NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
4870 | 1fzl | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* C 1 1H5* C 1 4.419 -15.698 -9.248 2 2H5* C 1 2H5* C 1 4.771 -14.378 -10.377 3 H4* C 1 H4* C 1 2.470 -15.184 -10.658 4 H3* C 1 H3* C 1 3.138 -12.548 -10.557 5 H1* C 1 H1* C 1 0.112 -13.912 -9.021 6 1H4 C 1 H41 C 1 -0.136 -14.279 -2.264 7 2H4 C 1 H42 C 1 -1.757 -14.595 -2.849 8 H5 C 1 H5 C 1 1.753 -13.808 -3.795 9 H6 C 1 H6 C 1 2.496 -13.567 -6.038 10 1H2* C 1 1H2* C 1 2.691 -12.415 -8.274 11 2H2* C 1 2H2* C 1 1.197 -11.681 -8.940 12 H5T C 1 H5T C 1 4.421 -12.919 -8.658 13 1H5* A 2 1H5* A 2 -1.918 -13.100 -11.501 14 2H5* A 2 2H5* A 2 -1.967 -11.700 -12.587 15 H4* A 2 H4* A 2 -4.009 -11.766 -11.421 16 H3* A 2 H3* A 2 -2.363 -9.508 -11.321 17 H1* A 2 H1* A 2 -4.937 -10.805 -8.630 18 H8 A 2 H8 A 2 -1.245 -11.175 -7.349 19 1H6 A 2 H61 A 2 -3.566 -12.953 -2.000 20 2H6 A 2 H62 A 2 -2.135 -12.487 -2.902 21 H2 A 2 H2 A 2 -7.073 -12.184 -4.897 22 1H2* A 2 1H2* A 2 -2.090 -9.784 -8.947 23 2H2* A 2 2H2* A 2 -3.569 -8.745 -8.931 24 1H5* C 3 1H5* C 3 -6.662 -9.601 -10.122 25 2H5* C 3 2H5* C 3 -7.658 -8.176 -10.485 26 H4* C 3 H4* C 3 -8.109 -8.999 -8.224 27 H3* C 3 H3* C 3 -7.700 -6.376 -8.866 28 H1* C 3 H1* C 3 -6.601 -8.112 -5.883 29 1H4 C 3 H41 C 3 -0.512 -8.645 -3.424 30 2H4 C 3 H42 C 3 -1.676 -9.483 -2.397 31 H5 C 3 H5 C 3 -1.316 -7.500 -5.572 32 H6 C 3 H6 C 3 -3.225 -7.041 -7.009 33 1H2* C 3 1H2* C 3 -5.419 -6.527 -8.263 34 2H2* C 3 2H2* C 3 -6.111 -5.677 -6.843 35 1H5* A 4 1H5* A 4 -11.057 -7.326 -5.565 36 2H5* A 4 2H5* A 4 -11.905 -5.808 -5.910 37 H4* A 4 H4* A 4 -12.700 -6.857 -3.828 38 H3* A 4 H3* A 4 -12.324 -4.209 -4.007 39 H1* A 4 H1* A 4 -10.660 -5.996 -1.009 40 H8 A 4 H8 A 4 -8.348 -5.612 -4.078 41 1H6 A 4 H61 A 4 -3.629 -7.575 -0.571 42 2H6 A 4 H62 A 4 -4.112 -7.042 -2.172 43 H2 A 4 H2 A 4 -7.483 -7.637 1.914 44 1H2* A 4 1H2* A 4 -10.004 -4.408 -3.515 45 2H2* A 4 2H2* A 4 -10.659 -3.754 -1.965 46 1H5* A 5 1H5* A 5 -12.524 -5.042 0.650 47 2H5* A 5 2H5* A 5 -13.357 -3.666 1.396 48 H4* A 5 H4* A 5 -11.364 -4.203 2.620 49 H3* A 5 H3* A 5 -11.613 -1.519 1.426 50 H1* A 5 H1* A 5 -8.835 -3.696 2.741 51 H8 A 5 H8 A 5 -8.136 -3.115 -1.135 52 1H6 A 5 H61 A 5 -2.348 -4.875 0.038 53 2H6 A 5 H62 A 5 -3.482 -4.315 -1.181 54 H2 A 5 H2 A 5 -4.696 -4.857 3.985 55 1H2* A 5 1H2* A 5 -9.514 -1.722 0.598 56 2H2* A 5 2H2* A 5 -9.061 -1.292 2.323 57 1H5* A 6 1H5* A 6 -9.661 -1.876 5.684 58 2H5* A 6 2H5* A 6 -10.101 -0.430 6.615 59 H4* A 6 H4* A 6 -7.775 -1.011 6.958 60 H3* A 6 H3* A 6 -8.538 1.595 6.065 61 H1* A 6 H1* A 6 -5.300 -0.507 5.527 62 H8 A 6 H8 A 6 -7.176 -0.028 2.041 63 1H6 A 6 H61 A 6 -1.885 -1.962 -0.484 64 2H6 A 6 H62 A 6 -3.534 -1.430 -0.801 65 H2 A 6 H2 A 6 -1.370 -1.882 4.054 66 1H2* A 6 1H2* A 6 -7.314 1.292 4.099 67 2H2* A 6 2H2* A 6 -5.983 1.936 5.157 68 1H5* C 7 1H5* C 7 -4.415 0.663 8.430 69 2H5* C 7 2H5* C 7 -4.220 2.056 9.509 70 H4* C 7 H4* C 7 -2.052 1.206 8.780 71 H3* C 7 H3* C 7 -2.657 3.835 8.886 72 H1* C 7 H1* C 7 -0.787 2.427 6.036 73 1H4 C 7 H41 C 7 -4.214 2.031 0.219 74 2H4 C 7 H42 C 7 -2.602 1.360 -0.019 75 H5 C 7 H5 C 7 -4.861 3.006 2.479 76 H6 C 7 H6 C 7 -4.222 3.288 4.789 77 1H2* C 7 1H2* C 7 -3.438 3.796 6.595 78 2H2* C 7 2H2* C 7 -1.825 4.598 6.427 79 1H5* A 8 1H5* A 8 2.051 2.530 8.957 80 2H5* A 8 2H5* A 8 2.709 3.860 9.931 81 H4* A 8 H4* A 8 4.459 2.839 8.575 82 H3* A 8 H3* A 8 4.161 5.510 8.788 83 H1* A 8 H1* A 8 4.738 3.946 5.341 84 H8 A 8 H8 A 8 0.890 4.309 6.003 85 1H6 A 8 H61 A 8 0.031 3.529 -0.098 86 2H6 A 8 H62 A 8 -0.765 3.813 1.443 87 H2 A 8 H2 A 8 4.515 3.416 0.796 88 1H2* A 8 1H2* A 8 2.679 5.552 6.901 89 2H2* A 8 2H2* A 8 4.189 6.220 6.185 90 1H5* PYP 9 1H5* PYP 9 7.304 4.229 5.717 91 2H5* PYP 9 2H5* PYP 9 8.853 5.037 6.027 92 H4* PYP 9 H4* PYP 9 8.538 4.565 3.656 93 H1* PYP 9 H1* PYP 9 7.000 6.313 1.559 94 H1 PYP 9 H1 PYP 9 5.276 7.615 4.693 95 H2 PYP 9 H2 PYP 9 2.785 7.580 4.857 96 H3 PYP 9 H3 PYP 9 0.594 7.365 3.800 97 H4 PYP 9 H4 PYP 9 -0.804 7.048 1.740 98 H5 PYP 9 H5 PYP 9 -0.960 6.706 -0.668 99 H6 PYP 9 H6 PYP 9 0.125 6.436 -2.933 100 H7 PYP 9 H7 PYP 9 2.670 6.484 -3.079 101 H8 PYP 9 H8 PYP 9 4.830 6.674 -2.054 102 H9 PYP 9 H9 PYP 9 6.234 6.990 -0.054 103 2H2* PYP 9 2H2* PYP 9 8.036 8.423 2.648 104 1H2* PYP 9 1H2* PYP 9 7.224 7.941 4.181 105 H3* PYP 9 H3* PYP 9 9.402 7.022 4.604 106 1H5* G 10 1H5* G 10 9.265 7.028 -0.222 107 2H5* G 10 2H5* G 10 10.542 8.131 -0.751 108 H4* G 10 H4* G 10 8.461 8.595 -1.895 109 H3* G 10 H3* G 10 9.825 10.694 -0.493 110 H1* G 10 H1* G 10 6.318 10.131 -1.519 111 H8 G 10 H8 G 10 6.033 10.379 2.412 112 H1 G 10 H1 G 10 0.560 10.480 -0.844 113 1H2 G 10 H21 G 10 2.562 10.141 -3.773 114 2H2 G 10 H22 G 10 0.937 10.291 -3.106 115 1H2* G 10 1H2* G 10 7.911 10.951 0.901 116 2H2* G 10 2H2* G 10 7.478 12.096 -0.447 117 1H5* C 11 1H5* C 11 7.702 10.978 -4.812 118 2H5* C 11 2H5* C 11 8.544 12.262 -5.702 119 H4* C 11 H4* C 11 6.271 11.886 -6.566 120 H3* C 11 H3* C 11 7.313 14.393 -6.010 121 H1* C 11 H1* C 11 3.737 13.286 -5.486 122 1H4 C 11 H41 C 11 2.570 13.622 1.227 123 2H4 C 11 H42 C 11 1.022 13.835 0.412 124 H5 C 11 H5 C 11 4.714 13.475 -0.077 125 H6 C 11 H6 C 11 5.718 13.325 -2.289 126 1H2* C 11 1H2* C 11 6.074 14.574 -4.012 127 2H2* C 11 2H2* C 11 4.984 15.446 -5.142 128 1H5* A 12 1H5* A 12 3.449 14.513 -8.871 129 2H5* A 12 2H5* A 12 3.698 15.805 -10.058 130 H4* A 12 H4* A 12 1.353 15.617 -9.369 131 H3* A 12 H3* A 12 2.767 18.104 -9.328 132 H1* A 12 H1* A 12 -0.170 16.656 -7.056 133 H8 A 12 H8 A 12 3.109 17.426 -4.998 134 1H6 A 12 H61 A 12 -0.525 16.787 -0.018 135 2H6 A 12 H62 A 12 1.100 17.170 -0.572 136 H2 A 12 H2 A 12 -3.049 16.175 -3.774 137 1H2* A 12 1H2* A 12 2.504 18.201 -7.005 138 2H2* A 12 2H2* A 12 0.944 19.005 -7.449 139 1H5* C 13 1H5* C 13 -1.793 17.417 -9.106 140 2H5* C 13 2H5* C 13 -2.577 18.512 -10.258 141 H4* C 13 H4* C 13 -4.076 17.934 -8.408 142 H3* C 13 H3* C 13 -3.763 20.502 -9.340 143 H1* C 13 H1* C 13 -3.959 19.782 -5.729 144 1H4 C 13 H41 C 13 2.045 21.012 -2.754 145 2H4 C 13 H42 C 13 0.827 20.629 -1.538 146 H5 C 13 H5 C 13 1.303 21.313 -5.196 147 H6 C 13 H6 C 13 -0.426 20.952 -6.790 148 H3T C 13 H3T C 13 -5.321 19.675 -7.067 149 1H2* C 13 1H2* C 13 -2.087 20.933 -7.848 150 2H2* C 13 2H2* C 13 -3.470 21.810 -7.079 151 1H5* G 14 1H5* G 14 -5.078 23.244 6.930 152 2H5* G 14 2H5* G 14 -6.138 21.923 7.458 153 H4* G 14 H4* G 14 -7.102 23.167 5.567 154 H3* G 14 H3* G 14 -7.199 20.493 5.743 155 H1* G 14 H1* G 14 -5.994 22.255 2.384 156 H8 G 14 H8 G 14 -2.725 22.670 4.257 157 H1 G 14 H1 G 14 -2.210 19.962 -1.489 158 1H2 G 14 H21 G 14 -5.756 19.609 -1.281 159 2H2 G 14 H22 G 14 -4.336 19.466 -2.341 160 1H2* G 14 1H2* G 14 -5.087 20.265 4.579 161 2H2* G 14 2H2* G 14 -6.212 19.878 3.236 162 H5T G 14 H5T G 14 -3.980 21.564 5.651 163 1H5* T 15 1H5* T 15 -8.840 21.126 1.042 164 2H5* T 15 2H5* T 15 -10.345 20.214 1.250 165 H4* T 15 H4* T 15 -9.376 19.721 -0.896 166 H3* T 15 H3* T 15 -10.124 17.685 0.881 167 1H2* T 15 1H2* T 15 -7.935 17.187 1.354 168 2H2* T 15 2H2* T 15 -8.247 15.972 0.050 169 H1* T 15 H1* T 15 -7.348 17.632 -1.601 170 H3 T 15 H3 T 15 -2.970 16.397 -1.209 171 1H5M T 15 H51 T 15 -3.913 18.768 3.339 172 2H5M T 15 H52 T 15 -4.485 17.143 3.780 173 3H5M T 15 H53 T 15 -2.789 17.397 3.318 174 H6 T 15 H6 T 15 -6.163 18.092 1.932 175 1H5* G 16 1H5* G 16 -8.857 15.981 -3.555 176 2H5* G 16 2H5* G 16 -10.108 14.751 -3.807 177 H4* G 16 H4* G 16 -8.029 13.932 -4.621 178 H3* G 16 H3* G 16 -9.440 12.483 -2.609 179 H1* G 16 H1* G 16 -5.665 12.683 -3.629 180 H8 G 16 H8 G 16 -6.027 13.632 0.200 181 H1 G 16 H1 G 16 -0.091 13.580 -2.153 182 1H2 G 16 H21 G 16 -1.595 12.854 -5.294 183 2H2 G 16 H22 G 16 -0.101 13.265 -4.460 184 1H2* G 16 1H2* G 16 -7.529 12.687 -1.213 185 2H2* G 16 2H2* G 16 -7.039 11.174 -2.082 186 1H5* C 17 1H5* C 17 -6.247 11.637 -5.664 187 2H5* C 17 2H5* C 17 -6.509 10.141 -6.578 188 H4* C 17 H4* C 17 -4.146 10.824 -6.563 189 H3* C 17 H3* C 17 -4.936 8.248 -6.258 190 H1* C 17 H1* C 17 -2.208 9.886 -4.415 191 1H4 C 17 H41 C 17 -2.627 10.117 2.306 192 2H4 C 17 H42 C 17 -0.973 10.434 1.781 193 H5 C 17 H5 C 17 -4.410 9.553 0.592 194 H6 C 17 H6 C 17 -4.976 9.426 -1.709 195 1H2* C 17 1H2* C 17 -4.974 8.434 -3.852 196 2H2* C 17 2H2* C 17 -3.408 7.605 -4.111 197 1H5* 3DR 18 1H5* 3DR 18 -0.777 9.083 -8.722 198 2H5* 3DR 18 2H5* 3DR 18 -0.999 7.394 -9.220 199 1H4* 3DR 18 1H4* 3DR 18 1.178 8.283 -9.933 200 H3* 3DR 18 H3* 3DR 18 0.828 5.789 -8.779 201 1H2* 3DR 18 1H2* 3DR 18 1.387 6.615 -6.427 202 2H2* 3DR 18 2H2* 3DR 18 2.891 5.849 -6.974 203 1H1* 3DR 18 1H1* 3DR 18 3.701 7.926 -7.913 204 2H1* 3DR 18 2H1* 3DR 18 3.008 8.415 -6.344 205 1H5* T 19 1H5* T 19 5.059 6.242 -8.075 206 2H5* T 19 2H5* T 19 6.033 4.998 -8.870 207 H4* T 19 H4* T 19 6.719 5.348 -6.541 208 H3* T 19 H3* T 19 6.343 2.862 -7.681 209 1H2* T 19 1H2* T 19 4.244 2.609 -6.547 210 2H2* T 19 2H2* T 19 5.338 1.699 -5.430 211 H1* T 19 H1* T 19 5.669 3.797 -4.156 212 H3 T 19 H3 T 19 2.415 3.556 -1.115 213 1H5M T 19 H51 T 19 0.011 2.185 -5.592 214 2H5M T 19 H52 T 19 -0.945 2.945 -4.315 215 3H5M T 19 H53 T 19 -0.286 3.932 -5.637 216 H6 T 19 H6 T 19 2.381 3.409 -5.914 217 1H5* G 20 1H5* G 20 7.772 2.475 -3.234 218 2H5* G 20 2H5* G 20 8.951 1.153 -3.151 219 H4* G 20 H4* G 20 7.455 1.005 -1.311 220 H3* G 20 H3* G 20 7.572 -1.195 -3.200 221 H1* G 20 H1* G 20 5.239 0.011 -0.566 222 H8 G 20 H8 G 20 3.007 0.260 -3.900 223 H1 G 20 H1 G 20 -0.135 0.640 1.622 224 1H2 G 20 H21 G 20 3.001 