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435 lines
29 KiB
435 lines
29 KiB
system |
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432 |
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1SLV O 1 0.303 1.233 1.934 -0.1362 0.3295 -0.0072 |
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1SLV H 2 0.206 1.230 1.939 -0.2061 -1.1571 1.8234 |
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1SLV H1 3 0.339 1.252 2.025 2.1303 -1.7782 0.7066 |
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2SLV O 4 0.514 2.027 0.416 0.3495 0.0158 0.1346 |
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2SLV H 5 0.592 2.014 0.361 0.8116 1.4066 -0.2411 |
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3SLV H 8 1.716 1.455 0.793 0.1529 -1.5244 1.4468 |
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80SLV O 238 0.893 0.116 0.408 -0.1524 -0.3482 0.3438 |
|
80SLV H 239 0.869 0.167 0.485 -0.3516 0.6313 -0.8072 |
|
80SLV H1 240 0.855 0.028 0.425 0.5397 -0.2590 2.3132 |
|
81SLV O 241 1.192 1.048 0.116 -0.2759 0.0163 0.0794 |
|
81SLV H 242 1.280 1.008 0.107 0.9495 -0.5999 0.1466 |
|
81SLV H1 243 1.131 0.972 0.116 -1.3812 0.4660 -0.3000 |
|
82SLV O 244 0.793 1.534 0.563 0.6081 -0.3527 0.1610 |
|
82SLV H 245 0.698 1.553 0.575 0.8927 1.9404 -1.1327 |
|
82SLV H1 246 0.835 1.579 0.639 -0.1279 0.1071 0.5295 |
|
83SLV O 247 1.029 0.810 2.085 0.5595 -0.1801 0.0983 |
|
83SLV H 248 0.961 0.745 2.055 -0.1887 -0.4880 -0.3874 |
|
83SLV H1 249 1.049 0.871 2.009 -2.0836 -0.6227 -0.7457 |
|
84SLV O 250 1.531 0.666 1.417 -0.1416 0.7588 0.3916 |
|
84SLV H 251 1.532 0.604 1.493 1.1722 -0.8921 -0.9916 |
|
84SLV H1 252 1.440 0.654 1.382 0.9982 -2.3600 -0.9817 |
|
85SLV O 253 1.529 1.706 0.691 0.7027 -0.0235 0.1188 |
|
85SLV H 254 1.520 1.767 0.616 -0.8084 0.3207 1.0570 |
|
85SLV H1 255 1.567 1.623 0.656 2.0716 0.5887 0.0143 |
|
86SLV O 256 0.790 0.318 1.594 -0.1008 -0.1070 0.2389 |
|
86SLV H 257 0.702 0.295 1.558 -0.2092 1.8767 -0.6026 |
|
86SLV H1 258 0.769 0.383 1.664 -0.2222 0.2261 0.0700 |
|
87SLV O 259 1.876 1.280 1.903 -0.3606 -0.5879 0.2128 |
|
87SLV H 260 1.781 1.253 1.890 -0.2340 1.3462 1.9811 |
|
87SLV H1 261 1.888 1.291 2.000 0.5408 1.2179 -0.2335 |
|
88SLV O 262 1.949 0.759 0.679 0.1041 0.6524 0.3054 |
|
88SLV H 263 1.928 0.666 0.697 0.1462 0.4420 -1.3874 |
|
88SLV H1 264 2.010 0.756 0.602 -0.5286 0.7171 -0.0464 |
|
89SLV O 265 0.972 0.629 0.963 -0.3708 -0.1388 0.1205 |
|
