531 13.467 -2.826 105 2HO* A 10 2HO* A 10 28.954 12.919 -1.419 106 H1* A 10 H1* A 10 27.082 11.352 -1.151 107 H8 A 10 H8 A 10 23.948 12.331 0.274 108 1H6 A 10 1H6 A 10 20.936 10.883 -4.908 109 2H6 A 10 2H6 A 10 20.763 11.224 -3.200 110 H2 A 10 H2 A 10 25.329 11.179 -5.859 111 1H5* U 11 1H5* U 11 27.296 13.974 -4.661 112 2H5* U 11 2H5* U 11 28.442 15.282 -4.984 113 H4* U 11 H4* U 11 27.304 14.898 -7.056 114 H3* U 11 H3* U 11 27.150 17.407 -5.941 115 1H2* U 11 1H2* U 11 25.059 17.173 -4.872 116 2HO* U 11 2HO* U 11 24.818 18.947 -6.270 117 H1* U 11 H1* U 11 23.921 15.787 -7.312 118 H3 U 11 H3 U 11 20.047 14.821 -5.277 119 H5 U 11 H5 U 11 22.771 14.809 -2.060 120 H6 U 11 H6 U 11 24.539 15.335 -3.632 121 1H5* U 12 1H5* U 12 28.468 14.762 -8.937 122 2H5* U 12 2H5* U 12 28.962 15.074 -10.603 123 H4* U 12 H4* U 12 27.110 13.124 -9.636 124 H3* U 12 H3* U 12 28.789 13.424 -11.760 125 1H2* U 12 1H2* U 12 27.548 14.922 -12.999 126 2HO* U 12 2HO* U 12 26.567 13.859 -14.666 127 H1* U 12 H1* U 12 24.894 13.678 -12.434 128 H3 U 12 H3 U 12 23.541 17.214 -14.987 129 H5 U 12 H5 U 12 25.374 18.989 -11.628 130 H6 U 12 H6 U 12 26.101 16.780 -10.936 131 1H5* A 13 1H5* A 13 29.692 8.044 -12.418 132 2H5* A 13 2H5* A 13 28.063 8.437 -12.997 133 H4* A 13 H4* A 13 29.036 7.941 -10.195 134 H3* A 13 H3* A 13 27.368 6.516 -11.838 135 1H2* A 13 1H2* A 13 25.684 8.163 -12.105 136 2HO* A 13 2HO* A 13 23.960 7.542 -10.750 137 H1* A 13 H1* A 13 25.850 8.816 -9.158 138 H8 A 13 H8 A 13 25.126 10.143 -12.708 139 1H6 A 13 1H6 A 13 22.221 14.747 -9.833 140 2H6 A 13 2H6 A 13 22.459 13.948 -11.372 141 H2 A 13 H2 A 13 24.635 12.457 -6.807 142 1H5* C 14 1H5* C 14 29.963 5.285 -9.419 143 2H5* C 14 2H5* C 14 30.270 3.937 -8.316 144 H4* C 14 H4* C 14 31.055 6.124 -7.395 145 H3* C 14 H3* C 14 28.809 4.619 -5.990 146 1H2* C 14 1H2* C 14 28.773 6.262 -4.308 147 2HO* C 14 2HO* C 14 30.993 6.454 -3.939 148 H1* C 14 H1* C 14 29.148 8.472 -5.951 149 1H4 C 14 1H4 C 14 22.670 7.205 -6.252 150 2H4 C 14 2H4 C 14 22.875 8.000 -4.706 151 H5 C 14 H5 C 14 24.536 6.610 -7.698 152 H6 C 14 H6 C 14 26.982 6.461 -7.835 153 1H5* C 15 1H5* C 15 32.381 3.984 -3.031 154 2H5* C 15 2H5* C 15 32.252 2.297 -2.489 155 H4* C 15 H4* C 15 32.225 4.060 -0.632 156 H3* C 15 H3* C 15 29.953 2.063 -1.017 157 1H2* C 15 1H2* C 15 28.884 2.925 0.886 158 2HO* C 15 2HO* C 15 31.309 4.316 1.483 159 H1* C 15 H1* C 15 29.465 5.611 0.451 160 1H4 C 15 1H4 C 15 24.042 4.268 -3.128 161 2H4 C 15 2H4 C 15 23.445 4.358 -1.485 162 H5 C 15 H5 C 15 26.392 4.337 -3.686 163 H6 C 15 H6 C 15 28.664 4.526 -2.790 164 1H5* U 16 1H5* U 16 31.095 1.604 3.139 165 2H5* U 16 2H5* U 16 31.003 -0.097 3.640 166 H4* U 16 H4* U 16 29.520 1.697 4.880 167 H3* U 16 H3* U 16 28.490 -0.976 3.805 168 1H2* U 16 1H2* U 16 26.408 -0.494 4.832 169 2HO* U 16 2HO* U 16 27.088 0.295 6.821 170 H1* U 16 H1* U 16 26.348 2.186 4.115 171 H3 U 16 H3 U 16 23.040 -0.261 1.944 172 H5 U 16 H5 U 16 26.486 -0.563 -0.470 173 H6 U 16 H6 U 16 27.756 0.470 1.313 174 1H5* A 17 1H5* A 17 27.484 -2.365 8.233 175 2H5* A 17 2H5* A 17 27.933 -4.052 7.901 