0.119 3.225 225 2H2 G 20 H22 G 20 1.309 0.578 3.435 226 1H2* G 20 1H2* G 20 5.256 -1.210 -3.297 227 2H2* G 20 2H2* G 20 5.497 -2.176 -1.760 228 1H5* T 21 1H5* T 21 7.435 -1.242 1.560 229 2H5* T 21 2H5* T 21 8.328 -2.654 2.151 230 H4* T 21 H4* T 21 6.630 -1.909 3.745 231 H3* T 21 H3* T 21 6.949 -4.564 3.000 232 1H2* T 21 1H2* T 21 4.991 -4.469 1.675 233 2H2* T 21 2H2* T 21 4.275 -5.132 3.191 234 H1* T 21 H1* T 21 3.687 -2.713 3.839 235 H3 T 21 H3 T 21 -0.310 -2.369 1.745 236 1H5M T 21 H51 T 21 3.068 -2.637 -2.238 237 2H5M T 21 H52 T 21 2.837 -4.375 -1.945 238 3H5M T 21 H53 T 21 1.458 -3.369 -2.418 239 H6 T 21 H6 T 21 4.104 -3.394 0.191 240 1H5* T 22 1H5* T 22 4.080 -3.740 6.922 241 2H5* T 22 2H5* T 22 4.538 -5.058 8.013 242 H4* T 22 H4* T 22 2.184 -4.525 8.258 243 H3* T 22 H3* T 22 3.109 -7.130 7.859 244 1H2* T 22 1H2* T 22 2.214 -7.124 5.670 245 2H2* T 22 2H2* T 22 0.820 -7.872 6.519 246 H1* T 22 H1* T 22 -0.216 -5.466 6.642 247 H3 T 22 H3 T 22 -2.267 -5.087 2.661 248 1H5M T 22 H51 T 22 1.505 -6.308 0.248 249 2H5M T 22 H52 T 22 2.773 -5.681 1.321 250 3H5M T 22 H53 T 22 2.282 -7.382 1.435 251 H6 T 22 H6 T 22 2.215 -6.305 3.855 252 1H5* T 23 1H5* T 23 -1.563 -6.692 8.919 253 2H5* T 23 2H5* T 23 -1.942 -8.098 9.932 254 H4* T 23 H4* T 23 -3.754 -7.652 8.468 255 H3* T 23 H3* T 23 -2.290 -10.181 8.015 256 1H2* T 23 1H2* T 23 -2.471 -10.130 6.026 257 2H2* T 23 2H2* T 23 -4.236 -10.487 6.177 258 H1* T 23 H1* T 23 -4.740 -8.105 6.109 259 H3 T 23 H3 T 23 -4.553 -7.612 1.585 260 1H5M T 23 H51 T 23 -0.114 -9.266 1.445 261 2H5M T 23 H52 T 23 0.402 -8.758 3.100 262 3H5M T 23 H53 T 23 -0.306 -10.350 2.843 263 H6 T 23 H6 T 23 -1.352 -9.109 4.809 264 1H5* G 24 1H5* G 24 -6.782 -9.758 6.925 265 2H5* G 24 2H5* G 24 -7.663 -11.145 7.590 266 H4* G 24 H4* G 24 -8.467 -10.738 5.372 267 H3* G 24 H3* G 24 -7.474 -13.228 6.165 268 H1* G 24 H1* G 24 -7.564 -11.713 2.749 269 H8 G 24 H8 G 24 -3.795 -12.053 3.694 270 H1 G 24 H1 G 24 -4.727 -10.032 -2.270 271 1H2 G 24 H21 G 24 -8.208 -10.049 -1.528 272 2H2 G 24 H22 G 24 -6.956 -9.796 -2.745 273 1H2* G 24 1H2* G 24 -5.610 -12.953 4.691 274 2H2* G 24 2H2* G 24 -6.768 -13.893 3.653 275 1H5* T 25 1H5* T 25 -11.242 -12.825 3.489 276 2H5* T 25 2H5* T 25 -12.336 -14.220 3.474 277 H4* T 25 H4* T 25 -12.333 -12.955 1.340 278 H3* T 25 H3* T 25 -12.314 -15.679 1.464 279 1H2* T 25 1H2* T 25 -9.900 -15.751 1.186 280 2H2* T 25 2H2* T 25 -10.470 -16.085 -0.511 281 H1* T 25 H1* T 25 -10.379 -13.660 -0.958 282 H3 T 25 H3 T 25 -6.165 -13.178 -2.428 283 1H5M T 25 H51 T 25 -5.222 -14.387 2.511 284 2H5M T 25 H52 T 25 -5.649 -16.041 2.002 285 3H5M T 25 H53 T 25 -4.278 -15.194 1.262 286 H6 T 25 H6 T 25 -7.919 -14.883 1.705 287 1H5* G 26 1H5* G 26 -11.840 -14.141 -3.343 288 2H5* G 26 2H5* G 26 -12.940 -15.330 -4.058 289 H4* G 26 H4* G 26 -11.085 -15.044 -5.532 290 H3* G 26 H3* G 26 -11.888 -17.555 -4.749 291 H1* G 26 H1* G 26 -8.545 -16.570 -5.498 292 H8 G 26 H8 G 26 -7.943 -17.410 -1.777 293 H1 G 26 H1 G 26 -2.919 -15.006 -4.900 294 1H2 G 26 H21 G 26 -5.132 -14.401 -7.575 295 2H2 G 26 H22 G 26 -3.470 -14.347 -7.000 296 H3T G 26 H3T G 26 -10.617 -18.257 -6.502 297 1H2* G 26 1H2* G 26 -10.042 -17.547 -3.051 298 2H2* G 26 2H2* G 26 -9.417 -18.598 -4.386 Start of MODEL 2 1 1H5* C 1 1H5* C 1 4.909 -13.838 -10.538 2 2H5* C 1 2H5* C 1 5.117 -12.299 -11.390 3 H4* C 1 H4* C 1 3.101 -13.488 -12.165 4 H3* C 1 H3* C 1 3.133 -10.832 -11.716 5 H1* C 1 H1* C 1 0.271 -12.909 -10.509 6 1H4 C 1 H41 C 1 0.533 -14.048 -3.813 7 2H4 C 1 H42 C 1 -1.162 -14.086 -4.273 8 H5 C 1 H5 C 1 2.329 -13.660 -5.491 9 H6 C 1 H6 C 1 2.865 -13.159 -7.785 10 1H2* C 1 1H2* C 1 2.484 -11.182 -9.357 11 2H2* C 1 2H2* C 1 0.960 -10.607 -10.135 12 H5T C 1 H5T C 1 4.256 -11.250 -9.576 13 1H5* A 2 1H5* A 2 -1.731 -11.434 -12.284 14 2H5* A 2 2H5* A 2 -2.038 -9.904 -13.125 15 H4* A 2 H4* A 2 -3.622 -10.065 -11.434 16 H3* A 2 H3* A 2 -1.653 -7.938 -11.229 17 H1* A 2 H1* A 2 -4.173 -9.742 -8.788 18 H8 A 2 H8 A 2 -0.459 -9.957 -7.620 19 1H6 A 2 H61 A 2 -2.567 -12.579 -2.481 20 2H6 A 2 H62 A 2 -1.166 -11.934 -3.320 21 H2 A 2 H2 A 2 -6.138 -11.672 -5.221 22 1H2* A 2 1H2* A 2 -1.454 -8.403 -8.946 23 2H2* A 2 2H2* A 2 -3.012 -7.515 -8.782 24 1H5* C 3 1H5* C 3 -5.748 -8.446 -10.089 25 2H5* C 3 2H5* C 3 -6.923 -7.126 -10.259 26 H4* C 3 H4* C 3 -7.349 -8.413 -8.223 27 H3* C 3 H3* C 3 -7.317 -5.690 -8.358 28 H1* C 3 H1* C 3 -6.056 -7.725 -5.666 29 1H4 C 3 H41 C 3 0.038 -7.802 -3.127 30 2H4 C 3 H42 C 3 -1.016 -8.884 -2.211 31 H5 C 3 H5 C 3 -0.865 -6.553 -5.142 32 H6 C 3 H6 C 3 -2.815 -6.151 -6.559 33 1H2* C 3 1H2* C 3 -5.052 -5.654 -7.735 34 2H2* C 3 2H2* C 3 -5.828 -5.117 -6.221 35 1H5* A 4 1H5* A 4 -10.477 -7.728 -5.326 36 2H5* A 4 2H5* A 4 -11.589 -6.356 -5.464 37 H4* A 4 H4* A 4 -12.164 -7.811 -3.563 38 H3* A 4 H3* A 4 -12.258 -5.139 -3.357 39 H1* A 4 H1* A 4 -10.267 -7.009 -0.618 40 H8 A 4 H8 A 4 -8.087 -5.748 -3.550 41 1H6 A 4 H61 A 4 -3.079 -7.581 -0.375 42 2H6 A 4 H62 A 4 -3.653 -6.809 -1.846 43 H2 A 4 H2 A 4 -6.849 -8.645 2.003 44 1H2* A 4 1H2* A 4 -9.942 -5.001 -2.876 45 2H2* A 4 2H2* A 4 -10.665 -4.681 -1.256 46 1H5* A 5 1H5* A 5 -12.280 -6.697 1.123 47 2H5* A 5 2H5* A 5 -13.282 -5.589 2.076 48 H4* A 5 H4* A 5 -11.202 -5.997 3.194 49 H3* A 5 H3* A 5 -11.884 -3.222 2.423 50 H1* A 5 H1* A 5 -8.776 -5.120 3.383 51 H8 A 5 H8 A 5 -8.242 -3.825 -0.333 52 1H6 A 5 H61 A 5 -2.226 -4.889 0.661 53 2H6 A 5 H62 A 5 -3.419 -4.312 -0.493 54 H2 A 5 H2 A 5 -4.549 -5.881 4.480 55 1H2* A 5 1H2* A 5 -9.824 -3.000 1.540 56 2H2* A 5 2H2* A 5 -9.403 -2.725 3.302 57 1H5* A 6 1H5* A 6 -10.087 -3.791 6.774 58 2H5* A 6 2H5* A 6 -10.594 -2.471 7.844 59 H4* A 6 H4* A 6 -8.192 -2.957 7.972 60 H3* A 6 H3* A 6 -9.165 -0.268 7.489 61 H1* A 6 H1* A 6 -5.887 -2.212 6.666 62 H8 A 6 H8 A 6 -7.709 -1.192 3.299 63 1H6 A 6 H61 A 6 -2.188 -2.024 0.657 64 2H6 A 6 H62 A 6 -3.861 -1.552 0.388 65 H2 A 6 H2 A 6 -1.759 -2.714 5.154 66 1H2* A 6 1H2* A 6 -7.886 -0.194 5.542 67 2H2* A 6 2H2* A 6 -6.573 0.275 6.703 68 1H5* C 7 1H5* C 7 -5.077 -1.790 9.200 69 2H5* C 7 2H5* C 7 -4.771 -0.871 10.682 70 H4* C 7 H4* C 7 -2.673 -1.625 9.647 71 H3* C 7 H3* C 7 -2.973 0.837 10.684 72 H1* C 7 H1* C 7 -1.334 0.422 7.418 73 1H4 C 7 H41 C 7 -5.038 2.163 2.040 74 2H4 C 7 H42 C 7 -3.485 1.544 1.482 75 H5 C 7 H5 C 7 -5.602 2.180 4.513 76 H6 C 7 H6 C 7 -4.823 1.652 6.749 77 1H2* C 7 1H2* C 7 -3.852 1.651 8.563 78 2H2* C 7 2H2* C 7 -2.200 2.373 8.587 79 1H5* A 8 1H5* A 8 0.526 4.034 10.133 80 2H5* A 8 2H5* A 8 -0.258 4.195 8.554 81 H4* A 8 H4* A 8 2.608 3.284 9.034 82 H3* A 8 H3* A 8 1.853 5.870 9.193 83 H1* A 8 H1* A 8 3.016 4.476 5.799 84 H8 A 8 H8 A 8 -0.864 4.255 6.215 85 1H6 A 8 H61 A 8 -1.333 3.602 0.092 86 2H6 A 8 H62 A 8 -2.187 3.682 1.623 87 H2 A 8 H2 A 8 3.122 4.009 1.205 88 1H2* A 8 1H2* A 8 0.586 5.702 7.175 89 2H2* A 8 2H2* A 8 2.035 6.606 6.604 90 1H5* PYP 9 1H5* PYP 9 5.402 4.927 6.481 91 2H5* PYP 9 2H5* PYP 9 6.784 5.931 6.948 92 H4* PYP 9 H4* PYP 9 6.888 5.207 4.599 93 H1* PYP 9 H1* PYP 9 5.395 6.808 2.180 94 H1 PYP 9 H1 PYP 9 3.432 8.046 5.203 95 H2 PYP 9 H2 PYP 9 0.946 8.034 5.264 96 H3 PYP 9 H3 PYP 9 -1.191 7.788 4.161 97 H4 PYP 9 H4 PYP 9 -2.529 7.391 2.077 98 H5 PYP 9 H5 PYP 9 -2.624 6.955 -0.264 99 H6 PYP 9 H6 PYP 9 -1.513 6.579 -2.515 100 H7 PYP 9 H7 PYP 9 1.043 6.591 -2.622 101 H8 PYP 9 H8 PYP 9 3.211 6.822 -1.528 102 H9 PYP 9 H9 PYP 9 4.565 7.217 0.498 103 2H2* PYP 9 2H2* PYP 9 6.211 8.978 3.275 104 1H2* PYP 9 1H2* PYP 9 5.306 8.516 4.758 105 H3* PYP 9 H3* PYP 9 7.441 7.752 5.433 106 1H5* G 10 1H5* G 10 8.068 7.552 0.747 107 2H5* G 10 2H5* G 10 9.352 8.690 0.295 108 H4* G 10 H4* G 10 7.398 8.961 -1.119 109 H3* G 10 H3* G 10 8.643 11.130 0.126 110 H1* G 10 H1* G 10 5.108 10.646 -0.829 111 H8 G 10 H8 G 10 4.779 10.923 3.105 112 H1 G 10 H1 G 10 -0.630 10.539 -0.222 113 1H2 G 10 H21 G 10 1.462 10.166 -3.099 114 2H2 G 10 H22 G 10 -0.190 10.286 -2.490 115 1H2* G 10 1H2* G 10 6.727 11.408 1.602 116 2H2* G 10 2H2* G 10 6.320 12.543 0.245 117 1H5* C 11 1H5* C 11 7.200 10.964 -4.249 118 2H5* C 11 2H5* C 11 8.009 12.179 -5.258 119 H4* C 11 H4* C 11 5.880 11.378 -6.249 120 H3* C 11 H3* C 11 6.667 13.932 -6.172 121 H1* C 11 H1* C 11 3.083 12.913 -5.204 122 1H4 C 11 H41 C 11 2.565 14.040 1.456 123 2H4 C 11 H42 C 11 0.937 13.879 0.796 124 H5 C 11 H5 C 11 4.569 13.994 -0.043 125 H6 C 11 H6 C 11 5.392 13.630 -2.303 126 1H2* C 11 1H2* C 11 5.524 14.518 -4.229 127 2H2* C 11 2H2* C 11 4.230 15.064 -5.260 128 1H5* A 12 1H5* A 12 3.734 13.052 -9.858 129 2H5* A 12 2H5* A 12 3.939 14.179 -11.210 130 H4* A 12 H4* A 12 1.588 13.410 -10.825 131 H3* A 12 H3* A 12 2.155 15.922 -11.618 132 H1* A 12 H1* A 12 -0.166 15.248 -8.437 133 H8 A 12 H8 A 12 3.481 16.464 -7.443 134 1H6 A 12 H61 A 12 1.157 16.743 -1.711 135 2H6 A 12 H62 A 12 2.589 17.029 -2.695 136 H2 A 12 H2 A 12 -2.095 15.254 -4.539 137 1H2* A 12 1H2* A 12 2.428 16.670 -9.362 138 2H2* A 12 2H2* A 12 0.772 17.301 -9.708 139 1H5* C 13 1H5* C 13 -1.973 15.100 -9.765 140 2H5* C 13 2H5* C 13 -3.238 15.708 -10.845 141 H4* C 13 H4* C 13 -3.946 15.785 -8.506 142 H3* C 13 H3* C 13 -4.313 17.894 -10.241 143 H1* C 13 H1* C 13 -3.215 18.445 -6.760 144 1H4 C 13 H41 C 13 3.263 20.582 -6.726 145 2H4 C 13 H42 C 13 2.702 20.394 -5.064 146 H5 C 13 H5 C 13 1.636 20.254 -8.644 147 H6 C 13 H6 C 13 -0.494 19.449 -9.321 148 H3T C 13 H3T C 13 -4.940 17.719 -7.435 149 1H2* C 13 1H2* C 13 -2.335 18.843 -9.660 150 2H2* C 13 2H2* C 13 -3.495 19.898 -8.764 151 1H5* G 14 1H5* G 14 0.496 24.791 4.165 152 2H5* G 