NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 348 M 4.4253 8.1627 120.3507 55.4599 34.1880 177.2239 349 D 4.2953 8.0415 118.2895 54.7485 41.7545 175.9279 350 S 4.2915 8.1104 112.6073 59.4092 65.3339 175.8393 351 R 3.9394 7.9478 121.4005 59.6417 30.0815 178.2179 352 L 3.9801 7.5344 118.2622 57.6679 41.3807 179.2527 353 Q 3.9981 7.6477 119.2920 58.3530 28.9180 177.5435 354 R 4.3821 7.4318 117.3186 57.5239 30.5803 177.9583 355 I 3.8737 7.7579 119.5261 63.8117 37.0487 177.8600 356 H 4.2199 8.1227 119.0406 59.2224 29.7732 176.9100 357 A 3.9273 7.5636 121.1696 55.3806 17.9780 179.4970 358 E 3.8992 8.1675 116.8897 59.5821 29.2960 179.6116 359 I 3.7005 7.2212 118.4918 64.2624 37.4264 178.4501 360 K 4.0085 7.9250 119.2870 59.5273 31.8145 179.0912 361 N 4.5079 8.1246 116.2673 56.1434 38.8608 176.2773 362 S 4.4520 7.8814 111.2002 58.8434 63.6120 175.0288 363 L 4.5795 8.0007 120.1372 54.1697 42.3351 176.7821 364 K 4.0623 7.9170 118.2409 56.8531 32.8561 177.0476 365 I 3.9814 8.3533 122.3639 64.4574 37.3986 177.8022 366 D 4.5992 8.0521 115.7219 53.4865 38.8854 175.9747 367 N 4.4946 7.6837 115.1558 52.7374 40.1652 175.6480 368 L 4.2316 8.2144 118.4829 55.0702 40.4051 176.2391 369 D 4.7274 8.4990 124.9977 52.5960 39.5994 177.3308 370 V 3.9268 7.9075 116.5160 62.7714 31.7847 176.6707 371 N 4.6023 8.0300 115.8580 55.0741 37.4336 176.6209 372 R 4.1679 8.0316 118.5909 57.7743 30.2089 177.6190 373 C 4.3033 7.8476 117.9775 62.6911 31.8594 175.2069 374 I 3.7353 7.4183 120.0621 64.1705 36.2926 177.8652 375 E 4.0104 8.2654 119.4225 58.0246 29.2419 177.6274 376 A 4.2832 7.1110 118.4134 52.7426 20.2821 178.0905 377 L 4.1966 7.9370 116.3054 56.5754 42.0965 178.3776 378 D 4.6370 7.7846 119.5641 56.4423 40.9542 178.2195 379 E 4.2032 7.3916 115.4455 56.2486 28.9279 176.0146 380 L 4.3038 7.7849 118.7551 52.7720 43.5332 175.9993 *384 Q 4.0349 8.4765 127.1689 56.0304 28.9424 174.2390 385 V 4.6543 7.9953 123.6944 61.5535 34.4214 173.7280 386 T 4.6416 8.2896 115.5573 59.9252 70.9929 174.9794 387 M 4.4354 8.4477 119.7024 56.7583 32.4693 177.6453 388 Q 4.1428 7.9850 121.0395 59.0023 29.6462 177.6490 389 Q 4.2309 8.0040 114.6945 57.4207 28.9569 177.1692 390 A 4.2059 7.5734 119.5209 52.8498 18.8791 177.7087 391 Q 4.3027 7.4071 114.8320 56.6220 29.8743 176.9498 392 K 4.0180 7.5272 116.3771 58.9070 32.7368 177.4985 393 H 4.8597 7.6849 116.4891 54.9320 28.3468 175.4383 394 T 3.8007 7.6228 111.4455 64.2829 69.5472 176.8019 395 E 3.9449 8.0655 121.1926 59.4735 29.5755 178.6744 396 M 3.7547 7.4668 117.7024 58.1122 32.1768 178.0525 397 I 3.9361 7.5633 119.8557 63.6854 37.3765 178.1333 398 T 3.9079 7.8455 116.4452 67.1669 67.8825 176.5068 399 T 3.9047 7.8142 116.9639 66.5617 68.2329 176.9235 400 L 4.1550 7.6771 119.8471 57.0673 41.7996 179.2552 401 K 3.7534 8.2507 119.9729 59.2649 32.1123 178.6055 402 K 3.7928 7.8850 118.7084 58.8606 31.9095 177.4135 403 I 4.2835 6.8586 109.5148 60.8265 37.8545 176.6907 404 R 4.3131 8.0242 121.1206 58.6448 30.1854 177.0332 405 R 4.4183 7.7451 115.8301 56.4998 30.5455 177.3352 406 F 4.8570 7.8997 122.0056 56.2854 38.2994 175.5884 407 K 3.7771 8.1872 126.0828 58.7002 32.4323 178.9501 408 V 3.3715 6.3359 117.8779 65.1576 31.0632 175.5811 409 S 4.7296 7.2809 113.6528 56.5675 64.0503 174.5724 410 Q 4.1273 8.5723 126.4571 58.5944 28.4109 178.4326 411 V 3.7247 7.7381 118.6181 65.4513 31.5220 177.8586 412 I 3.9327 7.6579 119.9500 64.2486 36.9040 178.0730 413 M 4.1688 7.8767 119.0378 58.1693 31.7277 178.3210 414 E 3.9929 8.0214 119.6842 59.3550 29.9027 179.0056 415 K 4.1956 7.9244 117.8626 58.5989 31.5930 179.4644 416 S 4.2807 