176 H4* A 17 H4* A 17 25.448 -3.503 8.528 177 H3* A 17 H3* A 17 26.279 -5.207 6.148 178 1H2* A 17 1H2* A 17 23.978 -5.647 5.795 179 2HO* A 17 2HO* A 17 22.400 -5.174 7.340 180 H1* A 17 H1* A 17 23.074 -3.083 6.328 181 H8 A 17 H8 A 17 26.154 -2.833 4.175 182 1H6 A 17 1H6 A 17 22.636 -4.025 -0.735 183 2H6 A 17 2H6 A 17 24.217 -3.506 -0.190 184 H2 A 17 H2 A 17 20.173 -4.785 2.948 185 1H5* U 18 1H5* U 18 23.799 -7.970 7.957 186 2H5* U 18 2H5* U 18 24.412 -9.615 7.691 187 H4* U 18 H4* U 18 22.226 -9.071 6.502 188 H3* U 18 H3* U 18 24.713 -9.917 4.950 189 1H2* U 18 1H2* U 18 23.458 -9.884 2.964 190 2HO* U 18 2HO* U 18 21.091 -9.615 4.540 191 H1* U 18 H1* U 18 21.963 -7.610 3.530 192 H3 U 18 H3 U 18 24.730 -6.866 -0.106 193 H5 U 18 H5 U 18 27.069 -6.027 3.300 194 H6 U 18 H6 U 18 25.295 -6.936 4.675 195 1H5* G 19 1H5* G 19 21.948 -13.956 3.826 196 2H5* G 19 2H5* G 19 23.420 -14.933 3.584 197 H4* G 19 H4* G 19 21.652 -14.639 1.641 198 H3* G 19 H3* G 19 24.662 -14.211 1.313 199 1H2* G 19 1H2* G 19 24.286 -13.922 -1.002 200 2HO* G 19 2HO* G 19 22.861 -15.606 -1.418 201 H1* G 19 H1* G 19 21.971 -12.417 -0.747 202 H8 G 19 H8 G 19 24.703 -11.406 1.715 203 H1 G 19 H1 G 19 25.518 -8.835 -4.063 204 1H2 G 19 1H2 G 19 22.920 -10.947 -5.043 205 2H2 G 19 2H2 G 19 24.078 -9.719 -5.507 206 1H5* C 20 1H5* C 20 23.970 -17.472 -1.928 207 2H5* C 20 2H5* C 20 25.562 -18.255 -1.943 208 H4* C 20 H4* C 20 24.683 -17.100 -4.133 209 H3* C 20 H3* C 20 27.468 -16.618 -2.957 210 1H2* C 20 1H2* C 20 27.949 -15.413 -4.942 211 2HO* C 20 2HO* C 20 25.459 -16.264 -6.046 212 H1* C 20 H1* C 20 25.477 -14.142 -5.099 213 1H4 C 20 1H4 C 20 29.350 -10.613 -1.006 214 2H4 C 20 2H4 C 20 29.660 -9.973 -2.603 215 H5 C 20 H5 C 20 27.954 -12.540 -0.604 216 H6 C 20 H6 C 20 26.557 -14.258 -1.645 217 1H5* C 21 1H5* C 21 27.879 -18.335 -7.113 218 2H5* C 21 2H5* C 21 29.411 -19.223 -7.229 219 H4* C 21 H4* C 21 28.948 -17.246 -8.896 220 H3* C 21 H3* C 21 31.525 -17.625 -7.297 221 1H2* C 21 1H2* C 21 32.435 -15.770 -8.436 222 2HO* C 21 2HO* C 21 30.181 -15.801 -10.195 223 H1* C 21 H1* C 21 30.118 -14.224 -8.434 224 1H4 C 21 1H4 C 21 33.225 -13.203 -2.649 225 2H4 C 21 2H4 C 21 33.763 -11.926 -3.715 226 H5 C 21 H5 C 21 31.813 -15.024 -3.375 227 H6 C 21 H6 C 21 30.616 -16.002 -5.273 228 H3T C 21 H3T C 21 32.197 -18.438 -9.314 Start of MODEL 11 1 1H5* G 1 1H5* G 1 37.691 -9.406 -7.261 2 2H5* G 1 2H5* G 1 38.717 -9.349 -8.717 3 H4* G 1 H4* G 1 36.817 -9.859 -10.108 4 H3* G 1 H3* G 1 35.176 -9.093 -7.657 5 1H2* G 1 1H2* G 1 33.498 -10.603 -8.318 6 2HO* G 1 2HO* G 1 33.371 -11.459 -10.395 7 H1* G 1 H1* G 1 35.164 -12.626 -9.217 8 H8 G 1 H8 G 1 36.344 -11.152 -5.910 9 H1 G 1 H1 G 1 31.730 -15.500 -5.169 10 1H2 G 1 1H2 G 1 31.426 -15.322 -8.642 11 2H2 G 1 2H2 G 1 30.864 -16.038 -7.147 12 H5T G 1 H5T G 1 36.870 -7.449 -7.742 13 1H5* G 2 1H5* G 2 32.501 -8.577 -11.353 14 2H5* G 2 2H5* G 2 31.348 -7.272 -10.968 15 H4* G 2 H4* G 2 30.446 -9.620 -11.680 16 H3* G 2 H3* G 2 29.576 -8.152 -9.152 17 1H2* G 2 1H2* G 2 28.049 -9.884 -8.692 18 2HO* G 2 2HO* G 2 28.523 -10.877 -11.333 