NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 336 M 4.4430 8.3044 118.1990 54.5584 32.8401 174.9381 337 D 4.2825 8.2476 117.6513 53.2523 42.9831 174.9911 338 R 3.9280 9.3820 127.1106 59.7440 30.6200 178.6860 339 R 3.9560 8.0751 117.4735 59.2167 29.9876 178.7983 340 Q 3.9847 8.2766 118.9563 58.9165 29.2449 177.9223 341 K 3.9224 8.0859 120.7098 59.6013 32.2171 178.6487 342 R 4.0313 8.0362 118.7932 59.3340 29.9810 177.9222 343 L 3.9657 8.3369 120.5333 58.5003 41.9698 179.0181 344 I 3.6581 7.9516 119.5169 64.3469 36.9778 178.4264 345 F 4.1372 8.1150 118.3403 60.7659 38.9807 178.0137 346 S 4.2411 8.7150 114.2046 61.5058 62.5710 176.6649 347 T 3.8683 8.3532 119.1123 66.6586 68.1178 176.4120 348 I 3.8993 8.0619 122.2110 64.5879 37.2186 178.4426 349 T 4.2132 8.3357 109.9974 63.7239 68.6090 176.6452 350 S 4.4314 7.8698 116.7159 60.8154 62.7411 174.9911 351 K 4.5249 7.4228 119.4276 56.1521 31.9567 175.6639 352 M 4.8058 8.3209 118.1764 53.6369 35.3965 175.5521 353 N 4.7707 8.4320 118.0475 52.2259 39.1774 173.5609 354 L 5.1371 8.1574 123.5260 52.6778 43.5879 176.9692 355 S 4.2402 8.8891 118.2853 58.3761 63.6150 175.4229 356 E 4.0241 8.9017 121.2691 59.3509 29.4449 178.4718 357 E 4.0770 8.0559 115.5414 58.2122 30.1870 177.5119 358 V 3.5399 7.2509 119.5142 63.1295 32.1224 174.8699 359 D 4.5566 8.2844 124.6003 51.5733 42.7455 175.8538 360 L 3.9470 8.2560 127.8221 57.1594 41.4707 178.7811 361 E 3.7885 8.1755 119.4095 58.9645 29.1782 178.3632 362 D 3.9220 7.5029 118.3541 56.8303 41.0536 177.3621 363 Y 4.0634 6.6910 115.8002 59.1745 38.4976 177.9333 364 V 3.5876 7.5074 118.9748 65.9762 31.6164 176.8195 365 A 4.1878 7.9335 119.5053 53.1517 18.2599 177.6636 366 R 4.3057 7.4932 115.4459 54.7170 30.8998 175.3806 367 P 4.4170 0.0000 0.0000 65.2371 31.7950 176.8969 368 D 4.3923 8.1609 119.2250 54.5543 41.0089 176.6408 369 K 4.2705 8.5784 124.2329 55.4220 30.8958 176.2183 370 I 4.4543 7.9349 117.2436 59.1687 40.0794 175.5952 371 S 4.9043 8.9955 115.9783 56.0559 66.6177 175.0520 372 G 3.6566 8.6296 108.3502 48.1301 0.0000 175.6743 373 A 3.9493 7.8596 122.1785 55.0319 18.4860 179.2534 374 D 4.2238 7.6321 117.0848 57.6280 40.9220 178.9947 375 I 3.4092 7.8421 120.5156 64.3586 36.9925 178.0148 376 N 4.2361 8.2407 118.0567 56.6619 38.7793 177.2249 377 S 4.0556 8.3176 116.9889 61.5190 62.9206 176.4309 378 I 3.6525 8.2261 122.8064 64.7948 36.9486 178.2144 379 C 4.1108 8.0159 117.1803 62.8017 27.9708 175.9672 380 Q 3.8993 7.9976 121.0797 59.1974 28.6078 177.9169 381 E 3.8628 8.6213 120.5791 59.3279 29.3347 178.7995 382 S 3.9164 8.0531 115.3328 61.4954 62.7228 176.9717 383 G 3.6125 7.9354 108.1297 47.9497 0.0000 175.3789 384 M 4.0040 7.9500 121.2707 58.3645 30.5270 178.8420 385 L 4.0544 8.5431 118.9588 57.7679 41.6427 179.6771 386 A 4.0853 8.0033 120.7608 55.0901 18.3174 179.8908 387 V 3.5480 7.9840 116.9743 66.0930 31.4727 178.0294 388 R 4.2067 8.3857 115.5320 57.5208 29.8118 176.6135 389 E 4.5244 7.0049 116.7601 54.8877 30.2019 174.6146 390 N 4.1713 8.5609 113.7341 54.4695 37.9685 173.4672 391 R 4.6525 8.1022 116.1459 54.2498 31.6515 175.1485 392 Y 4.4324 8.8280 122.4207 57.6134 38.9047 174.7046 393 I 4.2693 7.0327 121.0157 59.0090 40.3664 174.7019 394 V 4.1135 9.1133 130.3061 62.4828 32.9486 175.0749 395 L 5.0571 9.9799 127.9401 52.8396 44.5313 177.4467 396 A 4.2493 8.7622 122.0062 55.3972 18.2069 180.1039 397 K 4.0321 8.1184 116.9185 60.1396 32.5888 179.0654 398 D 4.2456 8.0007 119.9647 57.3747 40.7128 178.8288 399 F 3.9681 8.0249 118.9268 59.6961 38.7885 177.5697 400 E 4.1703 8.3980 118.4820 59.3564 29.3142 179.4117 401 K 3.9385 8.1510 