NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 336 M 4.4204 8.3044 118.2014 54.5242 32.7924 174.5863 337 D 4.1660 8.5750 116.6117 54.4607 42.2088 175.7387 338 R 3.9115 8.8682 126.8147 59.5816 30.6377 178.1629 339 R 3.9166 8.0118 118.0979 59.2658 30.0844 178.1510 340 Q 3.8997 8.0942 119.5050 59.0732 29.0733 177.6847 341 K 3.8854 8.2014 120.8858 59.9951 32.0542 178.4898 342 R 4.0436 8.2393 118.5696 59.3013 29.9238 178.1186 343 L 3.9892 7.9688 120.2921 58.1129 42.0531 179.1609 344 I 3.6806 8.2089 120.0636 64.4138 37.1495 178.0763 345 F 4.1540 8.5307 119.2568 60.9836 38.6241 178.1412 346 S 4.2512 8.3875 112.4592 61.5535 63.0237 176.3542 347 T 4.0197 8.2255 119.6260 66.3655 68.2920 176.5414 348 I 3.7179 7.8440 120.6861 64.2915 38.1419 177.7787 349 T 4.1972 8.1318 109.6460 63.4464 68.2455 175.9514 350 S 4.1844 7.6764 117.4158 60.4664 62.8223 174.7075 351 K 4.5342 7.7447 121.9711 56.1387 32.3138 175.1153 352 M 4.5598 7.9538 116.2175 53.1486 34.1076 174.9450 353 N 4.8973 8.4697 119.5515 52.1824 40.7869 173.3604 354 L 5.4773 8.3707 125.8499 52.5342 45.3224 176.6500 355 S 4.2681 8.9338 116.9600 58.2339 63.6799 175.0828 356 E 4.0446 9.1102 122.3668 59.4676 29.3413 178.1655 357 E 4.2269 7.9819 114.1809 57.0320 30.5434 176.8899 358 V 3.5629 7.3152 119.4095 63.3296 31.9959 175.0026 359 D 4.4878 8.2323 124.0587 51.5794 42.8040 175.8604 360 L 3.8955 8.2607 127.7357 56.9606 41.5002 178.7980 361 E 3.7568 8.1887 119.7947 59.0854 29.2222 178.3450 362 D 4.1098 7.2391 118.4625 56.8440 40.8587 177.7809 363 Y 3.8575 6.7599 116.3460 60.1315 38.1826 177.6085 364 V 3.5146 7.4577 118.3305 66.0051 31.5369 176.6196 365 A 4.2598 8.0654 119.9237 52.7558 18.6844 177.7707 366 R 4.0638 7.8321 116.5116 55.4384 31.1421 175.8132 367 P 4.6593 0.0000 0.0000 62.3258 30.4154 175.8131 368 D 4.9696 7.7349 117.4730 52.7943 43.8815 176.3593 369 K 4.4306 8.6690 123.7927 55.6831 33.5128 176.0896 370 I 4.7163 8.0119 116.5408 58.0989 40.9333 175.4746 371 S 4.6745 9.3608 118.3371 57.3362 65.9147 175.4170 372 G 3.6206 8.4218 106.9480 46.9548 0.0000 175.8574 373 A 3.9206 7.8021 123.0068 55.4343 18.6248 178.8868 374 D 4.2643 7.9238 117.4312 57.8131 40.7790 179.6561 375 I 3.3968 7.3899 119.3674 64.3159 37.1827 177.8761 376 N 4.1547 8.0714 117.7754 56.7875 38.6143 176.9486 377 S 4.0846 8.2039 116.8927 61.6451 62.9126 176.7682 378 I 3.7354 7.6326 122.4603 64.4096 36.8841 178.3017 379 C 4.2540 8.3378 117.8653 63.0114 28.0178 176.2582 380 Q 3.9670 8.6232 119.9421 58.7117 28.2904 178.3186 381 E 3.8373 8.1923 120.2982 59.3936 29.4800 178.6332 382 S 3.8793 7.9970 114.1986 61.8770 63.1410 176.8689 383 G 3.7189 7.7739 107.3730 48.0374 0.0000 175.2814 384 M 4.0643 8.0218 120.3691 58.2172 32.1927 177.4746 385 L 4.2932 8.4122 117.0108 55.2129 41.8372 178.4965 386 A 3.9110 7.8569 122.5018 54.4527 17.9349 179.0630 387 V 4.2386 7.5188 116.6960 62.9085 31.6582 177.5235 388 R 3.8673 7.5361 117.3348 58.7547 30.1926 176.5694 389 E 4.3903 8.0756 114.8730 55.2891 31.0446 175.4881 390 N 4.2909 7.7427 116.4146 54.1298 37.9905 173.3693 391 R 4.2808 7.7556 114.1625 55.5707 29.8107 176.5857 392 Y 4.4247 9.3829 119.6845 57.6483 38.1835 174.9787 393 I 4.1208 6.4017 119.0819 59.0641 41.1574 174.5662 394 V 4.2754 8.9208 128.6388 62.0820 32.9575 175.1560 395 L 5.1254 10.5815 127.0349 51.8284 44.6581 177.3264 396 A 4.2017 8.7606 121.3142 55.3877 18.0202 179.8643 397 K 4.1007 8.0789 116.8471 59.8150 32.9953 178.7697 398 D 4.3008 7.8320 120.3831 57.5562 40.6804 179.0469 399 F 3.6558 7.9577 117.4361 60.3205 38.8440 177.3068 400 E 4.2395 7.9990 117.5901 59.2802 29.6982 178.2368 401 K 4.1231 8.2010 119.0684 58.1977 32.0135 178.8056 402 A 3.8649 8.2358 120.6191 55.7487 18.5534 178.8027 403 Y 3.7610 8.3821 117.8681 60.9399 38.6150 178.4986 404 K 4.2159 8.1305 118.6952 59.1093 32.3823 178.2574 405 T 4.0726 7.8040 109.7269 63.9285 69.1942 176.1103 406 V 3.8332 7.8987 122.8364 64.1860 32.3484 176.9999 407 I 3.9237 7.1862 121.5805 60.3896 35.8001 176.0337 408 K 4.1962 8.3139 123.1347 56.3548 31.2625 176.6994 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 336 M 8.30 4.42 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.71 0.00 337 D 8.57 4.17 0.00 2.90 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.87 3.91 0.00 1.94 1.93 0.00 3.24 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 339 R 8.01 3.92 0.00 1.93 2.10 0.00 3.24 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 340 Q 8.09 3.90 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.47 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 341 K 8.20 3.89 0.00 2.12 2.13 0.00 1.98 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.82 1.67 7.81 342 R 8.24 4.04 0.00 2.05 2.09 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 343 L 7.97 3.99 0.00 1.97 1.92 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 344 I 8.21 3.68 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.82 0.78 0.00 0.00 345 F 8.53 4.15 0.00 3.38 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 346 S 8.39 4.25 0.00 4.03 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.23 4.02 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 0.00 348 I 7.84 3.72 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 1.04 0.00 0.00 349 T 8.13 4.20 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 