19 H1* G 2 H1* G 2 29.667 -12.000 -9.486 20 H8 G 2 H8 G 2 31.631 -9.513 -7.407 21 H1 G 2 H1 G 2 28.093 -13.422 -3.810 22 1H2 G 2 1H2 G 2 26.642 -14.393 -6.835 23 2H2 G 2 2H2 G 2 26.695 -14.584 -5.096 24 1H5* C 3 1H5* C 3 25.741 -8.395 -11.724 25 2H5* C 3 2H5* C 3 24.700 -7.043 -11.232 26 H4* C 3 H4* C 3 23.839 -9.510 -10.911 27 H3* C 3 H3* C 3 23.748 -7.330 -8.772 28 1H2* C 3 1H2* C 3 22.580 -8.835 -7.380 29 2HO* C 3 2HO* C 3 21.075 -9.791 -8.621 30 H1* C 3 H1* C 3 24.058 -11.096 -8.041 31 1H4 C 3 1H4 C 3 27.312 -7.775 -3.281 32 2H4 C 3 2H4 C 3 26.313 -8.943 -2.448 33 H5 C 3 H5 C 3 27.227 -7.429 -5.668 34 H6 C 3 H6 C 3 26.169 -8.129 -7.760 35 1H5* G 4 1H5* G 4 19.325 -8.551 -9.419 36 2H5* G 4 2H5* G 4 18.369 -7.135 -8.907 37 H4* G 4 H4* G 4 18.036 -9.482 -7.749 38 H3* G 4 H3* G 4 18.455 -6.862 -6.226 39 1H2* G 4 1H2* G 4 18.059 -8.073 -4.232 40 2HO* G 4 2HO* G 4 17.265 -10.327 -5.794 41 H1* G 4 H1* G 4 19.459 -10.348 -4.969 42 H8 G 4 H8 G 4 21.449 -7.238 -5.825 43 H1 G 4 H1 G 4 21.922 -8.865 0.329 44 1H2 G 4 1H2 G 4 20.428 -10.441 0.815 45 2H2 G 4 2H2 G 4 19.323 -11.084 -0.379 46 1H5* U 5 1H5* U 5 14.016 -7.632 -4.083 47 2H5* U 5 2H5* U 5 13.692 -5.915 -4.394 48 H4* U 5 H4* U 5 13.724 -6.781 -1.908 49 H3* U 5 H3* U 5 15.140 -4.294 -2.962 50 1H2* U 5 1H2* U 5 15.909 -3.812 -0.792 51 2HO* U 5 2HO* U 5 14.113 -5.809 0.189 52 H1* U 5 H1* U 5 16.447 -6.411 -0.007 53 H3 U 5 H3 U 5 20.449 -4.182 -0.114 54 H5 U 5 H5 U 5 19.713 -5.334 -4.105 55 H6 U 5 H6 U 5 17.476 -5.969 -3.441 56 1H5* A 6 1H5* A 6 12.570 -3.648 0.643 57 2H5* A 6 2H5* A 6 11.690 -2.111 0.528 58 H4* A 6 H4* A 6 12.799 -2.415 2.749 59 H3* A 6 H3* A 6 13.489 -0.157 0.890 60 1H2* A 6 1H2* A 6 15.346 0.524 2.035 61 2HO* A 6 2HO* A 6 15.541 0.197 4.327 62 H1* A 6 H1* A 6 16.033 -1.855 3.428 63 H8 A 6 H8 A 6 15.802 -1.328 -0.390 64 1H6 A 6 1H6 A 6 21.936 -0.938 -0.379 65 2H6 A 6 2H6 A 6 20.500 -0.959 -1.375 66 H2 A 6 H2 A 6 20.563 -1.333 3.888 67 1H5* A 7 1H5* A 7 12.789 4.209 3.807 68 2H5* A 7 2H5* A 7 13.911 3.491 2.627 69 H4* A 7 H4* A 7 14.243 3.480 5.667 70 H3* A 7 H3* A 7 15.575 5.032 3.406 71 1H2* A 7 1H2* A 7 17.624 4.933 4.564 72 2HO* A 7 2HO* A 7 17.768 4.389 6.747 73 H1* A 7 H1* A 7 17.384 2.332 5.494 74 H8 A 7 H8 A 7 16.357 2.947 1.838 75 1H6 A 7 1H6 A 7 22.200 1.701 0.344 76 2H6 A 7 2H6 A 7 20.603 2.046 -0.279 77 H2 A 7 H2 A 7 21.908 1.797 4.826 78 1H5* G 8 1H5* G 8 16.456 8.144 6.888 79 2H5* G 8 2H5* G 8 16.722 9.596 5.887 80 H4* G 8 H4* G 8 18.672 8.582 7.359 81 H3* G 8 H3* G 8 18.954 9.301 4.399 82 1H2* G 8 1H2* G 8 21.268 8.836 4.610 83 2HO* G 8 2HO* G 8 20.928 8.505 7.423 84 H1* G 8 H1* G 8 20.953 6.541 6.122 85 H8 G 8 H8 G 8 18.373 6.777 3.325 86 H1 G 8 H1 G 8 24.015 4.622 1.280 87 1H2 G 8 1H2 G 8 25.160 5.483 4.461 88 2H2 G 8 2H2 G 8 25.540 4.822 2.887 89 1H5* G 9 1H5* G 9 22.138 12.193 5.865 90 2H5* G 9 2H5* G 9 22.069 13.470 4.627 91 H4* G 9 H4* G 9 24.244 12.012 4.949 92 H3* G 9 H3* G 9 22.896 12.483 2.250 93 1H2* G 9 1H2* G 9 24.787 11.414 1.270 94 2HO* G 9 2HO* G 9 26.019 11.237 3.831 95 H1* G 9 H1* G 9 24.877 9.336 3.081 96 