14 2H5* G 14 -0.341 23.665 5.245 153 H4* G 14 H4* G 14 -1.912 24.798 3.737 154 H3* G 14 H3* G 14 -2.103 22.178 4.294 155 H1* G 14 H1* G 14 -2.175 23.386 0.493 156 H8 G 14 H8 G 14 1.511 23.817 1.022 157 H1 G 14 H1 G 14 0.043 19.883 -3.769 158 1H2 G 14 H21 G 14 -3.267 20.029 -2.432 159 2H2 G 14 H22 G 14 -2.235 19.311 -3.682 160 1H2* G 14 1H2* G 14 -0.616 21.617 2.483 161 2H2* G 14 2H2* G 14 -2.190 21.191 1.727 162 H5T G 14 H5T G 14 0.881 22.859 2.815 163 1H5* T 15 1H5* T 15 -4.769 22.753 0.248 164 2H5* T 15 2H5* T 15 -6.337 22.556 1.050 165 H4* T 15 H4* T 15 -6.467 21.732 -1.217 166 H3* T 15 H3* T 15 -7.395 20.304 0.901 167 1H2* T 15 1H2* T 15 -5.407 19.060 1.061 168 2H2* T 15 2H2* T 15 -6.464 17.870 0.214 169 H1* T 15 H1* T 15 -5.591 18.688 -1.970 170 H3 T 15 H3 T 15 -1.703 16.327 -2.317 171 1H5M T 15 H51 T 15 -0.016 17.934 1.671 172 2H5M T 15 H52 T 15 -0.753 19.540 1.680 173 3H5M T 15 H53 T 15 -1.518 18.204 2.577 174 H6 T 15 H6 T 15 -3.384 19.362 0.992 175 1H5* G 16 1H5* G 16 -7.943 17.838 -3.168 176 2H5* G 16 2H5* G 16 -9.550 17.092 -3.122 177 H4* G 16 H4* G 16 -7.917 15.607 -4.125 178 H3* G 16 H3* G 16 -9.600 14.756 -2.026 179 H1* G 16 H1* G 16 -5.982 13.628 -3.029 180 H8 G 16 H8 G 16 -5.931 14.973 0.702 181 H1 G 16 H1 G 16 -0.303 13.241 -1.725 182 1H2 G 16 H21 G 16 -2.075 12.560 -4.739 183 2H2 G 16 H22 G 16 -0.486 12.766 -4.001 184 1H2* G 16 1H2* G 16 -7.682 14.483 -0.630 185 2H2* G 16 2H2* G 16 -7.756 12.820 -1.358 186 1H5* C 17 1H5* C 17 -7.069 12.841 -5.079 187 2H5* C 17 2H5* C 17 -7.670 11.408 -5.935 188 H4* C 17 H4* C 17 -5.204 11.625 -5.961 189 H3* C 17 H3* C 17 -6.426 9.228 -5.616 190 H1* C 17 H1* C 17 -3.427 10.430 -3.854 191 1H4 C 17 H41 C 17 -3.846 10.559 2.890 192 2H4 C 17 H42 C 17 -2.156 10.616 2.387 193 H5 C 17 H5 C 17 -5.671 10.590 1.164 194 H6 C 17 H6 C 17 -6.235 10.627 -1.154 195 1H2* C 17 1H2* C 17 -6.365 9.420 -3.200 196 2H2* C 17 2H2* C 17 -4.943 8.364 -3.496 197 1H5* 3DR 18 1H5* 3DR 18 -2.382 9.292 -8.377 198 2H5* 3DR 18 2H5* 3DR 18 -2.900 7.612 -8.612 199 1H4* 3DR 18 1H4* 3DR 18 -0.721 8.041 -9.640 200 H3* 3DR 18 H3* 3DR 18 -1.314 5.827 -8.041 201 1H2* 3DR 18 1H2* 3DR 18 -0.262 6.837 -5.966 202 2H2* 3DR 18 2H2* 3DR 18 1.017 5.766 -6.577 203 1H1* 3DR 18 1H1* 3DR 18 1.952 7.547 -7.926 204 2H1* 3DR 18 2H1* 3DR 18 1.586 8.323 -6.363 205 1H5* T 19 1H5* T 19 2.896 5.755 -8.330 206 2H5* T 19 2H5* T 19 3.662 4.316 -9.022 207 H4* T 19 H4* T 19 4.774 5.130 -6.953 208 H3* T 19 H3* T 19 4.272 2.483 -7.541 209 1H2* T 19 1H2* T 19 2.335 2.486 -6.185 210 2H2* T 19 2H2* T 19 3.519 1.734 -5.051 211 H1* T 19 H1* T 19 3.981 4.051 -4.144 212 H3 T 19 H3 T 19 0.913 3.764 -0.870 213 1H5M T 19 H51 T 19 -2.023 4.148 -5.227 214 2H5M T 19 H52 T 19 -1.785 2.392 -5.180 215 3H5M T 19 H53 T 19 -2.644 3.203 -3.861 216 H6 T 19 H6 T 19 0.575 3.564 -5.653 217 1H5* G 20 1H5* G 20 6.190 2.904 -3.192 218 2H5* G 20 2H5* G 20 7.484 1.694 -3.185 219 H4* G 20 H4* G 20 6.466 1.776 -1.027 220 H3* G 20 H3* G 20 6.680 -0.649 -2.411 221 H1* G 20 H1* G 20 4.258 0.416 0.117 222 H8 G 20 H8 G 20 1.789 0.611 -3.035 223 H1 G 20 H1 G 20 -0.903 0.604 2.732 224 1H2 G 20 H21 G 20 2.414 0.269 4.015 225 2H2 G 20 H22 G 20 0.699 0.428 4.415 226 1H2* G 20 1H2* G 20 4.268 -0.749 -2.654 227 2H2* G 20 2H2* G 20 4.578 -1.702 -1.126 228 1H5* T 21 1H5* T 21 6.762 -0.403 2.518 229 2H5* T 21 2H5* T 21 7.861 -1.730 2.940 230 H4* T 21 H4* T 21 6.308 -1.202 4.774 231 H3* T 21 H3* T 21 6.873 -3.769 3.989 232 1H2* T 21 1H2* T 21 4.923 -3.847 2.642 233 2H2* T 21 2H2* T 21 4.332 -4.719 4.108 234 H1* T 21 H1* T 21 3.366 -2.538 4.943 235 H3 T 21 H3 T 21 -0.629 -2.544 2.900 236 1H5M T 21 H51 T 21 1.141 -3.123 -1.305 237 2H5M T 21 H52 T 21 2.519 -2.026 -1.168 238 3H5M T 21 H53 T 21 2.753 -3.778 -0.949 239 H6 T 21 H6 T 21 3.853 -2.812 1.223 240 1H5* T 22 1H5* T 22 3.787 -3.696 7.919 241 2H5* T 22 2H5* T 22 4.441 -5.020 8.897 242 H4* T 22 H4* T 22 2.028 -4.944 9.067 243 H3* T 22 H3* T 22 3.385 -7.305 8.466 244 1H2* T 22 1H2* T 22 2.574 -7.197 6.236 245 2H2* T 22 2H2* T 22 1.309 -8.262 6.935 246 H1* T 22 H1* T 22 -0.134 -6.097 7.268 247 H3 T 22 H3 T 22 -2.131 -5.448 3.306 248 1H5M T 22 H51 T 22 3.001 -5.391 2.120 249 2H5M T 22 H52 T 22 2.630 -7.113 1.949 250 3H5M T 22 H53 T 22 1.826 -5.920 0.899 251 H6 T 22 H6 T 22 2.439 -6.290 4.490 252 1H5* T 23 1H5* T 23 -1.320 -7.634 9.235 253 2H5* T 23 2H5* T 23 -1.582 -9.156 10.103 254 H4* T 23 H4* T 23 -3.356 -8.786 8.592 255 H3* T 23 H3* T 23 -1.612 -11.089 7.950 256 1H2* T 23 1H2* T 23 -1.756 -10.838 5.963 257 2H2* T 23 2H2* T 23 -3.466 -11.414 6.030 258 H1* T 23 H1* T 23 -4.230 -9.093 6.194 259 H3 T 23 H3 T 23 -3.992 -8.077 1.762 260 1H5M T 23 H51 T 23 0.516 -10.408 2.838 261 2H5M T 23 H52 T 23 0.637 -9.090 1.639 262 3H5M T 23 H53 T 23 1.013 -8.809 3.385 263 H6 T 23 H6 T 23 -0.716 -9.547 4.919 264 1H5* G 24 1H5* G 24 -6.168 -11.087 6.817 265 2H5* G 24 2H5* G 24 -6.869 -12.653 7.251 266 H4* G 24 H4* G 24 -7.615 -12.073 5.058 267 H3* G 24 H3* G 24 -6.305 -14.500 5.568 268 H1* G 24 H1* G 24 -6.524 -12.500 2.438 269 H8 G 24 H8 G 24 -2.734 -12.548 3.383 270 H1 G 24 H1 G 24 -3.961 -9.878 -2.265 271 1H2 G 24 H21 G 24 -7.406 -10.388 -1.556 272 2H2 G 24 H22 G 24 -6.199 -9.807 -2.702 273 1H2* G 24 1H2* G 24 -4.456 -13.773 4.240 274 2H2* G 24 2H2* G 24 -5.444 -14.688 3.016 275 1H5* T 25 1H5* T 25 -10.071 -14.172 3.042 276 2H5* T 25 2H5* T 25 -11.030 -15.623 2.698 277 H4* T 25 H4* T 25 -11.185 -13.872 0.929 278 H3* T 25 H3* T 25 -10.935 -16.547 0.405 279 1H2* T 25 1H2* T 25 -8.558 -16.343 0.086 280 2H2* T 25 2H2* T 25 -9.135 -16.302 -1.638 281 H1* T 25 H1* T 25 -9.249 -13.814 -1.457 282 H3 T 25 H3 T 25 -5.083 -12.929 -2.928 283 1H5M T 25 H51 T 25 -4.332 -16.516 0.886 284 2H5M T 25 H52 T 25 -3.021 -15.458 0.331 285 3H5M T 25 H53 T 25 -4.011 -14.966 1.709 286 H6 T 25 H6 T 25 -6.678 -15.442 0.841 287 1H5* G 26 1H5* G 26 -11.100 -13.776 -4.004 288 2H5* G 26 2H5* G 26 -12.353 -14.836 -4.667 289 H4* G 26 H4* G 26 -10.960 -14.061 -6.470 290 H3* G 26 H3* G 26 -11.602 -16.691 -6.240 291 H1* G 26 H1* G 26 -8.289 -15.608 -7.297 292 H8 G 26 H8 G 26 -7.405 -17.170 -3.899 293 H1 G 26 H1 G 26 -2.653 -13.911 -6.623 294 1H2 G 26 H21 G 26 -5.058 -12.827 -9.005 295 2H2 G 26 H22 G 26 -3.360 -12.847 -8.562 296 H3T G 26 H3T G 26 -9.783 -15.591 -8.127 297 1H2* G 26 1H2* G 26 -9.520 -17.047 -4.918 298 2H2* G 26 2H2* G 26 -9.159 -17.786 -6.523 Start of MODEL 3 1 1H5* C 1 1H5* C 1 5.228 -15.958 -8.351 2 2H5* C 1 2H5* C 1 5.485 -14.673 -9.548 3 H4* C 1 H4* C 1 3.484 -16.008 -10.083 4 H3* C 1 H3* C 1 3.551 -13.315 -10.249 5 H1* C 1 H1* C 1 0.628 -15.104 -8.809 6 1H4 C 1 H41 C 1 0.249 -14.695 -2.043 7 2H4 C 1 H42 C 1 -1.379 -15.037 -2.587 8 H5 C 1 H5 C 1 2.152 -14.448 -3.583 9 H6 C 1 H6 C 1 2.912 -14.421 -5.849 10 1H2* C 1 1H2* C 1 2.749 -13.060 -7.987 11 2H2* C 1 2H2* C 1 1.271 -12.740 -8.968 12 H5T C 1 H5T C 1 4.580 -13.211 -8.079 13 1H5* A 2 1H5* A 2 -1.231 -14.406 -11.354 14 2H5* A 2 2H5* A 2 -1.473 -13.114 -12.541 15 H4* A 2 H4* A 2 -3.386 -13.245 -11.157 16 H3* A 2 H3* A 2 -1.914 -10.799 -11.300 17 H1* A 2 H1* A 2 -4.353 -12.351 -8.629 18 H8 A 2 H8 A 2 -0.794 -11.913 -7.027 19 1H6 A 2 H61 A 2 -3.529 -13.205 -1.711 20 2H6 A 2 H62 A 2 -2.012 -12.880 -2.534 21 H2 A 2 H2 A 2 -6.676 -13.473 -5.041 22 1H2* A 2 1H2* A 2 -1.724 -10.843 -8.905 23 2H2* A 2 2H2* A 2 -3.348 -10.061 -8.997 24 1H5* C 3 1H5* C 3 -6.167 -11.536 -10.031 25 2H5* C 3 2H5* C 3 -7.394 -10.377 -10.569 26 H4* C 3 H4* C 3 -7.808 -11.155 -8.268 27 H3* C 3 H3* C 3 -8.067 -8.561 -9.012 28 H1* C 3 H1* C 3 -6.609 -9.683 -5.932 29 1H4 C 3 H41 C 3 -0.473 -8.618 -3.710 30 2H4 C 3 H42 C 3 -1.419 -9.487 -2.498 31 H5 C 3 H5 C 3 -1.508 -8.043 -5.954 32 H6 C 3 H6 C 3 -3.491 -8.190 -7.352 33 1H2* C 3 1H2* C 3 -5.798 -8.134 -8.484 34 2H2* C 3 2H2* C 3 -6.598 -7.366 -7.068 35 1H5* A 4 1H5* A 4 -10.778 -10.095 -5.168 36 2H5* A 4 2H5* A 4 -11.991 -8.902 -5.669 37 H4* A 4 H4* A 4 -12.442 -9.790 -3.419 38 H3* A 4 H3* A 4 -12.736 -7.178 -4.002 39 H1* A 4 H1* A 4 -10.639 -8.038 -0.869 40 H8 A 4 H8 A 4 -8.518 -7.365 -4.056 41 1H6 A 4 H61 A 4 -3.442 -8.034 -0.555 42 2H6 A 4 H62 A 4 -4.042 -7.752 -2.181 43 H2 A 4 H2 A 4 -7.148 -8.831 2.017 44 1H2* A 4 1H2* A 4 -10.468 -6.708 -3.591 45 2H2* A 4 2H2* A 4 -11.262 -6.039 -2.108 46 1H5* A 5 1H5* A 5 -13.080 -7.340 0.755 47 2H5* A 5 2H5* A 5 -14.194 -6.061 1.262 48 H4* A 5 H4* A 5 -12.175 -6.021 2.577 49 H3* A 5 H3* A 5 -12.928 -3.571 1.096 50 H1* A 5 H1* A 5 -9.729 -4.939 2.521 51 H8 A 5 H8 A 5 -9.158 -4.455 -1.395 52 1H6 A 5 H61 A 5 -3.176 -5.276 -0.187 53 2H6 A 5 H62 A 5 -4.386 -4.960 -1.422 54 H2 A 5 H2 A 5 -5.520 -5.717 3.734 55 1H2* A 5 1H2* A 5 -10.916 -3.627 0.084 56 2H2* A 5 2H2* A 5 -10.556 -2.733 1.639 57 1H5* A 6 1H5* A 6 -11.062 -3.167 5.425 58 2H5* A 6 2H5* A 6 -11.567 -1.652 6.196 59 H4* A 6 H4* A 6 -9.209 -2.216 6.601 60 H3* A 6 H3* A 6 -10.055 0.361 5.860 61 H1* A 6 H1* A 6 -6.761 -1.535 5.025 62 H8 A 6 H8 A 6 -8.798 -1.300 1.629 63 1H6 A 6 H61 A 6 -3.242 -2.330 -0.964 64 2H6 A 6 H62 A 6 -4.944 -2.053 -1.325 65 H2 A 6 H2 A 6 -2.742 -2.173 3.537 66 1H2* A 6 1H2* A 6 -9.015 0.079 3.720 67 2H2* A 6 2H2* A 6 -7.647 0.840 4.650 68 1H5* C 7 1H5* C 7 -5.548 -0.660 7.717 69 2H5* C 7 2H5* C 7 -5.483 0.538 9.023 70 H4* C 7 H4* C 7 -3.229 -0.002 8.171 71 H3* C 7 H3* C 7 -3.977 2.496 8.786 72 H1* C 7 H1* C 7 -2.221 1.878 5.641 73 1H4 C 7 H41 C 7 -5.894 2.278 0.002 74 2H4 C 7 H42 C 7 -4.212 1.958 -0.431 75 H5 C 7 H5 C 7 -6.567 2.497 2.430 76 H6 C 7 H6 C 7 -5.828 2.353 4.739 77 