NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 336 M 4.4786 8.2893 118.1983 54.7691 32.8154 175.5219 337 D 4.3390 8.5978 121.6105 52.6728 41.3350 176.2430 338 R 3.8176 8.6716 122.7910 59.5678 30.7942 179.3636 339 R 3.8831 8.0252 118.0876 59.7607 30.1892 178.3081 340 Q 4.0017 7.9713 116.3115 58.7784 28.8156 178.9780 341 K 3.9853 8.0982 120.7196 59.5738 32.2822 178.8523 342 R 4.0511 8.3453 119.3007 59.5585 30.0684 178.5351 343 L 4.1778 8.1198 120.2339 57.2024 41.5693 179.5717 344 I 3.8114 8.0757 120.1361 64.0714 36.9872 178.4705 345 F 4.0436 8.2204 118.6538 60.5273 38.7870 177.8720 346 S 4.2740 8.2778 115.2744 61.3250 62.8187 176.2605 347 T 3.9511 7.9108 119.2986 66.6181 68.1224 176.3824 348 I 3.7434 7.8189 121.3980 64.6654 36.9727 178.2234 349 T 4.3166 8.2622 109.0680 63.2081 68.5959 176.6130 350 S 4.2297 7.7952 117.4897 61.2354 63.1688 174.9566 351 K 4.3299 7.5936 119.5371 56.7321 31.7767 175.6397 352 M 4.7595 7.6490 118.5150 53.6086 35.6523 175.4110 353 N 4.8537 8.6364 118.1599 52.0157 39.9376 173.0800 354 L 5.1989 8.1840 124.2735 52.5820 44.2438 176.3843 355 S 4.3987 8.4367 115.2116 57.7796 64.0300 175.3418 356 E 3.9777 8.8175 122.0145 59.5654 29.3642 178.5887 357 E 4.0162 8.1922 115.2235 58.8506 29.6942 177.7606 358 V 3.5494 7.1864 118.9581 63.1228 32.1666 174.9923 359 D 4.4764 8.2524 124.5812 51.5256 42.7309 175.6722 360 L 3.8260 8.2981 127.9687 57.2948 41.5237 178.8110 361 E 3.7660 8.3841 119.5137 59.1584 29.1424 178.4528 362 D 3.9942 7.3306 118.2248 57.0692 41.0238 177.6420 363 Y 3.9132 6.6728 116.0959 59.8494 38.1296 177.9225 364 V 3.5884 7.6421 119.0725 65.6954 31.6956 176.6105 365 A 4.2219 7.7464 120.2480 52.8383 18.6351 177.8553 366 R 4.0988 7.3516 115.4776 55.3847 30.6578 175.4285 367 P 4.3931 0.0000 0.0000 65.3483 31.8221 176.9092 368 D 4.3696 8.2628 117.6249 55.2230 41.4610 178.0063 369 K 4.3354 8.4090 126.3162 55.1103 30.6958 175.4908 370 I 4.1683 7.3379 114.6733 60.2590 39.4985 175.6760 371 S 4.9095 9.0946 115.7897 56.0271 66.6575 175.0163 372 G 3.5011 8.4769 107.0748 47.6860 0.0000 175.5715 373 A 3.9443 7.8764 122.4747 55.1367 18.4417 179.1420 374 D 4.2471 7.7961 116.9102 57.6800 40.9090 179.2055 375 I 3.4231 7.8142 120.2987 64.2781 36.9198 178.0425 376 N 4.2196 8.2941 118.0918 56.5998 38.7811 176.9717 377 S 4.0710 8.2411 116.8293 61.8247 62.8754 176.4309 378 I 3.6407 8.0288 122.5622 64.7542 36.9292 177.8536 379 C 4.0409 8.3066 117.0978 63.3984 28.1265 176.6286 380 Q 3.9573 8.3051 119.3941 58.9487 28.2114 178.4612 381 E 3.8983 8.6508 120.6866 59.3071 29.7330 179.0813 382 S 3.9450 8.2604 115.7301 61.1831 62.7349 176.6798 383 G 3.6115 7.7948 108.3794 48.2282 0.0000 175.4261 384 M 4.0333 8.0043 121.6472 57.8815 32.0029 178.7489 385 L 3.8985 8.0089 118.9401 57.8845 41.8715 179.2825 386 A 3.9841 8.0047 120.5360 55.2328 17.7518 179.7196 387 V 3.5273 7.6624 116.4450 66.4119 31.4704 178.3919 388 R 4.1014 7.9426 115.9241 58.2669 29.8873 177.1693 389 E 4.5391 7.2619 115.8092 55.0749 30.0848 175.5365 390 N 4.2088 9.0242 115.4894 54.6439 36.7978 174.3912 391 R 4.6921 7.9885 116.4264 54.7124 32.4570 174.6666 392 Y 4.4605 8.9697 122.2525 57.8126 38.9515 174.9887 393 I 4.2344 7.1148 121.7567 59.7111 39.1532 175.2034 394 V 4.0714 8.5958 127.4348 62.3070 32.7546 175.4737 395 L 4.9597 9.2172 127.9119 53.1707 44.2008 177.5933 396 A 4.2326 8.7563 121.7210 55.4425 18.2466 179.8810 397 K 3.9713 8.1858 116.8248 60.4027 32.4758 178.8378 398 D 4.2940 7.8563 119.8065 57.1886 40.6631 178.8506 399 F 4.1944 7.9569 119.0406 59.9236 38.9375 177.1055 400 E 4.1737 8.3704 