H8 G 9 H8 G 9 21.238 9.925 2.438 97 H1 G 9 H1 G 9 23.998 7.008 -2.518 98 1H2 G 9 1H2 G 9 27.004 7.847 -0.946 99 2H2 G 9 2H2 G 9 26.215 7.089 -2.313 100 1H5* A 10 1H5* A 10 26.460 15.109 1.412 101 2H5* A 10 2H5* A 10 25.964 16.176 0.086 102 H4* A 10 H4* A 10 27.652 14.220 -0.397 103 H3* A 10 H3* A 10 25.173 14.877 -2.057 104 1H2* A 10 1H2* A 10 25.745 13.139 -3.508 105 2HO* A 10 2HO* A 10 27.924 13.530 -3.825 106 H1* A 10 H1* A 10 26.623 11.319 -1.644 107 H8 A 10 H8 A 10 23.554 12.041 -0.053 108 1H6 A 10 1H6 A 10 20.270 9.966 -4.840 109 2H6 A 10 2H6 A 10 20.217 10.380 -3.141 110 H2 A 10 H2 A 10 24.486 10.716 -6.238 111 1H5* U 11 1H5* U 11 25.849 13.454 -5.416 112 2H5* U 11 2H5* U 11 27.045 14.635 -5.956 113 H4* U 11 H4* U 11 25.757 14.232 -7.903 114 H3* U 11 H3* U 11 25.637 16.781 -6.862 115 1H2* U 11 1H2* U 11 23.626 16.631 -5.697 116 2HO* U 11 2HO* U 11 22.768 17.183 -8.375 117 H1* U 11 H1* U 11 22.314 15.033 -7.906 118 H3 U 11 H3 U 11 18.678 14.401 -5.362 119 H5 U 11 H5 U 11 21.803 14.127 -2.546 120 H6 U 11 H6 U 11 23.376 14.573 -4.336 121 1H5* U 12 1H5* U 12 27.140 14.127 -11.727 122 2H5* U 12 2H5* U 12 25.707 15.162 -11.732 123 H4* U 12 H4* U 12 25.657 12.524 -10.248 124 H3* U 12 H3* U 12 26.273 12.597 -12.888 125 1H2* U 12 1H2* U 12 24.503 13.820 -13.714 126 2HO* U 12 2HO* U 12 24.131 12.003 -14.872 127 H1* U 12 H1* U 12 22.454 12.545 -11.963 128 H3 U 12 H3 U 12 19.790 15.568 -14.082 129 H5 U 12 H5 U 12 22.646 17.933 -12.075 130 H6 U 12 H6 U 12 23.828 15.898 -11.493 131 1H5* A 13 1H5* A 13 27.432 7.173 -12.957 132 2H5* A 13 2H5* A 13 25.706 7.415 -13.281 133 H4* A 13 H4* A 13 27.170 7.294 -10.653 134 H3* A 13 H3* A 13 25.381 5.590 -11.842 135 1H2* A 13 1H2* A 13 23.541 7.070 -11.958 136 2HO* A 13 2HO* A 13 22.132 6.484 -10.268 137 H1* A 13 H1* A 13 24.147 8.054 -9.163 138 H8 A 13 H8 A 13 22.739 8.950 -12.647 139 1H6 A 13 1H6 A 13 19.844 13.523 -9.703 140 2H6 A 13 2H6 A 13 19.916 12.603 -11.190 141 H2 A 13 H2 A 13 22.945 11.770 -6.954 142 1H5* C 14 1H5* C 14 28.428 4.848 -9.818 143 2H5* C 14 2H5* C 14 29.065 3.628 -8.706 144 H4* C 14 H4* C 14 29.755 5.936 -8.063 145 H3* C 14 H3* C 14 27.923 4.355 -6.213 146 1H2* C 14 1H2* C 14 27.984 6.120 -4.658 147 2HO* C 14 2HO* C 14 30.201 6.546 -4.668 148 H1* C 14 H1* C 14 27.863 8.214 -6.481 149 1H4 C 14 1H4 C 14 21.577 6.362 -5.696 150 2H4 C 14 2H4 C 14 21.930 7.271 -4.244 151 H5 C 14 H5 C 14 23.256 5.827 -7.370 152 H6 C 14 H6 C 14 25.657 5.890 -7.878 153 1H5* C 15 1H5* C 15 31.806 4.193 -3.612 154 2H5* C 15 2H5* C 15 31.799 2.525 -3.001 155 H4* C 15 H4* C 15 31.746 4.400 -1.231 156 H3* C 15 H3* C 15 29.658 2.181 -1.375 157 1H2* C 15 1H2* C 15 28.630 3.035 0.556 158 2HO* C 15 2HO* C 15 29.641 4.538 1.915 159 H1* C 15 H1* C 15 28.916 5.737 -0.048 160 1H4 C 15 1H4 C 15 23.463 3.623 -3.193 161 2H4 C 15 2H4 C 15 22.954 3.771 -1.526 162 H5 C 15 H5 C 15 25.754 3.893 -3.902 163 H6 C 15 H6 C 15 28.040 4.372 -3.171 164 1H5* U 16 1H5* U 16 30.907 2.046 2.689 165 2H5* U 16 2H5* U 16 30.986 0.379 3.296 166 H4* U 16 H4* U 16 29.321 2.086 4.422 167 H3* U 16 H3* U 16 28.550 -0.732 3.510 168 1H2* U 16 1H2* U 16 26.450 -0.379 4.557 169 2HO* U 16 2HO* U 16 26.075 1.340 5.964 170 H1* U 16 H1* U 16 26.156 2.246 3.698 171 H3 U 16 H3 U 16 22.952 -0.497 1.774 172 H5 U 16 H5 U 16 26.365 -0.827 -0.685 173 H6 U 16 H6 U 16 27.615 0.408 0.982 174 1H5* A 17 1H5* A 17 27.446 -1.259 7.823 175 2H5* A 17 2H5* A 17 27.969 -2.925 8.145 176 H4* A 17 H4* A 17 25.485 -2.488 8.486 177 H3* A 17 H3* A 17 26.417 -4.572 6.476 178 1H2* A 17 1H2* A 17 24.139 -5.167 6.209 179 2HO* A 17 2HO* A 17 22.535 -4.511 7.640 180 H1* A 17 H1* A 17 23.124 -2.590 6.252 181 H8 A 17 H8 A 17 26.249 -2.772 4.106 182 1H6 A 17 1H6 A 17 22.696 -4.716 -0.535 183 2H6 A 17 2H6 A 17 24.295 -4.168 -0.081 184 H2 A 17 H2 A 17 20.197 -4.690 3.205 185 1H5* U 18 1H5* U 18 24.046 -6.925 8.957 186 2H5* U 18 2H5* U 18 24.665 -8.585 9.070 187 H4* U 18 H4* U 18 22.428 -8.373 7.890 188 H3* U 18 H3* U 18 24.866 -9.503 6.444 189 1H2* U 18 1H2* U 18 23.526 -9.939 4.564 190 2HO* U 18 2HO* U 18 21.751 -10.874 5.635 191 H1* U 18 H1* U 18 21.985 -7.629 4.681 192 H3 U 18 H3 U 18 24.529 -7.608 0.824 193 H5 U 18 H5 U 18 27.042 -6.072 3.841 194 H6 U 18 H6 U 18 25.366 -6.690 5.477 195 1H5* G 19 1H5* G 19 21.789 -13.319 6.648 196 2H5* G 19 2H5* G 19 22.975 -14.637 6.442 197 H4* G 19 H4* G 19 20.936 -14.376 4.782 198 H3* G 19 H3* G 19 23.846 -14.754 3.947 199 1H2* G 19 1H2* G 19 23.165 -14.814 1.697 200 2HO* G 19 2HO* G 19 20.462 -15.001 2.607 201 H1* G 19 H1* G 19 21.254 -12.813 1.860 202 H8 G 19 H8 G 19 24.445 -11.906 3.720 203 H1 G 19 H1 G 19 24.920 -10.924 -2.563 204 1H2 G 19 1H2 G 19 21.873 -12.611 -2.756 205 2H2 G 19 2H2 G 19 23.161 -11.792 -3.610 206 1H5* C 20 1H5* C 20 21.748 -18.112 1.723 207 2H5* C 20 2H5* C 20 22.969 -19.396 1.600 208 H4* C 20 H4* C 20 22.007 -18.414 -0.609 209 H3* C 20 H3* C 20 25.015 -18.571 -0.053 210 1H2* C 20 1H2* C 20 25.325 -17.914 -2.312 211 2HO* C 20 2HO* C 20 23.635 -17.910 -3.814 212 H1* C 20 H1* C 20 23.279 -16.026 -2.336 213 1H4 C 20 1H4 C 20 28.713 -13.110 0.147 214 2H4 C 20 2H4 C 20 28.782 -12.837 -1.578 215 H5 C 20 H5 C 20 27.037 -14.492 1.198 216 H6 C 20 H6 C 20 25.072 -15.902 0.821 217 1H5* C 21 1H5* C 21 24.024 -21.038 -3.705 218 2H5* C 21 2H5* C 21 25.225 -22.334 -3.883 219 H4* C 21 H4* C 21 24.891 -20.621 -5.847 220 H3* C 21 H3* C 21 27.590 -21.447 -4.676 221 1H2* C 21 1H2* C 21 28.646 -20.145 -6.337 222 2HO* C 21 2HO* C 21 27.534 -19.365 -8.155 223 H1* C 21 H1* C 21 26.845 -18.022 -6.280 224 1H4 C 21 1H4 C 21 31.338 -17.019 -1.482 225 2H4 C 21 2H4 C 21 31.908 -16.120 -2.871 226 H5 C 21 H5 C 21 29.402 -18.458 -1.545 227 H6 C 21 H6 C 21 27.602 -19.343 -2.946 228 H3T C 21 H3T C 21 26.385 -23.047 -5.776 Start of MODEL 12 1 1H5* G 1 1H5* G 1 36.712 -6.574 -8.552 2 2H5* G 1 2H5* G 1 36.885 -7.251 -6.911 3 H4* G 1 H4* G 1 36.740 -8.813 -9.554 4 H3* G 1 H3* G 1 34.687 -8.189 -7.388 5 1H2* G 1 1H2* G 1 33.746 -10.324 -7.670 6 2HO* G 1 2HO* G 1 35.315 -10.594 -10.045 7 H1* G 1 H1* G 1 36.118 -11.721 -8.014 8 H8 G 1 H8 G 1 36.331 -9.190 -5.176 9 H1 G 1 H1 G 1 33.565 -14.664 -3.403 10 1H2 G 1 1H2 G 1 33.581 -15.418 -6.812 11 2H2 G 1 2H2 G 1 33.164 -15.928 -5.192 12 H5T G 1 H5T G 1 38.901 -8.032 -7.488 13 1H5* G 2 1H5* G 2 32.352 -9.550 -11.138 14 2H5* G 2 2H5* G 2 30.888 -8.531 -11.161 15 H4* G 2 H4* G 2 30.562 -11.077 -11.334 16 H3* G 2 H3* G 2 29.291 -9.450 -9.086 17 1H2* G 2 1H2* G 2 28.193 -11.395 -8.341 18 2HO* G 2 2HO* G 2 28.007 -13.251 -9.603 19 H1* G 2 H1* G 2 30.303 -13.154 -8.764 20 H8 G 2 H8 G 2 31.492 -9.928 -7.153 21 H1 G 2 H1 G 2 28.951 -13.976 -2.923 22 1H2 G 2 1H2 G 2 27.925 -15.782 -5.732 23 2H2 G 2 2H2 G 2 27.960 -15.664 -3.988 24 1H5* C 3 1H5* C 3 25.186 -10.158 -11.586 25 2H5* C 3 2H5* C 3 24.373 -8.657 -11.092 26 H4* C 3 H4* C 3 23.283 -10.966 -10.473 27 H3* C 3 H3* C 3 23.711 -8.664 -8.508 28 1H2* C 3 1H2* C 3 22.545 -9.934 -6.891 29 2HO* C 3 2HO* C 3 20.808 -10.675 -8.084 30 H1* C 3 H1* C 3 23.654 -12.396 -7.562 31 1H4 C 3 1H4 C 3 27.819 -9.314 -3.388 32 2H4 C 3 2H4 C 3 26.833 -10.365 -2.398 33 H5 C 3 H5 C 3 27.458 -9.010 -5.756 34 H6 C 3 H6 C 3 26.077 -9.645 -7.674 35 1H5* G 4 1H5* G 4 19.179 -9.378 -8.959 36 2H5* G 4 2H5* G 4 18.306 -7.882 -8.534 37 H4* G 4 H4* G 4 17.815 -10.146 -7.265 38 H3* G 4 H3* G 4 18.343 -7.459 -5.911 39 1H2* G 4 1H2* G 4 17.942 -8.488 -3.824 40 2HO* G 4 2HO* G 4 16.077 -9.651 -4.327 41 H1* G 4 H1* G 4 19.219 -10.883 -4.378 42 H8 G 4 H8 G 4 21.310 -7.941 -5.547 43 H1 G 4 H1 G 4 21.860 -9.037 0.717 44 1H2 G 4 1H2 G 4 20.327 -10.511 1.368 45 2H2 G 4 2H2 G 4 19.177 -11.216 0.257 46 1H5* U 5 1H5* U 5 13.924 -7.951 -3.645 47 2H5* U 5 2H5* U 5 13.635 -6.257 -4.089 48 H4* U 5 H4* U 5 13.679 -6.922 -1.544 49 H3* U 5 H3* U 5 15.142 -4.562 -2.804 50 1H2* U 5 1H2* U 5 15.946 -3.930 -0.688 51 2HO* U 5 2HO* U 5 15.085 -4.772 1.243 52 H1* U 5 H1* U 5 16.431 -6.471 0.296 53 H3 U 5 H3 U 5 20.477 -4.340 -0.037 54 H5 U 5 H5 U 5 19.683 -5.839 -3.899 55 H6 U 5 H6 U 5 17.437 -6.356 -3.165 56 1H5* A 6 1H5* A 6 12.503 -3.628 0.703 57 2H5* A 6 2H5* A 6 11.694 -2.057 0.533 58 H4* A 6 H4* A 6 12.777 -2.404 2.785 59 H3* A 6 H3* A 6 13.408 -0.136 0.937 60 1H2* A 6 1H2* A 6 15.334 0.522 1.959 61 2HO* A 6 2HO* A 6 15.610 0.254 4.270 62 H1* A 6 H1* A 6 16.017 -1.813 3.451 63 H8 A 6 H8 A 6 15.798 -1.419 -0.383 64 1H6 A 6 1H6 A 6 21.930 -1.038 -0.374 65 2H6 A 6 2H6 A 6 20.495 -1.094 -1.370 66 H2 A 6 H2 A 6 20.550 -1.268 3.903 67 1H5* A 7 1H5* A 7 12.769 4.186 3.976 68 2H5* A 7 2H5* A 7 13.852 3.523 2.730 69 H4* A 7 H4* A 7 14.317 3.462 5.751 70 H3* A 7 H3* A 7 15.537 5.046 3.450 71 1H2* A 7 1H2* A 7 17.639 4.942 4.509 72 2HO* A 7 2HO* A 7 17.059 5.476 6.610 73 H1* A 7 H1* A 7 17.457 2.332 5.424 74 H8 A 7 H8 A 7 16.260 2.996 1.826 75 1H6 A 7 1H6 A 7 22.023 1.753 0.046 76 2H6 A 7 2H6 A 7 20.401 2.119 -0.498 77 H2 A 7 H2 A 7 21.931 1.769 4.539 78 1H5* G 8 1H5* G 8 16.603 7.806 7.137 79 2H5* G 8 2H5* G 8 16.901 9.368 6.328 80 H4* G 8 H4* G 8 18.829 8.135 7.653 81 H3* G 8 H3* G 8 19.090 9.259 4.825 82 1H2* G 8 1H2* G 8 21.367 8.653 4.841 83 2HO* G 8 2HO* G 8 22.475 8.117 6.723 84 H1* G 8 H1* G 8 21.055 6.216 6.127 85 H8 G 8 H8 G 8 18.433 6.860 3.425 86 H1 G 8 H1 G 8 23.915 4.604 1.074 87 1H2 G 8 1H2 