1H2* C 7 1H2* C 7 -4.959 2.770 6.568 78 2H2* C 7 2H2* C 7 -3.475 3.790 6.450 79 1H5* A 8 1H5* A 8 0.978 1.816 8.443 80 2H5* A 8 2H5* A 8 1.359 3.146 9.550 81 H4* A 8 H4* A 8 3.314 2.561 8.214 82 H3* A 8 H3* A 8 2.443 5.171 8.538 83 H1* A 8 H1* A 8 4.132 3.748 5.681 84 H8 A 8 H8 A 8 0.683 4.593 4.091 85 1H6 A 8 H61 A 8 3.352 3.021 -1.318 86 2H6 A 8 H62 A 8 1.982 3.864 -0.608 87 H2 A 8 H2 A 8 6.298 2.288 2.066 88 1H2* A 8 1H2* A 8 1.488 5.092 6.282 89 2H2* A 8 2H2* A 8 3.058 5.969 6.040 90 1H5* PYP 9 1H5* PYP 9 6.048 4.312 5.773 91 2H5* PYP 9 2H5* PYP 9 7.444 5.190 6.407 92 H4* PYP 9 H4* PYP 9 7.559 4.813 3.980 93 H1* PYP 9 H1* PYP 9 6.189 6.871 1.813 94 H1 PYP 9 H1 PYP 9 4.235 7.683 4.982 95 H2 PYP 9 H2 PYP 9 1.769 7.510 5.035 96 H3 PYP 9 H3 PYP 9 -0.371 7.325 3.890 97 H4 PYP 9 H4 PYP 9 -1.691 7.189 1.756 98 H5 PYP 9 H5 PYP 9 -1.754 7.098 -0.639 99 H6 PYP 9 H6 PYP 9 -0.608 7.153 -2.905 100 H7 PYP 9 H7 PYP 9 1.905 7.315 -2.994 101 H8 PYP 9 H8 PYP 9 4.074 7.502 -1.851 102 H9 PYP 9 H9 PYP 9 5.401 7.655 0.227 103 2H2* PYP 9 2H2* PYP 9 7.073 8.788 3.273 104 1H2* PYP 9 1H2* PYP 9 6.131 8.118 4.646 105 H3* PYP 9 H3* PYP 9 8.237 7.160 5.184 106 1H5* G 10 1H5* G 10 8.744 7.685 0.511 107 2H5* G 10 2H5* G 10 10.067 8.828 0.218 108 H4* G 10 H4* G 10 8.129 9.410 -1.101 109 H3* G 10 H3* G 10 9.410 11.309 0.496 110 H1* G 10 H1* G 10 5.885 11.049 -0.576 111 H8 G 10 H8 G 10 5.417 10.764 3.357 112 H1 G 10 H1 G 10 0.119 10.819 -0.162 113 1H2 G 10 H21 G 10 2.256 10.887 -3.016 114 2H2 G 10 H22 G 10 0.599 10.825 -2.418 115 1H2* G 10 1H2* G 10 7.475 11.361 1.970 116 2H2* G 10 2H2* G 10 7.107 12.729 0.827 117 1H5* C 11 1H5* C 11 8.003 12.015 -3.871 118 2H5* C 11 2H5* C 11 8.670 13.432 -4.705 119 H4* C 11 H4* C 11 6.445 12.770 -5.559 120 H3* C 11 H3* C 11 7.217 15.338 -4.978 121 H1* C 11 H1* C 11 3.759 13.875 -4.321 122 1H4 C 11 H41 C 11 2.842 14.150 2.403 123 2H4 C 11 H42 C 11 1.274 13.997 1.608 124 H5 C 11 H5 C 11 4.954 14.357 1.005 125 H6 C 11 H6 C 11 5.881 14.326 -1.246 126 1H2* C 11 1H2* C 11 5.983 15.536 -3.017 127 2H2* C 11 2H2* C 11 4.668 16.101 -4.015 128 1H5* A 12 1H5* A 12 4.164 14.755 -8.673 129 2H5* A 12 2H5* A 12 4.606 15.960 -9.895 130 H4* A 12 H4* A 12 2.206 15.370 -9.945 131 H3* A 12 H3* A 12 3.011 17.908 -10.267 132 H1* A 12 H1* A 12 0.252 17.063 -7.495 133 H8 A 12 H8 A 12 3.848 17.756 -5.981 134 1H6 A 12 H61 A 12 1.150 16.796 -0.502 135 2H6 A 12 H62 A 12 2.654 17.165 -1.338 136 H2 A 12 H2 A 12 -1.948 16.096 -3.817 137 1H2* A 12 1H2* A 12 3.033 18.321 -7.907 138 2H2* A 12 2H2* A 12 1.470 19.118 -8.357 139 1H5* C 13 1H5* C 13 -1.509 17.258 -9.358 140 2H5* C 13 2H5* C 13 -2.460 18.150 -10.561 141 H4* C 13 H4* C 13 -3.646 17.892 -8.417 142 H3* C 13 H3* C 13 -3.648 20.247 -9.808 143 H1* C 13 H1* C 13 -3.038 20.248 -6.139 144 1H4 C 13 H41 C 13 3.539 21.663 -4.989 145 2H4 C 13 H42 C 13 2.734 21.331 -3.455 146 H5 C 13 H5 C 13 2.152 21.801 -7.113 147 H6 C 13 H6 C 13 0.083 21.319 -8.152 148 H3T C 13 H3T C 13 -5.336 19.364 -8.280 149 1H2* C 13 1H2* C 13 -1.702 20.925 -8.819 150 2H2* C 13 2H2* C 13 -2.903 21.959 -7.955 151 1H5* G 14 1H5* G 14 -0.090 24.367 6.036 152 2H5* G 14 2H5* G 14 -0.871 23.050 6.931 153 H4* G 14 H4* G 14 -2.495 24.371 5.637 154 H3* G 14 H3* G 14 -2.621 21.711 5.809 155 H1* G 14 H1* G 14 -2.700 23.401 2.193 156 H8 G 14 H8 G 14 0.970 23.877 2.886 157 H1 G 14 H1 G 14 -0.216 20.684 -2.497 158 1H2 G 14 H21 G 14 -3.559 20.446 -1.236 159 2H2 G 14 H22 G 14 -2.494 20.089 -2.612 160 1H2* G 14 1H2* G 14 -1.112 21.431 3.964 161 2H2* G 14 2H2* G 14 -2.661 21.066 3.133 162 H5T G 14 H5T G 14 0.363 22.705 4.397 163 1H5* T 15 1H5* T 15 -5.221 22.650 1.854 164 2H5* T 15 2H5* T 15 -6.803 22.203 2.512 165 H4* T 15 H4* T 15 -6.696 21.711 0.130 166 H3* T 15 H3* T 15 -7.675 19.945 1.952 167 1H2* T 15 1H2* T 15 -5.612 18.837 2.140 168 2H2* T 15 2H2* T 15 -6.490 17.699 1.051 169 H1* T 15 H1* T 15 -5.521 18.852 -0.913 170 H3 T 15 H3 T 15 -1.464 16.827 -1.229 171 1H5M T 15 H51 T 15 -1.880 18.055 3.892 172 2H5M T 15 H52 T 15 -0.279 17.871 3.135 173 3H5M T 15 H53 T 15 -1.030 19.470 3.232 174 H6 T 15 H6 T 15 -3.627 19.247 2.303 175 1H5* G 16 1H5* G 16 -7.623 17.924 -2.487 176 2H5* G 16 2H5* G 16 -9.202 17.130 -2.615 177 H4* G 16 H4* G 16 -7.498 15.799 -3.680 178 H3* G 16 H3* G 16 -9.180 14.688 -1.702 179 H1* G 16 H1* G 16 -5.498 13.801 -2.727 180 H8 G 16 H8 G 16 -5.636 14.741 1.126 181 H1 G 16 H1 G 16 0.177 13.643 -1.208 182 1H2 G 16 H21 G 16 -1.372 13.245 -4.386 183 2H2 G 16 H22 G 16 0.144 13.431 -3.500 184 1H2* G 16 1H2* G 16 -7.289 14.310 -0.306 185 2H2* G 16 2H2* G 16 -7.257 12.752 -1.247 186 1H5* C 17 1H5* C 17 -6.511 13.226 -4.820 187 2H5* C 17 2H5* C 17 -7.010 11.865 -5.845 188 H4* C 17 H4* C 17 -4.572 12.187 -5.779 189 H3* C 17 H3* C 17 -5.727 9.716 -5.681 190 H1* C 17 H1* C 17 -2.732 10.886 -3.852 191 1H4 C 17 H41 C 17 -3.090 10.291 2.893 192 2H4 C 17 H42 C 17 -1.410 10.494 2.400 193 H5 C 17 H5 C 17 -4.924 10.382 1.179 194 H6 C 17 H6 C 17 -5.503 10.586 -1.127 195 1H2* C 17 1H2* C 17 -5.601 9.645 -3.273 196 2H2* C 17 2H2* C 17 -4.155 8.692 -3.737 197 1H5* 3DR 18 1H5* 3DR 18 -1.420 10.870 -7.417 198 2H5* 3DR 18 2H5* 3DR 18 -1.734 9.640 -8.656 199 1H4* 3DR 18 1H4* 3DR 18 0.529 10.520 -8.836 200 H3* 3DR 18 H3* 3DR 18 -0.135 7.805 -8.868 201 1H2* 3DR 18 1H2* 3DR 18 0.473 7.476 -6.414 202 2H2* 3DR 18 2H2* 3DR 18 1.907 6.880 -7.281 203 1H1* 3DR 18 1H1* 3DR 18 2.914 9.071 -7.264 204 2H1* 3DR 18 2H1* 3DR 18 2.272 8.871 -5.611 205 1H5* T 19 1H5* T 19 4.193 7.625 -8.474 206 2H5* T 19 2H5* T 19 4.966 6.382 -9.470 207 H4* T 19 H4* T 19 5.570 6.137 -7.121 208 H3* T 19 H3* T 19 4.711 4.019 -8.698 209 1H2* T 19 1H2* T 19 2.600 4.019 -7.597 210 2H2* T 19 2H2* T 19 3.447 2.724 -6.662 211 H1* T 19 H1* T 19 4.189 4.507 -5.070 212 H3 T 19 H3 T 19 0.983 4.381 -1.968 213 1H5M T 19 H51 T 19 -1.692 5.565 -6.328 214 2H5M T 19 H52 T 19 -1.668 3.790 -6.449 215 3H5M T 19 H53 T 19 -2.457 4.578 -5.070 216 H6 T 19 H6 T 19 0.837 4.767 -6.750 217 1H5* G 20 1H5* G 20 6.167 3.204 -4.306 218 2H5* G 20 2H5* G 20 7.256 1.805 -4.358 219 H4* G 20 H4* G 20 6.063 1.870 -2.268 220 H3* G 20 H3* G 20 6.072 -0.444 -3.878 221 H1* G 20 H1* G 20 3.671 0.778 -1.378 222 H8 G 20 H8 G 20 1.413 1.333 -4.670 223 H1 G 20 H1 G 20 -1.573 1.401 0.956 224 1H2 G 20 H21 G 20 1.660 0.755 2.349 225 2H2 G 20 H22 G 20 -0.034 1.115 2.728 226 1H2* G 20 1H2* G 20 3.698 -0.267 -4.195 227 2H2* G 20 2H2* G 20 3.824 -1.309 -2.697 228 1H5* T 21 1H5* T 21 5.669 0.301 0.686 229 2H5* T 21 2H5* T 21 6.774 -0.882 1.405 230 H4* T 21 H4* T 21 5.302 0.093 3.098 231 H3* T 21 H3* T 21 5.845 -2.556 2.931 232 1H2* T 21 1H2* T 21 3.915 -2.932 1.594 233 2H2* T 21 2H2* T 21 3.308 -3.512 3.191 234 H1* T 21 H1* T 21 2.296 -1.224 3.563 235 H3 T 21 H3 T 21 -1.606 -2.109 1.432 236 1H5M T 21 H51 T 21 1.714 -1.575 -2.517 237 2H5M T 21 H52 T 21 2.031 -3.293 -2.160 238 3H5M T 21 H53 T 21 0.406 -2.762 -2.645 239 H6 T 21 H6 T 21 2.947 -1.955 -0.053 240 1H5* T 22 1H5* T 22 2.565 -1.946 6.588 241 2H5* T 22 2H5* T 22 3.335 -2.967 7.815 242 H4* T 22 H4* T 22 0.932 -3.171 7.969 243 H3* T 22 H3* T 22 2.606 -5.416 7.714 244 1H2* T 22 1H2* T 22 1.742 -5.809 5.554 245 2H2* T 22 2H2* T 22 0.618 -6.865 6.480 246 H1* T 22 H1* T 22 -1.052 -4.838 6.451 247 H3 T 22 H3 T 22 -3.088 -5.311 2.474 248 1H5M T 22 H51 T 22 1.933 -4.390 1.178 249 2H5M T 22 H52 T 22 1.938 -6.154 1.270 250 3H5M T 22 H53 T 22 0.905 -5.326 0.081 251 H6 T 22 H6 T 22 1.544 -5.034 3.690 252 1H5* T 23 1H5* T 23 -1.925 -6.515 9.065 253 2H5* T 23 2H5* T 23 -1.796 -7.978 10.055 254 H4* T 23 H4* T 23 -3.652 -8.138 8.557 255 H3* T 23 H3* T 23 -1.441 -10.067 8.129 256 1H2* T 23 1H2* T 23 -1.596 -10.064 6.157 257 2H2* T 23 2H2* T 23 -3.163 -10.961 6.291 258 H1* T 23 H1* T 23 -4.391 -8.863 6.194 259 H3 T 23 H3 T 23 -4.363 -8.310 1.682 260 1H5M T 23 H51 T 23 0.711 -7.991 3.150 261 2H5M T 23 H52 T 23 0.497 -9.731 2.967 262 3H5M T 23 H53 T 23 0.363 -8.697 1.525 263 H6 T 23 H6 T 23 -0.853 -8.831 4.891 264 1H5* G 24 1H5* G 24 -5.821 -10.831 7.140 265 2H5* G 24 2H5* G 24 -6.369 -12.375 7.811 266 H4* G 24 H4* G 24 -7.415 -12.012 5.677 267 H3* G 24 H3* G 24 -6.079 -14.377 6.273 268 H1* G 24 H1* G 24 -6.533 -12.762 2.941 269 H8 G 24 H8 G 24 -2.719 -12.375 3.723 270 H1 G 24 H1 G 24 -4.335 -10.628 -2.168 271 1H2 G 24 H21 G 24 -7.698 -11.396 -1.267 272 2H2 G 24 H22 G 24 -6.585 -10.910 -2.545 273 1H2* G 24 1H2* G 24 -4.313 -13.774 4.739 274 2H2* G 24 2H2* G 24 -5.387 -14.828 3.715 275 1H5* T 25 1H5* T 25 -10.020 -14.230 3.927 276 2H5* T 25 2H5* T 25 -11.000 -15.706 3.852 277 H4* T 25 H4* T 25 -11.271 -14.208 1.875 278 H3* T 25 H3* T 25 -11.181 -16.917 1.733 279 1H2* T 25 1H2* T 25 -8.769 -16.887 1.374 280 2H2* T 25 2H2* T 25 -9.386 -17.146 -0.317 281 H1* T 25 H1* T 25 -9.407 -14.710 -0.640 282 H3 T 25 H3 T 25 -5.359 -14.210 -2.363 283 1H5M T 25 H51 T 25 -4.000 -15.366 2.474 284 2H5M T 25 H52 T 25 -4.528 -17.026 2.070 285 3H5M T 25 H53 T 25 -3.204 -16.252 1.177 286 H6 T 25 H6 T 25 -6.810 -15.930 1.874 287 1H5* G 26 1H5* G 26 -11.046 -15.279 -3.409 288 2H5* G 26 2H5* G 26 -12.249 -16.539 -3.728 289 H4* G 26 H4* G 26 -10.686 -16.546 -5.530 290 H3* G 26 H3* G 26 -11.359 -18.856 -4.256 291 H1* G 26 H1* G 26 -8.018 -18.180 -5.467 292 H8 G 26 H8 G 26 -7.221 -18.531 -1.776 293 H1 G 26 H1 G 26 -2.504 -15.825 -5.096 294 1H2 G 26 H21 G 26 -4.813 -15.579 -7.774 295 2H2 G 26 H22 G 26 -3.155 -15.330 -7.250 296 H3T G 26 H3T G 26 -10.293 -19.914 -5.949 297 1H2* G 26 1H2* G 26 -9.366 -18.552 -2.771 298 2H2* G 26 2H2* G 