NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 321 M 4.4172 8.2893 120.3193 54.9350 33.5643 175.2897 322 T 3.9188 7.9883 110.9456 61.2287 70.6200 173.4905 323 D 4.4573 8.8620 121.9305 57.6396 41.2538 180.6509 324 G 3.6304 8.0396 105.4516 47.9538 0.0000 175.6154 325 L 4.0766 7.8338 121.2781 57.2408 41.6229 179.2122 326 N 4.3137 8.3407 116.6573 56.4271 38.5449 176.9872 327 Q 3.9773 8.3372 121.0644 59.2409 29.1315 178.3092 328 L 3.9196 7.9367 121.1999 58.2304 42.0630 178.1933 329 Y 3.9526 8.1073 119.4651 60.8291 38.7300 177.8354 330 N 4.3599 8.4404 117.3228 56.3685 38.5771 177.4061 331 L 3.9980 7.9385 120.3623 57.7027 41.7180 179.7567 332 V 3.5864 7.8624 117.9478 65.8958 31.4384 177.8471 333 A 3.8108 7.8934 120.7694 55.3375 18.1367 179.6517 334 Q 3.9527 8.5084 116.9251 59.0285 28.7624 178.4571 335 D 4.3301 8.5266 119.4964 57.6937 41.1916 178.0494 336 Y 3.8708 8.4090 117.0093 60.8689 37.8094 178.1821 337 A 4.0427 8.3436 121.8976 55.1167 18.4304 179.7046 338 L 3.9482 8.1784 117.6210 58.2197 41.6352 179.8779 339 T 3.8186 7.9961 115.6895 66.5813 68.3066 176.1030 340 D 4.3316 8.4121 120.2781 57.7759 41.2490 178.6181 341 T 3.9124 8.1329 116.1753 66.6710 68.4236 176.9113 342 I 3.7620 7.9606 121.8608 64.4622 37.0149 178.4138 343 E 3.9739 8.5267 119.3274 59.1771 29.2805 179.0660 344 A 4.0116 8.2206 120.9665 55.3893 18.4174 179.7285 345 L 4.0828 8.1236 117.3672 57.9686 41.7070 179.7165 346 S 3.9295 8.6029 113.3397 61.4396 62.3813 176.4749 347 R 3.8804 8.3012 121.0067 59.4702 29.7176 178.9215 348 M 4.0629 8.0828 118.5348 58.1776 32.0644 178.5314 349 L 3.8639 8.0871 120.4740 58.6667 42.0695 178.8056 350 H 4.0545 8.0191 114.5320 58.7826 28.6448 177.4122 351 R 4.1321 7.8547 119.6475 57.1961 29.9807 177.3455 352 G 3.9748 7.6808 105.4992 45.5813 0.0000 174.4679 353 T 4.1033 7.9646 117.6979 65.1516 68.7128 174.8720 354 I 4.7137 7.2855 112.7802 57.4419 40.8661 173.9264 355 P 4.5018 0.0000 0.0000 62.0765 33.3172 177.4908 356 L 4.0435 8.4589 121.5028 58.4817 42.1710 179.0280 357 D 4.4346 8.1420 118.6031 56.7708 39.2465 178.6992 358 T 3.9343 7.8544 116.6583 66.2402 68.6350 176.3879 359 F 4.0642 8.1879 122.5075 61.2369 39.3423 177.2958 360 V 3.4604 8.0026 117.7181 65.8085 31.1169 177.7297 361 K 3.8319 7.7788 118.7225 59.8151 32.0903 178.8109 362 Q 4.0235 8.1582 118.2933 58.6762 28.6076 178.7363 363 G 3.1283 8.0427 107.0500 47.8133 0.0000 175.8494 364 R 3.8432 7.9255 120.9153 58.7257 30.0279 178.8253 365 E 3.8758 7.7940 118.8355 59.2908 29.6991 178.9099 366 L 3.9567 7.8284 118.7855 57.7686 41.6323 179.3804 367 A 4.0252 8.1697 120.8632 54.9054 17.7802 179.5524 368 R 3.8170 8.1263 117.2966 59.9285 30.2081 178.7683 369 Q 4.0613 8.0776 117.7069 59.0585 28.6603 178.7999 370 Q 3.9908 8.2301 120.6566 58.8773 29.0179 177.6991 371 F 4.1016 8.4894 121.9441 61.6117 39.3664 177.2655 372 L 4.1109 7.8858 117.7482 57.5981 41.3349 179.4994 373 V 3.6496 8.0033 118.3329 66.3091 31.3752 178.4205 374 R 3.8872 8.1642 117.7013 58.7134 29.8744 178.7191 375 W 3.7988 8.3616 128.7242 60.6547 30.6501 177.5150 376 H 4.2981 8.5937 118.1657 59.3433 29.2746 177.1607 377 I 3.6380 7.9691 121.7714 64.5293 37.0731 178.1133 378 Q 3.8231 8.1725 120.4210 59.2676 28.5764 178.5799 379 R 3.8295 7.6626 117.9777 59.2060 30.1298 178.9055 380 I 3.9108 7.6044 119.0039 64.2392 37.6813 177.8295 381 T 4.2873 8.0154 108.7903 62.0292 68.8847 176.3879 382 S 4.2274 7.6858 117.4850 60.5913 63.6961 173.2143 383 P 4.3408 0.0000 0.0000 64.3476 28.8024 176.3362 384 L 3.4870 8.7612 126.9886 56.3611 39.4725 175.3352 385 S 4.1049 7.7465 121.7854 59.2382 63.5368 172.7833 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 321 M 8.29 4.42 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 322 T 7.99 3.92 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 323 D 8.86 4.46 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 324 G 8.04 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 325 L 7.83 4.08 0.00 1.73 1.73 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 326 N 8.34 4.31 0.00 2.99 2.89 0.00 0.00 6.62 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 327 Q 8.34 3.98 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 328 L 7.94 3.92 0.00 1.82 1.82 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 329 Y 8.11 3.95 0.00 3.20 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 330 N 8.44 4.36 0.00 2.98 2.89 0.00 0.00 7.08 6.