NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
12833 | 1tob | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5* G 1 5.209 -18.680 -8.335 2 2H5* G 1 2H5* G 1 6.266 -18.728 -6.879 3 H4* G 1 H4* G 1 7.436 -18.333 -9.083 4 H3* G 1 H3* G 1 7.269 -16.017 -7.239 5 1H2* G 1 1H2* G 1 7.516 -14.561 -8.615 6 2HO* G 1 2HO* G 1 9.306 -14.607 -10.135 7 H1* G 1 H1* G 1 8.004 -16.543 -10.853 8 H8 G 1 H8 G 1 4.632 -15.020 -10.869 9 H1 G 1 H1 G 1 8.879 -10.932 -13.367 10 1H2 G 1 1H2 G 1 10.968 -11.621 -12.914 11 2H2 G 1 2H2 G 1 11.306 -13.095 -12.026 12 H5T G 1 H5T G 1 5.714 -16.554 -6.498 13 1H5* G 2 1H5* G 2 11.335 -15.507 -8.471 14 2H5* G 2 2H5* G 2 12.346 -15.353 -6.989 15 H4* G 2 H4* G 2 12.665 -13.603 -8.823 16 H3* G 2 H3* G 2 11.223 -12.582 -6.382 17 1H2* G 2 1H2* G 2 10.708 -10.806 -7.278 18 2HO* G 2 2HO* G 2 12.980 -10.064 -7.089 19 H1* G 2 H1* G 2 11.994 -11.683 -9.874 20 H8 G 2 H8 G 2 8.249 -12.044 -9.303 21 H1 G 2 H1 G 2 9.800 -6.412 -11.908 22 1H2 G 2 1H2 G 2 12.031 -6.090 -11.742 23 2H2 G 2 2H2 G 2 13.116 -7.335 -11.152 24 1H5* C 3 1H5* C 3 15.097 -10.032 -6.998 25 2H5* C 3 2H5* C 3 15.634 -9.666 -5.318 26 H4* C 3 H4* C 3 15.691 -7.673 -6.838 27 H3* C 3 H3* C 3 13.218 -7.646 -5.085 28 1H2* C 3 1H2* C 3 12.845 -5.487 -5.736 29 2HO* C 3 2HO* C 3 14.453 -4.226 -6.147 30 H1* C 3 H1* C 3 13.654 -5.935 -8.260 31 1H4 C 3 1H4 C 3 7.354 -5.771 -8.870 32 2H4 C 3 2H4 C 3 7.126 -7.309 -8.058 33 H5 C 3 H5 C 3 9.045 -8.606 -7.202 34 H6 C 3 H6 C 3 11.463 -8.561 -6.841 35 1H5* A 4 1H5* A 4 15.589 -4.052 -4.503 36 2H5* A 4 2H5* A 4 15.478 -3.628 -2.757 37 H4* A 4 H4* A 4 15.084 -1.692 -4.280 38 H3* A 4 H3* A 4 12.483 -2.801 -3.169 39 1H2* A 4 1H2* A 4 11.492 -0.834 -4.074 40 2HO* A 4 2HO* A 4 12.642 0.861 -4.102 41 H1* A 4 H1* A 4 12.555 -0.983 -6.272 42 H8 A 4 H8 A 4 11.769 -4.323 -4.702 43 1H6 A 4 1H6 A 4 6.155 -3.824 -7.276 44 2H6 A 4 2H6 A 4 7.228 -4.868 -6.370 45 H2 A 4 H2 A 4 8.401 0.001 -7.981 46 1H5* C 5 1H5* C 5 13.013 1.426 -2.009 47 2H5* C 5 2H5* C 5 12.256 1.725 -0.402 48 H4* C 5 H4* C 5 11.539 3.185 -2.336 49 H3* C 5 H3* C 5 9.375 1.285 -1.487 50 1H2* C 5 1H2* C 5 7.940 2.278 -2.870 51 2HO* C 5 2HO* C 5 8.154 4.257 -3.357 52 H1* C 5 H1* C 5 9.561 2.010 -4.945 53 1H4 C 5 1H4 C 5 6.484 -3.560 -4.022 54 2H4 C 5 2H4 C 5 7.811 -4.110 -3.013 55 H5 C 5 H5 C 5 9.611 -2.556 -2.266 56 H6 C 5 H6 C 5 10.437 -0.214 -2.511 57 1H5* G 6 1H5* G 6 7.596 5.148 -1.404 58 2H5* G 6 2H5* G 6 6.402 5.370 -0.078 59 H4* G 6 H4* G 6 5.718 5.718 -2.611 60 H3* G 6 H3* G 6 4.419 3.392 -1.205 61 1H2* G 6 1H2* G 6 2.914 3.276 -3.106 62 2HO* G 6 2HO* G 6 3.216 5.590 -3.750 63 H1* G 6 H1* G 6 5.035 2.874 -4.548 64 H8 G 6 H8 G 6 6.783 1.292 -1.745 65 H1 G 6 H1 G 6 1.248 -1.736 -2.716 66 1H2 G 6 1H2 G 6 -0.094 -0.461 -4.040 67 2H2 G 6 2H2 G 6 0.359 1.148 -4.551 68 1H5* A 7 1H5* A 7 -0.234 6.968 -1.825 69 2H5* A 7 2H5* A 7 -0.329 6.282 -0.172 70 H4* A 7 H4* A 7 0.831 4.961 -2.713 71 H3* A 7 H3* A 7 -1.717 4.564 -1.151 72 1H2* A 7 1H2* A 7 -1.477 2.552 -0.992 73 2HO* A 7 2HO* A 7 -1.243 1.150 -2.728 74 H1* A 7 H1* A 7 0.984 2.709 -2.699 75 H8 A 7 H8 A 7 2.916 2.314 -0.246 76 1H6 A 7 1H6 A 7 1.170 -3.202 1.878 77 2H6 A 7 2H6 A 7 2.483 -2.052 1.733 78 H2 A 7 H2 A 7 -2.082 -1.727 -0.812 79 1H5* G 8 1H5* G 8 -2.962 2.951 -5.804 80 2H5* G 8 2H5* G 8 -4.550 3.806 -5.762 81 H4* G 8 H4* G 8 -4.551 1.372 -6.583 82 H3* G 8 H3* G 8 -5.818 1.870 -3.856 83 1H2* G 8 1H2* G 8 -6.561 -0.357 -3.843 84 2HO* G 8 2HO* G 8 -5.773 -1.625 -5.793 85 H1* G 8 H1* G 8 -4.119 -1.274 -4.407 86 H8 G 8 H8 G 8 -3.375 1.915 -2.479 87 H1 G 8 H1 G 8 -5.157 -2.963 1.250 88 1H2 G 8 1H2 G 8 -6.008 -4.612 -0.024 89 2H2 G 8 2H2 G 8 -5.962 -4.581 -1.771 90 1H5* G 9 1H5* G 9 -9.966 3.303 -2.915 91 2H5* G 9 2H5* G 9 -8.411 2.799 -2.180 92 H4* G 9 H4* G 9 -11.069 1.237 -2.405 93 H3* G 9 H3* G 9 -9.674 2.641 -0.111 94 1H2* G 9 1H2* G 9 -10.805 1.150 1.347 95 2HO* G 9 2HO* G 9 -12.726 0.989 0.082 96 H1* G 9 H1* G 9 -9.840 -0.971 0.037 97 H8 G 9 H8 G 9 -7.242 1.516 -0.948 98 H1 G 9 H1 G 9 -6.453 -0.107 5.160 99 1H2 G 9 1H2 G 9 -8.211 -1.321 5.899 100 2H2 G 9 2H2 G 9 -9.667 -1.542 4.948 101 1H5* U 10 1H5* U 10 -13.413 4.419 3.180 102 2H5* U 10 2H5* U 10 -11.631 4.193 3.103 103 H4* U 10 H4* U 10 -13.869 2.137 3.692 104 H3* U 10 H3* U 10 -11.874 3.596 5.439 105 1H2* U 10 1H2* U 10 -11.511 1.727 6.769 106 2HO* U 10 2HO* U 10 -13.538 0.923 6.828 107 H1* U 10 H1* U 10 -10.995 0.118 4.746 108 H3 U 10 H3 U 10 -7.222 2.410 6.604 109 H5 U 10 H5 U 10 -7.976 3.850 2.701 110 H6 U 10 H6 U 10 -10.042 2.730 2.762 111 1H5* U 11 1H5* U 11 -12.887 0.914 9.761 112 2H5* U 11 2H5* U 11 -14.011 2.212 10.258 113 H4* U 11 H4* U 11 -11.590 2.130 11.180 114 H3* U 11 H3* U 11 -11.988 4.593 9.453 115 1H2* U 11 1H2* U 11 -9.965 5.303 10.572 116 2HO* U 11 2HO* U 11 -9.578 4.523 12.452 117 H1* U 11 H1* U 11 -8.833 3.027 10.146 118 H3 U 11 H3 U 11 -6.661 5.778 7.437 119 H5 U 11 H5 U 11 -10.429 5.495 5.563 120 H6 U 11 H6 U 11 -11.167 4.156 7.440 121 1H5* U 12 1H5* U 12 -10.961 5.276 13.871 122 2H5* U 12 2H5* U 12 -11.760 6.820 14.347 123 H4* U 12 H4* U 12 -9.259 6.586 14.957 124 H3* U 12 H3* U 12 -9.753 8.424 12.656 125 1H2* U 12 1H2* U 12 -7.606 9.205 12.941 126 2HO* U 12 2HO* U 12 -6.298 8.496 14.553 127 H1* U 12 H1* U 12 -6.712 6.684 12.748 128 H3 U 12 H3 U 12 -6.061 8.773 8.742 129 H5 U 12 H5 U 12 -10.186 7.902 8.803 130 H6 U 12 H6 U 12 -9.895 7.213 11.118 131 1H5* A 13 1H5* A 13 -11.309 12.602 12.435 132 2H5* A 13 2H5* A 13 -11.421 11.354 11.146 133 H4* A 13 H4* A 13 -10.074 13.565 10.763 134 H3* A 13 H3* A 13 -9.202 11.196 9.736 135 1H2* A 13 1H2* A 13 -8.337 10.650 11.819 136 2HO* A 13 2HO* A 13 -6.249 11.481 10.055 137 H1* A 13 H1* A 13 -6.879 13.338 11.713 138 H8 A 13 H8 A 13 -8.480 10.923 14.426 139 1H6 A 13 1H6 A 13 -3.268 11.965 17.589 140 2H6 A 13 2H6 A 13 -4.811 11.136 17.578 141 H2 A 13 H2 A 13 -2.970 14.159 13.694 142 1H5* G 14 1H5* G 14 -5.572 12.883 10.424 143 2H5* G 14 2H5* G 14 -4.795 14.403 9.926 144 H4* G 14 H4* G 14 -2.894 13.036 9.148 145 H3* G 14 H3* G 14 -4.592 10.656 9.965 146 1H2* G 14 1H2* G 14 -2.505 9.481 10.151 147 2HO* G 14 2HO* G 14 -0.720 10.371 9.447 148 H1* G 14 H1* G 14 -1.513 11.550 11.566 149 H8 G 14 H8 G 14 -5.241 10.231 11.964 150 H1 G 14 H1 G 14 -1.222 8.828 16.744 151 1H2 G 14 1H2 G 14 1.168 10.481 14.807 152 2H2 G 14 2H2 G 14 0.816 9.624 16.290 153 1H5* C 15 1H5* C 15 -0.262 9.954 5.616 154 2H5* C 15 2H5* C 15 -1.940 9.316 5.663 155 H4* C 15 H4* C 15 -1.435 8.737 8.034 156 H3* C 15 H3* C 15 0.595 10.450 8.109 157 1H2* C 15 1H2* C 15 1.813 9.518 6.568 158 2HO* C 15 2HO* C 15 3.518 8.186 7.548 159 H1* C 15 H1* C 15 1.300 6.608 7.462 160 1H4 C 15 1H4 C 15 2.633 6.830 0.985 161 2H4 C 15 2H4 C 15 4.237 6.806 1.662 162 H5 C 15 H5 C 15 0.613 7.187 2.429 163 H6 C 15 H6 C 15 -0.113 7.374 4.799 164 1H5* U 16 1H5* U 16 1.588 6.806 12.209 165 2H5* U 16 2H5* U 16 0.265 7.029 11.021 166 H4* U 16 H4* U 16 0.181 6.829 14.101 167 H3* U 16 H3* U 16 -0.728 5.082 11.805 168 1H2* U 16 1H2* U 16 -2.461 4.223 13.129 169 2HO* U 16 2HO* U 16 -1.251 4.187 15.054 170 H1* U 16 H1* U 16 -3.357 6.620 13.786 171 H3 U 16 H3 U 16 -5.773 5.002 10.133 172 H5 U 16 H5 U 16 -2.727 7.378 8.535 173 H6 U 16 H6 U 16 -1.717 7.481 10.715 174 1H5* A 17 1H5* A 17 -0.589 -0.091 14.380 175 2H5* A 17 2H5* A 17 -0.719 0.533 12.698 176 H4* A 17 H4* A 17 -2.514 1.039 15.145 177 H3* A 17 H3* A 17 -2.852 -1.247 13.486 178 1H2* A 17 1H2* A 17 -2.653 0.011 11.695 179 2HO* A 17 2HO* A 17 -5.050 0.117 11.017 180 H1* A 17 H1* A 17 -4.869 1.736 12.751 181 H8 A 17 H8 A 17 -1.751 3.368 11.263 182 1H6 A 17 1H6 A 17 -4.947 3.640 6.011 183 2H6 A 17 2H6 A 17 -3.510 4.142 6.867 184 H2 A 17 H2 A 17 -7.181 0.979 9.066 185 1H5* C 18 1H5* C 18 -8.463 -1.361 12.348 186 2H5* C 18 2H5* C 18 -7.962 -2.651 13.487 187 H4* C 18 H4* C 18 -8.077 -3.238 11.006 188 H3* C 18 H3* C 18 -5.632 -3.548 12.522 189 1H2* C 18 1H2* C 18 -4.477 -2.317 11.245 190 2HO* C 18 2HO* C 18 -4.120 -4.828 10.570 191 H1* C 18 H1* C 18 -6.306 -3.231 9.067 192 1H4 C 18 1H4 C 18 -3.914 1.105 5.075 193 2H4 C 18 2H4 C 18 -2.529 1.397 6.098 194 H5 C 18 H5 C 18 -2.251 0.227 8.260 195 H6 C 18 H6 C 18 -3.354 -1.233 9.860 196 1H5* A 19 1H5* A 19 -4.010 -8.299 10.936 197 2H5* A 19 2H5* A 19 -2.734 -7.184 10.351 198 H4* A 19 H4* A 19 -5.683 -7.324 9.510 199 H3* A 19 H3* A 19 -3.958 -9.263 8.777 200 1H2* A 19 1H2* A 19 -2.375 -7.733 8.150 201 2HO* A 19 2HO* A 19 -3.557 -8.242 5.547 202 H1* A 19 H1* A 19 -4.410 -6.346 6.392 203 H8 A 19 H8 A 19 -1.695 -5.335 9.052 204 1H6 A 19 1H6 A 19 0.584 -1.981 6.348 205 2H6 A 19 2H6 A 19 0.355 -1.417 4.705 206 H2 A 19 H2 A 19 -3.038 -3.757 2.975 207 1H5* C 20 1H5* C 20 -7.710 -7.627 6.475 208 2H5* C 20 2H5* C 20 -9.364 -8.301 6.427 209 H4* C 20 H4* C 20 -8.753 -9.296 4.260 210 H3* C 20 H3* C 20 -6.255 -9.844 5.184 211 1H2* C 20 1H2* C 20 -5.884 -7.598 5.555 212 2HO* C 20 2HO* C 20 -4.666 -7.969 2.993 213 H1* C 20 H1* C 20 -6.666 -7.274 2.620 214 1H4 C 20 1H4 C 20 -4.581 -1.427 3.477 215 2H4 C 20 2H4 C 20 -4.973 -1.360 5.180 216 H5 C 20 H5 C 20 -5.731 -3.429 6.371 217 H6 C 20 H6 C 20 -6.565 -5.670 6.029 218 1H5* U 21 1H5* U 21 -5.671 -10.706 -0.803 219 2H5* U 21 2H5* U 21 -4.060 -10.369 -0.103 220 H4* U 21 H4* U 21 -6.685 -8.844 0.427 221 H3* U 21 H3* U 21 -5.584 -8.758 -2.057 222 1H2* U 21 1H2* U 21 -3.435 -8.336 -0.988 223 2HO* U 21 2HO* U 21 -4.649 -6.297 -2.514 224 H1* U 21 H1* U 21 -5.100 -6.138 0.236 225 H3 U 21 H3 U 21 -1.000 -3.875 0.584 226 H5 U 21 H5 U 21 -0.985 -6.870 3.524 227 H6 U 21 H6 U 21 -2.948 -7.820 2.508 228 1H5* C 22 1H5* C 22 -6.517 -3.813 -3.533 229 2H5* C 22 2H5* C 22 -7.038 -4.809 -4.940 230 H4* C 22 H4* C 22 -5.003 -3.162 -5.135 231 H3* C 22 H3* C 22 -4.459 -6.131 -5.344 232 1H2* C 22 1H2* C 22 -2.447 -5.919 -5.196 233 2HO* C 22 2HO* C 22 -2.638 -3.836 -7.120 234 H1* C 22 H1* C 22 -2.722 -2.910 -4.827 235 1H4 C 22 1H4 C 22 2.150 -3.789 -0.847 236 2H4 C 22 2H4 C 22 1.694 -5.439 -0.456 237 H5 C 22 H5 C 22 -0.113 -6.571 -1.677 238 H6 C 22 H6 C 22 -1.978 -6.237 -3.203 239 1H5* G 23 1H5* G 23 -4.207 -1.113 -6.717 240 2H5* G 23 2H5* G 23 -4.418 -1.011 -8.500 241 H4* G 23 H4* G 23 -2.463 0.247 -7.468 242 H3* G 23 H3* G 23 -1.396 -2.203 -8.999 243 1H2* G 23 1H2* G 23 0.433 -1.591 -8.817 244 2HO* G 23 2HO* G 23 0.158 0.475 -9.772 245 H1* G 23 H1* G 23 -0.043 0.103 -6.696 246 H8 G 23 H8 G 23 -0.188 -3.707 -6.072 247 H1 G 23 H1 G 23 5.609 -1.120 -5.267 248 1H2 G 23 1H2 G 23 5.572 1.029 -5.928 249 2H2 G 23 2H2 G 23 4.144 1.776 -6.626 250 1H5* U 24 1H5* U 24 -0.612 2.130 -10.998 251 2H5* U 24 2H5* U 24 -0.394 1.710 -12.738 252 H4* U 24 H4* U 24 1.375 3.253 -11.735 253 H3* U 24 H3* U 24 2.320 0.401 -12.155 254 1H2* U 24 1H2* U 24 4.479 1.157 -11.767 255 2HO* U 24 2HO* U 24 4.963 3.086 -12.200 256 H1* U 24 H1* U 24 3.732 2.473 -9.540 257 H3 U 24 H3 U 24 6.098 -1.367 -8.467 258 H5 U 24 H5 U 24 2.112 -2.631 -9.037 259 H6 U 24 H6 U 24 1.582 -0.453 -9.816 260 1H5* G 25 1H5* G 25 4.878 3.064 -14.143 261 2H5* G 25 2H5* G 25 5.323 2.416 -15.763 262 H4* G 25 H4* G 25 7.234 3.226 -14.280 263 H3* G 25 H3* G 25 7.130 0.189 -14.493 264 1H2* G 25 1H2* G 25 9.348 0.298 -13.507 265 2HO* G 25 2HO* G 25 9.847 2.403 -14.500 266 H1* G 25 H1* G 25 8.359 1.692 -11.489 267 H8 G 25 H8 G 25 5.347 -0.336 -12.662 268 H1 G 25 H1 G 25 9.484 -3.845 -9.293 269 1H2 G 25 1H2 G 25 11.437 -2.737 -9.066 270 2H2 G 25 2H2 G 25 11.668 -1.103 -9.663 271 1H5* C 26 1H5* C 26 11.046 1.149 -15.373 272 2H5* C 26 2H5* C 26 11.582 0.384 -16.914 273 H4* C 26 H4* C 26 13.046 -0.014 -14.811 274 H3* C 26 H3* C 26 11.476 -2.434 -15.843 275 1H2* C 26 1H2* C 26 12.599 -3.738 -14.190 276 2HO* C 26 2HO* C 26 14.594 -2.459 -14.348 277 H1* C 26 H1* C 26 11.965 -2.036 -12.250 278 1H4 C 26 1H4 C 26 7.006 -6.020 -12.763 279 2H4 C 26 2H4 C 26 6.132 -4.884 -13.777 280 H5 C 26 H5 C 26 7.189 -2.803 -14.583 281 H6 C 26 H6 C 26 9.240 -1.490 -14.556 282 1H5* C 27 1H5* C 27 14.579 -4.367 -14.964 283 2H5* C 27 2H5* C 27 15.592 -4.925 -16.346 284 H4* C 27 H4* C 27 14.964 -6.647 -14.529 285 H3* C 27 H3* C 27 13.863 -6.949 -17.280 286 1H2* C 27 1H2* C 27 12.210 -7.998 -16.790 287 2HO* C 27 2HO* C 27 12.343 -10.046 -15.615 288 H1* C 27 H1* C 27 12.990 -8.304 -13.878 289 1H4 C 27 1H4 C 27 6.659 -9.222 -14.129 290 2H4 C 27 2H4 C 27 6.393 -7.642 -14.847 291 H5 C 27 H5 C 27 8.245 -6.179 -15.468 292 H6 C 27 H6 C 27 10.669 -5.950 -15.513 293 H3T C 27 H3T C 27 15.634 -8.622 -15.775 294 H1 TOA 28 H1 TOA 28 -2.387 6.465 