89SLV H 266 0.971 0.618 0.866 -1.3965 1.0417 0.5863 |
|
89SLV H1 267 0.936 0.545 1.000 0.3608 -0.8705 -3.1455 |
|
90SLV O 268 0.326 0.973 0.818 -0.4042 0.4601 0.0410 |
|
90SLV H 269 0.255 0.957 0.753 0.9223 0.3221 -1.4396 |
|
90SLV H1 270 0.357 0.885 0.845 -0.1475 0.3188 -1.3354 |
|
91SLV O 271 0.576 1.284 1.393 -0.5063 0.3033 -0.1166 |
|
91SLV H 272 0.487 1.322 1.392 0.3913 1.7665 2.0339 |
|
91SLV H1 273 0.639 1.356 1.374 -0.0598 -0.4773 -0.3131 |
|
92SLV O 274 0.615 0.333 1.961 0.2956 0.0021 0.1315 |
|
92SLV H 275 0.657 0.371 1.881 0.8808 -1.5984 -1.0610 |
|
92SLV H1 276 0.678 0.272 2.001 -0.8281 -0.1213 2.3471 |
|
93SLV O 277 0.631 1.437 0.144 -0.3296 0.6812 -0.2136 |
|
93SLV H 278 0.705 1.473 0.089 -0.5858 0.8205 -0.8772 |
|
93SLV H1 279 0.565 1.407 0.078 -1.1131 0.3132 0.4853 |
|
94SLV O 280 0.049 1.461 0.367 -0.1008 0.5125 0.3406 |
|
94SLV H 281 0.004 1.399 0.315 1.4399 2.6048 2.7144 |
|
94SLV H1 282 0.001 1.541 0.382 0.6614 -2.5906 -0.0509 |
|
95SLV O 283 1.152 1.146 1.308 -0.1786 0.0843 -0.2032 |
|
95SLV H 284 1.149 1.192 1.395 1.4807 -1.8936 0.4865 |
|
95SLV H1 285 1.096 1.204 1.255 0.0127 4.0972 2.6234 |
|
96SLV O 286 2.091 1.909 1.843 -0.8280 -0.3193 -0.1048 |
|
96SLV H 287 2.176 1.933 1.884 -0.3490 0.1267 -1.1062 |
|
96SLV H1 288 2.102 1.818 1.808 0.9687 0.5545 -1.0337 |
|
97SLV O 289 0.728 1.777 1.379 0.4079 0.5153 0.0868 |
|
97SLV H 290 0.767 1.754 1.293 -1.8329 0.9711 -0.8882 |
|
97SLV H1 291 0.631 1.758 1.374 0.3600 0.4211 2.2894 |
|
98SLV O 292 1.755 0.653 0.157 0.5496 -0.5084 0.4378 |
|
98SLV H 293 1.728 0.581 0.217 2.2695 -0.7693 0.8925 |
|
98SLV H1 294 1.672 0.676 0.108 0.1293 -2.3280 1.3867 |
|
99SLV O 295 2.017 0.155 0.997 0.2256 -0.1805 -0.0500 |
|
99SLV H 296 1.926 0.162 1.029 -0.0229 -1.6426 -1.0020 |
|
99SLV H1 297 2.043 0.249 0.993 -2.1443 0.4099 -1.7652 |
|
100SLV O 298 1.977 1.020 0.340 -0.2433 0.6228 0.0574 |
|
100SLV H 299 2.001 0.932 0.381 2.4829 1.7110 -0.9950 |
|
100SLV H1 300 2.004 1.026 0.249 2.3591 0.3086 0.0181 |
|
101URA C 301 2.026 1.943 0.861 -0.1945 0.5720 0.2351 |
|
101URA O 302 1.967 1.936 0.754 0.3654 0.0008 -0.2535 |
|
101URA N 303 2.143 2.013 0.851 0.1372 0.1217 -0.2241 |
|
101URA N1 304 2.035 1.835 0.950 0.3667 0.2041 -0.1191 |
|
101URA H 305 2.170 2.050 0.761 -0.2636 -1.1816 0.2250 |
|
101URA H1 306 2.210 1.986 0.921 0.0965 -0.1735 0.3081 |
|
101URA H2 307 1.961 1.765 0.946 0.1753 0.0679 -0.0382 |
|
101URA H3 308 2.124 1.810 0.993 -0.0039 -3.5591 -2.5438 |