26 -8.880 -19.880 -3.898 Start of MODEL 4 1 1H5* C 1 1H5* C 1 3.783 -16.167 -9.920 2 2H5* C 1 2H5* C 1 4.398 -14.835 -10.910 3 H4* C 1 H4* C 1 1.988 -15.164 -11.239 4 H3* C 1 H3* C 1 3.124 -12.713 -10.864 5 H1* C 1 H1* C 1 -0.151 -13.705 -9.453 6 1H4 C 1 H41 C 1 -0.274 -14.571 -2.738 7 2H4 C 1 H42 C 1 -1.938 -14.614 -3.281 8 H5 C 1 H5 C 1 1.620 -14.296 -4.297 9 H6 C 1 H6 C 1 2.337 -13.994 -6.530 10 1H2* C 1 1H2* C 1 2.609 -12.629 -8.627 11 2H2* C 1 2H2* C 1 1.205 -11.683 -9.231 12 H5T C 1 H5T C 1 4.275 -13.519 -9.023 13 1H5* A 2 1H5* A 2 -1.621 -12.260 -12.007 14 2H5* A 2 2H5* A 2 -1.714 -10.704 -12.845 15 H4* A 2 H4* A 2 -3.588 -10.976 -11.389 16 H3* A 2 H3* A 2 -1.800 -8.719 -11.067 17 H1* A 2 H1* A 2 -4.374 -10.597 -8.749 18 H8 A 2 H8 A 2 -0.739 -10.622 -7.261 19 1H6 A 2 H61 A 2 -3.296 -12.853 -2.138 20 2H6 A 2 H62 A 2 -1.828 -12.272 -2.905 21 H2 A 2 H2 A 2 -6.584 -12.371 -5.298 22 1H2* A 2 1H2* A 2 -1.692 -9.172 -8.758 23 2H2* A 2 2H2* A 2 -3.282 -8.326 -8.704 24 1H5* C 3 1H5* C 3 -6.003 -9.378 -10.027 25 2H5* C 3 2H5* C 3 -7.196 -8.094 -10.307 26 H4* C 3 H4* C 3 -7.673 -9.349 -8.244 27 H3* C 3 H3* C 3 -7.825 -6.653 -8.421 28 H1* C 3 H1* C 3 -6.480 -8.508 -5.662 29 1H4 C 3 H41 C 3 -0.395 -8.117 -3.076 30 2H4 C 3 H42 C 3 -1.398 -9.156 -2.068 31 H5 C 3 H5 C 3 -1.350 -7.053 -5.168 32 H6 C 3 H6 C 3 -3.313 -6.850 -6.618 33 1H2* C 3 1H2* C 3 -5.571 -6.448 -7.783 34 2H2* C 3 2H2* C 3 -6.366 -5.926 -6.275 35 1H5* A 4 1H5* A 4 -11.051 -8.655 -4.798 36 2H5* A 4 2H5* A 4 -12.059 -7.297 -5.326 37 H4* A 4 H4* A 4 -12.761 -8.132 -3.137 38 H3* A 4 H3* A 4 -12.664 -5.524 -3.644 39 H1* A 4 H1* A 4 -10.832 -6.708 -0.446 40 H8 A 4 H8 A 4 -8.582 -6.605 -3.576 41 1H6 A 4 H61 A 4 -3.713 -7.811 0.075 42 2H6 A 4 H62 A 4 -4.252 -7.782 -1.588 43 H2 A 4 H2 A 4 -7.539 -7.777 2.607 44 1H2* A 4 1H2* A 4 -10.317 -5.420 -3.152 45 2H2* A 4 2H2* A 4 -11.015 -4.627 -1.696 46 1H5* A 5 1H5* A 5 -12.868 -5.442 1.219 47 2H5* A 5 2H5* A 5 -13.717 -3.922 1.549 48 H4* A 5 H4* A 5 -11.737 -3.991 2.846 49 H3* A 5 H3* A 5 -12.039 -1.774 0.969 50 H1* A 5 H1* A 5 -9.112 -3.408 2.652 51 H8 A 5 H8 A 5 -8.479 -3.727 -1.218 52 1H6 A 5 H61 A 5 -2.687 -5.229 0.287 53 2H6 A 5 H62 A 5 -3.855 -5.055 -1.014 54 H2 A 5 H2 A 5 -5.103 -4.608 4.153 55 1H2* A 5 1H2* A 5 -10.128 -2.508 -0.051 56 2H2* A 5 2H2* A 5 -9.504 -1.318 1.162 57 1H5* A 6 1H5* A 6 -10.351 -0.965 5.371 58 2H5* A 6 2H5* A 6 -10.707 0.697 5.886 59 H4* A 6 H4* A 6 -8.466 -0.024 6.560 60 H3* A 6 H3* A 6 -8.983 2.417 5.256 61 H1* A 6 H1* A 6 -5.867 0.076 5.086 62 H8 A 6 H8 A 6 -7.673 -0.016 1.533 63 1H6 A 6 H61 A 6 -2.347 -2.481 -0.439 64 2H6 A 6 H62 A 6 -4.007 -2.093 -0.884 65 H2 A 6 H2 A 6 -1.990 -1.676 4.036 66 1H2* A 6 1H2* A 6 -7.803 1.674 3.330 67 2H2* A 6 2H2* A 6 -6.435 2.440 4.255 68 1H5* C 7 1H5* C 7 -5.124 1.522 7.926 69 2H5* C 7 2H5* C 7 -4.784 2.979 8.879 70 H4* C 7 H4* C 7 -2.736 1.693 8.406 71 H3* C 7 H3* C 7 -2.847 4.378 8.305 72 H1* C 7 H1* C 7 -1.179 2.535 5.576 73 1H4 C 7 H41 C 7 -4.682 2.186 -0.204 74 2H4 C 7 H42 C 7 -3.135 1.360 -0.403 75 H5 C 7 H5 C 7 -5.175 3.398 1.982 76 H6 C 7 H6 C 7 -4.476 3.752 4.275 77 1H2* C 7 1H2* C 7 -3.611 4.301 6.011 78 2H2* C 7 2H2* C 7 -1.902 4.850 5.820 79 1H5* A 8 1H5* A 8 1.798 2.418 8.356 80 2H5* A 8 2H5* A 8 2.464 3.754 9.320 81 H4* A 8 H4* A 8 4.235 2.606 8.085 82 H3* A 8 H3* A 8 4.115 5.261 8.302 83 H1* A 8 H1* A 8 4.564 3.856 4.753 84 H8 A 8 H8 A 8 0.769 4.228 5.668 85 1H6 A 8 H61 A 8 -0.432 3.484 -0.389 86 2H6 A 8 H62 A 8 -1.167 3.664 1.200 87 H2 A 8 H2 A 8 4.071 3.233 0.275 88 1H2* A 8 1H2* A 8 2.624 5.435 6.443 89 2H2* A 8 2H2* A 8 4.159 6.032 5.714 90 1H5* PYP 9 1H5* PYP 9 7.391 4.214 5.046 91 2H5* PYP 9 2H5* PYP 9 8.885 4.948 5.656 92 H4* PYP 9 H4* PYP 9 8.842 4.963 3.235 93 H1* PYP 9 H1* PYP 9 7.397 7.065 1.357 94 H1 PYP 9 H1 PYP 9 5.483 8.020 4.539 95 H2 PYP 9 H2 PYP 9 3.059 7.727 4.732 96 H3 PYP 9 H3 PYP 9 0.895 7.264 3.742 97 H4 PYP 9 H4 PYP 9 -0.510 6.758 1.722 98 H5 PYP 9 H5 PYP 9 -0.689 6.367 -0.646 99 H6 PYP 9 H6 PYP 9 0.321 6.198 -2.935 100 H7 PYP 9 H7 PYP 9 2.831 6.498 -3.201 101 H8 PYP 9 H8 PYP 9 5.036 6.971 -2.216 102 H9 PYP 9 H9 PYP 9 6.450 7.469 -0.257 103 2H2* PYP 9 2H2* PYP 9 8.253 8.925 2.903 104 1H2* PYP 9 1H2* PYP 9 7.362 8.151 4.259 105 H3* PYP 9 H3* PYP 9 9.453 7.209 4.726 106 1H5* G 10 1H5* G 10 9.895 7.868 0.144 107 2H5* G 10 2H5* G 10 11.080 9.125 -0.256 108 H4* G 10 H4* G 10 9.004 9.416 -1.476 109 H3* G 10 H3* G 10 10.171 11.547 -0.018 110 H1* G 10 H1* G 10 6.709 10.758 -1.047 111 H8 G 10 H8 G 10 6.337 10.899 2.895 112 H1 G 10 H1 G 10 0.965 10.328 -0.473 113 1H2 G 10 H21 G 10 3.075 10.277 -3.358 114 2H2 G 10 H22 G 10 1.419 10.160 -2.758 115 1H2* G 10 1H2* G 10 8.223 11.623 1.421 116 2H2* G 10 2H2* G 10 7.712 12.763 0.098 117 1H5* C 11 1H5* C 11 8.230 11.536 -4.170 118 2H5* C 11 2H5* C 11 8.906 12.816 -5.193 119 H4* C 11 H4* C 11 6.774 11.941 -6.057 120 H3* C 11 H3* C 11 7.362 14.618 -5.900 121 H1* C 11 H1* C 11 3.948 13.150 -5.131 122 1H4 C 11 H41 C 11 2.922 14.072 1.536 123 2H4 C 11 H42 C 11 1.339 13.972 0.769 124 H5 C 11 H5 C 11 5.019 14.110 0.168 125 H6 C 11 H6 C 11 5.985 13.855 -2.045 126 1H2* C 11 1H2* C 11 6.096 14.926 -3.905 127 2H2* C 11 2H2* C 11 4.902 15.425 -5.143 128 1H5* A 12 1H5* A 12 3.311 13.905 -8.666 129 2H5* A 12 2H5* A 12 3.598 15.028 -10.010 130 H4* A 12 H4* A 12 1.222 14.783 -9.475 131 H3* A 12 H3* A 12 2.409 17.302 -9.839 132 H1* A 12 H1* A 12 -0.469 16.251 -7.288 133 H8 A 12 H8 A 12 2.903 17.225 -5.494 134 1H6 A 12 H61 A 12 -0.425 17.146 -0.276 135 2H6 A 12 H62 A 12 1.147 17.522 -0.971 136 H2 A 12 H2 A 12 -3.162 16.089 -3.767 137 1H2* A 12 1H2* A 12 2.215 17.735 -7.517 138 2H2* A 12 2H2* A 12 0.649 18.455 -8.065 139 1H5* C 13 1H5* C 13 -2.060 16.653 -9.141 140 2H5* C 13 2H5* C 13 -3.007 17.534 -10.350 141 H4* C 13 H4* C 13 -4.215 17.415 -8.232 142 H3* C 13 H3* C 13 -3.842 19.788 -9.661 143 H1* C 13 H1* C 13 -3.882 19.544 -6.001 144 1H4 C 13 H41 C 13 2.194 21.308 -3.473 145 2H4 C 13 H42 C 13 1.044 21.071 -2.152 146 H5 C 13 H5 C 13 1.372 21.207 -5.881 147 H6 C 13 H6 C 13 -0.398 20.567 -7.341 148 H3T C 13 H3T C 13 -5.823 18.918 -8.571 149 1H2* C 13 1H2* C 13 -2.110 20.410 -8.330 150 2H2* C 13 2H2* C 13 -3.448 21.400 -7.623 151 1H5* G 14 1H5* G 14 -4.255 23.742 6.662 152 2H5* G 14 2H5* G 14 -5.061 22.357 7.422 153 H4* G 14 H4* G 14 -6.391 23.294 5.582 154 H3* G 14 H3* G 14 -6.105 20.649 5.943 155 H1* G 14 H1* G 14 -5.537 22.278 2.351 156 H8 G 14 H8 G 14 -2.142 23.199 3.816 157 H1 G 14 H1 G 14 -1.907 20.138 -1.770 158 1H2 G 14 H21 G 14 -5.365 19.444 -1.187 159 2H2 G 14 H22 G 14 -4.026 19.340 -2.347 160 1H2* G 14 1H2* G 14 -4.156 20.577 4.551 161 2H2* G 14 2H2* G 14 -5.370 19.972 3.375 162 H5T G 14 H5T G 14 -3.054 22.107 5.420 163 1H5* T 15 1H5* T 15 -8.342 21.008 1.409 164 2H5* T 15 2H5* T 15 -9.768 20.077 1.895 165 H4* T 15 H4* T 15 -9.212 19.627 -0.419 166 H3* T 15 H3* T 15 -9.752 17.629 1.399 167 1H2* T 15 1H2* T 15 -7.503 17.218 1.749 168 2H2* T 15 2H2* T 15 -7.910 15.883 0.598 169 H1* T 15 H1* T 15 -7.189 17.357 -1.281 170 H3 T 15 H3 T 15 -2.780 16.267 -1.178 171 1H5M T 15 H51 T 15 -3.884 17.472 3.839 172 2H5M T 15 H52 T 15 -2.230 17.648 3.217 173 3H5M T 15 H53 T 15 -3.328 19.036 3.186 174 H6 T 15 H6 T 15 -5.726 18.196 2.071 175 1H5* G 16 1H5* G 16 -8.791 15.520 -2.979 176 2H5* G 16 2H5* G 16 -9.980 14.209 -3.015 177 H4* G 16 H4* G 16 -7.868 13.423 -3.828 178 H3* G 16 H3* G 16 -9.111 12.148 -1.551 179 H1* G 16 H1* G 16 -5.456 12.431 -2.942 180 H8 G 16 H8 G 16 -5.613 13.610 0.835 181 H1 G 16 H1 G 16 0.186 13.444 -1.817 182 1H2 G 16 H21 G 16 -1.485 12.454 -4.805 183 2H2 G 16 H22 G 16 0.057 12.918 -4.091 184 1H2* G 16 1H2* G 16 -7.113 12.472 -0.385 185 2H2* G 16 2H2* G 16 -6.626 10.930 -1.187 186 1H5* C 17 1H5* C 17 -6.334 11.263 -4.837 187 2H5* C 17 2H5* C 17 -6.631 9.739 -5.691 188 H4* C 17 H4* C 17 -4.340 10.574 -6.031 189 H3* C 17 H3* C 17 -4.907 7.955 -5.609 190 H1* C 17 H1* C 17 -2.038 9.794 -4.125 191 1H4 C 17 H41 C 17 -2.114 9.854 2.643 192 2H4 C 17 H42 C 17 -0.472 10.168 2.083 193 H5 C 17 H5 C 17 -3.981 9.528 1.019 194 H6 C 17 H6 C 17 -4.656 9.463 -1.254 195 1H2* C 17 1H2* C 17 -4.626 8.179 -3.238 196 2H2* C 17 2H2* C 17 -3.067 7.435 -3.702 197 1H5* 3DR 18 1H5* 3DR 18 -0.829 9.200 -8.103 198 2H5* 3DR 18 2H5* 3DR 18 -1.011 7.694 -9.017 199 1H4* 3DR 18 1H4* 3DR 18 1.157 8.768 -9.400 200 H3* 3DR 18 H3* 3DR 18 0.813 6.049 -8.960 201 1H2* 3DR 18 1H2* 3DR 18 1.380 6.222 -6.471 202 2H2* 3DR 18 2H2* 3DR 18 2.883 5.636 -7.213 203 1H1* 3DR 18 1H1* 3DR 18 3.677 7.893 -7.566 204 2H1* 3DR 18 2H1* 3DR 18 2.998 7.931 -5.920 205 1H5* T 19 1H5* T 19 5.103 6.182 -8.326 206 2H5* T 19 2H5* T 19 5.958 4.899 -9.198 207 H4* T 19 H4* T 19 6.496 4.822 -6.832 208 H3* T 19 H3* T 19 5.582 2.569 -8.249 209 1H2* T 19 1H2* T 19 3.571 2.596 -7.030 210 2H2* T 19 2H2* T 19 4.520 1.436 -6.017 211 H1* T 19 H1* T 19 5.247 3.425 -4.649 212 H3 T 19 H3 T 19 2.106 3.454 -1.458 213 1H5M T 19 H51 T 19 -0.700 4.235 -5.784 214 2H5M T 19 H52 T 19 -0.596 2.463 -5.865 215 3H5M T 19 H53 T 19 -1.389 3.244 -4.479 216 H6 T 19 H6 T 19 1.862 3.416 -6.250 217 1H5* G 20 1H5* G 20 7.206 2.124 -3.876 218 2H5* G 20 2H5* G 20 8.311 0.739 -3.805 219 H4* G 20 H4* G 20 7.094 1.036 -1.712 220 H3* G 20 H3* G 20 7.175 -1.470 -3.038 221 H1* G 20 H1* G 20 4.716 0.021 -0.720 222 H8 G 20 H8 G 20 2.607 0.152 -4.130 223 H1 G 20 H1 G 20 -0.678 0.660 1.300 224 1H2 G 20 H21 G 20 2.464 0.161 2.934 225 2H2 G 20 H22 G 20 0.767 0.623 3.154 226 1H2* G 20 1H2* G 20 