2.583 295 H2 TOA 28 H2 TOA 28 -0.480 5.094 1.881 296 H3 TOA 28 H3 TOA 28 -2.405 2.807 2.403 297 H4 TOA 28 H4 TOA 28 0.196 3.590 3.802 298 H5 TOA 28 H5 TOA 28 -2.662 3.583 4.773 299 1H6 TOA 28 1H6 TOA 28 -1.706 4.660 6.720 300 2H6 TOA 28 2H6 TOA 28 -1.054 3.014 6.564 301 HO2 TOA 28 HO2 TOA 28 -2.222 5.782 0.362 302 HO4 TOA 28 HO4 TOA 28 -0.285 1.712 5.210 303 HO6 TOA 28 HO6 TOA 28 0.635 4.579 7.165 304 1HN3 TOA 28 1H3 TOA 28 -1.226 1.790 0.861 305 2HN3 TOA 28 2H3 TOA 28 -0.102 3.028 0.734 306 3HN3 TOA 28 3H3 TOA 28 0.103 1.819 1.906 307 H1 TOB 29 H1 TOB 29 -6.021 4.089 2.386 308 1H2 TOB 29 1H2 TOB 29 -5.930 5.983 0.049 309 2H2 TOB 29 2H2 TOB 29 -7.242 4.721 0.282 310 H3 TOB 29 H3 TOB 29 -7.849 5.870 2.440 311 1H4 TOB 29 H4 TOB 29 -5.840 7.935 1.455 312 H5 TOB 29 H5 TOB 29 -5.807 6.118 3.899 313 H6 TOB 29 H6 TOB 29 -4.068 6.214 1.419 314 1HN1 TOB 29 1H1 TOB 29 -5.313 2.864 0.633 315 2HN1 TOB 29 2H1 TOB 29 -4.520 4.134 -0.175 316 3HN1 TOB 29 3H1 TOB 29 -3.876 3.491 1.246 317 1HN3 TOB 29 1H3 TOB 29 -8.010 7.355 -0.093 318 2HN3 TOB 29 2H3 TOB 29 -9.170 6.421 0.738 319 3HN3 TOB 29 3H3 TOB 29 -8.705 7.935 1.345 320 HO5 TOB 29 HO5 TOB 29 -3.632 7.074 4.276 321 H1 TOC 30 H1 TOC 30 -5.411 9.581 3.040 322 H2 TOC 30 H2 TOC 30 -6.317 11.170 4.690 323 1H3 TOC 30 1H3 TOC 30 -8.698 9.398 4.779 324 2H3 TOC 30 2H3 TOC 30 -8.435 10.796 5.845 325 H4 TOC 30 H4 TOC 30 -8.331 12.199 3.835 326 H5 TOC 30 H5 TOC 30 -8.981 9.625 2.331 327 1H6 TOC 30 1H6 TOC 30 -8.760 10.970 0.279 328 2H6 TOC 30 2H6 TOC 30 -10.089 11.591 1.301 329 1HN2 TOC 30 1H2 TOC 30 -5.096 9.274 5.495 330 2HN2 TOC 30 2H2 TOC 30 -6.290 9.764 6.589 331 3HN2 TOC 30 3H2 TOC 30 -6.542 8.377 5.621 332 1HN6 TOC 30 1H6 TOC 30 -8.547 13.270 2.143 333 2HN6 TOC 30 2H6 TOC 30 -7.343 12.696 1.093 334 3HN6 TOC 30 3H6 TOC 30 -8.767 13.375 0.462 335 HO4 TOC 30 HO4 TOC 30 -10.437 11.822 4.889 Start of MODEL 2 1 1H5* G 1 1H5* G 1 -1.904 -19.246 -5.426 2 2H5* G 1 2H5* G 1 -1.308 -19.078 -3.735 3 H4* G 1 H4* G 1 0.401 -19.800 -5.456 4 H3* G 1 H3* G 1 0.669 -17.060 -4.352 5 1H2* G 1 1H2* G 1 1.699 -16.262 -5.907 6 2HO* G 1 2HO* G 1 3.606 -17.313 -4.877 7 H1* G 1 H1* G 1 1.971 -18.945 -7.285 8 H8 G 1 H8 G 1 -0.505 -16.593 -8.787 9 H1 G 1 H1 G 1 5.428 -15.245 -10.783 10 1H2 G 1 1H2 G 1 6.929 -16.365 -9.522 11 2H2 G 1 2H2 G 1 6.445 -17.379 -8.175 12 H5T G 1 H5T G 1 -1.748 -16.935 -5.515 13 1H5* G 2 1H5* G 2 4.919 -18.545 -4.227 14 2H5* G 2 2H5* G 2 5.523 -18.225 -2.560 15 H4* G 2 H4* G 2 7.008 -17.496 -4.550 16 H3* G 2 H3* G 2 5.675 -15.257 -3.027 17 1H2* G 2 1H2* G 2 6.154 -13.832 -4.423 18 2HO* G 2 2HO* G 2 8.428 -13.887 -3.695 19 H1* G 2 H1* G 2 7.440 -15.892 -6.225 20 H8 G 2 H8 G 2 3.820 -14.806 -6.670 21 H1 G 2 H1 G 2 7.862 -11.235 -10.097 22 1H2 G 2 1H2 G 2 9.976 -11.596 -9.401 23 2H2 G 2 2H2 G 2 10.386 -12.858 -8.254 24 1H5* C 3 1H5* C 3 10.293 -14.481 -2.939 25 2H5* C 3 2H5* C 3 10.564 -13.771 -1.307 26 H4* C 3 H4* C 3 11.725 -12.507 -3.127 27 H3* C 3 H3* C 3 9.139 -11.149 -2.327 28 1H2* C 3 1H2* C 3 9.772 -9.318 -3.537 29 2HO* C 3 2HO* C 3 11.768 -8.822 -3.742 30 H1* C 3 H1* C 3 10.820 -10.767 -5.513 31 1H4 C 3 1H4 C 3 5.232 -9.047 -7.951 32 2H4 C 3 2H4 C 3 4.325 -10.110 -6.897 33 H5 C 3 H5 C 3 5.440 -11.473 -5.173 34 H6 C 3 H6 C 3 7.597 -11.998 -4.148 35 1H5* A 4 1H5* A 4 12.439 -8.409 -1.924 36 2H5* A 4 2H5* A 4 12.118 -7.397 -0.470 37 H4* A 4 H4* A 4 12.758 -6.084 -2.495 38 H3* A 4 H3* A 4 9.763 -5.969 -1.988 39 1H2* A 4 1H2* A 4 9.764 -4.248 -3.677 40 2HO* A 4 2HO* A 4 11.455 -3.122 -3.882 41 H1* A 4 H1* A 4 11.062 -5.499 -5.304 42 H8 A 4 H8 A 4 8.938 -7.675 -3.120 43 1H6 A 4 1H6 A 4 4.335 -6.624 -7.118 44 2H6 A 4 2H6 A 4 4.804 -7.494 -5.674 45 H2 A 4 H2 A 4 7.841 -4.053 -8.249 46 1H5* C 5 1H5* C 5 11.703 -2.195 -2.238 47 2H5* C 5 2H5* C 5 11.071 -0.997 -1.055 48 H4* C 5 H4* C 5 11.183 -0.279 -3.464 49 H3* C 5 H3* C 5 8.393 -0.761 -2.505 50 1H2* C 5 1H2* C 5 7.517 0.048 -4.416 51 2HO* C 5 2HO* C 5 8.997 1.739 -4.790 52 H1* C 5 H1* C 5 9.063 -1.539 -5.886 53 1H4 C 5 1H4 C 5 4.130 -5.220 -4.217 54 2H4 C 5 2H4 C 5 4.946 -5.668 -2.732 55 H5 C 5 H5 C 5 7.104 -4.561 -2.028 56 H6 C 5 H6 C 5 8.751 -2.816 -2.737 57 1H5* G 6 1H5* G 6 6.920 3.808 -0.012 58 2H5* G 6 2H5* G 6 6.769 2.045 -0.290 59 H4* G 6 H4* G 6 7.201 4.313 -2.344 60 H3* G 6 H3* G 6 4.796 2.640 -1.625 61 1H2* G 6 1H2* G 6 3.928 3.047 -3.820 62 2HO* G 6 2HO* G 6 6.456 4.317 -4.226 63 H1* G 6 H1* G 6 6.165 1.982 -4.807 64 H8 G 6 H8 G 6 6.694 0.097 -1.784 65 H1 G 6 H1 G 6 1.284 -1.974 -4.486 66 1H2 G 6 1H2 G 6 0.582 -0.509 -6.013 67 2H2 G 6 2H2 G 6 1.462 0.957 -6.411 68 1H5* A 7 1H5* A 7 2.460 5.965 -2.813 69 2H5* A 7 2H5* A 7 1.214 6.394 -1.587 70 H4* A 7 H4* A 7 0.427 5.659 -3.939 71 H3* A 7 H3* A 7 -0.197 3.753 -1.655 72 1H2* A 7 1H2* A 7 -1.415 2.428 -3.170 73 2HO* A 7 2HO* A 7 -2.262 4.080 -4.389 74 H1* A 7 H1* A 7 0.668 2.218 -4.807 75 H8 A 7 H8 A 7 2.775 2.732 -1.920 76 1H6 A 7 1H6 A 7 1.060 -2.696 0.477 77 2H6 A 7 2H6 A 7 2.291 -1.449 0.488 78 H2 A 7 H2 A 7 -1.765 -1.679 -2.836 79 1H5* G 8 1H5* G 8 -5.922 4.246 -3.417 80 2H5* G 8 2H5* G 8 -5.357 3.585 -1.850 81 H4* G 8 H4* G 8 -5.115 2.435 -4.692 82 H3* G 8 H3* G 8 -7.357 2.250 -3.211 83 1H2* G 8 1H2* G 8 -6.180 1.652 -1.298 84 2HO* G 8 2HO* G 8 -6.808 -1.008 -2.225 85 H1* G 8 H1* G 8 -4.853 -0.537 -2.910 86 H8 G 8 H8 G 8 -2.149 1.309 -1.733 87 H1 G 8 H1 G 8 -4.136 -2.190 3.182 88 1H2 G 8 1H2 G 8 -6.394 -2.800 2.818 89 2H2 G 8 2H2 G 8 -7.062 -2.554 1.201 90 1H5* G 9 1H5* G 9 -10.792 1.567 -3.721 91 2H5* G 9 2H5* G 9 -9.275 1.528 -2.770 92 H4* G 9 H4* G 9 -11.669 -0.433 -2.708 93 H3* G 9 H3* G 9 -10.732 1.670 -0.724 94 1H2* G 9 1H2* G 9 -11.826 0.387 0.969 95 2HO* G 9 2HO* G 9 -12.385 -1.403 -1.196 96 H1* G 9 H1* G 9 -10.387 -1.732 0.283 97 H8 G 9 H8 G 9 -8.603 1.533 -0.893 98 H1 G 9 H1 G 9 -6.825 -0.408 4.888 99 1H2 G 9 1H2 G 9 -8.169 -2.072 5.601 100 2H2 G 9 2H2 G 9 -9.367 -2.828 4.568 101 1H5* U 10 1H5* U 10 -14.100 3.300 2.560 102 2H5* U 10 2H5* U 10 -12.349 3.479 2.181 103 H4* U 10 H4* U 10 -13.809 1.102 3.504 104 H3* U 10 H3* U 10 -12.039 3.270 4.692 105 1H2* U 10 1H2* U 10 -11.644 1.715 6.487 106 2HO* U 10 2HO* U 10 -13.291 -0.022 4.901 107 H1* U 10 H1* U 10 -10.796 -0.077 4.709 108 H3 U 10 H3 U 10 -7.334 2.629 6.501 109 H5 U 10 H5 U 10 -8.202 4.059 2.649 110 H6 U 10 H6 U 10 -10.154 2.682 2.623 111 1H5* U 11 1H5* U 11 -13.036 2.096 8.292 112 2H5* U 11 2H5* U 11 -14.058 3.390 9.019 113 H4* U 11 H4* U 11 -12.024 2.595 10.385 114 H3* U 11 H3* U 11 -11.820 5.355 9.139 115 1H2* U 11 1H2* U 11 -9.833 5.700 10.323 116 2HO* U 11 2HO* U 11 -9.511 4.684 12.086 117 H1* U 11 H1* U 11 -8.798 3.492 9.579 118 H3 U 11 H3 U 11 -6.768 6.372 6.798 119 H5 U 11 H5 U 11 -10.670 6.147 5.220 120 H6 U 11 H6 U 11 -11.278 4.804 7.116 121 1H5* U 12 1H5* U 12 -10.789 5.209 13.408 122 2H5* U 12 2H5* U 12 -11.590 6.617 14.203 123 H4* U 12 H4* U 12 -9.097 6.296 14.726 124 H3* U 12 H3* U 12 -9.700 8.533 12.802 125 1H2* U 12 1H2* U 12 -7.570 9.325 13.104 126 2HO* U 12 2HO* U 12 -6.173 8.429 14.528 127 H1* U 12 H1* U 12 -6.588 6.916 12.580 128 H3 U 12 H3 U 12 -5.933 9.279 8.745 129 H5 U 12 H5 U 12 -10.071 8.418 8.733 130 H6 U 12 H6 U 12 -9.793 7.568 10.995 131 1H5* A 13 1H5* A 13 -11.273 12.865 13.962 132 2H5* A 13 2H5* A 13 -11.686 11.900 12.497 133 H4* A 13 H4* A 13 -10.282 14.056 12.228 134 H3* A 13 H3* A 13 -9.754 11.745 10.920 135 1H2* A 13 1H2* A 13 -8.559 10.896 12.560 136 2HO* A 13 2HO* A 13 -6.489 12.123 11.032 137 H1* A 13 H1* A 13 -6.873 13.430 12.709 138 H8 A 13 H8 A 13 -8.517 10.674 15.015 139 1H6 A 13 1H6 A 13 -4.830 10.277 18.109 140 2H6 A 13 2H6 A 13 -3.289 11.095 18.273 141 H2 A 13 H2 A 13 -3.025 13.998 14.869 142 1H5* G 14 1H5* G 14 -4.636 15.300 11.251 143 2H5* G 14 2H5* G 14 -4.885 14.902 9.511 144 H4* G 14 H4* G 14 -2.726 14.122 10.501 145 H3* G 14 H3* G 14 -4.611 11.759 10.208 146 1H2* G 14 1H2* G 14 -2.654 10.464 10.439 147 2HO* G 14 2HO* G 14 -1.371 11.770 9.108 148 H1* G 14 H1* G 14 -1.688 12.173 12.415 149 H8 G 14 H8 G 14 -5.308 10.670 12.144 150 H1 G 14 H1 G 14 -1.629 8.064 16.691 151 1H2 G 14 1H2 G 14 0.413 8.980 16.645 152 2H2 G 14 2H2 G 14 0.848 10.219 15.491 153 1H5* C 15 1H5* C 15 -0.485 10.231 6.165 154 2H5* C 15 2H5* C 15 -2.044 9.408 6.500 155 H4* C 15 H4* C 15 -1.043 8.941 8.766 156 H3* C 15 H3* C 15 0.936 10.672 8.465 157 1H2* C 15 1H2* C 15 1.779 9.875 6.554 158 2HO* C 15 2HO* C 15 3.055 8.644 8.717 159 H1* C 15 H1* C 15 1.401 6.880 7.302 160 1H4 C 15 1H4 C 15 0.476 7.752 0.811 161 2H4 C 15 2H4 C 15 2.173 7.333 0.865 162 H5 C 15 H5 C 15 -0.910 7.892 2.854 163 H6 C 15 H6 C 15 -0.772 7.915 5.339 164 1H5* U 16 1H5* U 16 1.786 6.310 12.241 165 2H5* U 16 2H5* U 16 0.668 6.835 10.942 166 H4* U 16 H4* U 16 0.192 6.631 13.988 167 H3* U 16 H3* U 16 -0.736 5.112 11.591 168 1H2* U 16 1H2* U 16 -2.711 4.413 12.867 169 2HO* U 16 2HO* U 16 -1.674 6.164 14.843 170 H1* U 16 H1* U 16 -3.189 6.880 13.437 171 H3 U 16 H3 U 16 -5.708 5.419 9.694 172 H5 U 16 H5 U 16 -2.798 8.083 8.335 173 H6 U 16 H6 U 16 -1.695 7.933 10.463 174 1H5* A 17 1H5* A 17 0.057 -0.374 13.260 175 2H5* A 17 2H5* A 17 -0.237 0.469 11.708 176 H4* A 17 H4* A 17 -1.509 0.982 14.465 177 H3* A 17 H3* A 17 -2.339 -1.141 12.783 178 1H2* A 17 1H2* A 17 -2.393 0.293 11.095 179 2HO* A 17 2HO* A 17 -4.965 -0.433 12.099 180 H1* A 17 H1* A 17 -4.204 2.084 12.732 181 H8 A 17 H8 A 17 -1.474 3.648 10.768 182 1H6 A 17 1H6 A 17 -5.290 4.176 6.001 183 2H6 A 17 2H6 A 17 -3.780 4.664 6.726 184 H2 A 17 H2 A 17 -7.191 1.429 9.193 185 1H5* C 18 1H5* C 18 -7.919 -1.402 12.810 186 2H5* C 18 2H5* C 18 -7.108 -2.736 13.691 187 H4* C 18 H4* C 18 -7.737 -3.038 11.194 188 H3* C 18 H3* C 18 -4.895 -3.226 12.019 189 1H2* C 18 1H2* C 18 -4.142 -2.317 10.409 190 2HO* C 18 2HO* C 18 -5.288 -4.313 8.670 191 H1* C 18 H1* C 18 -6.714 -2.784 9.007 192 1H4 C 18 1H4 C 18 -4.715 1.539 4.721 193 2H4 C 18 2H4 C 18 -3.321 1.931 5.709 194 H5 C 18 H5 C 18 -2.899 0.928 7.819 195 H6 C 18 H6 C 18 -3.729 -0.605 9.499 196 1H5* A 19 1H5* A 19 -3.821 -7.868 12.086 197 2H5* A 19 2H5* A 19 -2.537 -6.829 12.803 198 H4* A 19 H4* A 19 -4.283 -6.343 10.333 199 H3* A 19 H3* A 19 -1.774 -7.804 10.412 200 1H2* A 19 1H2* A 19 -0.563 -5.847 10.559 201 2HO* A 19 2HO* A 19 -0.837 -5.062 8.009 202 H1* A 19 H1* A 19 -2.786 -4.747 8.805 203 H8 A 19 H8 A 19 -0.884 -3.199 11.875 204 1H6 A 19 1H6 A 19 0.086 1.134 9.691 205 2H6 A 19 2H6 A 19 0.037 1.567 8.000 206 H2 A 19 H2 A 19 -2.064 -1.658 5.771 207 1H5* C 20 1H5* C 20 -6.633 -7.560 8.892 208 2H5* C 20 2H5* C 20 -6.856 -8.648 7.475 209 H4* C 20 H4* C 20 -8.209 -6.416 7.626 210 H3* C 20 H3* C 20 -6.142 -6.525 5.396 211 1H2* C 20 1H2* C 20 -7.187 -4.502 4.591 212 2HO* C 20 2HO* C 20 -8.602 -3.599 6.367 213 H1* C 20 H1* C 20 -6.706 -3.389 6.944 214 1H4 C 20 1H4 C 20 -1.327 -2.916 3.682 215 2H4 C 20 2H4 C 20 -0.657 -4.365 4.392 216 H5 C 20 H5 C 20 -1.978 -5.744 6.026 217 H6 C 20 H6 C 20 -4.198 -5.984 7.026 218 1H5* U 21 1H5* U 21 -8.541 -7.364 0.674 219 2H5* U 21 2H5* U 21 -6.781 -7.520 1.023 220 H4* U 21 H4* U 21 -8.414 -4.964 0.466 221 H3* U 21 H3* U 21 -7.494 -6.794 -1.440 222 1H2* U 21 1H2* U 21 -5.342 -6.539 -0.926 223 2HO* U 21 2HO* U 21 -5.716 -4.346 -2.730 224 H1* U 21 H1* U 21 -5.873 -3.545 -0.710 225 H3 U 21 H3 U 21 -1.374 -2.947 -0.663 226 H5 U 21 H5 U 21 -2.049 -5.674 2.467 227 H6 U 21 H6 U 21 -4.355 -5.806 1.771 228 1H5* C 22 1H5* C 22 -7.556 -3.099 -4.870 229 2H5* C 22 2H5* C 22 -6.201 -4.179 -4.405 230 H4* C 22 H4* C 22 -6.181 -1.182 -5.045 231 H3* C 22 H3* C 22 -6.377 -3.031 -7.006 232 1H2* C 22 1H2* C 22 -4.581 -4.228 -6.019 233 2HO* C 22 2HO* C 22 -3.233 -2.757 -8.139 234 H1* C 22 H1* C 22 -3.079 -1.585 -6.162 235 1H4 C 22 1H4 C 22 1.605 -4.496 -3.000 236 2H4 C 22 2H4 C 22 0.599 -5.856 -2.526 237 H5 C 22 H5 C 22 -1.830 -5.817 -2.905 238 H6 C 22 H6 C 22 -3.631 -4.673 -4.087 239 1H5* G 23 1H5* G 23 -4.485 -2.247 -11.245 240 2H5* G 23 2H5* G 23 -4.376 -2.852 -9.554 241 H4* G 23 H4* G 23 -2.605 -0.788 -10.985 242 H3* G 23 H3* G 23 -1.703 -3.703 -10.446 243 1H2* G 23 1H2* G 23 0.228 -2.879 -10.752 244 2HO* G 23 2HO* G 23 0.672 -1.087 -11.827 245 H1* G 23 H1* G 23 0.032 -0.899 -9.392 246 H8 G 23 H8 G 23 -1.697 -4.093 -8.007 247 H1 G 23 H1 G 23 4.455 -3.285 -6.367 248 1H2 G 23 1H2 G 23 5.235 -1.437 -7.381 249 2H2 G 23 2H2 G 23 4.253 -0.457 -8.455 250 1H5* U 24 1H5* U 24 0.256 -1.305 -13.680 251 2H5* U 24 2H5* U 24 0.712 -2.425 -15.010 252 H4* U 24 H4* U 24 2.462 -0.726 -14.318 253 H3* U 24 H3* U 24 3.176 -3.529 -13.390 254 1H2* U 24 1H2* U 24 5.380 -2.580 -12.948 255 2HO* U 24 2HO* U 24 4.107 -0.117 -13.676 256 H1* U 24 H1* U 24 4.239 -0.832 -11.319 257 H3 U 24 H3 U 24 5.371 -4.666 -8.844 258 H5 U 24 H5 U 24 1.429 -5.248 -10.160 259 H6 U 24 H6 U 24 1.663 -3.280 -11.529 260 1H5* G 25 1H5* G 25 6.594 -2.244 -15.563 261 2H5* G 25 2H5* G 25 7.052 -3.508 -16.762 262 H4* G 25 H4* G 25 8.921 -2.607 -15.270 263 H3* G 25 H3* G 25 8.062 -5.436 -14.542 264 1H2* G 25 1H2* G 25 10.019 -5.457 -13.115 265 2HO* G 25 2HO* G 25 11.247 -3.998 -14.544 266 H1* G 25 H1* G 25 9.147 -3.295 -11.883 267 H8 G 25 H8 G 25 5.863 -4.598 -13.165 268 H1 G 25 H1 G 25 7.954 -8.073 -8.234 269 1H2 G 25 1H2 G 25 10.118 -7.612 -7.820 270 2H2 G 25 2H2 G 25 11.027 -6.416 -8.728 271 1H5* C 26 1H5* C 26 12.193 -5.899 -14.777 272 2H5* C 26 2H5* C 26 12.619 -7.254 -15.889 273 H4* C 26 H4* C 26 13.572 -7.343 -13.482 274 H3* C 26 H3* C 26 11.408 -9.402 -14.150 275 1H2* C 26 1H2* C 26 11.744 -10.340 -11.991 276 2HO* C 26 2HO* C 26 14.063 -9.842 -11.971 277 H1* C 26 H1* C 26 11.465 -7.990 -10.795 278 1H4 C 26 1H4 C 26 5.541 -10.230 -11.645 279 2H4 C 26 2H4 C 26 5.296 -9.159 -13.018 280 H5 C 26 H5 C 26 7.163 -7.854 -13.968 281 H6 C 26 H6 C 26 9.524 -7.321 -13.721 282 1H5* C 27 1H5* C 27 13.444 -11.771 -12.025 283 2H5* C 27 2H5* C 27 14.384 -13.034 -12.903 284 H4* C 27 H4* C 27 12.851 -13.769 -10.926 285 H3* C 27 H3* C 27 12.223 -14.614 -13.713 286 1H2* C 27 1H2* C 27 10.246 -14.909 -13.498 287 2HO* C 27 2HO* C 27 9.370 -16.360 -11.846 288 H1* C 27 H1* C 27 10.258 -14.415 -10.508 289 1H4 C 27 1H4 C 27 4.299 -13.252 -12.568 290 2H4 C 27 2H4 C 27 4.856 -11.960 -13.619 291 H5 C 27 H5 C 27 7.227 -11.458 -13.903 292 H6 C 27 H6 C 27 9.481 -12.072 -13.231 293 H3T C 27 H3T C 27 12.950 -16.174 -11.425 294 H1 TOA 28 H1 TOA 28 -1.813 5.172 1.707 295 H2 TOA 28 H2 TOA 28 0.143 3.708 2.276 296 H3 TOA 28 H3 TOA 28 -2.038 1.964 3.452 297 H4 TOA 28 H4 TOA 28 0.307 3.439 4.709 298 H5 TOA 28 H5 TOA 28 -2.710 3.845 4.935 299 1H6 TOA 28 1H6 TOA 28 -1.517 4.441 7.042 300 2H6 TOA 28 2H6 TOA 28 -0.391 5.437 6.088 301 HO2 TOA 28 HO2 TOA 28 -1.160 3.347 0.229 302 HO4 TOA 28 HO4 TOA 28 -0.677 2.647 6.808 303 HO6 TOA 28 HO6 TOA 28 -1.997 6.764 7.054 304 1HN3 TOA 28 1H3 TOA 28 -0.457 0.652 2.390 305 2HN3 TOA 28 2H3 TOA 28 0.860 1.404 3.162 306 3HN3 TOA 28 3H3 TOA 28 -0.263 0.493 4.079 307 H1 TOB 29 H1 TOB 29 -5.798 3.597 2.517 308 1H2 TOB 29 1H2 TOB 29 -5.820 5.217 -0.027 309 2H2 TOB 29 2H2 TOB 29 -7.250 4.261 0.583 310 H3 TOB 29 H3 TOB 29 -7.231 5.684 2.661 311 1H4 TOB 29 H4 TOB 29 -5.120 7.259 1.144 312 H5 TOB 29 H5 TOB 29 -4.887 5.635 3.727 313 H6 TOB 29 H6 TOB 29 -3.746 5.192 0.962 314 1HN1 TOB 29 1H1 TOB 29 -4.180 2.306 1.199 315 2HN1 TOB 29 2H1 TOB 29 -5.783 2.194 0.664 316 3HN1 TOB 29 3H1 TOB 29 -4.658 3.134 -0.183 317 1HN3 TOB 29 1H3 TOB 29 -7.399 7.249 0.152 318 2HN3 TOB 29 2H3 TOB 29 -8.622 6.266 0.802 319 3HN3 TOB 29 3H3 TOB 29 -8.095 7.632 1.656 320 HO5 TOB 29 HO5 TOB 29 -2.594 6.266 3.631 321 H1 TOC 30 H1 TOC 30 -4.200 8.918 2.384 322 H2 TOC 30 H2 TOC 30 -4.202 10.425 4.326 323 1H3 TOC 30 1H3 TOC 30 -6.709 9.039 5.114 324 2H3 TOC 30 2H3 TOC 30 -5.876 10.245 6.119 325 H4 TOC 30 H4 TOC 30 -6.177 11.848 4.284 326 H5 TOC 30 H5 TOC 30 -7.724 9.594 2.919 327 1H6 TOC 30 1H6 TOC 30 -7.125 12.436 1.967 328 2H6 TOC 30 2H6 TOC 30 -7.925 11.155 1.007 329 1HN2 TOC 30 1H2 TOC 30 -3.556 8.959 5.889 330 2HN2 TOC 30 2H2 TOC 30 -4.713 7.780 5.499 331 3HN2 TOC 30 3H2 TOC 30 -3.386 8.024 4.478 332 1HN6 TOC 30 1H6 TOC 30 -9.009 11.924 3.624 333 2HN6 TOC 30 2H6 TOC 30 -9.320 12.896 2.258 334 3HN6 TOC 30 3H6 TOC 30 -9.808 11.271 2.271 335 HO4 TOC 30 HO4 TOC 30 -7.868 11.638 5.976 Start of MODEL 3 1 1H5* G 1 1H5* G 1 13.165 -11.759 -1.228 2 2H5* G 1 2H5* G 1 13.147 -11.498 0.553 3 H4* G 1 H4* G 1 15.121 -10.541 -0.683 4 H3* G 1 H3* G 1 13.159 -8.589 0.386 5 1H2* G 1 1H2* G 1 13.605 -7.083 -0.899 6 2HO* G 1 2HO* G 1 15.893 -6.391 -1.171 7 H1* G 1 H1* G 1 15.940 -8.597 -2.088 8 H8 G 1 H8 G 1 12.820 -8.206 -4.162 9 H1 G 1 H1 G 1 16.634 -3.078 -4.641 10 1H2 G 1 1H2 G 1 18.231 -3.167 -3.056 11 2H2 G 1 2H2 G 1 18.366 -4.508 -1.936 12 H5T G 1 H5T G 1 11.628 -10.025 -1.312 13 1H5* G 2 1H5* G 2 17.107 -6.802 1.334 14 2H5* G 2 2H5* G 2 17.123 -6.381 3.083 15 H4* G 2 H4* G 2 18.055 -4.656 1.444 16 H3* G 2 H3* G 2 15.339 -3.855 2.561 17 1H2* G 2 1H2* G 2 15.406 -2.037 1.433 18 2HO* G 2 2HO* G 2 16.951 -0.690 1.845 19 H1* G 2 H1* G 2 17.740 -3.027 -0.159 20 H8 G 2 H8 G 2 14.421 -4.104 -1.503 21 H1 G 2 H1 G 2 15.762 1.904 -3.240 22 1H2 G 2 1H2 G 2 17.432 2.709 -1.969 23 2H2 G 2 2H2 G 2 18.343 1.703 -0.858 24 1H5* C 3 1H5* C 3 17.789 -0.485 3.398 25 2H5* C 3 2H5* C 3 17.471 0.087 5.074 26 H4* C 3 H4* C 3 17.347 1.806 3.111 27 H3* C 3 H3* C 3 14.726 1.077 4.422 28 1H2* C 3 1H2* C 3 13.568 2.032 3.000 29 2HO* C 3 2HO* C 3 14.283 4.161 3.785 30 H1* C 3 H1* C 3 15.977 2.710 1.355 31 1H4 C 3 1H4 C 3 11.454 1.728 -3.027 32 2H4 C 3 2H4 C 3 11.135 0.105 -2.453 33 H5 C 3 H5 C 3 12.295 -0.839 -0.509 34 H6 C 3 H6 C 3 13.907 -0.362 1.257 35 1H5* A 4 1H5* A 4 15.465 5.672 4.727 36 2H5* A 4 2H5* A 4 14.700 6.130 6.291 37 H4* A 4 H4* A 4 14.136 7.713 4.495 38 H3* A 4 H3* A 4 11.846 5.762 4.962 39 1H2* A 4 1H2* A 4 10.591 7.097 3.386 40 2HO* A 4 2HO* A 4 11.219 9.009 4.431 41 H1* A 4 H1* A 4 12.583 7.598 1.809 42 H8 A 4 H8 A 4 12.202 3.972 3.021 43 1H6 A 4 1H6 A 4 9.483 3.021 -2.469 44 2H6 A 4 2H6 A 4 9.994 2.266 -0.974 45 H2 A 4 H2 A 4 10.278 7.414 -2.024 46 1H5* C 5 1H5* C 5 7.943 8.849 6.265 47 2H5* C 5 2H5* C 5 8.581 7.390 5.461 48 H4* C 5 H4* C 5 8.230 10.238 4.418 49 H3* C 5 H3* C 5 6.746 7.722 3.772 50 1H2* C 5 1H2* C 5 6.190 8.555 1.779 51 2HO* C 5 2HO* C 5 5.811 10.603 1.780 52 H1* C 5 H1* C 5 8.676 9.120 1.161 53 1H4 C 5 1H4 C 5 7.698 2.833 0.046 54 2H4 C 5 2H4 C 5 8.263 2.514 1.674 55 H5 C 5 H5 C 5 8.775 4.333 3.296 56 H6 C 5 H6 C 5 8.699 6.789 3.590 57 1H5* G 6 1H5* G 6 3.789 10.746 3.396 58 2H5* G 6 2H5* G 6 2.101 10.262 3.780 59 H4* G 6 H4* G 6 2.740 11.021 1.353 60 H3* G 6 H3* G 6 1.912 8.113 1.624 61 1H2* G 6 1H2* G 6 1.874 8.038 -0.749 62 2HO* G 6 2HO* G 6 1.261 10.345 -0.922 63 H1* G 6 H1* G 6 4.396 8.938 -0.746 64 H8 G 6 H8 G 6 4.945 7.243 2.437 65 H1 G 6 H1 G 6 3.642 2.847 -1.998 66 1H2 G 6 1H2 G 6 2.687 3.787 -3.770 67 2H2 G 6 2H2 G 6 2.447 5.520 -3.931 68 1H5* A 7 1H5* A 7 -0.666 9.868 -0.963 69 2H5* A 7 2H5* A 7 -2.420 10.054 -1.275 70 H4* A 7 H4* A 7 -1.042 8.385 -2.699 71 H3* A 7 H3* A 7 -3.166 7.217 -0.871 72 1H2* A 7 1H2* A 7 -2.351 5.256 -1.115 73 2HO* A 7 2HO* A 7 -1.758 4.358 -3.110 74 H1* A 7 H1* A 7 -0.145 6.196 -2.880 75 H8 A 7 H8 A 7 1.031 6.151 0.522 76 1H6 A 7 1H6 A 7 2.100 0.111 0.370 77 2H6 A 7 2H6 A 7 2.433 1.647 1.128 78 H2 A 7 H2 A 7 -0.505 1.214 -3.232 79 1H5* G 8 1H5* G 8 -7.027 5.151 -3.251 80 2H5* G 8 2H5* G 8 -5.850 4.904 -1.909 81 H4* G 8 H4* G 8 -5.937 3.591 -4.687 82 H3* G 8 H3* G 8 -7.562 2.975 -2.520 83 1H2* G 8 1H2* G 8 -5.720 2.607 -1.220 84 2HO* G 8 2HO* G 8 -6.756 0.822 -0.715 85 H1* G 8 H1* G 8 -4.635 0.964 -3.548 86 H8 G 8 H8 G 8 -2.936 3.342 -0.938 87 H1 G 8 H1 G 8 -1.535 -2.867 -0.236 88 1H2 G 8 1H2 G 8 -2.759 -4.078 -1.780 89 2H2 G 8 2H2 G 8 -3.863 -3.299 -2.883 90 1H5* G 9 1H5* G 9 -11.074 0.098 -3.724 91 2H5* G 9 2H5* G 9 -11.551 1.831 -3.730 92 H4* G 9 H4* G 9 -12.476 0.186 -1.897 93 H3* G 9 H3* G 9 -10.670 2.396 -0.836 94 1H2* G 9 1H2* G 9 -11.379 1.712 1.288 95 2HO* G 9 2HO* G 9 -13.456 1.258 0.927 96 H1* G 9 H1* G 9 -10.835 -0.870 0.760 97 H8 G 9 H8 G 9 -8.658 2.030 -0.783 98 H1 G 9 H1 G 9 -6.648 -0.206 4.838 99 1H2 G 9 1H2 G 9 -8.023 -1.834 5.557 100 2H2 G 9 2H2 G 9 -9.590 -2.115 4.820 101 1H5* U 10 1H5* U 10 -14.070 4.068 3.145 102 2H5* U 10 2H5* U 10 -12.321 4.115 2.728 103 H4* U 10 H4* U 10 -13.992 1.725 3.745 104 H3* U 10 H3* U 10 -12.070 3.588 5.188 105 1H2* U 10 1H2* U 10 -11.717 1.784 6.749 106 2HO* U 10 2HO* U 10 -13.463 0.363 4.978 107 H1* U 10 H1* U 10 -11.041 0.176 4.764 108 H3 U 10 H3 U 10 -7.294 2.420 6.648 109 H5 U 10 H5 U 10 -8.146 4.242 2.958 110 H6 U 10 H6 U 10 -10.208 3.014 2.898 111 1H5* U 11 1H5* U 11 -13.110 2.161 8.736 112 2H5* U 11 2H5* U 11 -14.049 3.482 9.530 113 H4* U 11 H4* U 11 -12.058 2.579 10.846 114 H3* U 11 H3* U 11 -11.633 5.274 9.550 115 1H2* U 11 1H2* U 11 -9.664 5.541 10.816 116 2HO* U 11 2HO* U 11 -10.374 4.339 12.675 117 H1* U 11 H1* U 11 -8.782 3.279 10.024 118 H3 U 11 H3 U 11 -6.590 6.061 7.373 119 H5 U 11 H5 U 11 -10.369 5.792 5.496 120 H6 U 11 H6 U 11 -11.117 4.508 7.402 121 1H5* U 12 1H5* U 12 -11.819 7.453 14.088 122 2H5* U 12 2H5* U 12 -11.447 7.036 12.378 123 H4* U 12 H4* U 12 -9.525 7.239 14.793 124 H3* U 12 H3* U 12 -9.849 8.851 12.290 125 1H2* U 12 1H2* U 12 -7.740 9.696 12.728 126 2HO* U 12 2HO* U 12 -6.600 9.100 14.509 127 H1* U 12 H1* U 12 -6.798 7.226 12.911 128 H3 U 12 H3 U 12 -5.597 8.866 8.850 129 H5 U 12 H5 U 12 -9.711 8.078 8.417 130 H6 U 12 H6 U 12 -9.759 7.542 10.783 131 1H5* A 13 1H5* A 13 -11.219 13.227 11.704 132 2H5* A 13 2H5* A 13 -11.334 11.848 10.554 133 H4* A 13 H4* A 13 -9.875 13.915 9.969 134 H3* A 13 H3* A 13 -9.065 11.429 9.305 135 1H2* A 13 1H2* A 13 -8.393 11.095 11.502 136 2HO* A 13 2HO* A 13 -5.932 11.743 10.198 137 H1* A 13 H1* A 13 -6.639 13.561 11.191 138 H8 A 13 H8 A 13 -8.714 11.501 13.863 139 1H6 A 13 1H6 A 13 -4.058 12.798 17.703 140 2H6 A 13 2H6 A 13 -5.596 11.981 17.514 141 H2 A 13 H2 A 13 -3.169 14.746 13.765 142 1H5* G 14 1H5* G 14 -3.955 14.646 9.705 143 2H5* G 14 2H5* G 14 -3.785 13.744 8.157 144 H4* G 14 H4* G 14 -2.012 13.373 9.990 145 H3* G 14 H3* G 14 -3.887 11.000 9.615 146 1H2* G 14 1H2* G 14 -2.423 9.801 10.905 147 2HO* G 14 2HO* G 14 -0.363 10.075 10.634 148 H1* G 14 H1* G 14 -1.658 12.127 12.402 149 H8 G 14 H8 G 14 -5.216 10.559 11.977 150 H1 G 14 H1 G 14 -2.372 9.234 17.561 151 1H2 G 14 1H2 G 14 0.340 10.992 16.236 152 2H2 G 14 2H2 G 14 -0.309 10.096 17.591 153 1H5* C 15 1H5* C 15 0.194 10.670 7.607 154 2H5* C 15 2H5* C 15 0.708 9.421 6.526 155 H4* C 15 H4* C 15 -1.122 9.175 8.988 156 H3* C 15 H3* C 15 1.435 9.577 9.551 157 1H2* C 15 1H2* C 15 2.385 8.040 8.182 158 2HO* C 15 2HO* C 15 1.781 6.788 10.645 159 H1* C 15 H1* C 15 0.194 5.938 8.458 160 1H4 C 15 1H4 C 15 1.637 6.449 2.125 161 2H4 C 15 2H4 C 15 3.058 5.524 2.535 162 H5 C 15 H5 C 15 0.281 7.662 3.699 163 H6 C 15 H6 C 15 -0.350 7.760 6.010 164 1H5* U 16 1H5* U 16 0.827 7.434 14.664 165 2H5* U 16 2H5* U 16 1.568 5.858 14.244 166 H4* U 16 H4* U 16 -0.718 5.859 15.388 167 H3* U 16 H3* U 16 -0.956 5.034 12.501 168 1H2* U 16 1H2* U 16 -3.037 4.034 13.286 169 2HO* U 16 2HO* U 16 -2.319 3.505 15.385 170 H1* U 16 H1* U 16 -3.679 6.423 14.301 171 H3 U 16 H3 U 16 -5.732 5.274 10.225 172 H5 U 16 H5 U 16 -2.510 7.758 9.287 173 H6 U 16 H6 U 16 -1.737 7.565 11.573 174 1H5* A 17 1H5* A 17 0.181 -0.637 13.183 175 2H5* A 17 2H5* A 17 -0.177 0.402 11.766 176 H4* A 17 H4* A 17 -1.476 0.443 14.559 177 H3* A 17 H3* A 17 -2.109 -1.582 12.731 178 1H2* A 17 1H2* A 17 -2.298 -0.050 11.072 179 2HO* A 17 2HO* A 17 -4.723 -0.041 10.805 180 H1* A 17 H1* A 17 -4.285 1.387 12.815 181 H8 A 17 H8 A 17 -1.744 3.640 11.314 182 1H6 A 17 1H6 A 17 -5.225 4.143 6.289 183 2H6 A 17 2H6 A 17 -3.992 4.889 7.278 184 H2 A 17 H2 A 17 -6.899 0.772 8.928 185 1H5* C 18 1H5* C 18 -4.106 -4.534 12.465 186 2H5* C 18 2H5* C 18 -3.426 -3.048 11.713 187 H4* C 18 H4* C 18 -6.172 -4.354 11.260 188 H3* C 18 H3* C 18 -3.886 -5.505 10.288 189 1H2* C 18 1H2* C 18 -3.240 -3.418 9.401 190 2HO* C 18 2HO* C 18 -4.277 -5.150 7.347 191 H1* C 18 H1* C 18 -5.978 -3.530 8.240 192 1H4 C 18 1H4 C 18 -4.512 1.633 4.874 193 2H4 C 18 2H4 C 18 -3.311 2.178 6.035 194 H5 C 18 H5 C 18 -2.691 0.817 8.026 195 H6 C 18 H6 C 18 -3.288 -1.125 9.321 196 1H5* A 19 1H5* A 19 -5.762 -7.519 5.173 197 2H5* A 19 2H5* A 19 -4.577 -8.333 6.250 198 H4* A 19 H4* A 19 -3.672 -7.573 4.076 199 H3* A 19 H3* A 19 -2.453 -6.621 6.429 200 1H2* A 19 1H2* A 19 -3.011 -4.501 5.841 201 2HO* A 19 2HO* A 19 -0.976 -4.377 3.976 202 H1* A 19 H1* A 19 -2.565 -5.439 2.967 203 H8 A 19 H8 A 19 -2.837 -2.499 4.986 204 1H6 A 19 1H6 A 19 -4.753 0.679 1.683 205 2H6 A 19 2H6 A 19 -5.451 0.378 0.089 206 H2 A 19 H2 A 19 -5.474 -3.971 -0.633 207 1H5* C 20 1H5* C 20 -3.399 -9.522 3.185 208 2H5* C 20 2H5* C 20 -2.425 -11.004 2.929 209 H4* C 20 H4* C 20 -3.729 -9.982 0.952 210 H3* C 20 H3* C 20 -1.215 -10.969 0.693 211 1H2* C 20 1H2* C 20 -0.149 -9.102 1.243 212 2HO* C 20 2HO* C 20 -0.476 -8.601 -1.525 213 H1* C 20 H1* C 20 -1.940 -7.569 -0.705 214 1H4 C 20 1H4 C 20 0.075 -2.208 1.953 215 2H4 C 20 2H4 C 20 0.941 -3.036 3.226 216 H5 C 20 H5 C 20 0.869 -5.516 3.467 217 H6 C 20 H6 C 20 -0.006 -7.541 2.510 218 1H5* U 21 1H5* U 21 -1.738 -8.495 -4.466 219 2H5* U 21 2H5* U 21 -0.435 -8.553 -3.228 220 H4* U 21 H4* U 21 -2.099 -6.154 -4.222 221 H3* U 21 H3* U 21 0.488 -7.227 -5.145 222 1H2* U 21 1H2* U 21 1.566 -6.005 -3.755 223 2HO* U 21 2HO* U 21 0.846 -3.967 -5.651 224 H1* U 21 H1* U 21 -0.781 -4.076 -3.892 225 H3 U 21 H3 U 21 1.058 -0.817 -1.373 226 H5 U 21 H5 U 21 2.762 -4.306 0.286 227 H6 U 21 H6 U 21 1.596 -5.594 -1.392 228 1H5* C 22 1H5* C 22 -1.476 -1.495 -6.065 229 2H5* C 22 2H5* C 22 -1.204 -1.953 -7.785 230 H4* C 22 H4* C 22 0.114 0.023 -6.892 231 H3* C 22 H3* C 22 1.632 -2.490 -7.515 232 1H2* C 22 1H2* C 22 3.116 -2.037 -6.201 233 2HO* C 22 2HO* C 22 3.680 0.545 -7.371 234 H1* C 22 H1* C 22 1.993 0.758 -5.849 235 1H4 C 22 1H4 C 22 4.922 0.861 -0.201 236 2H4 C 22 2H4 C 22 5.349 -0.846 -0.245 237 H5 C 22 H5 C 22 4.637 -2.291 -2.110 238 H6 C 22 H6 C 22 3.439 -2.348 -4.222 239 1H5* G 23 1H5* G 23 1.809 1.686 -9.439 240 2H5* G 23 2H5* G 23 2.826 1.983 -10.892 241 H4* G 23 H4* G 23 2.833 3.733 -9.011 242 H3* G 23 H3* G 23 5.533 2.264 -9.095 243 1H2* G 23 1H2* G 23 6.312 3.477 -7.792 244 2HO* G 23 2HO* G 23 5.915 5.439 -8.864 245 H1* G 23 H1* G 23 3.935 4.360 -6.740 246 H8 G 23 H8 G 23 5.053 0.720 -6.068 247 H1 G 23 H1 G 23 6.987 4.905 -1.623 248 1H2 G 23 1H2 G 23 6.472 6.992 -2.265 249 2H2 G 23 2H2 G 23 5.740 7.337 -3.823 250 1H5* U 24 1H5* U 24 5.628 6.926 -10.439 251 2H5* U 24 2H5* U 24 7.123 6.990 -11.443 252 H4* U 24 H4* U 24 6.885 8.818 -9.684 253 H3* U 24 H3* U 24 8.908 6.686 -8.913 254 1H2* U 24 1H2* U 24 9.613 8.229 -7.227 255 2HO* U 24 2HO* U 24 9.325 10.224 -7.889 256 H1* U 24 H1* U 24 7.092 8.471 -6.371 257 H3 U 24 H3 U 24 9.392 5.566 -3.582 258 H5 U 24 H5 U 24 7.944 3.159 -6.695 259 H6 U 24 H6 U 24 7.232 5.126 -7.840 260 1H5* G 25 1H5* G 25 11.228 10.312 -8.990 261 2H5* G 25 2H5* G 25 12.751 9.966 -9.888 262 H4* G 25 H4* G 25 12.997 11.058 -7.590 263 H3* G 25 H3* G 25 13.804 8.120 -7.610 264 1H2* G 25 1H2* G 25 14.692 8.538 -5.416 265 2HO* G 25 2HO* G 25 15.264 10.789 -5.899 266 H1* G 25 H1* G 25 12.333 9.482 -4.638 267 H8 G 25 H8 G 25 11.294 7.104 -7.406 268 H1 G 25 H1 G 25 12.998 4.042 -2.067 269 1H2 G 25 1H2 G 25 14.072 5.475 -0.679 270 2H2 G 25 2H2 G 25 14.253 7.182 -1.036 271 1H5* C 26 1H5* C 26 17.106 9.842 -5.745 272 2H5* C 26 2H5* C 26 18.621 9.326 -6.574 273 H4* C 26 H4* C 26 18.495 8.956 -4.027 274 H3* C 26 H3* C 26 18.304 6.401 -5.702 275 1H2* C 26 1H2* C 26 18.504 5.216 -3.627 276 2HO* C 26 2HO* C 26 18.643 7.839 -2.464 277 H1* C 26 H1* C 26 16.509 6.613 -2.567 278 1H4 C 26 1H4 C 26 13.883 1.737 -5.704 279 2H4 C 26 2H4 C 26 13.571 2.731 -7.122 280 H5 C 26 H5 C 26 14.439 5.047 -7.266 281 H6 C 26 H6 C 26 15.705 6.760 -6.082 282 1H5* C 27 1H5* C 27 20.499 4.758 -3.162 283 2H5* C 27 2H5* C 27 22.213 4.578 -3.677 284 H4* C 27 H4* C 27 21.101 2.563 -2.585 285 H3* C 27 H3* C 27 21.845 2.382 -5.463 286 1H2* C 27 1H2* C 27 20.456 0.985 -5.960 287 2HO* C 27 2HO* C 27 20.424 -1.133 -4.880 288 H1* C 27 H1* C 27 19.626 0.505 -3.095 289 1H4 C 27 1H4 C 27 14.875 -1.993 -6.573 290 2H4 C 27 2H4 C 27 14.630 -0.491 -7.444 291 H5 C 27 H5 C 27 16.078 1.454 -7.119 292 H6 C 27 H6 C 27 17.998 2.322 -5.887 293 H3T C 27 H3T C 27 23.326 0.781 -4.537 294 H1 TOA 28 H1 TOA 28 -2.286 6.256 2.801 295 H2 TOA 28 H2 TOA 28 -0.291 4.870 2.512 296 H3 TOA 28 H3 TOA 28 -2.245 2.603 2.997 297 H4 TOA 28 H4 TOA 28 0.196 3.573 4.545 298 H5 TOA 28 H5 TOA 28 -2.783 3.611 5.242 299 1H6 TOA 28 1H6 TOA 28 -0.353 4.679 6.724 300 2H6 TOA 28 2H6 TOA 28 -2.052 4.934 7.208 301 HO2 TOA 28 HO2 TOA 28 -1.659 5.383 0.717 302 HO4 TOA 28 HO4 TOA 28 -1.767 1.344 5.016 303 HO6 TOA 28 HO6 TOA 28 -2.353 2.644 7.513 304 1HN3 TOA 28 1H3 TOA 28 0.500 2.747 1.968 305 2HN3 TOA 28 2H3 TOA 28 -0.012 1.347 2.813 306 3HN3 TOA 28 3H3 TOA 28 -0.816 1.872 1.402 307 H1 TOB 29 H1 TOB 29 -6.067 4.105 2.624 308 1H2 TOB 29 1H2 TOB 29 -5.623 5.606 0.056 309 2H2 TOB 29 2H2 TOB 29 -7.090 4.556 0.363 310 H3 TOB 29 H3 TOB 29 -7.697 6.068 2.267 311 1H4 TOB 29 H4 TOB 29 -5.385 7.740 1.215 312 H5 TOB 29 H5 TOB 29 -5.668 6.257 3.850 313 H6 TOB 29 H6 TOB 29 -3.828 5.833 1.468 314 1HN1 TOB 29 1H1 TOB 29 -5.592 2.659 0.910 315 2HN1 TOB 29 2H1 TOB 29 -4.370 3.633 0.249 316 3HN1 TOB 29 3H1 TOB 29 -4.140 2.885 1.765 317 1HN3 TOB 29 1H3 TOB 29 -7.217 7.280 -0.370 318 2HN3 TOB 29 2H3 TOB 29 -8.657 6.541 0.183 319 3HN3 TOB 29 3H3 TOB 29 -8.166 8.037 0.824 320 HO5 TOB 29 HO5 TOB 29 -3.468 7.937 2.696 321 H1 TOC 30 H1 TOC 30 -4.872 9.517 2.668 322 H2 TOC 30 H2 TOC 30 -5.645 11.239 4.256 323 1H3 TOC 30 1H3 TOC 30 -8.184 9.700 4.336 324 2H3 TOC 30 2H3 TOC 30 -7.819 11.095 5.372 325 H4 TOC 30 H4 TOC 30 -7.542 12.430 3.333 326 H5 TOC 30 H5 TOC 30 -8.382 9.900 1.848 327 1H6 TOC 30 1H6 TOC 30 -7.604 12.656 0.777 328 2H6 TOC 30 2H6 TOC 30 -7.958 11.205 -0.208 329 1HN2 TOC 30 1H2 TOC 30 -6.170 8.523 5.289 330 2HN2 TOC 30 2H2 TOC 30 -4.649 9.296 5.211 331 3HN2 TOC 30 3H2 TOC 30 -5.868 9.932 6.200 332 1HN6 TOC 30 1H6 TOC 30 -9.799 12.769 -0.046 333 2HN6 TOC 30 2H6 TOC 30 -10.207 11.240 0.569 334 3HN6 TOC 30 3H6 TOC 30 -9.872 12.521 1.634 335 HO4 TOC 30 HO4 TOC 30 -10.063 10.812 3.398 Start of MODEL 4 1 1H5* G 1 1H5* G 1 -6.374 -13.095 2.625 2 2H5* G 1 2H5* G 1 -5.710 -12.740 4.261 3 H4* G 1 H4* G 1 -4.871 -14.859 3.148 4 H3* G 1 H3* G 1 -2.963 -12.604 3.402 5 1H2* G 1 1H2* G 1 -1.729 -13.140 1.887 6 2HO* G 1 2HO* G 1 -0.755 -15.241 1.774 7 H1* G 1 H1* G 1 -3.175 -15.755 1.388 8 H8 G 1 H8 G 1 -4.060 -13.288 -1.130 9 H1 G 1 H1 G 1 1.823 -15.449 -2.436 10 1H2 G 1 1H2 G 1 2.664 -16.535 -0.662 11 2H2 G 1 2H2 G 1 1.748 -16.794 0.811 12 H5T G 1 H5T G 1 -4.902 -10.966 3.602 13 1H5* G 2 1H5* G 2 -0.157 -15.622 4.418 14 2H5* G 2 2H5* G 2 0.607 -15.164 5.985 15 H4* G 2 H4* G 2 2.168 -15.690 4.026 16 H3* G 2 H3* G 2 1.970 -12.762 4.721 17 1H2* G 2 1H2* G 2 2.948 -12.170 3.017 18 2HO* G 2 2HO* G 2 4.857 -13.414 2.164 19 H1* G 2 H1* G 2 3.185 -15.042 2.116 20 H8 G 2 H8 G 2 0.422 -12.827 0.755 21 H1 G 2 H1 G 2 5.671 -12.689 -2.887 22 1H2 G 2 1H2 G 2 7.415 -13.536 -1.743 23 2H2 G 2 2H2 G 2 7.214 -14.367 -0.213 24 1H5* C 3 1H5* C 3 6.547 -13.718 5.145 25 2H5* C 3 2H5* C 3 7.000 -12.672 6.541 26 H4* C 3 H4* C 3 8.557 -12.393 4.604 27 H3* C 3 H3* C 3 6.456 -10.216 4.603 28 1H2* C 3 1H2* C 3 7.623 -9.105 3.036 29 2HO* C 3 2HO* C 3 9.730 -9.150 3.040 30 H1* C 3 H1* C 3 8.384 -11.391 1.762 31 1H4 C 3 1H4 C 3 3.849 -9.249 -2.077 32 2H4 C 3 2H4 C 3 2.583 -9.421 -0.880 33 H5 C 3 H5 C 3 3.075 -10.225 1.406 34 H6 C 3 H6 C 3 4.870 -10.932 2.913 35 1H5* A 4 1H5* A 4 10.441 -8.315 4.831 36 2H5* A 4 2H5* A 4 10.197 -6.855 5.857 37 H4* A 4 H4* A 4 11.462 -6.376 3.774 38 H3* A 4 H3* A 4 8.552 -5.559 3.466 39 1H2* A 4 1H2* A 4 9.307 -4.459 1.471 40 2HO* A 4 2HO* A 4 11.221 -3.766 1.448 41 H1* A 4 H1* A 4 10.535 -6.387 0.591 42 H8 A 4 H8 A 4 7.493 -7.257 2.682 43 1H6 A 4 1H6 A 4 4.172 -6.880 -2.482 44 2H6 A 4 2H6 A 4 4.176 -7.263 -0.779 45 H2 A 4 H2 A 4 8.411 -5.599 -3.427 46 1H5* C 5 1H5* C 5 11.271 -2.241 2.880 47 2H5* C 5 2H5* C 5 10.567 -0.693 3.476 48 H4* C 5 H4* C 5 11.408 -0.740 1.098 49 H3* C 5 H3* C 5 8.422 -0.669 1.275 50 1H2* C 5 1H2* C 5 8.258 -0.349 -0.956 51 2HO* C 5 2HO* C 5 10.188 0.988 -1.165 52 H1* C 5 H1* C 5 9.779 -2.472 -1.430 53 1H4 C 5 1H4 C 5 3.933 -4.761 -0.365 54 2H4 C 5 2H4 C 5 4.274 -4.874 1.352 55 H5 C 5 H5 C 5 6.329 -3.878 2.342 56 H6 C 5 H6 C 5 8.462 -2.683 1.713 57 1H5* G 6 1H5* G 6 6.717 4.309 1.951 58 2H5* G 6 2H5* G 6 6.479 2.562 2.266 59 H4* G 6 H4* G 6 7.499 3.961 -0.292 60 H3* G 6 H3* G 6 4.851 2.687 0.427 61 1H2* G 6 1H2* G 6 4.453 2.361 -1.886 62 2HO* G 6 2HO* G 6 5.771 4.292 -2.494 63 H1* G 6 H1* G 6 6.702 0.988 -2.047 64 H8 G 6 H8 G 6 6.599 0.171 1.427 65 H1 G 6 H1 G 6 1.477 -2.489 -1.299 66 1H2 G 6 1H2 G 6 1.094 -1.601 -3.298 67 2H2 G 6 2H2 G 6 2.110 -0.360 -3.997 68 1H5* A 7 1H5* A 7 3.184 5.428 -2.003 69 2H5* A 7 2H5* A 7 1.781 6.327 -1.326 70 H4* A 7 H4* A 7 1.372 4.717 -3.303 71 H3* A 7 H3* A 7 0.358 3.683 -0.678 72 1H2* A 7 1H2* A 7 -0.937 2.114 -1.986 73 2HO* A 7 2HO* A 7 -1.065 3.559 -3.900 74 H1* A 7 H1* A 7 1.291 1.279 -2.936 75 H8 A 7 H8 A 7 2.759 2.490 0.245 76 1H6 A 7 1H6 A 7 -0.331 -1.954 3.299 77 2H6 A 7 2H6 A 7 1.021 -0.843 3.389 78 H2 A 7 H2 A 7 -1.948 -1.739 -0.842 79 1H5* G 8 1H5* G 8 -4.429 4.952 -3.664 80 2H5* G 8 2H5* G 8 -3.582 4.080 -2.342 81 H4* G 8 H4* G 8 -4.038 3.196 -5.271 82 H3* G 8 H3* G 8 -5.373 2.294 -2.692 83 1H2* G 8 1H2* G 8 -5.813 0.220 -3.769 84 2HO* G 8 2HO* G 8 -4.857 -0.030 -5.908 85 H1* G 8 H1* G 8 -3.197 -0.103 -4.099 86 H8 G 8 H8 G 8 -2.749 2.384 -1.456 87 H1 G 8 H1 G 8 -5.444 -2.817 1.040 88 1H2 G 8 1H2 G 8 -6.193 -4.167 -0.642 89 2H2 G 8 2H2 G 8 -6.026 -3.723 -2.328 90 1H5* G 9 1H5* G 9 -9.236 1.674 -3.746 91 2H5* G 9 2H5* G 9 -10.182 3.091 -3.177 92 H4* G 9 H4* G 9 -10.880 0.797 -2.343 93 H3* G 9 H3* G 9 -9.612 2.450 -0.128 94 1H2* G 9 1H2* G 9 -10.564 0.760 1.306 95 2HO* G 9 2HO* G 9 -11.663 -0.982 0.270 96 H1* G 9 H1* G 9 -9.374 -1.153 -0.107 97 H8 G 9 H8 G 9 -6.886 1.501 -0.690 98 H1 G 9 H1 G 9 -7.015 -0.198 5.463 99 1H2 G 9 1H2 G 9 -8.911 -1.349 5.901 100 2H2 G 9 2H2 G 9 -9.966 -1.911 4.624 101 1H5* U 10 1H5* U 10 -12.785 0.900 1.353 102 2H5* U 10 2H5* U 10 -14.092 1.962 1.942 103 H4* U 10 H4* U 10 -13.266 -0.122 3.314 104 H3* U 10 H3* U 10 -14.220 2.089 4.546 105 1H2* U 10 1H2* U 10 -12.088 3.111 4.077 106 2HO* U 10 2HO* U 10 -12.241 2.393 6.850 107 H1* U 10 H1* U 10 -11.047 0.742 5.679 108 H3 U 10 H3 U 10 -7.045 2.666 6.379 109 H5 U 10 H5 U 10 -8.146 4.092 2.547 110 H6 U 10 H6 U 10 -10.163 2.877 2.759 111 1H5* U 11 1H5* U 11 -13.623 2.618 9.547 112 2H5* U 11 2H5* U 11 -12.977 3.286 8.016 113 H4* U 11 H4* U 11 -11.505 2.178 10.491 114 H3* U 11 H3* U 11 -11.661 4.916 9.198 115 1H2* U 11 1H2* U 11 -9.669 5.443 10.389 116 2HO* U 11 2HO* U 11 -9.246 4.428 12.111 117 H1* U 11 H1* U 11 -8.520 3.236 9.670 118 H3 U 11 H3 U 11 -6.383 6.076 6.993 119 H5 U 11 H5 U 11 -10.249 5.982 5.306 120 H6 U 11 H6 U 11 -10.942 4.582 7.143 121 1H5* U 12 1H5* U 12 -10.569 5.050 13.452 122 2H5* U 12 2H5* U 12 -11.417 6.476 14.160 123 H4* U 12 H4* U 12 -8.922 6.350 14.631 124 H3* U 12 H3* U 12 -9.556 8.347 12.490 125 1H2* U 12 1H2* U 12 -7.434 9.242 12.920 126 2HO* U 12 2HO* U 12 -6.182 8.446 14.533 127 H1* U 12 H1* U 12 -6.409 6.795 12.568 128 H3 U 12 H3 U 12 -5.553 8.967 8.662 129 H5 U 12 H5 U 12 -9.685 8.196 8.484 130 H6 U 12 H6 U 12 -9.542 7.398 10.769 131 1H5* A 13 1H5* A 13 -11.404 12.532 12.987 132 2H5* A 13 2H5* A 13 -11.491 11.580 11.458 133 H4* A 13 H4* A 13 -10.128 13.790 11.505 134 H3* A 13 H3* A 13 -9.220 11.602 10.171 135 1H2* A 13 1H2* A 13 -8.500 10.753 12.233 136 2HO* A 13 2HO* A 13 -6.274 11.669 10.678 137 H1* A 13 H1* A 13 -6.950 13.361 12.501 138 H8 A 13 H8 A 13 -8.732 10.769 14.902 139 1H6 A 13 1H6 A 13 -3.500 11.007 18.175 140 2H6 A 13 2H6 A 13 -5.110 10.326 18.070 141 H2 A 13 H2 A 13 -2.967 13.587 14.549 142 1H5* G 14 1H5* G 14 -5.482 12.943 11.299 143 2H5* G 14 2H5* G 14 -4.738 14.553 11.107 144 H4* G 14 H4* G 14 -2.866 13.394 9.957 145 H3* G 14 H3* G 14 -4.497 10.884 10.438 146 1H2* G 14 1H2* G 14 -2.467 9.691 10.364 147 2HO* G 14 2HO* G 14 -0.713 10.621 9.567 148 H1* G 14 H1* G 14 -1.376 11.456 12.094 149 H8 G 14 H8 G 14 -5.198 10.316 12.366 150 H1 G 14 H1 G 14 -1.298 8.116 16.930 151 1H2 G 14 1H2 G 14 0.795 8.820 16.572 152 2H2 G 14 2H2 G 14 1.214 9.805 15.189 153 1H5* C 15 1H5* C 15 -0.856 10.762 5.571 154 2H5* C 15 2H5* C 15 -2.578 10.335 5.851 155 H4* C 15 H4* C 15 -1.777 9.531 8.084 156 H3* C 15 H3* C 15 0.542 10.851 7.850 157 1H2* C 15 1H2* C 15 1.166 9.861 5.916 158 2HO* C 15 2HO* C 15 2.751 8.118 6.419 159 H1* C 15 H1* C 15 0.316 7.070 6.884 160 1H4 C 15 1H4 C 15 1.361 6.196 0.574 161 2H4 C 15 2H4 C 15 0.031 7.290 0.289 162 H5 C 15 H5 C 15 -1.229 8.360 2.095 163 H6 C 15 H6 C 15 -1.207 8.684 4.622 164 1H5* U 16 1H5* U 16 1.878 6.873 11.698 165 2H5* U 16 2H5* U 16 0.515 7.124 10.560 166 H4* U 16 H4* U 16 0.557 7.139 13.648 167 H3* U 16 H3* U 16 -0.565 5.236 11.579 168 1H2* U 16 1H2* U 16 -2.212 4.581 13.226 169 2HO* U 16 2HO* U 16 -1.166 6.680 14.787 170 H1* U 16 H1* U 16 -3.012 6.965 13.472 171 H3 U 16 H3 U 16 -5.419 5.035 9.919 172 H5 U 16 H5 U 16 -2.488 7.501 8.240 173 H6 U 16 H6 U 16 -1.472 7.711 10.367 174 1H5* A 17 1H5* A 17 -0.552 0.280 14.461 