|
102URA C 309 1.945 1.669 0.486 0.3902 0.3243 0.5863 |
|
102URA O 310 1.899 1.580 0.416 -0.4707 0.2606 0.4946 |
|
102URA N 311 1.956 1.800 0.436 0.5127 0.5291 0.0727 |
|
102URA N1 312 1.948 1.667 0.623 0.3219 0.1103 0.4387 |
|
102URA H 313 1.985 1.867 0.505 -2.2716 1.5454 -0.5226 |
|
102URA H1 314 1.969 1.819 0.337 -3.5351 0.0079 -1.2822 |
|
102URA H2 315 1.864 1.636 0.666 -1.0962 2.4732 -1.1743 |
|
102URA H3 316 1.979 1.756 0.666 -2.3861 1.6347 -1.2588 |
|
103URA C 317 1.547 0.646 0.704 -0.2052 -0.0920 0.0874 |
|
103URA O 318 1.624 0.570 0.756 -0.0247 -0.8314 -0.3477 |
|
103URA N 319 1.422 0.672 0.758 0.6289 -0.3889 -0.1127 |
|
103URA N1 320 1.595 0.759 0.644 0.1279 0.0932 0.3563 |
|
103URA H 321 1.387 0.614 0.833 -1.8026 -0.3275 -0.4423 |
|
103URA H1 322 1.366 0.753 0.738 0.8747 0.4877 -0.1007 |
|
103URA H2 323 1.690 0.752 0.611 -0.7474 -1.0442 -2.4608 |
|
103URA H3 324 1.553 0.849 0.666 -0.7341 -0.5473 1.7722 |
|
104URA C 325 1.498 0.346 1.126 0.0715 -0.1955 0.3172 |
|
104URA O 326 1.418 0.273 1.181 0.0026 -0.3175 0.7099 |
|
104URA N 327 1.569 0.440 1.199 0.6740 0.0657 0.1393 |
|
104URA N1 328 1.486 0.368 0.986 0.3783 0.2242 0.6782 |
|
104URA H 329 1.559 0.450 1.300 0.7626 -2.5511 0.4811 |
|
104URA H1 330 1.614 0.513 1.138 1.1041 -1.3865 -2.5741 |
|
104URA H2 331 1.444 0.287 0.934 -2.0333 -0.4887 2.3589 |
|
104URA H3 332 1.550 0.432 0.939 1.1697 0.9711 1.5649 |
|
105URA C 333 0.886 1.152 0.670 0.6445 0.0475 -0.1379 |
|
105URA O 334 0.919 1.033 0.672 -0.1500 -0.6904 0.3111 |
|
105URA N 335 0.762 1.180 0.604 0.3924 -0.4613 -0.6298 |
|
105URA N1 336 0.975 1.258 0.646 -0.3101 -0.0589 -0.7940 |
|
105URA H 337 0.685 1.122 0.639 -0.6038 -0.5390 -2.8597 |
|
105URA H1 338 0.740 1.275 0.574 -0.4274 0.7503 1.9174 |
|
105URA H2 339 1.073 1.229 0.650 1.1563 1.6414 0.9275 |
|
105URA H3 340 0.952 1.323 0.572 -0.3721 1.4040 1.8365 |
|
106URA C 341 1.655 0.214 0.143 0.6540 0.0390 -0.0350 |
|
106URA O 342 1.684 0.329 0.119 0.5424 -0.0137 0.1904 |
|
106URA N 343 1.522 0.183 0.146 0.1819 -0.6081 -0.5139 |
|
106URA N1 344 1.729 0.151 0.240 0.4069 -0.0114 -0.3743 |
|
106URA H 345 1.468 0.264 0.118 2.1458 0.4868 0.2476 |
|
106URA H1 346 1.488 0.131 0.226 -1.7950 0.1387 0.1530 |
|
106URA H2 347 1.785 0.211 0.299 -0.1598 0.5800 0.1510 |
|
106URA H3 348 1.715 0.056 0.273 -0.0738 -0.2331 -0.4265 |
|
107URA C 349 1.273 0.291 1.631 -0.2559 0.0009 0.2335 |
|