7.9293 115.2148 61.5281 63.2827 176.6057 417 T 4.0848 7.8047 119.4929 66.1293 68.0897 176.5798 418 M 4.0385 8.1612 120.2933 58.8675 32.1544 178.4216 419 L 4.0596 7.5599 117.4402 57.7203 41.9449 178.6640 420 Y 4.2989 7.7928 118.8678 60.7078 38.5639 177.3516 421 N 4.5048 8.2997 116.2901 55.6729 38.6732 176.9980 422 K 3.8997 7.6609 120.5369 58.5046 32.2461 176.5125 423 F 4.4468 7.4429 121.4729 57.4466 39.0059 175.3851 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 348 M 8.16 4.43 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 349 D 8.04 4.30 0.00 2.91 2.66 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 0.00 350 S 8.11 4.29 0.00 4.04 4.10 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 0.00 351 R 7.95 3.94 0.00 1.90 2.09 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 352 L 7.53 3.98 0.00 1.42 1.44 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 353 Q 7.65 4.00 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 354 R 7.43 4.38 0.00 1.99 2.12 0.00 3.14 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 355 I 7.76 3.87 1.87 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 1.41 0.94 0.96 0.00 0.00 356 H 8.12 4.22 0.00 3.29 3.43 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 357 A 7.56 3.93 1.38 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 0.00 358 E 8.17 3.90 0.00 2.04 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 2.32 2.34 0.00 359 I 7.22 3.70 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.71 0.87 0.00 0.00 360 K 7.93 4.01 0.00 1.84 1.76 0.00 1.51 0.00 0.00 1.19 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.31 7.81 361 N 8.12 4.51 0.00 2.70 2.89 0.00 0.00 7.17 7.09 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 0.00 362 S 7.88 4.45 0.00 4.10 4.16 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 0.00 363 L 8.00 4.58 0.00 1.56 1.51 0.60 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 364 K 7.92 4.06 0.00 1.74 1.76 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.41 7.81 365 I 8.35 3.98 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.95 0.93 0.00 0.00 366 D 8.05 4.60 0.00 2.79 2.76 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 0.00 367 N 7.68 4.49 0.00 2.64 2.76 0.00 0.00 7.10 7.07 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 L 8.21 4.23 0.00 1.72 1.71 1.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 369 D 8.50 4.73 0.00 2.73 2.56 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 0.00 370 V 7.91 3.93 2.15 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 1.09 0.00 0.00 0.97 0.00 0.00 371 N 8.03 4.60 0.00 2.98 2.86 0.00 0.00 6.50 7.54 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 R 8.03 4.17 0.00 2.02 1.92 0.00 3.08 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 373 C 7.85 4.30 0.00 3.02 2.91 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 0.00 374 I 7.42 3.74 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.88 0.93 0.00 0.00 375 E 8.27 4.01 0.00 2.09 1.99 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 2.31 2.33 0.00 376 A 7.11 4.28 1.38 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 0.00 377 L 7.94 4.20 0.00 1.82 1.77 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 378 D 7.78 4.64 0.00 2.65 2.71 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 0.00 379 E 7.39 4.20 0.00 1.96 1.94 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 2.33 2.25 0.00 380 L 7.78 4.30 0.00 1.74 1.57 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *384 Q 8.48 4.03 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.47 