G 8 25.149 5.092 4.302 88 2H2 G 8 2H2 G 8 25.470 4.565 2.665 89 1H5* G 9 1H5* G 9 22.555 11.323 6.766 90 2H5* G 9 2H5* G 9 22.739 12.843 5.853 91 H4* G 9 H4* G 9 24.650 11.018 5.845 92 H3* G 9 H3* G 9 23.519 12.290 3.307 93 1H2* G 9 1H2* G 9 25.260 11.182 2.135 94 2HO* G 9 2HO* G 9 26.389 10.337 4.609 95 H1* G 9 H1* G 9 25.044 8.788 3.525 96 H8 G 9 H8 G 9 21.551 9.907 2.768 97 H1 G 9 H1 G 9 24.430 7.647 -2.464 98 1H2 G 9 1H2 G 9 27.347 7.803 -0.546 99 2H2 G 9 2H2 G 9 26.612 7.406 -2.083 100 1H5* A 10 1H5* A 10 27.402 14.508 2.903 101 2H5* A 10 2H5* A 10 27.008 15.883 1.855 102 H4* A 10 H4* A 10 28.375 13.860 0.876 103 H3* A 10 H3* A 10 25.956 15.178 -0.443 104 1H2* A 10 1H2* A 10 26.184 13.708 -2.248 105 2HO* A 10 2HO* A 10 28.053 12.537 -2.665 106 H1* A 10 H1* A 10 26.868 11.439 -0.838 107 H8 A 10 H8 A 10 23.989 12.537 1.067 108 1H6 A 10 1H6 A 10 20.262 11.273 -3.678 109 2H6 A 10 2H6 A 10 20.330 11.607 -1.962 110 H2 A 10 H2 A 10 24.504 11.367 -5.184 111 1H5* U 11 1H5* U 11 27.136 14.342 -4.163 112 2H5* U 11 2H5* U 11 28.142 15.758 -4.493 113 H4* U 11 H4* U 11 26.833 15.371 -6.486 114 H3* U 11 H3* U 11 26.683 17.820 -5.249 115 1H2* U 11 1H2* U 11 24.718 17.427 -3.990 116 2HO* U 11 2HO* U 11 24.283 19.264 -5.263 117 H1* U 11 H1* U 11 23.403 16.125 -6.378 118 H3 U 11 H3 U 11 19.779 14.872 -4.060 119 H5 U 11 H5 U 11 22.732 15.069 -1.058 120 H6 U 11 H6 U 11 24.344 15.664 -2.765 121 1H5* U 12 1H5* U 12 28.284 16.194 -8.606 122 2H5* U 12 2H5* U 12 28.421 16.567 -10.331 123 H4* U 12 H4* U 12 26.956 14.454 -9.059 124 H3* U 12 H3* U 12 28.155 14.923 -11.447 125 1H2* U 12 1H2* U 12 26.578 16.270 -12.444 126 2HO* U 12 2HO* U 12 25.332 15.036 -13.855 127 H1* U 12 H1* U 12 24.234 14.744 -11.373 128 H3 U 12 H3 U 12 21.980 18.025 -13.592 129 H5 U 12 H5 U 12 24.257 20.095 -10.708 130 H6 U 12 H6 U 12 25.359 18.002 -10.169 131 1H5* A 13 1H5* A 13 28.704 9.678 -12.916 132 2H5* A 13 2H5* A 13 27.042 9.212 -13.317 133 H4* A 13 H4* A 13 28.393 9.011 -10.782 134 H3* A 13 H3* A 13 26.395 7.651 -12.065 135 1H2* A 13 1H2* A 13 24.698 9.272 -11.804 136 2HO* A 13 2HO* A 13 23.798 7.487 -10.799 137 H1* A 13 H1* A 13 25.570 9.789 -8.957 138 H8 A 13 H8 A 13 24.415 11.522 -12.249 139 1H6 A 13 1H6 A 13 21.691 15.541 -8.462 140 2H6 A 13 2H6 A 13 21.822 15.017 -10.126 141 H2 A 13 H2 A 13 24.322 12.802 -6.047 142 1H5* C 14 1H5* C 14 29.143 5.736 -9.802 143 2H5* C 14 2H5* C 14 29.233 4.321 -8.745 144 H4* C 14 H4* C 14 30.377 6.423 -7.857 145 H3* C 14 H3* C 14 28.182 4.969 -6.324 146 1H2* C 14 1H2* C 14 28.427 6.483 -4.541 147 2HO* C 14 2HO* C 14 30.219 7.857 -4.347 148 H1* C 14 H1* C 14 28.781 8.778 -6.061 149 1H4 C 14 1H4 C 14 22.237 7.981 -5.860 150 2H4 C 14 2H4 C 14 22.632 8.485 -4.233 151 H5 C 14 H5 C 14 23.926 7.523 -7.558 152 H6 C 14 H6 C 14 26.335 7.237 -7.946 153 1H5* C 15 1H5* C 15 31.811 4.152 -3.747 154 2H5* C 15 2H5* C 15 31.754 2.472 -3.179 155 H4* C 15 H4* C 15 31.777 4.277 -1.352 156 H3* C 15 H3* C 15 29.575 2.178 -1.568 157 1H2* C 15 1H2* C 15 28.581 3.032 0.381 158 2HO* C 15 2HO* C 15 29.655 4.371 1.821 159 H1* C 15 H1* C 