107URA O 350 1.323 0.399 1.608 -0.1052 -0.7689 -0.3672 |
|
107URA N 351 1.187 0.242 1.536 0.2690 0.3911 0.3691 |
|
107URA N1 352 1.319 0.200 1.729 -0.8506 -0.0480 0.0767 |
|
107URA H 353 1.149 0.299 1.460 -1.2430 0.5755 1.7155 |
|
107URA H1 354 1.156 0.147 1.543 0.2383 0.2280 1.6801 |
|
107URA H2 355 1.416 0.206 1.755 -0.9529 1.5649 0.1727 |
|
107URA H3 356 1.279 0.106 1.731 0.7250 -0.5759 -1.8447 |
|
108URA C 357 0.143 1.200 0.706 0.1371 0.0496 -0.7295 |
|
108URA O 358 0.117 1.223 0.821 -0.1019 0.4226 -0.1281 |
|
108URA N 359 0.207 1.295 0.634 0.5076 -0.7097 0.7395 |
|
108URA N1 360 0.086 1.099 0.631 0.5550 -0.5016 0.1116 |
|
108URA H 361 0.284 1.346 0.677 -1.3809 0.7189 -0.0886 |
|
108URA H1 362 0.158 1.324 0.552 0.5311 -1.1763 0.7571 |
|
108URA H2 363 0.028 1.031 0.677 0.2081 0.9793 0.9616 |
|
108URA H3 364 0.084 1.113 0.530 -2.0539 0.1298 0.8705 |
|
109URA C 365 0.400 0.530 1.703 -0.7601 0.0808 0.0039 |
|
109URA O 366 0.493 0.450 1.685 -0.3008 0.6721 0.5025 |
|
109URA N 367 0.313 0.522 1.810 0.2619 0.1751 0.0353 |
|
109URA N1 368 0.354 0.598 1.586 -0.2752 -0.1808 -0.5818 |
|
109URA H 369 0.335 0.472 1.894 1.0022 -0.1376 0.3661 |
|
109URA H1 370 0.247 0.597 1.822 2.1123 0.2876 0.2260 |
|
109URA H2 371 0.407 0.588 1.497 -0.0687 0.4934 -2.6377 |
|
109URA H3 372 0.256 0.620 1.584 -0.0084 -1.8835 1.1865 |
|
110AMK N 373 0.871 1.771 1.008 -0.7058 -0.6747 0.7228 |
|
110AMK H 374 0.814 1.689 0.984 0.4947 -0.8355 2.3897 |
|
110AMK H1 375 0.967 1.744 0.997 -1.5764 0.9375 0.5116 |
|
110AMK H2 376 0.867 1.784 1.109 -0.3590 1.8143 -0.1917 |
|
111AMK N 377 1.521 2.053 1.582 0.9651 -0.2531 -0.4902 |
|
111AMK H 378 1.546 1.960 1.617 1.7485 0.7035 1.5361 |
|
111AMK H1 379 1.430 2.044 1.534 0.7492 -2.2777 0.4416 |
|
111AMK H2 380 1.590 2.072 1.510 0.7966 0.7118 -0.2789 |
|
112AMK N 381 0.188 0.945 0.123 -0.0229 -0.3099 0.3016 |
|
112AMK H 382 0.142 1.002 0.051 -0.0392 -1.6946 -0.5917 |
|
112AMK H1 383 0.285 0.934 0.093 0.5077 0.5070 1.4439 |
|
112AMK H2 384 0.144 0.853 0.116 1.9632 -0.3193 -0.1328 |
|
113AMK N 385 0.375 1.602 2.065 -0.5192 0.1196 -0.5704 |
|
113AMK H 386 0.276 1.621 2.051 -0.4635 -0.4530 0.4463 |
|
113AMK H1 387 0.414 1.673 2.122 0.0793 0.2798 -1.1339 |
|
113AMK H2 388 0.414 1.602 1.974 0.3854 1.0140 0.9738 |
|
114AMK N 389 1.259 1.566 0.548 0.2497 0.3214 0.2561 |
|
114AMK H 390 1.188 1.582 0.620 -0.5502 0.9592 -0.7040 |
|
114AMK H1 391 1.342 1.609 0.588 0.1410 -0.6902 -0.1992 |
|