4.803 -1.396 -3.366 227 2H2* G 20 2H2* G 20 4.929 -2.224 -1.740 228 1H5* T 21 1H5* T 21 6.854 -0.833 1.741 229 2H5* T 21 2H5* T 21 7.801 -2.148 2.465 230 H4* T 21 H4* T 21 6.098 -1.302 4.004 231 H3* T 21 H3* T 21 6.516 -3.997 3.552 232 1H2* T 21 1H2* T 21 4.627 -4.101 2.144 233 2H2* T 21 2H2* T 21 3.890 -4.684 3.685 234 H1* T 21 H1* T 21 3.140 -2.252 4.109 235 H3 T 21 H3 T 21 -0.784 -2.429 1.848 236 1H5M T 21 H51 T 21 1.256 -3.426 -2.200 237 2H5M T 21 H52 T 21 2.813 -2.625 -1.962 238 3H5M T 21 H53 T 21 2.646 -4.361 -1.620 239 H6 T 21 H6 T 21 3.771 -3.136 0.535 240 1H5* T 22 1H5* T 22 3.512 -3.139 7.399 241 2H5* T 22 2H5* T 22 3.944 -4.422 8.545 242 H4* T 22 H4* T 22 1.551 -3.949 8.600 243 H3* T 22 H3* T 22 2.604 -6.549 8.325 244 1H2* T 22 1H2* T 22 1.721 -6.702 6.163 245 2H2* T 22 2H2* T 22 0.310 -7.379 7.051 246 H1* T 22 H1* T 22 -0.702 -4.959 6.951 247 H3 T 22 H3 T 22 -2.637 -4.970 2.920 248 1H5M T 22 H51 T 22 2.037 -7.116 1.944 249 2H5M T 22 H52 T 22 1.268 -6.108 0.693 250 3H5M T 22 H53 T 22 2.481 -5.409 1.783 251 H6 T 22 H6 T 22 1.856 -5.903 4.306 252 1H5* T 23 1H5* T 23 -2.048 -6.529 9.573 253 2H5* T 23 2H5* T 23 -2.301 -7.993 10.535 254 H4* T 23 H4* T 23 -4.091 -7.683 8.966 255 H3* T 23 H3* T 23 -2.392 -10.087 8.610 256 1H2* T 23 1H2* T 23 -2.423 -10.009 6.627 257 2H2* T 23 2H2* T 23 -4.136 -10.551 6.617 258 H1* T 23 H1* T 23 -4.869 -8.197 6.562 259 H3 T 23 H3 T 23 -4.492 -7.651 2.075 260 1H5M T 23 H51 T 23 0.448 -8.520 3.796 261 2H5M T 23 H52 T 23 -0.163 -10.157 3.566 262 3H5M T 23 H53 T 23 0.031 -9.104 2.140 263 H6 T 23 H6 T 23 -1.359 -8.973 5.435 264 1H5* G 24 1H5* G 24 -6.692 -10.232 7.215 265 2H5* G 24 2H5* G 24 -7.473 -11.728 7.762 266 H4* G 24 H4* G 24 -8.055 -11.334 5.481 267 H3* G 24 H3* G 24 -6.919 -13.765 6.261 268 H1* G 24 H1* G 24 -6.877 -12.051 3.012 269 H8 G 24 H8 G 24 -3.130 -11.921 4.054 270 H1 G 24 H1 G 24 -4.261 -10.260 -1.998 271 1H2 G 24 H21 G 24 -7.705 -10.779 -1.255 272 2H2 G 24 H22 G 24 -6.515 -10.319 -2.474 273 1H2* G 24 1H2* G 24 -4.915 -13.199 5.008 274 2H2* G 24 2H2* G 24 -5.843 -14.197 3.812 275 1H5* T 25 1H5* T 25 -10.407 -13.209 3.336 276 2H5* T 25 2H5* T 25 -11.466 -14.630 3.246 277 H4* T 25 H4* T 25 -11.653 -13.127 1.255 278 H3* T 25 H3* T 25 -11.626 -15.836 1.092 279 1H2* T 25 1H2* T 25 -9.225 -15.868 0.770 280 2H2* T 25 2H2* T 25 -9.809 -16.088 -0.938 281 H1* T 25 H1* T 25 -9.746 -13.622 -1.209 282 H3 T 25 H3 T 25 -5.523 -13.383 -2.742 283 1H5M T 25 H51 T 25 -4.647 -14.516 2.221 284 2H5M T 25 H52 T 25 -5.106 -16.178 1.761 285 3H5M T 25 H53 T 25 -3.696 -15.398 1.022 286 H6 T 25 H6 T 25 -7.333 -14.960 1.415 287 1H5* G 26 1H5* G 26 -11.451 -13.800 -3.803 288 2H5* G 26 2H5* G 26 -12.844 -14.815 -4.209 289 H4* G 26 H4* G 26 -11.429 -14.618 -6.150 290 H3* G 26 H3* G 26 -12.341 -17.046 -5.394 291 H1* G 26 H1* G 26 -8.874 -16.628 -6.514 292 H8 G 26 H8 G 26 -8.243 -17.576 -2.877 293 H1 G 26 H1 G 26 -3.234 -14.834 -5.724 294 1H2 G 26 H21 G 26 -5.475 -14.097 -8.388 295 2H2 G 26 H22 G 26 -3.815 -14.006 -7.820 296 H3T G 26 H3T G 26 -10.374 -16.587 -7.392 297 1H2* G 26 1H2* G 26 -10.333 -17.309 -3.931 298 2H2* G 26 2H2* G 26 -10.020 -18.434 -5.307 Start of MODEL 5 1 1H5* C 1 1H5* C 1 3.254 -19.160 -7.768 2 2H5* C 1 2H5* C 1 3.737 -18.176 -9.165 3 H4* C 1 H4* C 1 1.490 -19.125 -9.472 4 H3* C 1 H3* C 1 2.073 -16.549 -10.088 5 H1* C 1 H1* C 1 -1.104 -17.484 -8.319 6 1H4 C 1 H41 C 1 -0.915 -15.817 -1.736 7 2H4 C 1 H42 C 1 -2.607 -15.769 -2.193 8 H5 C 1 H5 C 1 0.874 -16.395 -3.321 9 H6 C 1 H6 C 1 1.461 -16.963 -5.575 10 1H2* C 1 1H2* C 1 1.384 -15.805 -7.847 11 2H2* C 1 2H2* C 1 -0.037 -15.364 -8.872 12 H5T C 1 H5T C 1 3.175 -16.331 -7.956 13 1H5* A 2 1H5* A 2 -2.733 -16.698 -10.811 14 2H5* A 2 2H5* A 2 -2.869 -15.576 -12.174 15 H4* A 2 H4* A 2 -4.513 -15.012 -10.572 16 H3* A 2 H3* A 2 -2.462 -13.065 -11.237 17 H1* A 2 H1* A 2 -5.000 -13.634 -8.281 18 H8 A 2 H8 A 2 -1.311 -13.526 -6.936 19 1H6 A 2 H61 A 2 -3.865 -13.373 -1.356 20 2H6 A 2 H62 A 2 -2.366 -13.399 -2.274 21 H2 A 2 H2 A 2 -7.216 -13.760 -4.464 22 1H2* A 2 1H2* A 2 -2.200 -12.640 -8.912 23 2H2* A 2 2H2* A 2 -3.691 -11.657 -9.108 24 1H5* C 3 1H5* C 3 -6.629 -12.797 -9.854 25 2H5* C 3 2H5* C 3 -7.696 -11.559 -10.541 26 H4* C 3 H4* C 3 -8.135 -11.907 -8.141 27 H3* C 3 H3* C 3 -8.013 -9.467 -9.318 28 H1* C 3 H1* C 3 -6.673 -10.279 -6.103 29 1H4 C 3 H41 C 3 -0.408 -9.710 -4.034 30 2H4 C 3 H42 C 3 -1.456 -10.192 -2.697 31 H5 C 3 H5 C 3 -1.394 -9.390 -6.365 32 H6 C 3 H6 C 3 -3.417 -9.517 -7.733 33 1H2* C 3 1H2* C 3 -5.707 -9.305 -8.876 34 2H2* C 3 2H2* C 3 -6.346 -8.196 -7.620 35 1H5* A 4 1H5* A 4 -10.996 -9.867 -5.428 36 2H5* A 4 2H5* A 4 -11.997 -8.578 -6.123 37 H4* A 4 H4* A 4 -12.541 -9.012 -3.753 38 H3* A 4 H3* A 4 -12.376 -6.478 -4.753 39 H1* A 4 H1* A 4 -10.496 -7.245 -1.508 40 H8 A 4 H8 A 4 -8.256 -7.438 -4.705 41 1H6 A 4 H61 A 4 -3.323 -7.953 -0.988 42 2H6 A 4 H62 A 4 -3.885 -7.976 -2.652 43 H2 A 4 H2 A 4 -7.120 -7.799 1.578 44 1H2* A 4 1H2* A 4 -10.093 -6.377 -4.399 45 2H2* A 4 2H2* A 4 -10.773 -5.352 -3.069 46 1H5* A 5 1H5* A 5 -12.719 -6.120 0.052 47 2H5* A 5 2H5* A 5 -13.663 -4.660 0.398 48 H4* A 5 H4* A 5 -11.724 -4.807 1.843 49 H3* A 5 H3* A 5 -12.112 -2.407 0.156 50 H1* A 5 H1* A 5 -9.141 -4.017 1.807 51 H8 A 5 H8 A 5 -8.518 -4.162 -2.126 52 1H6 A 5 H61 A 5 -2.574 -5.108 -0.723 53 2H6 A 5 H62 A 5 -3.749 -4.961 -2.022 54 H2 A 5 H2 A 5 -4.934 -4.607 3.168 55 1H2* A 5 1H2* A 5 -10.120 -2.774 -0.764 56 2H2* A 5 2H2* A 5 -9.701 -1.781 0.708 57 1H5* A 6 1H5* A 6 -10.340 -1.902 4.492 58 2H5* A 6 2H5* A 6 -10.771 -0.324 5.180 59 H4* A 6 H4* A 6 -8.470 -0.971 5.690 60 H3* A 6 H3* A 6 -9.117 1.579 4.602 61 H1* A 6 H1* A 6 -5.952 -0.668 4.252 62 H8 A 6 H8 A 6 -7.779 -0.574 0.748 63 1H6 A 6 H61 A 6 -2.231 -2.194 -1.514 64 2H6 A 6 H62 A 6 -3.914 -1.887 -1.937 65 H2 A 6 H2 A 6 -1.864 -1.635 2.985 66 1H2* A 6 1H2* A 6 -7.916 1.030 2.635 67 2H2* A 6 2H2* A 6 -6.565 1.755 3.602 68 1H5* C 7 1H5* C 7 -5.075 0.383 6.934 69 2H5* C 7 2H5* C 7 -4.954 1.671 8.149 70 H4* C 7 H4* C 7 -2.754 0.688 7.637 71 H3* C 7 H3* C 7 -3.092 3.326 7.970 72 H1* C 7 H1* C 7 -1.180 2.146 5.038 73 1H4 C 7 H41 C 7 -4.529 2.277 -0.836 74 2H4 C 7 H42 C 7 -2.877 1.710 -1.108 75 H5 C 7 H5 C 7 -5.237 3.010 1.504 76 H6 C 7 H6 C 7 -4.617 3.087 3.842 77 1H2* C 7 1H2* C 7 -3.796 3.555 5.649 78 2H2* C 7 2H2* C 7 -2.155 4.299 5.621 79 1H5* A 8 1H5* A 8 1.688 1.740 7.905 80 2H5* A 8 2H5* A 8 2.187 2.881 9.170 81 H4* A 8 H4* A 8 4.119 2.096 7.897 82 H3* A 8 H3* A 8 3.873 4.667 8.538 83 H1* A 8 H1* A 8 4.604 3.875 4.861 84 H8 A 8 H8 A 8 0.737 3.871 5.479 85 1H6 A 8 H61 A 8 0.055 4.119 -0.672 86 2H6 A 8 H62 A 8 -0.782 4.063 0.875 87 H2 A 8 H2 A 8 4.525 4.096 0.321 88 1H2* A 8 1H2* A 8 2.449 5.072 6.623 89 2H2* A 8 2H2* A 8 3.976 5.867 6.102 90 1H5* PYP 9 1H5* PYP 9 7.402 4.120 5.056 91 2H5* PYP 9 2H5* PYP 9 8.722 5.051 5.786 92 H4* PYP 9 H4* PYP 9 8.760 5.291 3.382 93 H1* PYP 9 H1* PYP 9 7.048 7.255 1.609 94 H1 PYP 9 H1 PYP 9 4.780 7.445 4.672 95 H2 PYP 9 H2 PYP 9 2.314 7.409 4.562 96 H3 PYP 9 H3 PYP 9 0.241 7.385 3.280 97 H4 PYP 9 H4 PYP 9 -0.952 7.375 1.065 98 H5 PYP 9 H5 PYP 9 -0.873 7.355 -1.343 99 H6 PYP 9 H6 PYP 9 0.388 7.390 -3.512 100 H7 PYP 9 H7 PYP 9 2.945 7.404 -3.444 101 H8 PYP 9 H8 PYP 9 5.028 7.445 -2.176 102 H9 PYP 9 H9 PYP 9 6.235 7.470 -0.058 103 2H2* PYP 9 2H2* PYP 9 7.407 9.080 3.389 104 1H2* PYP 9 1H2* PYP 9 6.618 7.996 4.588 105 H3* PYP 9 H3* PYP 9 8.875 7.455 5.098 106 1H5* G 10 1H5* G 10 9.263 8.760 0.534 107 2H5* G 10 2H5* G 10 10.371 10.143 0.484 108 H4* G 10 H4* G 10 8.472 10.539 -0.942 109 H3* G 10 H3* G 10 9.234 12.405 1.028 110 H1* G 10 H1* G 10 5.965 11.679 -0.529 111 H8 G 10 H8 G 10 5.245 10.756 3.242 112 H1 G 10 H1 G 10 0.239 11.029 -0.677 113 1H2 G 10 H21 G 10 2.618 11.804 -3.238 114 2H2 G 10 H22 G 10 0.925 11.472 -2.865 115 1H2* G 10 1H2* G 10 7.166 11.988 2.223 116 2H2* G 10 2H2* G 10 6.676 13.377 1.170 117 1H5* C 11 1H5* C 11 8.278 13.339 -3.364 118 2H5* C 11 2H5* C 11 9.059 14.877 -3.784 119 H4* C 11 H4* C 11 7.298 14.227 -5.400 120 H3* C 11 H3* C 11 7.645 16.743 -4.501 121 H1* C 11 H1* C 11 4.149 15.257 -4.518 122 1H4 C 11 H41 C 11 2.505 14.001 1.957 123 2H4 C 11 H42 C 11 1.018 14.024 1.010 124 H5 C 11 H5 C 11 4.710 14.509 0.894 125 H6 C 11 H6 C 11 5.896 14.953 -1.187 126 1H2* C 11 1H2* C 11 6.198 16.469 -2.637 127 2H2* C 11 2H2* C 11 5.085 17.294 -3.763 128 1H5* A 12 1H5* A 12 4.674 17.025 -8.370 129 2H5* A 12 2H5* A 12 4.915 18.537 -9.255 130 H4* A 12 H4* A 12 2.539 17.937 -8.878 131 H3* A 12 H3* A 12 3.532 20.565 -8.464 132 H1* A 12 H1* A 12 0.742 18.513 -6.491 133 H8 A 12 H8 A 12 3.750 19.606 -4.121 134 1H6 A 12 H61 A 12 0.348 17.010 0.328 135 2H6 A 12 H62 A 12 1.879 17.801 -0.035 136 H2 A 12 H2 A 12 -1.821 16.482 -3.649 137 1H2* A 12 1H2* A 12 3.179 20.379 -6.142 138 2H2* A 12 2H2* A 12 1.533 20.992 -6.621 139 1H5* C 13 1H5* C 13 -0.618 18.986 -8.111 140 2H5* C 13 2H5* C 13 -1.618 19.769 -9.342 141 H4* C 13 H4* C 13 -2.977 18.829 -7.531 142 H3* C 13 H3* C 13 -3.421 21.287 -8.605 143 H1* C 13 H1* C 13 -3.522 20.848 -4.932 144 1H4 C 13 H41 C 13 1.916 23.815 -2.118 145 2H4 C 13 H42 C 13 0.891 23.143 -0.850 146 H5 C 13 H5 C 13 1.250 23.588 -4.552 147 H6 C 13 H6 C 13 -0.311 22.676 -6.110 148 H3T C 13 H3T C 13 -4.698 20.144 -6.296 149 1H2* C 13 1H2* C 13 -1.989 22.324 -7.115 150 2H2* C 13 2H2* C 13 -3.592 22.789 -6.432 151 1H5* G 14 1H5* G 14 -3.393 21.232 8.528 152 2H5* G 14 2H5* G 14 -3.929 19.545 8.587 153 H4* G 14 H4* G 14 -5.671 21.009 7.664 