118.1919 59.4425 32.1890 178.9185 402 A 3.9428 8.0346 121.0372 55.5813 18.2131 178.9185 403 Y 3.9159 8.3521 117.9197 60.9180 38.7022 178.3132 404 K 4.0610 8.0729 118.9861 60.0018 32.3343 178.5529 405 T 4.0239 8.3410 115.5611 66.1914 68.3868 176.5071 406 V 3.9062 7.6779 119.3382 64.4740 32.9920 176.7956 407 I 3.8950 7.2757 120.5926 60.3837 35.4853 176.0135 408 K 4.1835 8.0057 122.5283 56.7233 31.9073 175.7511 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 4.44 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 337 D 8.25 4.28 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 9.38 3.93 0.00 1.98 1.93 0.00 3.41 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 339 R 8.08 3.96 0.00 2.20 1.98 0.00 3.24 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 340 Q 8.28 3.98 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 341 K 8.09 3.92 0.00 2.10 2.10 0.00 1.81 0.00 0.00 1.84 0.00 0.00 3.23 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.77 1.62 7.81 342 R 8.04 4.03 0.00 2.00 2.14 0.00 3.18 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 343 L 8.34 3.97 0.00 1.88 1.86 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 344 I 7.95 3.66 1.76 0.00 0.00 0.82 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 0.77 0.78 0.00 0.00 345 F 8.11 4.14 0.00 3.51 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 8.72 4.24 0.00 4.05 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 0.00 347 T 8.35 3.87 4.40 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 1.22 0.00 0.00 348 I 8.06 3.90 1.95 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 1.56 1.09 0.94 0.00 0.00 349 T 8.34 4.21 4.38 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 1.54 0.00 0.00 350 S 7.87 4.43 0.00 4.11 4.31 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 4.52 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.55 7.81 352 M 8.32 4.81 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.49 0.00 353 N 8.43 4.77 0.00 2.71 2.63 0.00 0.00 6.75 6.74 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 0.00 354 L 8.16 5.14 0.00 1.54 1.62 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 355 S 8.89 4.24 0.00 4.08 3.96 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 0.00 0.00 0.00 356 E 8.90 4.02 0.00 1.98 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 0.00 2.32 2.25 0.00 357 E 8.06 4.08 0.00 2.06 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 2.28 2.24 0.00 358 V 7.25 3.54 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 0.53 0.00 0.00 1.05 0.00 0.00 359 D 8.28 4.56 0.00 2.64 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 3.95 0.00 1.56 1.34 0.92 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 361 E 8.18 3.79 0.00 2.08 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 2.23 2.30 0.00 362 D 7.50 3.92 0.00 1.97 1.54 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 0.00 0.00 0.00 0.00 363 Y 6.69 4.06 0.00 2.53 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 0.00 364 V 7.51 3.59 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 0.76 0.00 0.00 0.94 0.00 0.00 365 A 7.93 4.19 1.21 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 0.00 0.00 366 R 7.49 4.31 0.00 2.03 1.92 0.00 2.37 0.00 0.00 2.96 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 367 P 0.00 4.42 0.00 2.21 2.20 0.00 3.80 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 2.04 2.01 0.00 368 D 8.16 4.39 0.00 2.94 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 369 K 8.58 4.27 0.00 1.74 1.81 0.00 1.64 0.00 0.00 1.94 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.51 7.81 370 