114AMK H2 392 1.237 1.627 0.467 1.5861 1.4104 0.0499 |
|
115AMK N 393 0.220 0.507 0.105 0.5031 -0.4146 -0.0067 |
|
115AMK H 394 0.215 0.470 0.201 0.7487 -0.7668 -0.3543 |
|
115AMK H1 395 0.127 0.547 0.087 1.0104 -0.1100 0.5932 |
|
115AMK H2 396 0.220 0.423 0.048 0.3419 0.0519 -0.1418 |
|
116AMK N 397 1.863 0.798 1.800 -0.0133 -0.0838 0.2483 |
|
116AMK H 398 1.796 0.761 1.735 0.1987 -1.8218 1.2435 |
|
116AMK H1 399 1.940 0.834 1.744 2.2431 -2.4777 -0.4374 |
|
116AMK H2 400 1.894 0.719 1.853 -1.3787 0.2929 3.2817 |
|
117AMK N 401 0.775 0.609 1.542 0.1670 -0.1572 -0.4002 |
|
117AMK H 402 0.734 0.702 1.552 0.9858 0.0287 -0.0150 |
|
117AMK H1 403 0.710 0.547 1.490 -0.6386 -1.3876 1.8404 |
|
117AMK H2 404 0.799 0.579 1.636 2.5973 0.6869 -1.0089 |
|
118AMK N 405 1.904 1.579 1.798 -0.5151 0.3417 -0.0153 |
|
118AMK H 406 1.832 1.547 1.860 -0.3344 0.6650 1.0506 |
|
118AMK H1 407 1.860 1.588 1.708 -1.1813 1.1331 0.2869 |
|
118AMK H2 408 1.973 1.506 1.787 -0.0470 0.0686 -1.6542 |
|
119AMK N 409 0.123 0.416 1.206 0.2878 0.0191 -0.2153 |
|
119AMK H 410 0.073 0.447 1.122 -0.8047 -1.7414 -0.5965 |
|
119AMK H1 411 0.203 0.478 1.217 -0.9217 1.8717 0.1250 |
|
119AMK H2 412 0.158 0.322 1.186 2.2080 0.4650 -0.2827 |
|
120AMK N 413 1.369 2.039 0.702 0.1689 0.3090 0.4524 |
|
120AMK H 414 1.390 1.987 0.788 -1.5769 2.3238 0.8363 |
|
120AMK H1 415 1.369 2.134 0.739 -1.5646 -0.4441 1.9173 |
|
120AMK H2 416 1.273 2.020 0.684 0.4637 0.7976 -0.8525 |
|
121AMK N 417 1.451 1.986 0.345 0.1804 0.2373 0.0259 |
|
121AMK H 418 1.467 1.888 0.326 1.3818 1.0859 -0.7306 |
|
121AMK H1 419 1.429 1.996 0.443 2.5657 0.2450 0.4150 |
|
121AMK H2 420 1.366 2.015 0.296 0.9523 2.8282 0.8893 |
|
122AMK N 421 0.704 0.953 0.142 -0.0885 -0.0370 -0.0252 |
|
122AMK H 422 0.632 0.913 0.203 0.9456 0.5241 -0.5671 |
|
122AMK H1 423 0.692 1.056 0.149 2.1627 -0.4374 1.2234 |
|
122AMK H2 424 0.674 0.924 0.048 0.8023 1.1508 -0.2883 |
|
123AMK N 425 0.506 1.005 0.538 -0.0158 0.3809 0.3153 |
|
123AMK H 426 0.503 1.097 0.584 -1.3019 0.7411 0.9391 |
|
123AMK H1 427 0.593 0.962 0.570 -0.4841 0.0993 0.6740 |
|
123AMK H2 428 0.521 1.026 0.439 0.0624 0.1406 0.2618 |
|
124AMK N 429 1.689 0.488 0.426 -0.1391 -0.7963 -0.3145 |
|
124AMK H 430 1.628 0.523 0.353 -2.1554 -1.2138 0.7969 |
|
124AMK H1 431 1.625 0.456 0.495 0.2735 -0.6480 -0.0097 |
|
124AMK H2 432 1.738 0.569 0.467 -0.0935 -1.9506 1.6191 |
|
2.13534 2.13534 2.13534
|
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