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 331 L 7.94 4.00 0.00 1.83 1.69 0.68 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 332 V 7.86 3.59 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.93 0.00 0.00 333 A 7.89 3.81 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 334 Q 8.51 3.95 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 335 D 8.53 4.33 0.00 2.82 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 336 Y 8.41 3.87 0.00 3.14 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 337 A 8.34 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 338 L 8.18 3.95 0.00 1.86 1.73 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 339 T 8.00 3.82 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 340 D 8.41 4.33 0.00 2.82 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 341 T 8.13 3.91 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 342 I 7.96 3.76 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.71 0.98 0.00 0.00 343 E 8.53 3.97 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 344 A 8.22 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 345 L 8.12 4.08 0.00 2.08 2.08 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 346 S 8.60 3.93 0.00 4.10 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 347 R 8.30 3.88 0.00 2.04 1.95 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 348 M 8.08 4.06 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 349 L 8.09 3.86 0.00 1.47 1.48 0.82 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 350 H 8.02 4.05 0.00 3.24 3.32 0.00 5.72 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 351 R 7.85 4.13 0.00 1.97 2.10 0.00 3.30 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 352 G 7.68 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 353 T 7.96 4.10 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 354 I 7.29 4.71 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.95 0.00 0.00 355 P 0.00 4.50 0.00 2.40 2.02 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 356 L 8.46 4.04 0.00 1.76 1.69 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 357 D 8.14 4.43 0.00 2.92 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 358 T 7.85 3.93 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 359 F 8.19 4.06 0.00 3.21 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 360 V 8.00 3.46 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.14 0.00 0.00 361 K 7.78 3.83 0.00 1.88 1.76 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.46 7.81 362 Q 8.16 4.02 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 363 G 8.04 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 364 R 7.93 3.84 0.00 1.88 1.93 0.00 3.10 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 365 E 7.79 3.88 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 366 L 7.83 3.96 0.00 1.69 1.68 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 367 A 8.17 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 368 R 8.13 3.82 0.00 1.99 2.12 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 369 Q 8.08 4.06 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 370 Q 8.23 3.99 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 371 F 8.49 4.10 0.00 3.13 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 372 L 7.89 4.11 0.00 1.95 1.76 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 373 V 8.00 3.65 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.98 0.00 0.00 374 R 8.16 3.89 0.00 2.01 1.86 0.00 3.31 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 375 W 8.36 3.80 0.00 3.19 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 376 H 8.59 4.30 0.00 3.50 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 377 I 7.97 3.64 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.58 0.89 0.00 0.00 378 Q 8.17 3.82 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 379 R 7.66 3.83 0.00 2.06 1.99 0.00 3.35 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.00 380 I 7.60 3.91 1.99 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.61 0.91 0.00 0.00 381 T 8.02 4.29 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 382 S 7.69 4.23 0.00 4.01 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 383 P 0.00 4.34 0.00 2.05 2.06 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 384 L 8.76 3.49 0.00 1.70 1.90 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 385 S 7.75 4.10 0.00 4.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00