I 7.93 4.45 1.92 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.66 0.85 0.00 0.00 371 S 9.00 4.90 0.00 3.96 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 0.00 372 G 8.63 3.66 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 0.00 0.00 0.00 373 A 7.86 3.95 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 7.63 4.22 0.00 2.84 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 0.00 375 I 7.84 3.41 1.76 0.00 0.00 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 0.87 0.63 0.05 0.00 0.00 376 N 8.24 4.24 0.00 2.77 2.95 0.00 0.00 7.24 8.31 0.00 0.00 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 8.32 4.06 0.00 3.97 3.85 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 0.00 378 I 8.23 3.65 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 1.15 0.00 0.00 379 C 8.02 4.11 0.00 3.14 3.04 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 0.00 380 Q 8.00 3.90 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 381 E 8.62 3.86 0.00 2.01 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 2.26 2.33 0.00 382 S 8.05 3.92 0.00 3.49 2.95 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 0.00 383 G 7.94 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 7.95 4.00 0.00 2.00 2.23 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 2.71 0.00 385 L 8.54 4.05 0.00 1.71 1.78 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 386 A 8.00 4.09 1.41 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 0.00 0.00 0.00 387 V 7.98 3.55 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 1.02 0.00 0.00 0.98 0.00 0.00 388 R 8.39 4.21 0.00 1.89 1.96 0.00 3.14 0.00 0.00 3.13 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 389 E 7.00 4.52 0.00 1.97 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 2.20 2.20 0.00 390 N 8.56 4.17 0.00 2.83 2.85 0.00 0.00 6.85 8.06 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 0.00 391 R 8.10 4.65 0.00 1.79 1.99 0.00 3.29 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.53 0.00 392 Y 8.83 4.43 0.00 3.15 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 0.00 393 I 7.03 4.27 1.06 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.72 0.76 0.00 0.00 394 V 9.11 4.11 2.18 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 0.88 0.00 0.00 0.90 0.00 0.00 395 L 9.98 5.06 0.00 1.61 1.59 0.93 0.86 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 0.00 396 A 8.76 4.25 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 8.12 4.03 0.00 2.02 2.12 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.54 7.81 398 D 8.00 4.25 0.00 2.66 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 0.00 399 F 8.02 3.97 0.00 2.91 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 0.00 0.00 0.00 0.00 400 E 8.40 4.17 0.00 2.27 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 2.69 2.60 0.00 401 K 8.15 3.94 0.00 1.81 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.70 7.81 402 A 8.03 3.94 1.33 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 0.00 0.00 0.00 403 Y 8.35 3.92 0.00 3.32 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 0.00 404 K 8.07 4.06 0.00 2.05 2.06 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.22 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.59 7.81 405 T 8.34 4.02 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 406 V 7.68 3.91 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 0.80 0.00 0.00 0.96 0.00 0.00 407 I 7.28 3.89 1.69 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.30 0.88 0.00 0.00 408 K 8.01 4.18 0.00 1.88 1.80 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.47 7.81