15 29.019 5.732 -0.133 160 1H4 C 15 1H4 C 15 23.469 4.088 -3.374 161 2H4 C 15 2H4 C 15 22.960 4.181 -1.702 162 H5 C 15 H5 C 15 25.774 4.255 -4.063 163 H6 C 15 H6 C 15 28.082 4.555 -3.303 164 1H5* U 16 1H5* U 16 30.907 1.936 2.485 165 2H5* U 16 2H5* U 16 30.956 0.262 3.070 166 H4* U 16 H4* U 16 29.409 2.008 4.293 167 H3* U 16 H3* U 16 28.539 -0.781 3.396 168 1H2* U 16 1H2* U 16 26.463 -0.406 4.459 169 2HO* U 16 2HO* U 16 27.524 1.986 5.602 170 H1* U 16 H1* U 16 26.181 2.243 3.667 171 H3 U 16 H3 U 16 22.949 -0.513 1.755 172 H5 U 16 H5 U 16 26.281 -0.633 -0.835 173 H6 U 16 H6 U 16 27.560 0.543 0.850 174 1H5* A 17 1H5* A 17 27.578 -1.157 7.708 175 2H5* A 17 2H5* A 17 27.992 -2.834 8.116 176 H4* A 17 H4* A 17 25.543 -2.187 8.453 177 H3* A 17 H3* A 17 26.331 -4.484 6.626 178 1H2* A 17 1H2* A 17 24.026 -4.950 6.366 179 2HO* A 17 2HO* A 17 23.445 -3.072 8.431 180 H1* A 17 H1* A 17 23.163 -2.322 6.205 181 H8 A 17 H8 A 17 26.274 -2.765 4.101 182 1H6 A 17 1H6 A 17 22.694 -4.962 -0.404 183 2H6 A 17 2H6 A 17 24.301 -4.412 0.015 184 H2 A 17 H2 A 17 20.189 -4.627 3.316 185 1H5* U 18 1H5* U 18 23.808 -6.509 9.222 186 2H5* U 18 2H5* U 18 24.334 -8.191 9.448 187 H4* U 18 H4* U 18 22.138 -7.931 8.200 188 H3* U 18 H3* U 18 24.543 -9.271 6.883 189 1H2* U 18 1H2* U 18 23.216 -9.752 5.003 190 2HO* U 18 2HO* U 18 20.966 -9.642 5.033 191 H1* U 18 H1* U 18 21.804 -7.358 4.947 192 H3 U 18 H3 U 18 24.405 -7.687 1.150 193 H5 U 18 H5 U 18 26.975 -6.176 4.134 194 H6 U 18 H6 U 18 25.234 -6.591 5.767 195 1H5* G 19 1H5* G 19 21.697 -13.500 7.277 196 2H5* G 19 2H5* G 19 23.206 -14.452 7.314 197 H4* G 19 H4* G 19 21.351 -14.921 5.491 198 H3* G 19 H3* G 19 24.317 -14.523 4.862 199 1H2* G 19 1H2* G 19 23.826 -15.108 2.624 200 2HO* G 19 2HO* G 19 22.484 -16.868 2.880 201 H1* G 19 H1* G 19 21.445 -13.690 2.470 202 H8 G 19 H8 G 19 24.188 -11.720 4.227 203 H1 G 19 H1 G 19 24.688 -11.485 -2.126 204 1H2 G 19 1H2 G 19 22.205 -13.934 -2.115 205 2H2 G 19 2H2 G 19 23.270 -12.918 -3.062 206 1H5* C 20 1H5* C 20 23.577 -18.862 3.236 207 2H5* C 20 2H5* C 20 25.178 -19.587 3.487 208 H4* C 20 H4* C 20 24.224 -19.587 1.075 209 H3* C 20 H3* C 20 26.984 -18.437 1.736 210 1H2* C 20 1H2* C 20 27.318 -18.256 -0.605 211 2HO* C 20 2HO* C 20 24.889 -19.692 -1.042 212 H1* C 20 H1* C 20 24.741 -17.372 -1.184 213 1H4 C 20 1H4 C 20 28.367 -12.086 0.571 214 2H4 C 20 2H4 C 20 28.546 -12.223 -1.162 215 H5 C 20 H5 C 20 27.194 -13.717 1.910 216 H6 C 20 H6 C 20 25.947 -15.822 1.871 217 1H5* C 21 1H5* C 21 29.074 -22.561 -0.921 218 2H5* C 21 2H5* C 21 27.502 -21.779 -1.178 219 H4* C 21 H4* C 21 28.522 -21.545 -3.281 220 H3* C 21 H3* C 21 31.111 -21.069 -1.728 221 1H2* C 21 1H2* C 21 31.937 -19.875 -3.589 222 2HO* C 21 2HO* C 21 30.957 -19.970 -5.625 223 H1* C 21 H1* C 21 29.553 -18.579 -4.219 224 1H4 C 21 1H4 C 21 32.614 -15.007 0.477 225 2H4 C 21 2H4 C 21 33.128 -14.328 -1.050 226 H5 C 21 H5 C 21 31.248 -16.991 0.646 227 H6 C 21 H6 C 21 30.086 -18.742 -0.610 228 H3T C 21 H3T C 21 31.823 -22.640 -3.246 No H/Q in entry = 228
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