175 2H5* A 17 2H5* A 17 -0.508 0.647 12.702 176 H4* A 17 H4* A 17 -2.305 1.816 14.909 177 H3* A 17 H3* A 17 -2.832 -0.670 13.646 178 1H2* A 17 1H2* A 17 -2.704 0.299 11.649 179 2HO* A 17 2HO* A 17 -5.166 -0.470 12.583 180 H1* A 17 H1* A 17 -4.600 2.438 12.659 181 H8 A 17 H8 A 17 -1.627 3.641 10.727 182 1H6 A 17 1H6 A 17 -4.983 2.925 5.552 183 2H6 A 17 2H6 A 17 -3.628 3.767 6.262 184 H2 A 17 H2 A 17 -7.193 1.060 9.073 185 1H5* C 18 1H5* C 18 -7.493 -0.007 13.635 186 2H5* C 18 2H5* C 18 -7.891 -1.519 14.527 187 H4* C 18 H4* C 18 -8.889 -1.256 12.211 188 H3* C 18 H3* C 18 -7.023 -3.425 12.794 189 1H2* C 18 1H2* C 18 -5.801 -3.107 11.167 190 2HO* C 18 2HO* C 18 -8.065 -4.263 9.819 191 H1* C 18 H1* C 18 -8.163 -1.881 9.813 192 1H4 C 18 1H4 C 18 -4.110 -0.266 5.106 193 2H4 C 18 2H4 C 18 -2.794 -0.063 6.229 194 H5 C 18 H5 C 18 -2.956 -0.654 8.590 195 H6 C 18 H6 C 18 -4.499 -1.317 10.366 196 1H5* A 19 1H5* A 19 -9.184 -2.764 8.388 197 2H5* A 19 2H5* A 19 -10.893 -3.272 8.255 198 H4* A 19 H4* A 19 -9.312 -3.766 6.399 199 H3* A 19 H3* A 19 -10.945 -5.818 7.606 200 1H2* A 19 1H2* A 19 -9.168 -7.028 8.199 201 2HO* A 19 2HO* A 19 -9.087 -7.815 5.424 202 H1* A 19 H1* A 19 -7.845 -6.023 5.677 203 H8 A 19 H8 A 19 -6.347 -6.356 9.273 204 1H6 A 19 1H6 A 19 -2.737 -10.697 6.695 205 2H6 A 19 2H6 A 19 -2.941 -9.690 8.124 206 H2 A 19 H2 A 19 -5.689 -9.379 3.644 207 1H5* C 20 1H5* C 20 -12.887 -4.788 2.172 208 2H5* C 20 2H5* C 20 -13.422 -6.477 2.425 209 H4* C 20 H4* C 20 -11.470 -6.278 0.984 210 H3* C 20 H3* C 20 -11.214 -7.823 3.348 211 1H2* C 20 1H2* C 20 -9.784 -6.283 4.143 212 2HO* C 20 2HO* C 20 -8.118 -8.118 2.681 213 H1* C 20 H1* C 20 -8.734 -6.085 1.299 214 1H4 C 20 1H4 C 20 -4.295 -2.170 3.767 215 2H4 C 20 2H4 C 20 -5.275 -1.893 5.194 216 H5 C 20 H5 C 20 -7.338 -3.004 5.613 217 H6 C 20 H6 C 20 -9.071 -4.440 4.613 218 1H5* U 21 1H5* U 21 -8.306 -7.830 -0.128 219 2H5* U 21 2H5* U 21 -7.912 -9.461 -0.757 220 H4* U 21 H4* U 21 -6.352 -7.479 -1.074 221 H3* U 21 H3* U 21 -5.183 -9.741 0.578 222 1H2* U 21 1H2* U 21 -3.616 -8.508 1.245 223 2HO* U 21 2HO* U 21 -3.282 -7.807 -1.492 224 H1* U 21 H1* U 21 -4.696 -6.330 -0.564 225 H3 U 21 H3 U 21 -1.987 -3.268 1.303 226 H5 U 21 H5 U 21 -3.358 -5.415 4.668 227 H6 U 21 H6 U 21 -4.536 -6.895 3.167 228 1H5* C 22 1H5* C 22 -5.818 -6.139 -2.416 229 2H5* C 22 2H5* C 22 -6.114 -6.838 -4.032 230 H4* C 22 H4* C 22 -5.467 -4.422 -3.886 231 H3* C 22 H3* C 22 -4.316 -6.129 -5.676 232 1H2* C 22 1H2* C 22 -2.467 -6.457 -4.369 233 2HO* C 22 2HO* C 22 -1.856 -4.239 -6.086 234 H1* C 22 H1* C 22 -2.369 -3.481 -3.887 235 1H4 C 22 1H4 C 22 2.058 -4.678 0.505 236 2H4 C 22 2H4 C 22 1.656 -6.384 0.598 237 H5 C 22 H5 C 22 -0.208 -7.348 -0.658 238 H6 C 22 H6 C 22 -1.927 -6.888 -2.326 239 1H5* G 23 1H5* G 23 -2.234 -0.916 -7.841 240 2H5* G 23 2H5* G 23 -2.807 -2.461 -8.559 241 H4* G 23 H4* G 23 -0.519 -1.479 -9.274 242 H3* G 23 H3* G 23 -0.268 -4.156 -7.760 243 1H2* G 23 1H2* G 23 1.855 -4.077 -8.407 244 2HO* G 23 2HO* G 23 2.699 -2.754 -9.742 245 H1* G 23 H1* G 23 2.365 -1.870 -7.595 246 H8 G 23 H8 G 23 -0.256 -4.143 -5.817 247 H1 G 23 H1 G 23 5.196 -3.337 -2.643 248 1H2 G 23 1H2 G 23 6.571 -2.012 -3.840 249 2H2 G 23 2H2 G 23 6.073 -1.203 -5.317 250 1H5* U 24 1H5* U 24 2.353 -3.749 -11.206 251 2H5* U 24 2H5* U 24 2.576 -5.356 -11.973 252 H4* U 24 H4* U 24 4.686 -4.047 -11.479 253 H3* U 24 H3* U 24 4.374 -6.391 -9.567 254 1H2* U 24 1H2* U 24 6.712 -5.942 -9.022 255 2HO* U 24 2HO* U 24 6.359 -3.702 -10.773 256 H1* U 24 H1* U 24 6.049 -3.456 -8.373 257 H3 U 24 H3 U 24 5.710 -5.914 -4.401 258 H5 U 24 H5 U 24 2.034 -6.453 -6.404 259 H6 U 24 H6 U 24 2.999 -5.329 -8.280 260 1H5* G 25 1H5* G 25 8.217 -6.855 -11.147 261 2H5* G 25 2H5* G 25 8.422 -8.550 -11.724 262 H4* G 25 H4* G 25 10.249 -7.645 -10.206 263 H3* G 25 H3* G 25 8.428 -9.651 -8.826 264 1H2* G 25 1H2* G 25 10.065 -9.657 -7.050 265 2HO* G 25 2HO* G 25 11.376 -7.685 -8.675 266 H1* G 25 H1* G 25 9.830 -7.023 -6.837 267 H8 G 25 H8 G 25 6.454 -7.893 -8.312 268 H1 G 25 H1 G 25 6.790 -9.293 -2.090 269 1H2 G 25 1H2 G 25 8.938 -9.280 -1.415 270 2H2 G 25 2H2 G 25 10.256 -8.756 -2.448 271 1H5* C 26 1H5* C 26 12.118 -11.385 -7.969 272 2H5* C 26 2H5* C 26 12.112 -13.115 -8.480 273 H4* C 26 H4* C 26 12.703 -12.624 -6.016 274 H3* C 26 H3* C 26 9.973 -13.913 -6.500 275 1H2* C 26 1H2* C 26 9.710 -14.063 -4.141 276 2HO* C 26 2HO* C 26 12.318 -12.867 -4.045 277 H1* C 26 H1* C 26 10.281 -11.492 -3.810 278 1H4 C 26 1H4 C 26 4.057 -11.690 -5.147 279 2H4 C 26 2H4 C 26 4.353 -11.343 -6.846 280 H5 C 26 H5 C 26 6.647 -11.244 -7.750 281 H6 C 26 H6 C 26 9.005 -11.468 -7.180 282 1H5* C 27 1H5* C 27 10.620 -15.886 -3.370 283 2H5* C 27 2H5* C 27 11.042 -17.620 -3.611 284 H4* C 27 H4* C 27 9.210 -17.044 -1.881 285 H3* C 27 H3* C 27 8.476 -18.529 -4.358 286 1H2* C 27 1H2* C 27 6.537 -17.975 -4.436 287 2HO* C 27 2HO* C 27 5.058 -18.375 -2.620 288 H1* C 27 H1* C 27 6.589 -16.558 -1.759 289 1H4 C 27 1H4 C 27 1.667 -13.988 -4.962 290 2H4 C 27 2H4 C 27 2.688 -13.590 -6.335 291 H5 C 27 H5 C 27 5.039 -14.205 -6.417 292 H6 C 27 H6 C 27 6.844 -15.328 -5.234 293 H3T C 27 H3T C 27 8.085 -20.234 -2.792 294 H1 TOA 28 H1 TOA 28 -2.508 5.740 1.074 295 H2 TOA 28 H2 TOA 28 -0.542 4.277 1.751 296 H3 TOA 28 H3 TOA 28 -2.769 2.534 2.841 297 H4 TOA 28 H4 TOA 28 -0.552 4.077 4.233 298 H5 TOA 28 H5 TOA 28 -3.584 4.424 4.221 299 1H6 TOA 28 1H6 TOA 28 -2.580 5.083 6.413 300 2H6 TOA 28 2H6 TOA 28 -1.396 6.064 5.532 301 HO2 TOA 28 HO2 TOA 28 -1.691 3.887 -0.321 302 HO4 TOA 28 HO4 TOA 28 -1.683 3.264 6.280 303 HO6 TOA 28 HO6 TOA 28 -3.153 7.419 6.329 304 1HN3 TOA 28 1H3 TOA 28 0.144 2.079 2.589 305 2HN3 TOA 28 2H3 TOA 28 -0.825 1.223 3.698 306 3HN3 TOA 28 3H3 TOA 28 -1.129 1.131 2.035 307 H1 TOB 29 H1 TOB 29 -6.424 4.022 1.557 308 1H2 TOB 29 1H2 TOB 29 -6.501 6.013 -0.696 309 2H2 TOB 29 2H2 TOB 29 -7.881 4.879 -0.272 310 H3 TOB 29 H3 TOB 29 -7.958 5.977 1.996 311 1H4 TOB 29 H4 TOB 29 -5.954 7.881 0.695 312 H5 TOB 29 H5 TOB 29 -5.654 5.974 3.071 313 H6 TOB 29 H6 TOB 29 -4.394 5.924 0.329 314 1HN1 TOB 29 1H1 TOB 29 -5.080 2.784 0.117 315 2HN1 TOB 29 2H1 TOB 29 -6.328 3.319 -0.897 316 3HN1 TOB 29 3H1 TOB 29 -4.827 4.075 -0.926 317 1HN3 TOB 29 1H3 TOB 29 -8.415 7.647 -0.383 318 2HN3 TOB 29 2H3 TOB 29 -9.459 6.586 0.460 319 3HN3 TOB 29 3H3 TOB 29 -8.948 8.027 1.194 320 HO5 TOB 29 HO5 TOB 29 -3.389 6.745 3.097 321 H1 TOC 30 H1 TOC 30 -4.989 9.312 2.456 322 H2 TOC 30 H2 TOC 30 -5.577 10.976 4.153 323 1H3 TOC 30 1H3 TOC 30 -8.220 9.625 4.266 324 2H3 TOC 30 2H3 TOC 30 -7.711 10.941 5.345 325 H4 TOC 30 H4 TOC 30 -7.419 12.343 3.351 326 H5 TOC 30 H5 TOC 30 -8.509 9.943 1.816 327 1H6 TOC 30 1H6 TOC 30 -7.578 12.674 0.806 328 2H6 TOC 30 2H6 TOC 30 -8.090 11.295 -0.212 329 1HN2 TOC 30 1H2 TOC 30 -6.396 8.319 5.109 330 2HN2 TOC 30 2H2 TOC 30 -4.774 8.727 4.926 331 3HN2 TOC 30 3H2 TOC 30 -5.726 9.575 6.035 332 1HN6 TOC 30 1H6 TOC 30 -10.296 11.486 0.678 333 2HN6 TOC 30 2H6 TOC 30 -9.800 12.686 1.776 334 3HN6 TOC 30 3H6 TOC 30 -9.789 12.998 0.103 335 HO4 TOC 30 HO4 TOC 30 -10.051 10.917 3.451 Start of MODEL 5 1 1H5* G 1 1H5* G 1 -5.602 -14.907 8.023 2 2H5* G 1 2H5* G 1 -4.798 -13.685 9.067 3 H4* G 1 H4* G 1 -3.297 -15.238 7.831 4 H3* G 1 H3* G 1 -3.172 -12.414 6.924 5 1H2* G 1 1H2* G 1 -2.682 -12.912 4.989 6 2HO* G 1 2HO* G 1 -0.641 -14.358 4.759 7 H1* G 1 H1* G 1 -2.157 -15.779 5.768 8 H8 G 1 H8 G 1 -4.860 -14.671 3.255 9 H1 G 1 H1 G 1 0.660 -16.422 0.509 10 1H2 G 1 1H2 G 1 2.236 -16.723 2.093 11 2H2 G 1 2H2 G 1 1.921 -16.430 3.793 12 H5T G 1 H5T G 1 -5.171 -12.139 7.346 13 1H5* G 2 1H5* G 2 0.930 -14.283 7.175 14 2H5* G 2 2H5* G 2 2.023 -13.228 8.137 15 H4* G 2 H4* G 2 3.000 -14.302 6.061 16 H3* G 2 H3* G 2 2.496 -11.348 5.765 17 1H2* G 2 1H2* G 2 2.819 -11.379 3.729 18 2HO* G 2 2HO* G 2 5.184 -11.597 4.165 19 H1* G 2 H1* G 2 3.308 -14.365 3.805 20 H8 G 2 H8 G 2 -0.071 -12.921 2.774 21 H1 G 2 H1 G 2 3.835 -13.894 -2.202 22 1H2 G 2 1H2 G 2 5.934 -14.262 -1.450 23 2H2 G 2 2H2 G 2 6.300 -14.423 0.256 24 1H5* C 3 1H5* C 3 7.095 -12.145 5.042 25 2H5* C 3 2H5* C 3 7.865 -10.682 5.757 26 H4* C 3 H4* C 3 8.793 -11.258 3.503 27 H3* C 3 H3* C 3 6.707 -9.069 3.288 28 1H2* C 3 1H2* C 3 7.342 -8.707 1.157 29 2HO* C 3 2HO* C 3 9.379 -8.873 0.623 30 H1* C 3 H1* C 3 7.852 -11.353 0.689 31 1H4 C 3 1H4 C 3 2.452 -10.369 -2.506 32 2H4 C 3 2H4 C 3 1.513 -10.179 -1.040 33 H5 C 3 H5 C 3 2.553 -10.237 1.189 34 H6 C 3 H6 C 3 4.674 -10.459 2.381 35 1H5* A 4 1H5* A 4 10.582 -7.548 1.735 36 2H5* A 4 2H5* A 4 10.616 -5.804 2.186 37 H4* A 4 H4* A 4 11.229 -6.213 -0.192 38 H3* A 4 H3* A 4 8.347 -5.272 0.040 39 1H2* A 4 1H2* A 4 8.449 -5.041 -2.344 40 2HO* A 4 2HO* A 4 10.236 -4.564 -3.174 41 H1* A 4 H1* A 4 9.471 -7.231 -2.765 42 H8 A 4 H8 A 4 7.077 -7.123 0.176 43 1H6 A 4 1H6 A 4 2.590 -8.303 -3.888 44 2H6 A 4 2H6 A 4 2.983 -8.100 -2.194 45 H2 A 4 H2 A 4 6.424 -7.714 -6.158 46 1H5* C 5 1H5* C 5 10.633 -2.761 -2.523 47 2H5* C 5 2H5* C 5 10.190 -1.026 -2.341 48 H4* C 5 H4* C 5 10.158 -1.990 -4.659 49 H3* C 5 H3* C 5 7.414 -1.412 -3.588 50 1H2* C 5 1H2* C 5 6.456 -1.952 -5.555 51 2HO* C 5 2HO* C 5 8.139 -1.076 -6.957 52 H1* C 5 H1* C 5 7.738 -4.210 -5.722 53 1H4 C 5 1H4 C 5 2.740 -5.600 -2.039 54 2H4 C 5 2H4 C 5 3.632 -5.123 -0.606 55 H5 C 5 H5 C 5 5.886 -4.029 -0.767 56 H6 C 5 H6 C 5 7.616 -3.261 -2.462 57 1H5* G 6 1H5* G 6 6.210 2.693 -2.597 58 2H5* G 6 2H5* G 6 5.683 1.068 -2.052 59 H4* G 6 H4* G 6 6.162 2.087 -4.933 60 H3* G 6 H3* G 6 3.723 1.298 -3.368 61 1H2* G 6 1H2* G 6 2.591 0.881 -5.434 62 2HO* G 6 2HO* G 6 3.929 2.545 -6.555 63 H1* G 6 H1* G 6 4.494 -0.844 -6.036 64 H8 G 6 H8 G 6 5.228 -1.223 -2.541 65 H1 G 6 H1 G 6 -0.626 -3.547 -3.637 66 1H2 G 6 1H2 G 6 -1.381 -2.842 -5.634 67 2H2 G 6 2H2 G 6 -0.415 -1.856 -6.712 68 1H5* A 7 1H5* A 7 0.465 5.790 -3.297 69 2H5* A 7 2H5* A 7 0.950 4.432 -2.231 70 H4* A 7 H4* A 7 0.492 4.456 -5.291 71 H3* A 7 H3* A 7 -1.038 3.351 -2.939 72 1H2* A 7 1H2* A 7 -2.024 1.751 -4.480 73 2HO* A 7 2HO* A 7 -1.898 3.424 -6.214 74 H1* A 7 H1* A 7 0.382 1.059 -5.397 75 H8 A 7 H8 A 7 2.087 1.292 -2.421 76 1H6 A 7 1H6 A 7 -1.419 -2.847 0.507 77 2H6 A 7 2H6 A 7 0.133 -2.041 0.453 78 H2 A 7 H2 A 7 -3.604 -1.554 -3.215 79 1H5* G 8 1H5* G 8 -4.042 3.821 -5.778 80 2H5* G 8 2H5* G 8 -5.605 4.706 -5.811 81 H4* G 8 H4* G 8 -5.751 2.285 -5.103 82 H3* G 8 H3* G 8 -5.989 4.248 -2.825 83 1H2* G 8 1H2* G 8 -6.158 2.728 -1.401 84 2HO* G 8 2HO* G 8 -8.250 1.951 -2.438 85 H1* G 8 H1* G 8 -5.344 0.580 -3.325 86 H8 G 8 H8 G 8 -2.408 2.279 -2.174 87 H1 G 8 H1 G 8 -4.239 -1.582 2.550 88 1H2 G 8 1H2 G 8 -6.345 -2.122 2.339 89 2H2 G 8 2H2 G 8 -7.220 -2.021 0.837 90 1H5* G 9 1H5* G 9 -11.297 3.629 -1.360 91 2H5* G 9 2H5* G 9 -9.698 3.276 -0.616 92 H4* G 9 H4* G 9 -11.782 1.278 -1.777 93 H3* G 9 H3* G 9 -10.878 2.049 0.988 94 1H2* G 9 1H2* G 9 -11.196 -0.151 1.753 95 2HO* G 9 2HO* G 9 -11.609 -1.354 -0.596 96 H1* G 9 H1* G 9 -9.666 -1.085 -0.203 97 H8 G 9 H8 G 9 -7.820 1.802 -0.603 98 H1 G 9 H1 G 9 -6.818 -0.051 5.397 99 1H2 G 9 1H2 G 9 -8.389 -1.590 6.014 100 2H2 G 9 2H2 G 9 -9.734 -1.996 4.970 101 1H5* U 10 1H5* U 10 -13.522 4.611 3.333 102 2H5* U 10 2H5* U 10 -11.726 4.603 3.309 103 H4* U 10 H4* U 10 -13.682 2.214 3.330 104 H3* U 10 H3* U 10 -11.855 3.437 5.413 105 1H2* U 10 1H2* U 10 -11.496 1.280 6.365 106 2HO* U 10 2HO* U 10 -13.029 0.342 4.154 107 H1* U 10 H1* U 10 -10.656 0.338 4.070 108 H3 U 10 H3 U 10 -7.297 2.817 6.606 109 H5 U 10 H5 U 10 -7.795 4.456 2.769 110 H6 U 10 H6 U 10 -9.824 3.089 2.571 111 1H5* U 11 1H5* U 11 -12.068 0.342 9.096 112 2H5* U 11 2H5* U 11 -13.421 1.206 9.886 113 H4* U 11 H4* U 11 -10.935 1.616 10.592 114 H3* U 11 H3* U 11 -12.276 4.112 9.462 115 1H2* U 11 1H2* U 11 -10.356 5.230 10.411 116 2HO* U 11 2HO* U 11 -10.403 4.044 12.306 117 H1* U 11 H1* U 11 -8.705 3.227 9.568 118 H3 U 11 H3 U 11 -7.115 6.330 6.740 119 H5 U 11 H5 U 11 -11.165 6.038 5.591 120 H6 U 11 H6 U 11 -11.502 4.487 7.407 121 1H5* U 12 1H5* U 12 -11.981 7.142 13.757 122 2H5* U 12 2H5* U 12 -11.616 6.936 12.010 123 H4* U 12 H4* U 12 -9.737 6.571 14.442 124 H3* U 12 H3* U 12 -9.947 8.604 12.241 125 1H2* U 12 1H2* U 12 -7.827 9.226 12.633 126 2HO* U 12 2HO* U 12 -6.627 8.491 14.314 127 H1* U 12 H1* U 12 -7.024 6.656 12.422 128 H3 U 12 H3 U 12 -5.984 9.059 8.639 129 H5 U 12 H5 U 12 -10.105 8.212 8.297 130 H6 U 12 H6 U 12 -10.006 7.331 10.571 131 1H5* A 13 1H5* A 13 -11.467 12.990 12.594 132 2H5* A 13 2H5* A 13 -11.702 11.903 11.176 133 H4* A 13 H4* A 13 -10.191 14.022 10.967 134 H3* A 13 H3* A 13 -9.493 11.751 9.671 135 1H2* A 13 1H2* A 13 -8.834 10.915 11.830 136 2HO* A 13 2HO* A 13 -6.617 11.426 10.079 137 H1* A 13 H1* A 13 -6.963 13.311 11.831 138 H8 A 13 H8 A 13 -8.863 10.911 14.349 139 1H6 A 13 1H6 A 13 -5.445 10.834 17.758 140 2H6 A 13 2H6 A 13 -3.882 11.607 17.930 141 H2 A 13 H2 A 13 -3.216 13.973 14.183 142 1H5* G 14 1H5* G 14 -5.456 12.276 10.902 143 2H5* G 14 2H5* G 14 -5.218 13.918 10.234 144 H4* G 14 H4* G 14 -3.000 13.147 9.497 145 H3* G 14 H3* G 14 -4.067 10.387 10.208 146 1H2* G 14 1H2* G 14 -1.944 9.698 10.805 147 2HO* G 14 2HO* G 14 -0.795 11.041 9.191 148 H1* G 14 H1* G 14 -1.567 11.788 12.369 149 H8 G 14 H8 G 14 -5.275 10.400 11.967 150 H1 G 14 H1 G 14 -2.069 8.402 17.134 151 1H2 G 14 1H2 G 14 0.021 9.196 17.095 152 2H2 G 14 2H2 G 14 0.609 10.189 15.782 153 1H5* C 15 1H5* C 15 0.082 9.102 6.232 154 2H5* C 15 2H5* C 15 -1.676 8.950 6.455 155 H4* C 15 H4* C 15 -1.007 8.218 8.838 156 H3* C 15 H3* C 15 1.711 8.563 7.654 157 1H2* C 15 1H2* C 15 2.508 6.726 8.504 158 2HO* C 15 2HO* C 15 1.252 7.006 10.709 159 H1* C 15 H1* C 15 0.353 5.170 7.942 160 1H4 C 15 1H4 C 15 4.953 5.076 3.371 161 2H4 C 15 2H4 C 15 3.912 6.164 2.484 162 H5 C 15 H5 C 15 1.804 7.145 3.514 163 H6 C 15 H6 C 15 0.498 7.165 5.584 164 1H5* U 16 1H5* U 16 -0.447 8.454 11.212 165 2H5* U 16 2H5* U 16 -0.054 9.388 12.695 166 H4* U 16 H4* U 16 -0.403 7.262 13.952 167 H3* U 16 H3* U 16 -0.723 6.011 11.189 168 1H2* U 16 1H2* U 16 -2.165 4.470 12.183 169 2HO* U 16 2HO* U 16 -1.083 4.202 14.100 170 H1* U 16 H1* U 16 -3.651 6.333 13.338 171 H3 U 16 H3 U 16 -5.825 4.996 9.457 172 H5 U 16 H5 U 16 -3.013 7.820 8.187 173 H6 U 16 H6 U 16 -2.090 7.807 10.421 174 1H5* A 17 1H5* A 17 -0.088 0.747 13.799 175 2H5* A 17 2H5* A 17 -0.493 1.326 12.143 176 H4* A 17 H4* A 17 -2.055 1.764 14.774 177 H3* A 17 H3* A 17 -2.417 -0.705 13.412 178 1H2* A 17 1H2* A 17 -2.308 0.413 11.499 179 2HO* A 17 2HO* A 17 -5.022 -0.293 12.139 180 H1* A 17 H1* A 17 -4.630 2.076 12.413 181 H8 A 17 H8 A 17 -1.518 3.518 10.555 182 1H6 A 17 1H6 A 17 -4.959 2.861 5.524 183 2H6 A 17 2H6 A 17 -3.648 3.763 6.262 184 H2 A 17 H2 A 17 -7.134 0.973 9.143 185 1H5* C 18 1H5* C 18 -8.220 -0.527 12.608 186 2H5* C 18 2H5* C 18 -7.768 -1.726 13.861 187 H4* C 18 H4* C 18 -8.230 -2.564 11.480 188 H3* C 18 H3* C 18 -5.684 -3.049 12.792 189 1H2* C 18 1H2* C 18 -4.533 -2.183 11.305 190 2HO* C 18 2HO* C 18 -5.150 -4.683 10.011 191 H1* C 18 H1* C 18 -6.682 -3.009 9.399 192 1H4 C 18 1H4 C 18 -4.146 0.710 4.844 193 2H4 C 18 2H4 C 18 -2.582 0.628 5.617 194 H5 C 18 H5 C 18 -2.348 -0.100 7.951 195 H6 C 18 H6 C 18 -3.462 -1.261 9.779 196 1H5* A 19 1H5* A 19 -6.133 -7.978 9.896 197 2H5* A 19 2H5* A 19 -5.166 -6.931 11.005 198 H4* A 19 H4* A 19 -4.942 -7.259 7.951 199 H3* A 19 H3* A 19 -3.894 -9.226 9.394 200 1H2* A 19 1H2* A 19 -2.724 -7.652 10.719 201 2HO* A 19 2HO* A 19 -1.275 -9.189 9.027 202 H1* A 19 H1* A 19 -1.842 -6.337 8.074 203 H8 A 19 H8 A 19 -1.843 -6.064 11.890 204 1H6 A 19 1H6 A 19 -0.121 -1.572 12.294 205 2H6 A 19 2H6 A 19 0.153 -0.262 11.168 206 H2 A 19 H2 A 19 -0.951 -1.899 7.107 207 1H5* C 20 1H5* C 20 -6.619 -8.018 4.827 208 2H5* C 20 2H5* C 20 -4.998 -7.236 4.883 209 H4* C 20 H4* C 20 -7.380 -6.741 6.798 210 H3* C 20 H3* C 20 -6.523 -5.137 4.350 211 1H2* C 20 1H2* C 20 -7.296 -3.192 5.517 212 2HO* C 20 2HO* C 20 -7.584 -4.670 7.881 213 H1* C 20 H1* C 20 -5.631 -3.792 7.562 214 1H4 C 20 1H4 C 20 -1.529 -2.271 2.643 215 2H4 C 20 2H4 C 20 -0.508 -3.355 3.559 216 H5 C 20 H5 C 20 -1.372 -4.659 5.547 217 H6 C 20 H6 C 20 -3.303 -5.128 6.802 218 1H5* U 21 1H5* U 21 -9.780 -3.525 2.457 219 2H5* U 21 2H5* U 21 -10.835 -4.963 2.211 220 H4* U 21 H4* U 21 -10.749 -3.259 0.360 221 H3* U 21 H3* U 21 -10.537 -5.908 -0.098 222 1H2* U 21 1H2* U 21 -8.361 -6.002 0.106 223 2HO* U 21 2HO* U 21 -7.824 -5.608 -2.576 224 H1* U 21 H1* U 21 -7.951 -3.647 -1.785 225 H3 U 21 H3 U 21 -3.587 -2.913 -0.918 226 H5 U 21 H5 U 21 -4.750 -5.309 2.335 227 H6 U 21 H6 U 21 -6.987 -5.307 1.461 228 1H5* C 22 1H5* C 22 -9.576 -4.299 -5.224 229 2H5* C 22 2H5* C 22 -9.189 -5.373 -3.832 230 H4* C 22 H4* C 22 -7.357 -3.385 -5.301 231 H3* C 22 H3* C 22 -7.794 -6.356 -5.538 232 1H2* C 22 1H2* C 22 -5.960 -6.795 -4.666 233 2HO* C 22 2HO* C 22 -5.186 -5.736 -7.146 234 H1* C 22 H1* C 22 -5.146 -3.909 -5.145 235 1H4 C 22 1H4 C 22 -0.358 -5.077 -1.124 236 2H4 C 22 2H4 C 22 -1.238 -6.314 -0.238 237 H5 C 22 H5 C 22 -3.558 -6.896 -0.813 238 H6 C 22 H6 C 22 -5.379 -6.476 -2.389 239 1H5* G 23 1H5* G 23 -5.774 -6.475 -10.390 240 2H5* G 23 2H5* G 23 -5.841 -6.560 -8.603 241 H4* G 23 H4* G 23 -3.684 -5.277 -10.406 242 H3* G 23 H3* G 23 -3.456 -7.807 -8.666 243 1H2* G 23 1H2* G 23 -1.519 -7.654 -8.598 244 2HO* G 23 2HO* G 23 -1.008 -7.491 -10.764 245 H1* G 23 H1* G 23 -1.370 -4.968 -8.911 246 H8 G 23 H8 G 23 -3.158 -6.685 -5.934 247 H1 G 23 H1 G 23 2.961 -5.155 -4.912 248 1H2 G 23 1H2 G 23 3.861 -4.384 -6.836 249 2H2 G 23 2H2 G 23 2.903 -4.118 -8.280 250 1H5* U 24 1H5* U 24 -1.062 -7.858 -12.807 251 2H5* U 24 2H5* U 24 -0.899 -9.621 -13.149 252 H4* U 24 H4* U 24 1.220 -8.233 -13.406 253 H3* U 24 H3* U 24 1.224 -9.940 -10.888 254 1H2* U 24 1H2* U 24 3.586 -9.445 -10.816 255 2HO* U 24 2HO* U 24 3.808 -9.311 -13.160 256 H1* U 24 H1* U 24 3.021 -6.826 -10.935 257 H3 U 24 H3 U 24 3.727 -8.098 -6.490 258 H5 U 24 H5 U 24 -0.377 -8.641 -7.186 259 H6 U 24 H6 U 24 -0.015 -8.202 -9.500 260 1H5* G 25 1H5* G 25 4.703 -11.168 -12.834 261 2H5* G 25 2H5* G 25 4.736 -12.968 -12.921 262 H4* G 25 H4* G 25 6.818 -11.829 -11.981 263 H3* G 25 H3* G 25 5.159 -13.215 -9.832 264 1H2* G 25 1H2* G 25 7.085 -12.865 -8.430 265 2HO* G 25 2HO* G 25 8.616 -13.094 -10.229 266 H1* G 25 H1* G 25 7.079 -10.270 -9.028 267 H8 G 25 H8 G 25 3.417 -11.191 -9.363 268 H1 G 25 H1 G 25 5.246 -10.671 -3.257 269 1H2 G 25 1H2 G 25 7.493 -10.606 -3.131 270 2H2 G 25 2H2 G 25 8.521 -10.622 -4.554 271 1H5* C 26 1H5* C 26 8.871 -14.764 -9.110 272 2H5* C 26 2H5* C 26 8.812 -16.561 -8.993 273 H4* C 26 H4* C 26 9.836 -15.253 -7.002 274 H3* C 26 H3* C 26 7.125 -16.558 -6.418 275 1H2* C 26 1H2* C 26 7.465 -15.872 -4.146 276 2HO* C 26 2HO* C 26 9.825 -16.176 -4.302 277 H1* C 26 H1* C 26 8.007 -13.374 -4.879 278 1H4 C 26 1H4 C 26 1.667 -13.746 -4.228 279 2H4 C 26 2H4 C 26 1.455 -13.955 -5.958 280 H5 C 26 H5 C 26 3.389 -14.262 -7.464 281 H6 C 26 H6 C 26 5.822 -14.393 -7.562 282 1H5* C 27 1H5* C 27 8.743 -17.267 -3.107 283 2H5* C 27 2H5* C 27 9.206 -18.975 -2.791 284 H4* C 27 H4* C 27 7.957 -17.701 -0.943 285 H3* C 27 H3* C 27 6.610 -19.995 -2.282 286 1H2* C 27 1H2* C 27 4.705 -19.410 -1.919 287 2HO* C 27 2HO* C 27 3.944 -18.988 0.291 288 H1* C 27 H1* C 27 5.520 -17.082 -0.162 289 1H4 C 27 1H4 C 27 -0.519 -15.984 -2.012 290 2H4 C 27 2H4 C 27 -0.055 -15.947 -3.702 291 H5 C 27 H5 C 27 2.216 -16.488 -4.437 292 H6 C 27 H6 C 27 4.456 -17.095 -3.689 293 H3T C 27 H3T C 27 7.452 -19.619 0.430 294 H1 TOA 28 H1 TOA 28 -1.572 5.702 2.477 295 H2 TOA 28 H2 TOA 28 0.207 4.120 1.973 296 H3 TOA 28 H3 TOA 28 -1.998 2.071 2.306 297 H4 TOA 28 H4 TOA 28 0.541 2.566 3.932 298 H5 TOA 28 H5 TOA 28 -2.375 2.928 4.643 299 1H6 TOA 28 1H6 TOA 28 -1.451 3.881 6.679 300 2H6 TOA 28 2H6 TOA 28 -1.051 2.153 6.556 301 HO2 TOA 28 HO2 TOA 28 -1.234 4.967 0.254 302 HO4 TOA 28 HO4 TOA 28 -0.302 0.764 5.297 303 HO6 TOA 28 HO6 TOA 28 0.816 3.343 7.310 304 1HN3 TOA 28 1H3 TOA 28 0.741 1.895 1.208 305 2HN3 TOA 28 2H3 TOA 28 0.044 0.559 2.005 306 3HN3 TOA 28 3H3 TOA 28 -0.724 1.237 0.662 307 H1 TOB 29 H1 TOB 29 -5.585 3.926 2.264 308 1H2 TOB 29 1H2 TOB 29 -5.108 5.685 -0.122 309 2H2 TOB 29 2H2 TOB 29 -6.646 4.717 0.116 310 H3 TOB 29 H3 TOB 29 -7.048 6.053 2.208 311 1H4 TOB 29 H4 TOB 29 -4.651 7.658 1.238 312 H5 TOB 29 H5 TOB 29 -4.967 5.918 3.725 313 H6 TOB 29 H6 TOB 29 -3.287 5.608 1.209 314 1HN1 TOB 29 1H1 TOB 29 -3.606 2.865 1.088 315 2HN1 TOB 29 2H1 TOB 29 -5.171 2.545 0.537 316 3HN1 TOB 29 3H1 TOB 29 -4.168 3.611 -0.321 317 1HN3 TOB 29 1H3 TOB 29 -7.675 6.633 -0.189 318 2HN3 TOB 29 2H3 TOB 29 -8.002 7.732 1.069 319 3HN3 TOB 29 3H3 TOB 29 -6.675 7.985 0.037 320 HO5 TOB 29 HO5 TOB 29 -2.665 6.460 4.079 321 H1 TOC 30 H1 TOC 30 -4.077 9.345 2.479 322 H2 TOC 30 H2 TOC 30 -4.317 10.817 4.425 323 1H3 TOC 30 1H3 TOC 30 -6.793 9.290 5.008 324 2H3 TOC 30 2H3 TOC 30 -6.083 10.517 6.093 325 H4 TOC 30 H4 TOC 30 -6.331 12.137 4.271 326 H5 TOC 30 H5 TOC 30 -7.670 9.846 2.757 327 1H6 TOC 30 1H6 TOC 30 -7.128 12.729 1.897 328 2H6 TOC 30 2H6 TOC 30 -7.807 11.435 0.863 329 1HN2 TOC 30 1H2 TOC 30 -3.303 8.556 4.677 330 2HN2 TOC 30 2H2 TOC 30 -3.789 9.361 6.091 331 3HN2 TOC 30 3H2 TOC 30 -4.729 8.087 5.454 332 1HN6 TOC 30 1H6 TOC 30 -9.411 13.032 1.921 333 2HN6 TOC 30 2H6 TOC 30 -9.756 11.386 2.134 334 3HN6 TOC 30 3H6 TOC 30 -9.058 12.266 3.405 335 HO4 TOC 30 HO4 TOC 30 -8.105 11.810 5.835 Start of MODEL 6 1 1H5* G 1 1H5* G 1 -7.120 -19.303 -10.384 2 2H5* G 1 2H5* G 1 -6.449 -19.972 -8.853 3 H4* G 1 H4* G 1 -4.981 -20.205 -10.890 4 H3* G 1 H3* G 1 -4.120 -18.260 -8.825 5 1H2* G 1 1H2* G 1 -2.982 -17.097 -10.035 6 2HO* G 1 2HO* G 1 -1.329 -18.772 -9.698 7 H1* G 1 H1* G 1 -3.308 -18.962 -12.402 8 H8 G 1 H8 G 1 -5.315 -15.882 -12.696 9 H1 G 1 H1 G 1 0.801 -14.634 -14.127 10 1H2 G 1 1H2 G 1 2.101 -16.369 -13.499 11 2H2 G 1 2H2 G 1 1.446 -17.760 -12.654 12 H5T G 1 H5T G 1 -7.385 -17.995 -8.428 13 1H5* G 2 1H5* G 2 -0.255 -20.238 -9.718 14 2H5* G 2 2H5* G 2 0.432 -20.781 -8.144 15 H4* G 2 H4* G 2 1.957 -19.431 -9.736 16 H3* G 2 H3* G 2 1.025 -17.982 -7.257 17 1H2* G 2 1H2* G 2 1.686 -16.157 -7.917 18 2HO* G 2 2HO* G 2 3.784 -15.919 -9.103 19 H1* G 2 H1* G 2 2.622 -17.361 -10.523 20 H8 G 2 H8 G 2 -0.723 -15.585 -10.305 21 H1 G 2 H1 G 2 4.054 -11.579 -11.730 22 1H2 G 2 1H2 G 2 6.032 -12.587 -11.336 23 2H2 G 2 2H2 G 2 6.159 -14.279 -10.885 24 1H5* C 3 1H5* C 3 5.642 -18.022 -7.314 25 2H5* C 3 2H5* C 3 6.103 -18.221 -5.584 26 H4* C 3 H4* C 3 7.427 -16.455 -6.772 27 H3* C 3 H3* C 3 5.213 -15.246 -5.089 28 1H2* C 3 1H2* C 3 6.183 -13.192 -5.394 29 2HO* C 3 2HO* C 3 8.239 -13.025 -5.590 30 H1* C 3 H1* C 3 6.863 -13.713 -7.940 31 1H4 C 3 1H4 C 3 1.842 -9.930 -8.676 32 2H4 C 3 2H4 C 3 0.710 -11.143 -8.112 33 H5 C 3 H5 C 3 1.465 -13.378 -7.382 34 H6 C 3 H6 C 3 3.437 -14.762 -6.961 35 1H5* A 4 1H5* A 4 9.053 -13.706 -3.941 36 2H5* A 4 2H5* A 4 9.034 -13.491 -2.153 37 H4* A 4 H4* A 4 9.897 -11.504 -3.377 38 H3* A 4 H3* A 4 7.015 -11.104 -2.494 39 1H2* A 4 1H2* A 4 7.391 -8.790 -3.121 40 2HO* A 4 2HO* A 4 9.295 -8.077 -2.940 41 H1* A 4 H1* A 4 8.393 -9.302 -5.295 42 H8 A 4 H8 A 4 5.746 -11.747 -4.240 43 1H6 A 4 1H6 A 4 1.672 -7.898 -6.868 44 2H6 A 4 2H6 A 4 1.851 -9.420 -6.019 45 H2 A 4 H2 A 4 5.701 -5.938 -6.875 46 1H5* C 5 1H5* C 5 9.706 -8.206 -1.069 47 2H5* C 5 2H5* C 5 9.339 -7.657 0.608 48 H4* C 5 H4* C 5 9.622 -5.877 -1.120 49 H3* C 5 H3* C 5 6.764 -6.188 -0.270 50 1H2* C 5 1H2* C 5 6.210 -4.355 -1.443 51 2HO* C 5 2HO* C 5 7.625 -2.872 -1.679 52 H1* C 5 H1* C 5 7.352 -5.259 -3.637 53 1H4 C 5 1H4 C 5 1.647 -8.185 -3.515 54 2H4 C 5 2H4 C 5 2.331 -9.461 -2.526 55 H5 C 5 H5 C 5 4.669 -9.338 -1.634 56 H6 C 5 H6 C 5 6.675 -7.868 -1.540 57 1H5* G 6 1H5* G 6 8.065 -2.133 0.326 58 2H5* G 6 2H5* G 6 7.401 -1.361 1.808 59 H4* G 6 H4* G 6 7.053 -0.207 -0.493 60 H3* G 6 H3* G 6 4.514 -1.265 0.793 61 1H2* G 6 1H2* G 6 3.304 -0.229 -0.904 62 2HO* G 6 2HO* G 6 4.663 1.588 -1.138 63 H1* G 6 H1* G 6 4.743 -1.470 -2.729 64 H8 G 6 H8 G 6 5.013 -3.943 0.081 65 H1 G 6 H1 G 6 -0.808 -4.021 -2.530 66 1H2 G 6 1H2 G 6 -1.091 -2.204 -3.826 67 2H2 G 6 2H2 G 6 0.131 -0.960 -4.018 68 1H5* A 7 1H5* A 7 2.834 4.073 -1.013 69 2H5* A 7 2H5* A 7 2.206 3.580 0.597 70 H4* A 7 H4* A 7 2.385 1.892 -1.997 71 H3* A 7 H3* A 7 0.113 3.157 -0.478 72 1H2* A 7 1H2* A 7 -0.932 1.399 -0.405 73 2HO* A 7 2HO* A 7 -1.606 1.818 -2.690 74 H1* A 7 H1* A 7 1.157 -0.015 -2.012 75 H8 A 7 H8 A 7 2.077 -0.993 1.144 76 1H6 A 7 1H6 A 7 -2.480 -5.054 1.949 77 2H6 A 7 2H6 A 7 -0.901 -4.506 2.452 78 H2 A 7 H2 A 7 -3.633 -2.341 -1.478 79 1H5* G 8 1H5* G 8 -1.892 2.222 -4.640 80 2H5* G 8 2H5* G 8 -2.577 3.836 -5.035 81 H4* G 8 H4* G 8 -3.992 1.787 -5.502 82 H3* G 8 H3* G 8 -5.105 3.990 -4.408 83 1H2* G 8 1H2* G 8 -4.510 3.266 -2.243 84 2HO* G 8 2HO* G 8 -7.250 2.595 -2.722 85 H1* G 8 H1* G 8 -5.886 0.636 -2.874 86 H8 G 8 H8 G 8 -2.683 2.035 -1.156 87 H1 G 8 H1 G 8 -5.955 -2.260 2.255 88 1H2 G 8 1H2 G 8 -7.910 -2.763 1.010 89 2H2 G 8 2H2 G 8 -8.072 -2.194 -0.635 90 1H5* G 9 1H5* G 9 -10.182 3.420 -3.212 91 2H5* G 9 2H5* G 9 -8.680 3.241 -2.254 92 H4* G 9 H4* G 9 -11.001 1.264 -2.731 93 H3* G 9 H3* G 9 -10.021 2.759 -0.286 94 1H2* G 9 1H2* G 9 -11.149 1.130 1.020 95 2HO* G 9 2HO* G 9 -11.689 -0.545 -1.118 96 H1* G 9 H1* G 9 -9.779 -0.802 -0.192 97 H8 G 9 H8 G 9 -7.509 2.204 -0.733 98 H1 G 9 H1 G 9 -6.860 -0.139 5.159 99 1H2 G 9 1H2 G 9 -8.538 -1.465 5.676 100 2H2 G 9 2H2 G 9 -9.593 -2.173 4.481 101 1H5* U 10 1H5* U 10 -13.950 3.897 2.983 102 2H5* U 10 2H5* U 10 -12.158 4.008 2.844 103 H4* U 10 H4* U 10 -13.934 1.522 3.324 104 H3* U 10 H3* U 10 -12.177 3.178 5.175 105 1H2* U 10 1H2* U 10 -11.736 1.215 6.433 106 2HO* U 10 2HO* U 10 -12.607 -0.793 5.430 107 H1* U 10 H1* U 10 -10.864 -0.038 4.285 108 H3 U 10 H3 U 10 -7.559 2.526 6.605 109 H5 U 10 H5 U 10 -8.213 4.289 2.836 110 H6 U 10 H6 U 10 -10.185 2.862 2.601 111 1H5* U 11 1H5* U 11 -13.157 1.546 8.265 112 2H5* U 11 2H5* U 11 -14.258 2.560 9.270 113 H4* U 11 H4* U 11 -12.141 1.692 10.412 114 H3* U 11 H3* U 11 -12.360 4.672 9.863 115 1H2* U 11 1H2* U 11 -10.283 5.072 10.796 116 2HO* U 11 2HO* U 11 -10.625 3.774 12.571 117 H1* U 11 H1* U 11 -9.048 2.947 9.772 118 H3 U 11 H3 U 11 -7.042 5.972 7.139 119 H5 U 11 H5 U 11 -11.005 5.933 5.684 120 H6 U 11 H6 U 11 -11.582 4.455 7.499 121 1H5* U 12 1H5* U 12 -11.775 7.080 14.315 122 2H5* U 12 2H5* U 12 -11.479 6.986 12.554 123 H4* U 12 H4* U 12 -9.530 6.477 14.922 124 H3* U 12 H3* U 12 -9.733 8.498 12.749 125 1H2* U 12 1H2* U 12 -7.581 8.932 12.929 126 2HO* U 12 2HO* U 12 -6.264 8.165 14.497 127 H1* U 12 H1* U 12 -6.878 6.431 12.684 128 H3 U 12 H3 U 12 -6.241 8.742 8.791 129 H5 U 12 H5 U 12 -10.361 7.871 8.837 130 H6 U 12 H6 U 12 -10.020 7.048 11.131 131 1H5* A 13 1H5* A 13 -11.226 12.906 13.056 132 2H5* A 13 2H5* A 13 -11.736 11.492 12.062 133 H4* A 13 H4* A 13 -10.370 13.393 10.940 134 H3* A 13 H3* A 13 -9.910 10.746 10.551 135 1H2* A 13 1H2* A 13 -8.555 10.506 12.228 136 2HO* A 13 2HO* A 13 -6.661 11.194 10.203 137 H1* A 13 H1* A 13 -6.928 12.950 11.446 138 H8 A 13 H8 A 13 -8.278 10.727 14.449 139 1H6 A 13 1H6 A 13 -4.638 11.692 17.491 140 2H6 A 13 2H6 A 13 -3.232 12.735 17.409 141 H2 A 13 H2 A 13 -3.368 14.772 13.429 142 1H5* G 14 1H5* G 14 -5.050 14.105 9.116 143 2H5* G 14 2H5* G 14 -4.989 13.024 7.681 144 H4* G 14 H4* G 14 -2.973 13.101 9.251 145 H3* G 14 H3* G 14 -4.411 10.474 9.618 146 1H2* G 14 1H2* G 14 -2.328 9.774 10.554 147 2HO* G 14 2HO* G 14 -0.955 10.978 9.088 148 H1* G 14 H1* G 14 -2.178 12.202 11.851 149 H8 G 14 H8 G 14 -5.486 10.101 11.803 150 H1 G 14 H1 G 14 -1.666 9.164 16.861 151 1H2 G 14 1H2 G 14 0.234 10.330 16.594 152 2H2 G 14 2H2 G 14 0.526 11.299 15.167 153 1H5* C 15 1H5* C 15 -0.072 8.812 6.205 154 2H5* C 15 2H5* C 15 -1.770 8.614 6.697 155 H4* C 15 H4* C 15 -0.735 7.918 8.960 156 H3* C 15 H3* C 15 1.778 8.212 7.356 157 1H2* C 15 1H2* C 15 2.711 6.383 8.279 158 2HO* C 15 2HO* C 15 1.474 6.809 10.530 159 H1* C 15 H1* C 15 0.424 4.916 7.925 160 1H4 C 15 1H4 C 15 4.135 4.480 2.647 161 2H4 C 15 2H4 C 15 3.312 5.901 2.048 162 H5 C 15 H5 C 15 1.515 7.062 3.407 163 H6 C 15 H6 C 15 0.478 7.062 5.638 164 1H5* U 16 1H5* U 16 -0.315 8.435 11.047 165 2H5* U 16 2H5* U 16 0.238 9.411 12.446 166 H4* U 16 H4* U 16 -0.142 7.367 13.827 167 H3* U 16 H3* U 16 -0.676 5.993 11.161 168 1H2* U 16 1H2* U 16 -2.058 4.517 12.340 169 2HO* U 16 2HO* U 16 -0.812 4.345 14.176 170 H1* U 16 H1* U 16 -3.451 6.465 13.473 171 H3 U 16 H3 U 16 -5.826 4.900 9.805 172 H5 U 16 H5 U 16 -3.105 7.686 8.240 173 H6 U 16 H6 U 16 -2.056 7.788 10.398 174 1H5* A 17 1H5* A 17 0.268 0.766 13.725 175 2H5* A 17 2H5* A 17 -0.261 1.338 12.103 176 H4* A 17 H4* A 17 -1.625 1.719 14.841 177 H3* A 17 H3* A 17 -2.045 -0.737 13.458 178 1H2* A 17 1H2* A 17 -2.139 0.408 11.560 179 2HO* A 17 2HO* A 17 -4.562 -0.668 12.536 180 H1* A 17 H1* A 17 -4.407 1.960 12.726 181 H8 A 17 H8 A 17 -1.539 3.580 10.651 182 1H6 A 17 1H6 A 17 -5.519 3.204 6.000 183 2H6 A 17 2H6 A 17 -4.070 3.938 6.637 184 H2 A 17 H2 A 17 -7.199 0.935 9.712 185 1H5* C 18 1H5* C 18 -5.412 -3.553 13.721 186 2H5* C 18 2H5* C 18 -4.267 -2.684 12.634 187 H4* C 18 H4* C 18 -7.341 -2.671 12.622 188 H3* C 18 H3* C 18 -5.727 -4.730 11.634 189 1H2* C 18 1H2* C 18 -4.747 -3.479 10.145 190 2HO* C 18 2HO* C 18 -6.951 -4.864 9.002 191 H1* C 18 H1* C 18 -7.470 -2.426 9.544 192 1H4 C 18 1H4 C 18 -4.298 1.011 5.150 193 2H4 C 18 2H4 C 18 -2.789 0.864 6.022 194 H5 C 18 H5 C 18 -2.660 -0.153 8.235 195 H6 C 18 H6 C 18 -3.916 -1.415 9.922 196 1H5* A 19 1H5* A 19 -11.101 -7.214 10.970 197 2H5* A 19 2H5* A 19 -9.418 -7.824 11.062 198 H4* A 19 H4* A 19 -10.538 -5.501 9.383 199 H3* A 19 H3* A 19 -11.073 -8.115 8.799 200 1H2* A 19 1H2* A 19 -8.766 -8.663 8.903 201 2HO* A 19 2HO* A 19 -9.210 -8.142 6.077 202 H1* A 19 H1* A 19 -8.535 -6.374 7.012 203 H8 A 19 H8 A 19 -6.274 -7.485 10.042 204 1H6 A 19 1H6 A 19 -2.069 -7.404 7.620 205 2H6 A 19 2H6 A 19 -1.644 -7.086 5.951 206 H2 A 19 H2 A 19 -5.483 -6.243 3.803 207 1H5* C 20 1H5* C 20 -12.941 -3.180 5.212 208 2H5* C 20 2H5* C 20 -13.773 -4.765 5.294 209 H4* C 20 H4* C 20 -12.457 -4.327 3.229 210 H3* C 20 H3* C 20 -12.100 -6.713 4.573 211 1H2* C 20 1H2* C 20 -10.234 -5.681 5.708 212 2HO* C 20 2HO* C 20 -8.367 -6.853 4.786 213 H1* C 20 H1* C 20 -9.611 -4.969 2.842 214 1H4 C 20 1H4 C 20 -4.025 -2.569 4.450 215 2H4 C 20 2H4 C 20 -4.308 -2.732 6.170 216 H5 C 20 H5 C 20 -6.555 -3.485 7.076 217 H6 C 20 H6 C 20 -8.732 -4.216 6.437 218 1H5* U 21 1H5* U 21 -11.805 -4.317 1.008 219 2H5* U 21 2H5* U 21 -12.702 -4.475 -0.539 220 H4* U 21 H4* U 21 -10.331 -3.446 -0.511 221 H3* U 21 H3* U 21 -10.821 -6.009 -2.026 222 1H2* U 21 1H2* U 21 -8.828 -6.708 -1.814 223 2HO* U 21 2HO* U 21 -8.078 -4.201 -2.964 224 H1* U 21 H1* U 21 -8.188 -3.938 -0.933 225 H3 U 21 H3 U 21 -3.936 -4.877 0.210 226 H5 U 21 H5 U 21 -6.130 -7.853 2.240 227 H6 U 21 H6 U 21 -8.112 -7.077 1.091 228 1H5* C 22 1H5* C 22 -7.268 -0.922 -2.510 229 2H5* C 22 2H5* C 22 -8.513 -0.721 -3.791 230 H4* C 22 H4* C 22 -6.133 -1.262 -4.535 231 H3* C 22 H3* C 22 -8.088 -3.559 -4.747 232 1H2* C 22 1H2* C 22 -6.669 -4.953 -5.046 233 2HO* C 22 2HO* C 22 -5.039 -3.394 -6.816 234 H1* C 22 H1* C 22 -4.519 -2.797 -4.817 235 1H4 C 22 1H4 C 22 -1.122 -6.839 -1.342 236 2H4 C 22 2H4 C 22 -2.368 -8.078 -1.304 237 H5 C 22 H5 C 22 -4.617 -7.646 -2.247 238 H6 C 22 H6 C 22 -5.962 -6.039 -3.484 239 1H5* G 23 1H5* G 23 -5.561 -0.551 -9.106 240 2H5* G 23 2H5* G 23 -5.876 -2.184 -8.412 241 H4* G 23 H4* G 23 -3.581 -0.239 -7.724 242 H3* G 23 H3* G 23 -3.450 -2.827 -9.399 243 1H2* G 23 1H2* G 23 -1.576 -3.122 -8.924 244 2HO* G 23 2HO* G 23 -0.738 -1.115 -9.562 245 H1* G 23 H1* G 23 -1.601 -1.625 -6.637 246 H8 G 23 H8 G 23 -3.677 -4.892 -6.687 247 H1 G 23 H1 G 23 2.311 -5.610 -4.537 248 1H2 G 23 1H2 G 23 3.462 -3.696 -4.845 249 2H2 G 23 2H2 G 23 2.738 -2.279 -5.590 250 1H5* U 24 1H5* U 24 -0.438 0.754 -10.565 251 2H5* U 24 2H5* U 24 -0.037 0.422 -12.290 252 H4* U 24 H4* U 24 1.947 0.906 -10.769 253 H3* U 24 H3* U 24 1.672 -2.030 -11.496 254 1H2* U 24 1H2* U 24 3.871 -2.289 -10.631 255 2HO* U 24 2HO* U 24 5.095 -0.625 -10.647 256 H1* U 24 H1* U 24 3.171 -1.068 -8.360 257 H3 U 24 H3 U 24 3.242 -5.664 -7.656 258 H5 U 24 H5 U 24 -0.583 -4.849 -9.168 259 H6 U 24 H6 U 24 0.097 -2.606 -9.601 260 1H5* G 25 1H5* G 25 5.566 -0.869 -12.660 261 2H5* G 25 2H5* G 25 5.901 -1.485 -14.319 262 H4* G 25 H4* G 25 7.648 -2.001 -12.528 263 H3* G 25 H3* G 25 6.000 -4.437 -13.322 264 1H2* G 25 1H2* G 25 7.656 -5.691 -12.087 265 2HO* G 25 2HO* G 25 9.413 -4.191 -12.611 266 H1* G 25 H1* G 25 7.236 -4.165 -9.965 267 H8 G 25 H8 G 25 3.857 -3.961 -11.681 268 H1 G 25 H1 G 25 4.734 -9.560 -8.735 269 1H2 G 25 1H2 G 25 6.919 -9.822 -8.220 270 2H2 G 25 2H2 G 25 8.108 -8.559 -8.483 271 1H5* C 26 1H5* C 26 9.900 -5.840 -13.641 272 2H5* C 26 2H5* C 26 10.163 -6.623 -15.243 273 H4* C 26 H4* C 26 10.713 -8.015 -13.117 274 H3* C 26 H3* C 26 8.253 -8.904 -14.711 275 1H2* C 26 1H2* C 26 8.092 -10.765 -13.236 276 2HO* C 26 2HO* C 26 9.633 -10.907 -11.522 277 H1* C 26 H1* C 26 8.232 -9.210 -11.088 278 1H4 C 26 1H4 C 26 2.084 -9.468 -12.732 279 2H4 C 26 2H4 C 26 2.175 -7.907 -13.537 280 H5 C 26 H5 C 26 4.356 -6.786 -13.892 281 H6 C 26 H6 C 26 6.749 -6.939 -13.465 282 1H5* C 27 1H5* C 27 9.370 -12.382 -13.889 283 2H5* C 27 2H5* C 27 10.123 -13.293 -15.248 284 H4* C 27 H4* C 27 8.312 -14.482 -13.864 285 H3* C 27 H3* C 27 7.762 -13.806 -16.712 286 1H2* C 27 1H2* C 27 5.749 -13.727 -16.564 287 2HO* C 27 2HO* C 27 4.495 -15.581 -15.805 288 H1* C 27 H1* C 27 5.698 -14.746 -13.713 289 1H4 C 27 1H4 C 27 0.017 -11.973 -14.750 290 2H4 C 27 2H4 C 27 0.766 -10.421 -15.072 291 H5 C 27 H5 C 27 3.196 -10.160 -15.218 292 H6 C 27 H6 C 27 5.336 -11.310 -15.001 293 H3T C 27 H3T C 27 7.933 -16.346 -15.398 294 H1 TOA 28 H1 TOA 28 -1.935 5.438 2.090 295 H2 TOA 28 H2 TOA 28 -0.108 3.755 2.004 296 H3 TOA 28 H3 TOA 28 -2.342 1.838 2.693 297 H4 TOA 28 H4 TOA 28 0.137 2.685 4.232 298 H5 TOA 28 H5 TOA 28 -2.853 3.125 4.715 299 1H6 TOA 28 1H6 TOA 28 -1.612 2.875 6.826 300 2H6 TOA 28 2H6 TOA 28 -0.436 4.092 6.267 301 HO2 TOA 28 HO2 TOA 28 -1.522 4.187 0.071 302 HO4 TOA 28 HO4 TOA 28 -0.746 1.283 5.971 303 HO6 TOA 28 HO6 TOA 28 -2.104 4.942 7.771 304 1HN3 TOA 28 1H3 TOA 28 -0.518 0.200 2.802 305 2HN3 TOA 28 2H3 TOA 28 -0.955 0.722 1.258 306 3HN3 TOA 28 3H3 TOA 28 0.496 1.260 1.958 307 H1 TOB 29 H1 TOB 29 -6.002 3.926 2.279 308 1H2 TOB 29 1H2 TOB 29 -5.848 6.210 0.313 309 2H2 TOB 29 2H2 TOB 29 -7.342 5.197 0.603 310 H3 TOB 29 H3 TOB 29 -7.307 5.999 3.002 311 1H4 TOB 29 H4 TOB 29 -5.074 7.774 1.955 312 H5 TOB 29 H5 TOB 29 -5.053 5.564 4.069 313 H6 TOB 29 H6 TOB 29 -3.797 5.768 1.317 314 1HN1 TOB 29 1H1 TOB 29 -4.606 2.842 0.701 315 2HN1 TOB 29 2H1 TOB 29 -5.813 3.471 -0.290 316 3HN1 TOB 29 3H1 TOB 29 -4.339 4.252 -0.155 317 1HN3 TOB 29 1H3 TOB 29 -8.672 7.084 1.463 318 2HN3 TOB 29 2H3 TOB 29 -8.033 8.186 2.581 319 3HN3 TOB 29 3H3 TOB 29 -7.434 8.144 0.975 320 HO5 TOB 29 HO5 TOB 29 -2.725 6.001 4.207 321 H1 TOC 30 H1 TOC 30 -3.968 8.838 4.052 322 H2 TOC 30 H2 TOC 30 -4.602 10.627 5.600 323 1H3 TOC 30 1H3 TOC 30 -7.376 9.619 5.311 324 2H3 TOC 30 2H3 TOC 30 -6.865 10.882 6.458 325 H4 TOC 30 H4 TOC 30 -6.078 12.182 4.531 326 H5 TOC 30 H5 TOC 30 -7.239 9.916 2.852 327 1H6 TOC 30 1H6 TOC 30 -5.788 12.460 1.998 328 2H6 TOC 30 2H6 TOC 30 -6.343 11.159 0.904 329 1HN2 TOC 30 1H2 TOC 30 -5.752 8.051 6.471 330 2HN2 TOC 30 2H2 TOC 30 -4.104 8.452 6.517 331 3HN2 TOC 30 3H2 TOC 30 -5.210 9.347 7.442 332 1HN6 TOC 30 1H6 TOC 30 -8.588 11.724 1.371 333 2HN6 TOC 30 2H6 TOC 30 -8.134 12.722 2.669 334 3HN6 TOC 30 3H6 TOC 30 -7.770 13.181 1.072 335 HO4 TOC 30 HO4 TOC 30 -8.866 11.131 4.234 Start of MODEL 7 1 1H5* G 1 1H5* G 1 -1.218 -20.958 4.220 2 2H5* G 1 2H5* G 1 -1.237 -20.256 5.878 3 H4* G 1 H4* G 1 0.901 -21.400 5.194 4 H3* G 1 H3* G 1 0.993 -18.441 5.387 5 1H2* G 1 1H2* G 1 2.583 -18.154 4.168 6 2HO* G 1 2HO* G 1 4.599 -19.282 4.514 7 H1* G 1 H1* G 1 3.084 -21.126 3.868 8 H8 G 1 H8 G 1 1.514 -19.653 0.891 9 H1 G 1 H1 G 1 7.749 -18.192 0.935 10 1H2 G 1 1H2 G 1 8.627 -18.619 2.966 11 2H2 G 1 2H2 G 1 7.671 -19.279 4.279 12 H5T G 1 H5T G 1 -0.753 -18.237 4.948 13 1H5* G 2 1H5* G 2 4.770 -19.318 7.214 14 2H5* G 2 2H5* G 2 4.828 -18.491 8.813 15 H4* G 2 H4* G 2 6.836 -18.186 7.258 16 H3* G 2 H3* G 2 5.064 -15.763 7.535 17 1H2* G 2 1H2* G 2 5.976 -14.758 5.988 18 2HO* G 2 2HO* G 2 7.871 -14.366 7.418 19 H1* G 2 H1* G 2 7.816 -17.106 5.485 20 H8 G 2 H8 G 2 4.693 -16.625 3.386 21 H1 G 2 H1 G 2 9.772 -13.691 0.848 22 1H2 G 2 1H2 G 2 11.427 -13.568 2.371 23 2H2 G 2 2H2 G 2 11.325 -14.358 3.935 24 1H5* C 3 1H5* C 3 9.389 -14.597 8.878 25 2H5* C 3 2H5* C 3 9.113 -13.444 10.234 26 H4* C 3 H4* C 3 10.830 -12.649 8.590 27 H3* C 3 H3* C 3 8.145 -11.332 8.100 28 1H2* C 3 1H2* C 3 9.183 -9.857 6.690 29 2HO* C 3 2HO* C 3 11.142 -9.287 7.016 30 H1* C 3 H1* C 3 10.836 -11.736 5.700 31 1H4 C 3 1H4 C 3 6.626 -11.145 1.017 32 2H4 C 3 2H4 C 3 5.337 -11.908 1.926 33 H5 C 3 H5 C 3 5.695 -12.717 4.234 34 H6 C 3 H6 C 3 7.299 -12.789 6.081 35 1H5* A 4 1H5* A 4 11.170 -8.350 8.752 36 2H5* A 4 2H5* A 4 10.401 -6.993 9.650 37 H4* A 4 H4* A 4 11.721 -6.262 7.662 38 H3* A 4 H3* A 4 8.738 -6.260 7.069 39 1H2* A 4 1H2* A 4 9.376 -5.061 5.069 40 2HO* A 4 2HO* A 4 11.039 -3.878 5.186 41 H1* A 4 H1* A 4 11.181 -6.613 4.446 42 H8 A 4 H8 A 4 8.272 -8.269 6.161 43 1H6 A 4 1H6 A 4 5.699 -8.638 0.526 44 2H6 A 4 2H6 A 4 5.483 -9.061 2.214 45 H2 A 4 H2 A 4 9.450 -6.230 0.235 