118.2508 59.4478 29.2730 179.1071 401 K 3.8687 8.3018 118.9452 59.6377 32.2947 178.4035 402 A 3.9450 7.9907 120.7581 55.5173 18.2900 178.7800 403 Y 3.9245 8.6737 118.1317 61.0332 38.6145 178.6952 404 K 4.1072 8.1513 117.9710 59.6939 32.1880 179.2830 405 T 4.0072 7.9783 115.6576 66.5041 68.4669 176.8189 406 V 3.8957 8.0255 119.0379 65.1808 32.1604 176.7456 407 I 3.5685 7.1200 123.1100 61.9922 35.5763 176.4026 408 K 4.1987 8.3716 123.5495 56.6764 31.6101 176.4303 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 8.29 4.48 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 337 D 8.60 4.34 0.00 3.02 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 3.82 0.00 1.92 1.98 0.00 3.18 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 339 R 8.03 3.88 0.00 1.93 1.92 0.00 3.25 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 340 Q 7.97 4.00 0.00 2.44 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 341 K 8.10 3.99 0.00 1.92 2.08 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.25 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.74 1.66 7.81 342 R 8.35 4.05 0.00 2.04 2.13 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 343 L 8.12 4.18 0.00 1.91 1.73 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 344 I 8.08 3.81 1.95 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 1.06 0.77 0.00 0.00 345 F 8.22 4.04 0.00 3.49 3.06 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 0.00 0.00 0.00 0.00 346 S 8.28 4.27 0.00 4.10 4.17 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 0.00 0.00 0.00 0.00 347 T 7.91 3.95 4.41 0.00 0.00 0.00 0.00 0.00 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 7.82 3.74 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.92 0.93 0.00 0.00 349 T 8.26 4.32 4.39 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 1.52 0.00 0.00 350 S 7.80 4.23 0.00 4.11 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 0.00 351 K 7.59 4.33 0.00 1.74 1.90 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.56 7.81 352 M 7.65 4.76 0.00 1.95 2.18 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 2.56 2.47 0.00 353 N 8.64 4.85 0.00 2.85 2.80 0.00 0.00 6.80 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 8.18 5.20 0.00 1.60 1.65 1.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 355 S 8.44 4.40 0.00 4.30 3.95 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 0.00 0.00 0.00 356 E 8.82 3.98 0.00 1.97 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 0.00 2.31 2.25 0.00 357 E 8.19 4.02 0.00 2.06 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 2.29 2.26 0.00 358 V 7.19 3.55 2.17 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 0.63 0.00 0.00 1.05 0.00 0.00 359 D 8.25 4.48 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 8.30 3.83 0.00 1.53 1.28 0.93 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 361 E 8.38 3.77 0.00 2.06 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 0.00 2.22 2.29 0.00 362 D 7.33 3.99 0.00 1.82 1.77 0.00 0.00 0.00 0.00 0.00 0.00 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 6.67 3.91 0.00 2.62 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 364 V 7.64 3.59 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 0.83 0.00 0.00 0.92 0.00 0.00 365 A 7.75 4.22 1.25 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 0.00 0.00 366 R 7.35 4.10 0.00 2.03 2.16 0.00 3.18 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.94 0.00 367 P 0.00 4.39 0.00 2.21 2.20 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 368 D 8.26 4.37 0.00 2.90 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 0.00 369 K 8.41 4.34 0.00 1.75 1.80 0.00 1.66 0.00 0.00 2.01 0.00 0.00 3.