350 S 7.68 4.18 0.00 4.01 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 0.00 351 K 7.74 4.53 0.00 1.73 1.79 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.42 7.81 352 M 7.95 4.56 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.48 0.00 353 N 8.47 4.90 0.00 2.80 2.60 0.00 0.00 6.76 6.66 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 0.00 354 L 8.37 5.48 0.00 1.54 1.57 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 355 S 8.93 4.27 0.00 4.07 3.99 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 0.00 356 E 9.11 4.04 0.00 1.96 2.09 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 0.00 2.33 2.39 0.00 357 E 7.98 4.23 0.00 2.06 2.07 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 0.00 2.25 2.24 0.00 358 V 7.32 3.56 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 1.04 0.00 0.00 359 D 8.23 4.49 0.00 2.64 2.34 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 0.00 360 L 8.26 3.90 0.00 1.52 1.21 0.90 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 361 E 8.19 3.76 0.00 2.07 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 362 D 7.24 4.11 0.00 1.89 1.88 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 0.00 363 Y 6.76 3.86 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.46 3.51 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.85 0.00 0.00 365 A 8.07 4.26 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 366 R 7.83 4.06 0.00 2.01 2.08 0.00 2.69 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 367 P 0.00 4.66 0.00 2.20 2.11 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 368 D 7.73 4.97 0.00 2.83 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 369 K 8.67 4.43 0.00 1.88 1.85 0.00 1.56 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.38 7.81 370 I 8.01 4.72 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.78 0.99 0.00 0.00 371 S 9.36 4.67 0.00 3.99 4.04 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 0.00 0.00 0.00 372 G 8.42 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 373 A 7.80 3.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.92 4.26 0.00 2.90 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 375 I 7.39 3.40 1.57 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.65 -0.18 0.00 0.00 376 N 8.07 4.15 0.00 2.70 2.77 0.00 0.00 7.29 7.21 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 0.00 377 S 8.20 4.08 0.00 3.98 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 378 I 7.63 3.74 1.99 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 1.47 0.71 1.10 0.00 0.00 379 C 8.34 4.25 0.00 3.19 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 380 Q 8.62 3.97 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 381 E 8.19 3.84 0.00 2.10 2.08 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 2.24 2.31 0.00 382 S 8.00 3.88 0.00 3.45 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 0.00 383 G 7.77 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 384 M 8.02 4.06 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.70 0.00 385 L 8.41 4.29 0.00 1.78 1.62 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 386 A 7.86 3.91 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 387 V 7.52 4.24 2.08 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 1.26 0.00 0.00 0.98 0.00 0.00 388 R 7.54 3.87 0.00 1.90 1.93 0.00 3.33 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 389 E 8.08 4.39 0.00 1.99 1.98 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 2.23 2.26 0.00 390 N 7.74 4.29 0.00 3.02 2.87 0.00 0.00 6.78 7.53 0.00 0.00 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 R 7.76 4.28 0.00 2.18 2.18 0.00 2.86 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 392 Y 9.38 4.42 0.00 3.16 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 393 I 6.40 4.12 0.89 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 0.97 0.95 0.62 0.00 0.00 394 V 8.92 4.28 2.21 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 0.96 0.00 0.00 0.91 0.00 0.00 395 L 10.58 5.13 0.00 1.72 1.59 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 396 A 8.76 4.20 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 397 K 8.08 4.10 0.00 2.03 2.12 0.00 1.55 0.00 0.00 2.03 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.54 7.81 398 D 7.83 4.30 0.00 2.58 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 399 F 7.96 3.66 0.00 3.31 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 0.00 400 E 8.00 4.24 0.00 2.13 2.10 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 2.43 2.55 0.00 401 K 8.20 4.12 0.00 2.05 1.73 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.59 7.81 402 A 8.24 3.86 1.26 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 0.00 0.00 0.00 403 Y 8.38 3.76 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 404 K 8.13 4.22 0.00 2.15 1.89 0.00 1.91 0.00 0.00 1.86 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.56 7.81 405 T 7.80 4.07 4.22 0.00 0.00 0.00 0.00 0.00 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 0.00 406 V 7.90 3.83 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.89 0.00 0.00 407 I 7.19 3.92 1.49 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.43 0.86 0.00 0.00 408 K 8.31 4.20 0.00 1.85 2.04 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.38 7.81