46 1H5* C 5 1H5* C 5 10.579 -2.404 6.530 47 2H5* C 5 2H5* C 5 9.456 -1.063 6.966 48 H4* C 5 H4* C 5 10.531 -0.976 4.699 49 H3* C 5 H3* C 5 7.612 -1.629 4.525 50 1H2* C 5 1H2* C 5 7.713 -1.403 2.290 51 2HO* C 5 2HO* C 5 9.072 -0.032 1.536 52 H1* C 5 H1* C 5 9.715 -3.112 2.105 53 1H4 C 5 1H4 C 5 4.303 -6.533 2.597 54 2H4 C 5 2H4 C 5 4.528 -6.600 4.335 55 H5 C 5 H5 C 5 6.261 -5.199 5.495 56 H6 C 5 H6 C 5 8.100 -3.580 5.065 57 1H5* G 6 1H5* G 6 7.908 1.973 2.352 58 2H5* G 6 2H5* G 6 6.471 3.046 2.489 59 H4* G 6 H4* G 6 7.190 2.081 0.157 60 H3* G 6 H3* G 6 4.525 1.061 1.202 61 1H2* G 6 1H2* G 6 4.203 0.163 -0.997 62 2HO* G 6 2HO* G 6 5.502 1.892 -1.995 63 H1* G 6 H1* G 6 6.517 -1.146 -0.695 64 H8 G 6 H8 G 6 5.912 -1.401 2.887 65 H1 G 6 H1 G 6 1.077 -4.193 -0.209 66 1H2 G 6 1H2 G 6 1.018 -3.494 -2.349 67 2H2 G 6 2H2 G 6 2.260 -2.463 -3.029 68 1H5* A 7 1H5* A 7 3.812 3.918 -2.128 69 2H5* A 7 2H5* A 7 2.650 5.267 -2.332 70 H4* A 7 H4* A 7 2.001 2.894 -3.177 71 H3* A 7 H3* A 7 0.460 3.936 -0.813 72 1H2* A 7 1H2* A 7 -0.502 2.164 -0.483 73 2HO* A 7 2HO* A 7 -1.279 0.716 -2.040 74 H1* A 7 H1* A 7 1.088 0.673 -2.519 75 H8 A 7 H8 A 7 2.563 0.620 0.865 76 1H6 A 7 1H6 A 7 -1.446 -3.745 2.579 77 2H6 A 7 2H6 A 7 0.073 -2.944 2.938 78 H2 A 7 H2 A 7 -2.793 -2.077 -1.390 79 1H5* G 8 1H5* G 8 -3.810 3.845 -4.986 80 2H5* G 8 2H5* G 8 -3.254 4.334 -3.339 81 H4* G 8 H4* G 8 -4.002 1.493 -4.295 82 H3* G 8 H3* G 8 -5.637 3.550 -2.765 83 1H2* G 8 1H2* G 8 -5.935 2.210 -1.213 84 2HO* G 8 2HO* G 8 -7.609 1.088 -2.694 85 H1* G 8 H1* G 8 -4.459 0.023 -2.684 86 H8 G 8 H8 G 8 -2.464 1.675 -0.057 87 H1 G 8 H1 G 8 -6.039 -2.985 2.480 88 1H2 G 8 1H2 G 8 -7.686 -3.589 0.898 89 2H2 G 8 2H2 G 8 -7.763 -2.814 -0.653 90 1H5* G 9 1H5* G 9 -10.700 2.614 -2.752 91 2H5* G 9 2H5* G 9 -9.249 2.705 -1.707 92 H4* G 9 H4* G 9 -10.960 0.236 -2.489 93 H3* G 9 H3* G 9 -10.706 1.837 0.068 94 1H2* G 9 1H2* G 9 -11.154 -0.101 1.329 95 2HO* G 9 2HO* G 9 -11.558 -2.078 0.215 96 H1* G 9 H1* G 9 -9.280 -1.464 0.091 97 H8 G 9 H8 G 9 -7.761 1.849 -0.533 98 H1 G 9 H1 G 9 -6.878 0.145 5.531 99 1H2 G 9 1H2 G 9 -8.239 -1.541 6.068 100 2H2 G 9 2H2 G 9 -9.350 -2.255 4.926 101 1H5* U 10 1H5* U 10 -14.244 3.396 2.810 102 2H5* U 10 2H5* U 10 -12.512 3.883 2.786 103 H4* U 10 H4* U 10 -13.767 1.106 3.264 104 H3* U 10 H3* U 10 -12.289 3.036 5.083 105 1H2* U 10 1H2* U 10 -11.656 1.124 6.375 106 2HO* U 10 2HO* U 10 -12.259 -0.946 5.188 107 H1* U 10 H1* U 10 -10.573 0.004 4.240 108 H3 U 10 H3 U 10 -7.768 3.105 6.688 109 H5 U 10 H5 U 10 -8.399 4.528 2.777 110 H6 U 10 H6 U 10 -10.130 2.827 2.530 111 1H5* U 11 1H5* U 11 -12.860 1.390 8.208 112 2H5* U 11 2H5* U 11 -14.085 2.261 9.201 113 H4* U 11 H4* U 11 -11.791 1.834 10.283 114 H3* U 11 H3* U 11 -12.484 4.712 9.564 115 1H2* U 11 1H2* U 11 -10.502 5.428 10.566 116 2HO* U 11 2HO* U 11 -10.677 4.097 12.343 117 H1* U 11 H1* U 11 -8.997 3.469 9.514 118 H3 U 11 H3 U 11 -7.424 6.655 6.828 119 H5 U 11 H5 U 11 -11.466 6.375 5.629 120 H6 U 11 H6 U 11 -11.811 4.788 7.412 121 1H5* U 12 1H5* U 12 -12.227 7.435 13.841 122 2H5* U 12 2H5* U 12 -11.812 7.234 12.109 123 H4* U 12 H4* U 12 -10.007 6.871 14.610 124 H3* U 12 H3* U 12 -10.097 8.844 12.366 125 1H2* U 12 1H2* U 12 -7.957 9.391 12.819 126 2HO* U 12 2HO* U 12 -6.800 8.553 14.491 127 H1* U 12 H1* U 12 -7.206 6.870 12.587 128 H3 U 12 H3 U 12 -6.283 9.345 8.816 129 H5 U 12 H5 U 12 -10.390 8.421 8.528 130 H6 U 12 H6 U 12 -10.217 7.519 10.793 131 1H5* A 13 1H5* A 13 -11.181 13.206 12.240 132 2H5* A 13 2H5* A 13 -11.224 12.049 10.865 133 H4* A 13 H4* A 13 -9.671 14.150 10.786 134 H3* A 13 H3* A 13 -8.863 11.769 9.737 135 1H2* A 13 1H2* A 13 -8.363 11.058 11.885 136 2HO* A 13 2HO* A 13 -5.972 11.715 10.467 137 H1* A 13 H1* A 13 -6.649 13.578 12.134 138 H8 A 13 H8 A 13 -8.794 11.134 14.404 139 1H6 A 13 1H6 A 13 -5.607 10.778 18.018 140 2H6 A 13 2H6 A 13 -4.024 11.466 18.315 141 H2 A 13 H2 A 13 -3.019 13.937 14.712 142 1H5* G 14 1H5* G 14 -5.224 12.970 11.040 143 2H5* G 14 2H5* G 14 -4.431 14.548 10.832 144 H4* G 14 H4* G 14 -2.383 13.301 10.273 145 H3* G 14 H3* G 14 -4.125 10.837 10.523 146 1H2* G 14 1H2* G 14 -2.071 9.660 10.944 147 2HO* G 14 2HO* G 14 -0.798 11.181 9.538 148 H1* G 14 H1* G 14 -1.456 11.495 12.795 149 H8 G 14 H8 G 14 -5.269 10.458 12.288 150 H1 G 14 H1 G 14 -2.302 7.819 17.305 151 1H2 G 14 1H2 G 14 -0.155 8.431 17.341 152 2H2 G 14 2H2 G 14 0.526 9.496 16.133 153 1H5* C 15 1H5* C 15 -0.002 9.928 6.197 154 2H5* C 15 2H5* C 15 -1.748 9.688 6.539 155 H4* C 15 H4* C 15 -0.993 8.481 8.574 156 H3* C 15 H3* C 15 1.451 9.566 8.586 157 1H2* C 15 1H2* C 15 1.853 8.942 6.395 158 2HO* C 15 2HO* C 15 3.384 7.085 6.514 159 H1* C 15 H1* C 15 0.885 6.116 7.084 160 1H4 C 15 1H4 C 15 0.895 7.191 0.537 161 2H4 C 15 2H4 C 15 2.002 5.855 0.672 162 H5 C 15 H5 C 15 -0.193 8.255 2.419 163 H6 C 15 H6 C 15 -0.264 8.220 4.990 164 1H5* U 16 1H5* U 16 -0.151 8.035 11.147 165 2H5* U 16 2H5* U 16 0.547 8.753 12.635 166 H4* U 16 H4* U 16 -0.435 6.831 13.857 167 H3* U 16 H3* U 16 -1.045 5.746 11.079 168 1H2* U 16 1H2* U 16 -2.843 4.556 12.176 169 2HO* U 16 2HO* U 16 -1.997 4.070 14.108 170 H1* U 16 H1* U 16 -3.758 6.712 13.205 171 H3 U 16 H3 U 16 -6.178 5.575 9.449 172 H5 U 16 H5 U 16 -2.981 7.867 7.998 173 H6 U 16 H6 U 16 -1.985 7.785 10.184 174 1H5* A 17 1H5* A 17 0.506 0.221 12.152 175 2H5* A 17 2H5* A 17 -0.290 1.133 10.830 176 H4* A 17 H4* A 17 -0.736 1.466 13.870 177 H3* A 17 H3* A 17 -1.845 -0.799 12.641 178 1H2* A 17 1H2* A 17 -2.460 0.395 10.882 179 2HO* A 17 2HO* A 17 -4.819 0.538 11.169 180 H1* A 17 H1* A 17 -3.943 2.294 12.674 181 H8 A 17 H8 A 17 -1.613 3.954 10.343 182 1H6 A 17 1H6 A 17 -5.801 3.855 5.939 183 2H6 A 17 2H6 A 17 -4.308 4.518 6.557 184 H2 A 17 H2 A 17 -7.230 1.152 9.435 185 1H5* C 18 1H5* C 18 -4.603 -3.626 13.620 186 2H5* C 18 2H5* C 18 -3.741 -2.605 12.413 187 H4* C 18 H4* C 18 -6.770 -2.864 12.876 188 H3* C 18 H3* C 18 -5.333 -4.906 11.695 189 1H2* C 18 1H2* C 18 -4.338 -3.510 10.199 190 2HO* C 18 2HO* C 18 -6.661 -4.692 8.960 191 H1* C 18 H1* C 18 -7.134 -2.574 9.681 192 1H4 C 18 1H4 C 18 -4.354 1.346 5.432 193 2H4 C 18 2H4 C 18 -2.859 1.379 6.342 194 H5 C 18 H5 C 18 -2.588 0.221 8.457 195 H6 C 18 H6 C 18 -3.676 -1.264 10.073 196 1H5* A 19 1H5* A 19 -9.707 -3.701 10.719 197 2H5* A 19 2H5* A 19 -11.253 -4.555 11.037 198 H4* A 19 H4* A 19 -10.519 -4.227 8.616 199 H3* A 19 H3* A 19 -11.457 -6.640 9.639 200 1H2* A 19 1H2* A 19 -9.333 -7.533 9.819 201 2HO* A 19 2HO* A 19 -9.983 -8.161 7.091 202 H1* A 19 H1* A 19 -8.930 -6.345 7.057 203 H8 A 19 H8 A 19 -6.742 -6.998 10.312 204 1H6 A 19 1H6 A 19 -2.539 -9.101 6.286 205 2H6 A 19 2H6 A 19 -2.884 -8.775 7.970 206 H2 A 19 H2 A 19 -6.183 -7.855 3.974 207 1H5* C 20 1H5* C 20 -12.832 -2.520 5.445 208 2H5* C 20 2H5* C 20 -13.956 -3.912 5.396 209 H4* C 20 H4* C 20 -12.417 -3.538 3.392 210 H3* C 20 H3* C 20 -12.589 -6.026 4.748 211 1H2* C 20 1H2* C 20 -10.526 -5.861 5.608 212 2HO* C 20 2HO* C 20 -9.916 -6.771 2.973 213 H1* C 20 H1* C 20 -9.892 -4.611 2.926 214 1H4 C 20 1H4 C 20 -3.896 -3.706 4.528 215 2H4 C 20 2H4 C 20 -4.217 -3.770 6.254 216 H5 C 20 H5 C 20 -6.523 -3.799 7.144 217 H6 C 20 H6 C 20 -8.866 -4.141 6.515 218 1H5* U 21 1H5* U 21 -10.284 -7.721 0.104 219 2H5* U 21 2H5* U 21 -8.734 -7.570 1.001 220 H4* U 21 H4* U 21 -9.808 -5.797 -1.283 221 H3* U 21 H3* U 21 -8.885 -8.291 -1.752 222 1H2* U 21 1H2* U 21 -7.080 -8.011 -0.446 223 2HO* U 21 2HO* U 21 -5.439 -7.324 -2.561 224 H1* U 21 H1* U 21 -6.429 -5.462 -1.969 225 H3 U 21 H3 U 21 -3.130 -3.802 0.578 226 H5 U 21 H5 U 21 -4.686 -6.810 3.038 227 H6 U 21 H6 U 21 -6.370 -7.245 1.366 228 1H5* C 22 1H5* C 22 -5.935 -6.126 -5.726 229 2H5* C 22 2H5* C 22 -6.096 -7.238 -4.316 230 H4* C 22 H4* C 22 -4.133 -4.910 -4.747 231 H3* C 22 H3* C 22 -3.839 -7.888 -5.125 232 1H2* C 22 1H2* C 22 -2.545 -8.042 -3.500 233 2HO* C 22 2HO* C 22 -0.973 -6.657 -5.359 234 H1* C 22 H1* C 22 -2.235 -5.023 -3.576 235 1H4 C 22 1H4 C 22 0.495 -5.712 2.135 236 2H4 C 22 2H4 C 22 -0.490 -7.101 2.565 237 H5 C 22 H5 C 22 -2.132 -8.059 1.006 238 H6 C 22 H6 C 22 -3.137 -7.825 -1.211 239 1H5* G 23 1H5* G 23 0.400 -6.831 -8.571 240 2H5* G 23 2H5* G 23 -0.413 -7.340 -7.057 241 H4* G 23 H4* G 23 1.598 -5.018 -7.420 242 H3* G 23 H3* G 23 2.099 -7.739 -6.120 243 1H2* G 23 1H2* G 23 3.654 -7.027 -5.098 244 2HO* G 23 2HO* G 23 4.717 -5.698 -6.842 245 H1* G 23 H1* G 23 2.726 -4.505 -4.923 246 H8 G 23 H8 G 23 0.490 -7.207 -3.299 247 H1 G 23 H1 G 23 5.370 -5.229 0.349 248 1H2 G 23 1H2 G 23 6.707 -3.872 -0.856 249 2H2 G 23 2H2 G 23 6.413 -3.553 -2.559 250 1H5* U 24 1H5* U 24 5.877 -4.305 -8.485 251 2H5* U 24 2H5* U 24 6.724 -5.542 -9.482 252 H4* U 24 H4* U 24 8.110 -4.277 -7.714 253 H3* U 24 H3* U 24 7.574 -7.158 -6.886 254 1H2* U 24 1H2* U 24 9.188 -6.802 -5.245 255 2HO* U 24 2HO* U 24 10.713 -5.482 -5.584 256 H1* U 24 H1* U 24 8.152 -4.352 -4.625 257 H3 U 24 H3 U 24 7.562 -7.217 -1.069 258 H5 U 24 H5 U 24 4.507 -8.251 -3.725 259 H6 U 24 H6 U 24 5.451 -6.758 -5.363 260 1H5* G 25 1H5* G 25 11.771 -6.335 -7.035 261 2H5* G 25 2H5* G 25 12.659 -7.772 -7.656 262 H4* G 25 H4* G 25 13.563 -6.684 -5.536 263 H3* G 25 H3* G 25 12.196 -9.341 -4.932 264 1H2* G 25 1H2* G 25 13.292 -9.091 -2.777 265 2HO* G 25 2HO* G 25 15.163 -7.955 -3.676 266 H1* G 25 H1* G 25 12.220 -6.686 -2.511 267 H8 G 25 H8 G 25 9.720 -8.606 -4.683 268 H1 G 25 H1 G 25 9.298 -10.111 1.511 269 1H2 G 25 1H2 G 25 11.103 -9.320 2.621 270 2H2 G 25 2H2 G 25 12.326 -8.332 1.845 271 1H5* C 26 1H5* C 26 15.960 -9.568 -3.102 272 2H5* C 26 2H5* C 26 16.771 -11.131 -3.484 273 H4* C 26 H4* C 26 16.519 -10.459 -0.985 274 H3* C 26 H3* C 26 14.810 -12.838 -1.884 275 1H2* C 26 1H2* C 26 14.140 -13.076 0.393 276 2HO* C 26 2HO* C 26 15.892 -10.849 0.853 277 H1* C 26 H1* C 26 13.458 -10.521 0.574 278 1H4 C 26 1H4 C 26 8.385 -13.570 -1.790 279 2H4 C 26 2H4 C 26 8.806 -13.120 -3.436 280 H5 C 26 H5 C 26 10.943 -11.978 -3.942 281 H6 C 26 H6 C 26 12.992 -11.099 -2.961 282 1H5* C 27 1H5* C 27 15.633 -14.118 1.579 283 2H5* C 27 2H5* C 27 16.832 -15.457 1.664 284 H4* C 27 H4* C 27 14.627 -15.674 3.024 285 H3* C 27 H3* C 27 15.172 -17.528 0.756 286 1H2* C 27 1H2* C 27 13.263 -18.006 0.315 287 2HO* C 27 2HO* C 27 11.784 -18.864 1.984 288 H1* C 27 H1* C 27 12.096 -16.504 2.673 289 1H4 C 27 1H4 C 27 7.419 -17.102 -1.691 290 2H4 C 27 2H4 C 27 8.334 -16.166 -2.860 291 H5 C 27 H5 C 27 10.599 -15.400 -2.422 292 H6 C 27 H6 C 27 12.414 -15.376 -0.803 293 H3T C 27 H3T C 27 16.288 -17.840 2.745 294 H1 TOA 28 H1 TOA 28 -2.048 5.835 1.976 295 H2 TOA 28 H2 TOA 28 -0.153 4.261 1.780 296 H3 TOA 28 H3 TOA 28 -2.206 2.241 2.702 297 H4 TOA 28 H4 TOA 28 0.340 3.279 4.012 298 H5 TOA 28 H5 TOA 28 -2.605 3.576 4.766 299 1H6 TOA 28 1H6 TOA 28 -0.089 4.720 6.020 300 2H6 TOA 28 2H6 TOA 28 -1.766 5.120 6.500 301 HO2 TOA 28 HO2 TOA 28 -1.664 4.545 -0.059 302 HO4 TOA 28 HO4 TOA 28 -0.431 1.914 5.883 303 HO6 TOA 28 HO6 TOA 28 -0.728 3.479 7.970 304 1HN3 TOA 28 1H3 TOA 28 -0.138 0.798 2.685 305 2HN3 TOA 28 2H3 TOA 28 -0.797 1.184 1.173 306 3HN3 TOA 28 3H3 TOA 28 0.578 1.999 1.719 307 H1 TOB 29 H1 TOB 29 -6.018 4.163 2.606 308 1H2 TOB 29 1H2 TOB 29 -6.089 6.223 0.397 309 2H2 TOB 29 2H2 TOB 29 -7.518 5.218 0.895 310 H3 TOB 29 H3 TOB 29 -7.378 6.246 3.178 311 1H4 TOB 29 H4 TOB 29 -5.259 7.995 1.871 312 H5 TOB 29 H5 TOB 29 -5.021 5.958 4.142 313 H6 TOB 29 H6 TOB 29 -3.967 5.973 1.292 314 1HN1 TOB 29 1H1 TOB 29 -4.591 3.023 1.070 315 2HN1 TOB 29 2H1 TOB 29 -6.064 3.280 0.305 316 3HN1 TOB 29 3H1 TOB 29 -4.730 4.247 -0.083 317 1HN3 TOB 29 1H3 TOB 29 -7.573 8.310 1.072 318 2HN3 TOB 29 2H3 TOB 29 -8.779 7.181 1.463 319 3HN3 TOB 29 3H3 TOB 29 -8.272 8.291 2.637 320 HO5 TOB 29 HO5 TOB 29 -2.695 6.500 4.073 321 H1 TOC 30 H1 TOC 30 -4.078 9.230 3.950 322 H2 TOC 30 H2 TOC 30 -4.787 11.165 5.275 323 1H3 TOC 30 1H3 TOC 30 -7.527 10.045 5.051 324 2H3 TOC 30 2H3 TOC 30 -7.082 11.440 6.060 325 H4 TOC 30 H4 TOC 30 -6.289 12.551 4.027 326 H5 TOC 30 H5 TOC 30 -7.349 10.082 2.581 327 1H6 TOC 30 1H6 TOC 30 -6.441 11.116 0.531 328 2H6 TOC 30 2H6 TOC 30 -7.708 12.148 1.255 329 1HN2 TOC 30 1H2 TOC 30 -4.197 9.320 6.545 330 2HN2 TOC 30 2H2 TOC 30 -5.561 10.031 7.239 331 3HN2 TOC 30 3H2 TOC 30 -5.713 8.574 6.349 332 1HN6 TOC 30 1H6 TOC 30 -5.993 13.497 2.249 333 2HN6 TOC 30 2H6 TOC 30 -4.781 12.508 1.588 334 3HN6 TOC 30 3H6 TOC 30 -5.788 13.421 0.566 335 HO4 TOC 30 HO4 TOC 30 -8.561 12.811 4.710 No H/Q in entry = 335
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