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.51 7.81 370 I 7.34 4.17 1.98 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 1.53 0.90 0.88 0.00 0.00 371 S 9.09 4.91 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 3.94 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 7.80 4.25 0.00 2.89 2.67 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 0.00 0.00 0.00 0.00 375 I 7.81 3.42 1.70 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 1.15 0.78 -0.41 0.00 0.00 376 N 8.29 4.22 0.00 2.67 2.89 0.00 0.00 7.25 8.38 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 0.00 377 S 8.24 4.07 0.00 4.05 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 378 I 8.03 3.64 2.19 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.02 1.16 0.00 0.00 379 C 8.31 4.04 0.00 3.14 3.10 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 0.00 380 Q 8.31 3.96 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 381 E 8.65 3.90 0.00 2.03 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 2.26 2.33 0.00 382 S 8.26 3.95 0.00 3.42 3.03 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 0.00 383 G 7.79 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.03 0.00 2.02 2.24 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 2.59 2.84 0.00 385 L 8.01 3.90 0.00 1.78 1.81 0.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 386 A 8.00 3.98 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 0.00 387 V 7.66 3.53 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 388 R 7.94 4.10 0.00 1.91 1.99 0.00 3.16 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 389 E 7.26 4.54 0.00 2.19 1.93 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 2.24 2.23 0.00 390 N 9.02 4.21 0.00 2.83 2.86 0.00 0.00 6.58 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 0.00 391 R 7.99 4.69 0.00 1.89 1.98 0.00 3.24 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.53 0.00 392 Y 8.97 4.46 0.00 3.15 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 0.00 393 I 7.11 4.23 1.63 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.49 0.81 0.00 0.00 394 V 8.60 4.07 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 0.74 0.00 0.00 0.88 0.00 0.00 395 L 9.22 4.96 0.00 1.61 1.60 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 396 A 8.76 4.23 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 8.19 3.97 0.00 2.02 2.13 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.55 7.81 398 D 7.86 4.29 0.00 2.63 2.67 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 0.00 0.00 0.00 0.00 399 F 7.96 4.19 0.00 3.12 2.03 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 0.00 400 E 8.37 4.17 0.00 2.27 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 0.00 2.63 2.60 0.00 401 K 8.30 3.87 0.00 1.91 1.81 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.62 7.81 402 A 7.99 3.94 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 0.00 403 Y 8.67 3.92 0.00 3.18 3.21 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 0.00 404 K 8.15 4.11 0.00 2.01 1.92 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.61 1.80 7.81 405 T 7.98 4.01 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 406 V 8.03 3.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.91 0.00 0.00 407 I 7.12 3.57 1.71 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.01 0.85 0.00 0.00 408 K 8.37 4.20 0.00 1.91 1.84 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.40 7.81