154 H3* G 14 H3* G 14 -5.138 18.605 6.642 155 H1* G 14 H1* G 14 -5.283 21.747 4.195 156 H8 G 14 H8 G 14 -1.985 22.620 5.671 157 H1 G 14 H1 G 14 -1.765 21.755 -0.642 158 1H2 G 14 H21 G 14 -5.011 20.313 -0.227 159 2H2 G 14 H22 G 14 -3.728 20.709 -1.385 160 1H2* G 14 1H2* G 14 -3.391 19.562 5.250 161 2H2* G 14 2H2* G 14 -4.685 19.304 4.015 162 H5T G 14 H5T G 14 -2.358 20.610 6.476 163 1H5* T 15 1H5* T 15 -7.408 20.784 2.871 164 2H5* T 15 2H5* T 15 -8.906 19.851 3.006 165 H4* T 15 H4* T 15 -8.442 20.423 0.683 166 H3* T 15 H3* T 15 -9.246 17.965 1.439 167 1H2* T 15 1H2* T 15 -7.019 17.214 1.693 168 2H2* T 15 2H2* T 15 -7.458 16.444 0.124 169 H1* T 15 H1* T 15 -6.504 18.348 -1.090 170 H3 T 15 H3 T 15 -2.134 17.023 -1.106 171 1H5M T 15 H51 T 15 -3.615 16.631 3.958 172 2H5M T 15 H52 T 15 -1.903 16.734 3.479 173 3H5M T 15 H53 T 15 -2.790 18.212 3.850 174 H6 T 15 H6 T 15 -5.242 17.978 2.421 175 1H5* G 16 1H5* G 16 -8.167 17.216 -3.359 176 2H5* G 16 2H5* G 16 -9.505 16.159 -3.838 177 H4* G 16 H4* G 16 -7.435 15.302 -4.667 178 H3* G 16 H3* G 16 -9.078 13.664 -2.966 179 H1* G 16 H1* G 16 -5.251 13.732 -3.827 180 H8 G 16 H8 G 16 -5.853 13.955 0.086 181 H1 G 16 H1 G 16 0.234 13.997 -1.773 182 1H2 G 16 H21 G 16 -0.995 13.858 -5.105 183 2H2 G 16 H22 G 16 0.410 14.149 -4.079 184 1H2* G 16 1H2* G 16 -7.237 13.396 -1.541 185 2H2* G 16 2H2* G 16 -6.816 12.053 -2.690 186 1H5* C 17 1H5* C 17 -6.008 12.906 -5.947 187 2H5* C 17 2H5* C 17 -6.208 11.589 -7.115 188 H4* C 17 H4* C 17 -3.867 12.190 -6.721 189 H3* C 17 H3* C 17 -4.689 9.591 -6.889 190 H1* C 17 H1* C 17 -2.080 11.004 -4.647 191 1H4 C 17 H41 C 17 -3.183 9.855 1.934 192 2H4 C 17 H42 C 17 -1.493 10.276 1.662 193 H5 C 17 H5 C 17 -4.757 9.679 -0.017 194 H6 C 17 H6 C 17 -5.080 9.995 -2.372 195 1H2* C 17 1H2* C 17 -4.784 9.344 -4.512 196 2H2* C 17 2H2* C 17 -3.158 8.654 -4.825 197 1H5* 3DR 18 1H5* 3DR 18 -0.636 10.079 -10.112 198 2H5* 3DR 18 2H5* 3DR 18 -1.339 8.503 -9.713 199 1H4* 3DR 18 1H4* 3DR 18 0.774 8.316 -10.975 200 H3* 3DR 18 H3* 3DR 18 0.126 6.826 -8.724 201 1H2* 3DR 18 1H2* 3DR 18 1.420 8.227 -7.135 202 2H2* 3DR 18 2H2* 3DR 18 2.579 6.919 -7.459 203 1H1* 3DR 18 1H1* 3DR 18 3.573 8.211 -9.277 204 2H1* 3DR 18 2H1* 3DR 18 3.267 9.419 -8.009 205 1H5* T 19 1H5* T 19 5.138 7.151 -8.611 206 2H5* T 19 2H5* T 19 5.922 5.859 -9.524 207 H4* T 19 H4* T 19 6.753 6.077 -7.214 208 H3* T 19 H3* T 19 6.137 3.651 -8.402 209 1H2* T 19 1H2* T 19 4.109 3.515 -7.158 210 2H2* T 19 2H2* T 19 5.193 2.506 -6.117 211 H1* T 19 H1* T 19 5.711 4.581 -4.803 212 H3 T 19 H3 T 19 2.599 4.283 -1.621 213 1H5M T 19 H51 T 19 -0.905 4.077 -4.619 214 2H5M T 19 H52 T 19 -0.262 5.111 -5.910 215 3H5M T 19 H53 T 19 -0.101 3.341 -6.021 216 H6 T 19 H6 T 19 2.339 4.415 -6.413 217 1H5* G 20 1H5* G 20 7.824 3.138 -4.088 218 2H5* G 20 2H5* G 20 8.927 1.756 -4.018 219 H4* G 20 H4* G 20 7.464 1.826 -2.097 220 H3* G 20 H3* G 20 7.532 -0.530 -3.795 221 H1* G 20 H1* G 20 5.187 0.928 -1.294 222 H8 G 20 H8 G 20 3.159 1.171 -4.705 223 H1 G 20 H1 G 20 -0.305 1.098 0.637 224 1H2 G 20 H21 G 20 2.789 0.560 2.326 225 2H2 G 20 H22 G 20 1.080 0.987 2.517 226 1H2* G 20 1H2* G 20 5.218 -0.492 -3.925 227 2H2* G 20 2H2* G 20 5.354 -1.330 -2.309 228 1H5* T 21 1H5* T 21 6.860 0.007 0.836 229 2H5* T 21 2H5* T 21 7.882 -1.195 1.646 230 H4* T 21 H4* T 21 6.047 -0.467 3.076 231 H3* T 21 H3* T 21 6.656 -3.154 2.671 232 1H2* T 21 1H2* T 21 4.776 -3.423 1.300 233 2H2* T 21 2H2* T 21 4.057 -3.960 2.866 234 H1* T 21 H1* T 21 3.210 -1.530 3.167 235 H3 T 21 H3 T 21 -0.694 -2.060 0.885 236 1H5M T 21 H51 T 21 2.952 -2.209 -2.863 237 2H5M T 21 H52 T 21 2.895 -3.933 -2.430 238 3H5M T 21 H53 T 21 1.447 -3.136 -3.073 239 H6 T 21 H6 T 21 3.901 -2.567 -0.349 240 1H5* T 22 1H5* T 22 3.273 -1.948 6.046 241 2H5* T 22 2H5* T 22 3.847 -2.937 7.398 242 H4* T 22 H4* T 22 1.455 -2.689 7.541 243 H3* T 22 H3* T 22 2.714 -5.142 7.700 244 1H2* T 22 1H2* T 22 2.022 -5.656 5.470 245 2H2* T 22 2H2* T 22 0.730 -6.513 6.377 246 H1* T 22 H1* T 22 -0.737 -4.363 6.039 247 H3 T 22 H3 T 22 -2.545 -4.788 1.980 248 1H5M T 22 H51 T 22 1.545 -5.649 -0.099 249 2H5M T 22 H52 T 22 2.631 -4.820 1.024 250 3H5M T 22 H53 T 22 2.337 -6.548 1.221 251 H6 T 22 H6 T 22 1.980 -5.189 3.516 252 1H5* T 23 1H5* T 23 -1.989 -5.304 8.395 253 2H5* T 23 2H5* T 23 -2.286 -6.557 9.611 254 H4* T 23 H4* T 23 -3.974 -6.627 7.965 255 H3* T 23 H3* T 23 -2.172 -8.972 8.018 256 1H2* T 23 1H2* T 23 -2.206 -9.246 6.044 257 2H2* T 23 2H2* T 23 -3.915 -9.818 6.149 258 H1* T 23 H1* T 23 -4.700 -7.552 5.688 259 H3 T 23 H3 T 23 -4.275 -7.704 1.167 260 1H5M T 23 H51 T 23 0.326 -8.814 1.494 261 2H5M T 23 H52 T 23 0.667 -7.990 3.065 262 3H5M T 23 H53 T 23 0.164 -9.678 3.049 263 H6 T 23 H6 T 23 -1.138 -8.308 4.724 264 1H5* G 24 1H5* G 24 -6.742 -9.355 6.725 265 2H5* G 24 2H5* G 24 -7.381 -10.728 7.643 266 H4* G 24 H4* G 24 -8.192 -10.895 5.402 267 H3* G 24 H3* G 24 -6.900 -12.980 6.650 268 H1* G 24 H1* G 24 -6.894 -12.222 3.053 269 H8 G 24 H8 G 24 -3.173 -11.738 4.004 270 H1 G 24 H1 G 24 -4.434 -10.829 -2.175 271 1H2 G 24 H21 G 24 -7.864 -11.270 -1.316 272 2H2 G 24 H22 G 24 -6.685 -11.009 -2.600 273 1H2* G 24 1H2* G 24 -4.912 -12.514 5.325 274 2H2* G 24 2H2* G 24 -5.671 -13.921 4.481 275 1H5* T 25 1H5* T 25 -10.575 -13.408 4.332 276 2H5* T 25 2H5* T 25 -11.548 -14.860 4.626 277 H4* T 25 H4* T 25 -12.049 -13.696 2.463 278 H3* T 25 H3* T 25 -12.078 -16.362 2.726 279 1H2* T 25 1H2* T 25 -9.656 -16.477 2.290 280 2H2* T 25 2H2* T 25 -10.348 -17.070 0.730 281 H1* T 25 H1* T 25 -10.344 -14.747 -0.115 282 H3 T 25 H3 T 25 -6.269 -14.543 -1.984 283 1H5M T 25 H51 T 25 -4.870 -14.626 2.886 284 2H5M T 25 H52 T 25 -5.372 -16.340 2.963 285 3H5M T 25 H53 T 25 -4.077 -15.811 1.863 286 H6 T 25 H6 T 25 -7.688 -15.432 2.514 287 1H5* G 26 1H5* G 26 -10.994 -16.851 -1.314 288 2H5* G 26 2H5* G 26 -11.451 -15.436 -2.266 289 H4* G 26 H4* G 26 -12.311 -16.823 -4.065 290 H3* G 26 H3* G 26 -12.907 -18.892 -2.507 291 H1* G 26 H1* G 26 -9.614 -19.201 -4.369 292 H8 G 26 H8 G 26 -8.664 -18.925 -0.767 293 H1 G 26 H1 G 26 -4.035 -16.666 -4.510 294 1H2 G 26 H21 G 26 -6.416 -16.721 -7.148 295 2H2 G 26 H22 G 26 -4.733 -16.475 -6.711 296 H3T G 26 H3T G 26 -13.030 -18.950 -4.810 297 1H2* G 26 1H2* G 26 -10.667 -18.860 -1.537 298 2H2* G 26 2H2* G 26 -10.641 -20.365 -2.514 Start of MODEL 6 1 1H5* C 1 1H5* C 1 3.260 -17.591 -8.517 2 2H5* C 1 2H5* C 1 3.687 -16.462 -9.819 3 H4* C 1 H4* C 1 1.438 -17.380 -10.153 4 H3* C 1 H3* C 1 2.037 -14.768 -10.494 5 H1* C 1 H1* C 1 -1.098 -15.820 -8.802 6 1H4 C 1 H41 C 1 -0.932 -14.865 -2.082 7 2H4 C 1 H42 C 1 -2.623 -14.816 -2.542 8 H5 C 1 H5 C 1 0.869 -15.305 -3.718 9 H6 C 1 H6 C 1 1.458 -15.626 -6.032 10 1H2* C 1 1H2* C 1 1.443 -14.262 -8.184 11 2H2* C 1 2H2* C 1 0.018 -13.663 -9.112 12 H5T C 1 H5T C 1 3.124 -14.758 -8.409 13 1H5* A 2 1H5* A 2 -2.868 -14.504 -11.363 14 2H5* A 2 2H5* A 2 -2.774 -13.200 -12.560 15 H4* A 2 H4* A 2 -4.459 -12.648 -11.012 16 H3* A 2 H3* A 2 -2.145 -10.905 -11.199 17 H1* A 2 H1* A 2 -4.981 -11.578 -8.550 18 H8 A 2 H8 A 2 -1.409 -12.143 -7.013 19 1H6 A 2 H61 A 2 -4.229 -12.638 -1.624 20 2H6 A 2 H62 A 2 -2.714 -12.730 -2.506 21 H2 A 2 H2 A 2 -7.448 -12.109 -4.876 22 1H2* A 2 1H2* A 2 -2.041 -10.873 -8.837 23 2H2* A 2 2H2* A 2 -3.387 -9.686 -8.976 24 1H5* C 3 1H5* C 3 -6.341 -10.295 -10.093 25 2H5* C 3 2H5* C 3 -7.193 -8.832 -10.621 26 H4* C 3 H4* C 3 -7.900 -9.528 -8.359 27 H3* C 3 H3* C 3 -7.399 -6.956 -9.074 28 H1* C 3 H1* C 3 -6.414 -8.423 -5.946 29 1H4 C 3 H41 C 3 -0.308 -9.050 -3.493 30 2H4 C 3 H42 C 3 -1.505 -9.619 -2.329 31 H5 C 3 H5 C 3 -1.075 -8.203 -5.780 32 H6 C 3 H6 C 3 -2.974 -7.831 -7.252 33 1H2* C 3 1H2* C 3 -5.139 -7.187 -8.479 34 2H2* C 3 2H2* C 3 -5.736 -6.201 -7.107 35 1H5* A 4 1H5* A 4 -10.645 -7.654 -5.482 36 2H5* A 4 2H5* A 4 -11.476 -6.153 -5.944 37 H4* A 4 H4* A 4 -12.201 -6.988 -3.729 38 H3* A 4 H3* A 4 -11.760 -4.350 -4.216 39 H1* A 4 H1* A 4 -10.091 -5.873 -1.118 40 H8 A 4 H8 A 4 -7.736 -5.618 -4.212 41 1H6 A 4 H61 A 4 -3.115 -7.598 -0.562 42 2H6 A 4 H62 A 4 -3.513 -6.996 -2.162 43 H2 A 4 H2 A 4 -7.004 -7.545 1.836 44 1H2* A 4 1H2* A 4 -9.491 -4.540 -3.786 45 2H2* A 4 2H2* A 4 -10.127 -3.715 -2.304 46 1H5* A 5 1H5* A 5 -12.172 -4.813 0.562 47 2H5* A 5 2H5* A 5 -12.999 -3.352 1.126 48 H4* A 5 H4* A 5 -11.162 -3.887 2.588 49 H3* A 5 H3* A 5 -11.291 -1.280 1.303 50 H1* A 5 H1* A 5 -8.452 -3.291 2.738 51 H8 A 5 H8 A 5 -7.776 -2.966 -1.159 52 1H6 A 5 H61 A 5 -2.047 -4.923 0.115 53 2H6 A 5 H62 A 5 -3.145 -4.393 -1.150 54 H2 A 5 H2 A 5 -4.426 -4.724 4.014 55 1H2* A 5 1H2* A 5 -9.256 -1.683 0.327 56 2H2* A 5 2H2* A 5 -8.754 -0.959 1.932 57 1H5* A 6 1H5* A 6 -9.373 -1.083 5.742 58 2H5* A 6 2H5* A 6 -9.766 0.510 6.408 59 H4* A 6 H4* A 6 -7.418 -0.073 6.730 60 H3* A 6 H3* A 6 -8.190 2.412 5.520 61 H1* A 6 H1* A 6 -5.043 0.129 5.226 62 H8 A 6 H8 A 6 -6.834 0.245 1.672 63 1H6 A 6 H61 A 6 -1.525 -2.103 -0.453 64 2H6 A 6 H62 A 6 -3.161 -1.614 -0.880 65 H2 A 6 H2 A 6 -1.142 -1.504 4.061 66 1H2* A 6 1H2* A 6 -6.986 1.816 3.579 67 2H2* A 6 2H2* A 6 -5.623 2.544 4.541 68 1H5* C 7 1H5* C 7 -4.362 1.639 8.344 69 2H5* C 7 2H5* C 7 -4.047 3.124 9.264 70 H4* C 7 H4* C 7 -1.987 1.802 8.830 71 H3* C 7 H3* C 7 -2.029 4.490 8.720 72 H1* C 7 H1* C 7 -0.413 2.588 6.000 73 1H4 C 7 H41 C 7 -3.919 2.356 0.220 74 2H4 C 7 H42 C 7 -2.382 1.519 -0.001 75 H5 C 7 H5 C 7 -4.389 3.554 2.409 76 H6 C 7 H6 C 7 -3.689 3.869 4.706 77 1H2* C 7 1H2* C 7 -2.804 4.413 6.424 78 2H2* C 7 2H2* C 7 -1.089 4.920 6.218 79 1H5* A 8 