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 385 V 8.00 4.65 2.16 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 1.03 0.00 0.00 0.99 0.00 0.00 386 T 8.29 4.64 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 0.00 387 M 8.45 4.44 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 388 Q 7.99 4.14 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 389 Q 8.00 4.23 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 390 A 7.57 4.21 1.45 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 0.00 391 Q 7.41 4.30 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 392 K 7.53 4.02 0.00 1.90 1.56 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.48 7.81 393 H 7.68 4.86 0.00 3.06 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 394 T 7.62 3.80 4.18 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 0.00 395 E 8.07 3.94 0.00 1.98 2.02 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 2.38 2.40 0.00 396 M 7.47 3.75 0.00 2.15 1.80 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 397 I 7.56 3.94 1.86 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.42 0.84 0.00 0.00 398 T 7.85 3.91 4.45 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 0.00 399 T 7.81 3.90 4.46 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 1.18 0.00 0.00 400 L 7.68 4.16 0.00 1.96 1.93 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 401 K 8.25 3.75 0.00 1.89 1.88 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 0.86 7.81 402 K 7.88 3.79 0.00 1.76 1.83 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.46 7.81 403 I 6.86 4.28 1.62 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.76 0.82 0.00 0.00 404 R 8.02 4.31 0.00 1.75 1.99 0.00 2.58 0.00 0.00 2.86 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 405 R 7.75 4.42 0.00 1.82 1.96 0.00 3.18 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 406 F 7.90 4.86 0.00 3.09 2.98 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 0.00 407 K 8.19 3.78 0.00 1.66 1.77 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.34 7.81 408 V 6.34 3.37 0.67 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 0.53 0.00 0.00 0.57 0.00 0.00 409 S 7.28 4.73 0.00 3.95 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 410 Q 8.57 4.13 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 411 V 7.74 3.72 2.11 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 1.09 0.00 0.00 0.95 0.00 0.00 412 I 7.66 3.93 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.31 0.99 0.00 0.00 413 M 7.88 4.17 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.87 0.00 414 E 8.02 3.99 0.00 2.14 1.95 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 2.32 2.36 0.00 415 K 7.92 4.20 0.00 1.88 1.87 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.60 7.81 416 S 7.93 4.28 0.00 4.03 4.32 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 0.00 0.00 0.00 0.00 417 T 7.80 4.08 4.28 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 1.25 0.00 0.00 418 M 8.16 4.04 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 419 L 7.56 4.06 0.00 1.82 1.95 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 420 Y 7.79 4.30 0.00 3.28 3.20 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 0.00 421 N 8.30 4.50 0.00 2.91 2.89 0.00 0.00 7.01 6.91 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 0.00 422 K 7.66 3.90 0.00 1.49 1.45 0.00 0.92 0.00 0.00 1.28 0.00 0.00 2.83 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.00 1.22 7.81 423 F 7.44 4.45 0.00 2.83 2.71 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 * Residues marked with a * may have inaccurate shift predictions.