1H5* A 8 2.492 2.127 8.223 80 2H5* A 8 2H5* A 8 3.291 3.350 9.226 81 H4* A 8 H4* A 8 4.917 2.213 7.823 82 H3* A 8 H3* A 8 4.932 4.869 8.137 83 H1* A 8 H1* A 8 5.209 3.503 4.591 84 H8 A 8 H8 A 8 1.432 4.022 5.473 85 1H6 A 8 H61 A 8 0.279 3.647 -0.617 86 2H6 A 8 H62 A 8 -0.439 3.848 0.975 87 H2 A 8 H2 A 8 4.784 3.240 0.073 88 1H2* A 8 1H2* A 8 3.347 5.140 6.335 89 2H2* A 8 2H2* A 8 4.868 5.718 5.561 90 1H5* PYP 9 1H5* PYP 9 8.031 4.074 4.580 91 2H5* PYP 9 2H5* PYP 9 9.451 5.072 4.950 92 H4* PYP 9 H4* PYP 9 8.921 5.205 2.595 93 H1* PYP 9 H1* PYP 9 7.211 6.629 0.914 94 H1 PYP 9 H1 PYP 9 5.068 7.394 3.960 95 H2 PYP 9 H2 PYP 9 2.597 7.205 3.917 96 H3 PYP 9 H3 PYP 9 0.506 6.938 2.671 97 H4 PYP 9 H4 PYP 9 -0.706 6.656 0.491 98 H5 PYP 9 H5 PYP 9 -0.664 6.450 -1.935 99 H6 PYP 9 H6 PYP 9 0.570 6.374 -4.098 100 H7 PYP 9 H7 PYP 9 3.117 6.525 -4.081 101 H8 PYP 9 H8 PYP 9 5.213 6.812 -2.853 102 H9 PYP 9 H9 PYP 9 6.437 7.100 -0.748 103 2H2* PYP 9 2H2* PYP 9 7.760 8.842 2.149 104 1H2* PYP 9 1H2* PYP 9 6.919 8.139 3.579 105 H3* PYP 9 H3* PYP 9 9.049 7.557 4.283 106 1H5* G 10 1H5* G 10 9.861 8.799 -0.292 107 2H5* G 10 2H5* G 10 10.865 10.253 -0.160 108 H4* G 10 H4* G 10 8.989 10.683 -1.588 109 H3* G 10 H3* G 10 9.480 12.323 0.690 110 H1* G 10 H1* G 10 6.458 11.555 -1.322 111 H8 G 10 H8 G 10 5.530 10.297 2.304 112 H1 G 10 H1 G 10 0.738 10.410 -1.882 113 1H2 G 10 H21 G 10 3.119 11.580 -4.258 114 2H2 G 10 H22 G 10 1.455 11.053 -3.965 115 1H2* G 10 1H2* G 10 7.350 11.737 1.555 116 2H2* G 10 2H2* G 10 6.881 13.173 0.545 117 1H5* C 11 1H5* C 11 8.016 13.518 -3.659 118 2H5* C 11 2H5* C 11 8.665 15.141 -3.961 119 H4* C 11 H4* C 11 6.765 14.661 -5.421 120 H3* C 11 H3* C 11 7.059 16.981 -3.976 121 H1* C 11 H1* C 11 3.747 15.236 -4.541 122 1H4 C 11 H41 C 11 1.677 12.984 1.544 123 2H4 C 11 H42 C 11 0.259 13.080 0.504 124 H5 C 11 H5 C 11 3.918 13.827 0.760 125 H6 C 11 H6 C 11 5.204 14.643 -1.127 126 1H2* C 11 1H2* C 11 5.480 16.380 -2.307 127 2H2* C 11 2H2* C 11 4.411 17.252 -3.416 128 1H5* A 12 1H5* A 12 4.163 17.630 -7.863 129 2H5* A 12 2H5* A 12 4.437 19.280 -8.448 130 H4* A 12 H4* A 12 2.100 18.528 -8.697 131 H3* A 12 H3* A 12 2.746 21.053 -7.689 132 H1* A 12 H1* A 12 -0.138 18.631 -6.349 133 H8 A 12 H8 A 12 2.761 19.345 -3.704 134 1H6 A 12 H61 A 12 -0.543 15.870 0.161 135 2H6 A 12 H62 A 12 0.956 16.762 -0.070 136 H2 A 12 H2 A 12 -2.627 15.864 -3.909 137 1H2* A 12 1H2* A 12 2.210 20.423 -5.495 138 2H2* A 12 2H2* A 12 0.583 21.066 -6.014 139 1H5* C 13 1H5* C 13 -1.300 19.473 -8.272 140 2H5* C 13 2H5* C 13 -2.448 20.561 -9.074 141 H4* C 13 H4* C 13 -3.572 19.032 -7.494 142 H3* C 13 H3* C 13 -4.103 21.745 -7.613 143 H1* C 13 H1* C 13 -3.843 19.935 -4.434 144 1H4 C 13 H41 C 13 1.573 22.065 -0.904 145 2H4 C 13 H42 C 13 0.593 20.949 0.056 146 H5 C 13 H5 C 13 0.550 22.963 -3.098 147 H6 C 13 H6 C 13 -1.032 22.565 -4.827 148 H3T C 13 H3T C 13 -5.183 19.779 -5.810 149 1H2* C 13 1H2* C 13 -2.562 22.212 -6.018 150 2H2* C 13 2H2* C 13 -4.089 22.336 -5.063 151 1H5* G 14 1H5* G 14 -6.322 20.864 7.874 152 2H5* G 14 2H5* G 14 -7.106 19.279 8.030 153 H4* G 14 H4* G 14 -8.269 20.705 6.421 154 H3* G 14 H3* G 14 -7.827 18.103 5.961 155 H1* G 14 H1* G 14 -6.841 20.775 3.166 156 H8 G 14 H8 G 14 -3.954 21.489 5.443 157 H1 G 14 H1 G 14 -2.207 19.550 -0.371 158 1H2 G 14 H21 G 14 -5.638 18.582 -0.702 159 2H2 G 14 H22 G 14 -4.086 18.743 -1.546 160 1H2* G 14 1H2* G 14 -5.665 18.591 4.984 161 2H2* G 14 2H2* G 14 -6.614 18.285 3.489 162 H5T G 14 H5T G 14 -4.861 19.767 6.354 163 1H5* T 15 1H5* T 15 -9.358 19.278 1.414 164 2H5* T 15 2H5* T 15 -10.730 18.159 1.349 165 H4* T 15 H4* T 15 -9.566 18.198 -0.760 166 H3* T 15 H3* T 15 -10.152 15.811 0.562 167 1H2* T 15 1H2* T 15 -7.911 15.443 1.071 168 2H2* T 15 2H2* T 15 -8.001 14.509 -0.470 169 H1* T 15 H1* T 15 -7.231 16.589 -1.675 170 H3 T 15 H3 T 15 -2.779 15.727 -1.098 171 1H5M T 15 H51 T 15 -4.716 15.563 3.794 172 2H5M T 15 H52 T 15 -3.040 16.089 3.521 173 3H5M T 15 H53 T 15 -4.336 17.297 3.633 174 H6 T 15 H6 T 15 -6.361 16.591 1.972 175 1H5* G 16 1H5* G 16 -8.917 15.252 -4.161 176 2H5* G 16 2H5* G 16 -10.076 14.043 -4.726 177 H4* G 16 H4* G 16 -7.947 13.813 -5.852 178 H3* G 16 H3* G 16 -9.250 11.639 -4.773 179 H1* G 16 H1* G 16 -5.380 12.225 -4.904 180 H8 G 16 H8 G 16 -6.466 12.112 -1.091 181 H1 G 16 H1 G 16 -0.328 13.394 -2.244 182 1H2 G 16 H21 G 16 -1.181 13.330 -5.689 183 2H2 G 16 H22 G 16 0.048 13.764 -4.502 184 1H2* G 16 1H2* G 16 -7.652 11.571 -2.949 185 2H2* G 16 2H2* G 16 -6.913 10.366 -4.085 186 1H5* C 17 1H5* C 17 -5.497 11.967 -7.303 187 2H5* C 17 2H5* C 17 -5.386 10.792 -8.621 188 H4* C 17 H4* C 17 -3.208 11.705 -7.961 189 H3* C 17 H3* C 17 -3.536 9.063 -8.507 190 H1* C 17 H1* C 17 -1.408 10.488 -5.842 191 1H4 C 17 H41 C 17 -2.701 8.537 0.464 192 2H4 C 17 H42 C 17 -1.075 9.212 0.334 193 H5 C 17 H5 C 17 -4.164 8.388 -1.601 194 H6 C 17 H6 C 17 -4.402 8.914 -3.911 195 1H2* C 17 1H2* C 17 -3.859 8.505 -6.197 196 2H2* C 17 2H2* C 17 -2.136 8.072 -6.408 197 1H5* 3DR 18 1H5* 3DR 18 -0.835 7.943 -10.680 198 2H5* 3DR 18 2H5* 3DR 18 -1.401 6.375 -10.089 199 1H4* 3DR 18 1H4* 3DR 18 0.656 6.190 -11.419 200 H3* 3DR 18 H3* 3DR 18 0.276 4.814 -9.074 201 1H2* 3DR 18 1H2* 3DR 18 1.460 6.588 -7.635 202 2H2* 3DR 18 2H2* 3DR 18 2.688 5.329 -7.851 203 1H1* 3DR 18 1H1* 3DR 18 3.541 6.390 -9.850 204 2H1* 3DR 18 2H1* 3DR 18 3.232 7.763 -8.751 205 1H5* T 19 1H5* T 19 4.517 4.668 -9.193 206 2H5* T 19 2H5* T 19 5.177 3.115 -9.726 207 H4* T 19 H4* T 19 6.486 4.228 -7.885 208 H3* T 19 H3* T 19 6.109 1.556 -8.108 209 1H2* T 19 1H2* T 19 4.077 1.686 -6.835 210 2H2* T 19 2H2* T 19 5.215 1.000 -5.618 211 H1* T 19 H1* T 19 5.711 3.339 -4.844 212 H3 T 19 H3 T 19 2.616 3.546 -1.656 213 1H5M T 19 H51 T 19 -0.084 1.823 -5.809 214 2H5M T 19 H52 T 19 -0.897 2.821 -4.591 215 3H5M T 19 H53 T 19 -0.235 3.580 -6.059 216 H6 T 19 H6 T 19 2.361 2.835 -6.398 217 1H5* G 20 1H5* G 20 7.880 2.166 -3.571 218 2H5* G 20 2H5* G 20 9.035 0.827 -3.458 219 H4* G 20 H4* G 20 7.784 1.010 -1.404 220 H3* G 20 H3* G 20 7.883 -1.428 -2.862 221 H1* G 20 H1* G 20 5.450 -0.069 -0.440 222 H8 G 20 H8 G 20 3.228 0.066 -3.801 223 H1 G 20 H1 G 20 0.102 0.751 1.696 224 1H2 G 20 H21 G 20 3.243 0.342 3.324 225 2H2 G 20 H22 G 20 1.523 0.708 3.504 226 1H2* G 20 1H2* G 20 5.522 -1.381 -3.139 227 2H2* G 20 2H2* G 20 5.707 -2.277 -1.552 228 1H5* T 21 1H5* T 21 7.739 -1.161 1.984 229 2H5* T 21 2H5* T 21 8.604 -2.571 2.617 230 H4* T 21 H4* T 21 6.872 -1.760 4.164 231 H3* T 21 H3* T 21 7.190 -4.442 3.516 232 1H2* T 21 1H2* T 21 5.307 -4.370 2.099 233 2H2* T 21 2H2* T 21 4.507 -4.991 3.592 234 H1* T 21 H1* T 21 3.912 -2.545 4.151 235 H3 T 21 H3 T 21 0.014 -2.229 1.867 236 1H5M T 21 H51 T 21 1.942 -3.470 -2.167 237 2H5M T 21 H52 T 21 3.536 -2.728 -1.943 238 3H5M T 21 H53 T 21 3.303 -4.454 -1.587 239 H6 T 21 H6 T 21 4.466 -3.407 0.554 240 1H5* T 22 1H5* T 22 4.147 -3.393 7.189 241 2H5* T 22 2H5* T 22 4.507 -4.653 8.382 242 H4* T 22 H4* T 22 2.178 -3.963 8.508 243 H3* T 22 H3* T 22 2.970 -6.616 8.437 244 1H2* T 22 1H2* T 22 2.259 -6.763 6.151 245 2H2* T 22 2H2* T 22 0.802 -7.438 6.956 246 H1* T 22 H1* T 22 -0.213 -5.021 6.827 247 H3 T 22 H3 T 22 -2.014 -4.896 2.746 248 1H5M T 22 H51 T 22 2.561 -7.337 1.913 249 2H5M T 22 H52 T 22 1.882 -6.312 0.626 250 3H5M T 22 H53 T 22 3.083 -5.650 1.745 251 H6 T 22 H6 T 22 2.370 -6.102 4.268 252 1H5* T 23 1H5* T 23 -1.862 -6.077 9.111 253 2H5* T 23 2H5* T 23 -2.286 -7.410 10.198 254 H4* T 23 H4* T 23 -3.988 -7.117 8.554 255 H3* T 23 H3* T 23 -2.470 -9.656 8.423 256 1H2* T 23 1H2* T 23 -2.489 -9.761 6.436 257 2H2* T 23 2H2* T 23 -4.254 -10.141 6.476 258 H1* T 23 H1* T 23 -4.770 -7.769 6.171 259 H3 T 23 H3 T 23 -4.222 -7.589 1.664 260 1H5M T 23 H51 T 23 -0.101 -10.215 3.440 261 2H5M T 23 H52 T 23 0.217 -9.231 1.988 262 3H5M T 23 H53 T 23 0.592 -8.606 3.640 263 H6 T 23 H6 T 23 -1.287 -8.845 5.222 264 1H5* G 24 1H5* G 24 -6.875 -9.236 7.037 265 2H5* G 24 2H5* G 24 -7.839 -10.559 7.712 266 H4* G 24 H4* G 24 -8.501 -10.235 5.445 267 H3* G 24 H3* G 24 -7.586 -12.725 6.364 268 H1* G 24 H1* G 24 -7.568 -11.272 2.920 269 H8 G 24 H8 G 24 -3.806 -11.624 3.940 270 H1 G 24 H1 G 24 -4.658 -10.001 -2.154 271 1H2 G 24 H21 G 24 -8.158 -10.001 -1.468 272 2H2 G 24 H22 G 24 -6.882 -9.774 -2.669 273 1H2* G 24 1H2* G 24 -5.697 -12.568 4.908 274 2H2* G 24 2H2* G 24 -6.886 -13.476 3.870 275 1H5* T 25 1H5* T 25 -11.291 -12.097 3.869 276 2H5* T 25 2H5* T 25 -12.551 -13.344 3.804 277 H4* T 25 H4* T 25 -12.422 -11.960 1.742 278 H3* T 25 H3* T 25 -12.812 -14.642 1.732 279 1H2* T 25 1H2* T 25 -10.416 -15.046 1.518 280 2H2* T 25 2H2* T 25 -10.980 -15.308 -0.188 281 H1* T 25 H1* T 25 -10.561 -12.914 -0.636 282 H3 T 25 H3 T 25 -6.393 -13.072 -2.145 283 1H5M T 25 H51 T 25 -6.250 -15.819 2.427 284 2H5M T 25 H52 T 25 -4.783 -15.345 1.558 285 3H5M T 25 H53 T 25 -5.458 -14.250 2.763 286 H6 T 25 H6 T 25 -8.309 -14.426 2.046 287 1H5* G 26 1H5* G 26 -12.052 -13.211 -4.009 288 2H5* G 26 2H5* G 26 -13.536 -14.162 -3.900 289 H4* G 26 H4* G 26 -12.112 -15.107 -5.591 290 H3* G 26 H3* G 26 -13.261 -16.724 -3.722 291 H1* G 26 H1* G 26 -9.848 -17.216 -4.920 292 H8 G 26 H8 G 26 -9.069 -17.156 -1.327 293 H1 G 26 H1 G 26 -4.075 -15.289 -4.824 294 1H2 G 26 H21 G 26 -6.387 -14.941 -7.501 295 2H2 G 26 H22 G 26 -4.698 -14.868 -7.023 296 H3T G 26 H3T G 26 -11.360 -17.508 -5.685 297 1H2* G 26 1H2* G 26 -11.220 -16.473 -2.311 298 2H2* G 26 2H2* G 26 -11.080 -18.140 -2.993
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