NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 301 M 4.4475 8.1627 118.3254 55.2727 33.4684 173.6260 302 Q 4.7425 8.2561 121.3038 53.3774 31.2005 172.7188 303 I 4.5087 9.1388 119.0326 59.4801 42.1801 172.9851 304 F 5.4079 8.4357 120.5490 55.7934 42.5580 174.7352 305 V 4.7123 9.3455 122.5343 61.1136 34.2613 173.9618 306 K 4.9668 9.2886 130.6341 55.2422 34.0238 176.6076 307 T 4.7442 8.5692 118.0336 60.2510 70.3944 175.5336 308 L 4.0645 8.3661 123.2982 58.3255 42.1350 177.4595 309 T 4.2070 7.8523 105.8928 61.8098 68.5238 175.4251 310 G 3.9394 7.7680 109.5688 45.1989 0.0000 174.1580 311 K 4.2130 7.7428 122.3325 56.6353 33.4037 175.5821 312 T 5.1400 8.5085 123.0085 61.8370 71.1271 173.4100 313 I 4.6147 8.8477 126.6236 59.8237 40.2239 174.5097 314 T 5.0485 8.6107 122.8996 61.9492 70.4314 173.8777 315 L 4.8383 8.8979 125.0589 53.0125 46.6150 175.0621 316 E 4.9737 8.6667 120.7525 54.9597 31.1501 175.6866 317 V 4.6434 8.8487 117.2848 60.1680 36.6223 173.9716 318 E 4.7801 8.8604 120.2825 54.0058 32.3896 176.3465 319 P 4.2219 0.0000 0.0000 65.2190 31.6384 178.5250 320 S 4.3630 7.8822 110.9901 59.4315 63.8508 174.3284 321 D 4.5309 8.0574 123.1688 54.6988 41.1952 176.1362 322 T 4.7913 8.4677 114.1070 60.5695 71.8035 176.2272 323 I 3.7005 8.2530 122.2642 64.5031 36.9490 178.4252 324 E 3.9384 8.0490 120.1428 59.2852 29.3739 178.7048 325 N 4.2993 8.0030 116.1769 56.2859 38.6254 177.4121 326 V 3.5887 7.9499 119.7085 66.0839 31.4768 178.2634 327 K 4.2184 8.6385 119.5943 58.8442 31.8186 179.2058 328 A 3.9970 8.2570 121.2593 55.1064 18.3986 179.8122 329 K 4.1903 8.3824 118.7575 59.1633 32.1072 179.6534 330 I 3.7444 7.8648 120.1646 64.2760 37.0034 178.2789 331 Q 4.1250 8.3717 120.8444 59.2093 28.9570 177.7870 332 D 4.3653 8.4580 120.6319 57.3183 40.7285 178.8231 333 K 4.2657 7.8012 116.4816 58.3376 33.2031 177.7594 334 E 4.5704 8.6938 117.8596 54.9587 30.7285 176.6076 335 G 3.8362 8.3326 106.7178 46.1244 0.0000 173.1145 336 I 4.3052 7.5766 120.2229 58.3179 38.2864 174.0880 337 P 4.3557 0.0000 0.0000 62.2876 32.0900 175.9199 338 P 4.3220 0.0000 0.0000 65.3050 31.5703 178.5412 339 D 4.4031 8.0492 116.8868 55.9367 39.7382 176.8558 340 Q 4.5588 7.9527 118.1335 55.8097 28.5922 174.6460 341 Q 5.0462 7.8238 117.2075 54.2236 32.8215 174.8377 342 R 4.8304 8.5484 120.2617 54.6911 34.7370 174.1120 343 L 5.3432 8.6166 122.5811 53.0335 45.3627 175.3524 344 I 5.0959 8.7978 122.3386 59.6135 41.4880 174.3144 345 F 4.9928 8.6930 127.5242 56.9710 42.9309 174.3470 346 A 3.3743 9.1650 128.4628 53.0752 15.8932 178.1246 347 G 3.9791 8.3009 108.3306 46.6346 0.0000 174.5893 348 K 4.4820 7.4772 119.1461 54.8893 33.6477 175.6268 349 Q 4.5478 8.4179 121.4479 55.8365 29.4965 175.3857 350 L 4.1493 8.4602 124.7903 53.5713 42.9284 176.2446 351 E 4.3567 10.1163 125.0803 55.5958 30.5320 177.5104 352 D 4.3814 9.0429 124.0913 57.5024 41.0616 178.7402 353 G 3.9881 7.9502 104.0861 45.3655 0.0000 173.4260 354 R 4.2721 7.9362 121.2347 55.5103 31.3311 175.5900 355 T 4.7755 8.5861 113.2240 59.6619 71.2546 175.7049 356 L 4.0901 8.4934 121.1599 57.7991 41.8280 180.2820 357 S 4.1652 8.2203 113.5519 61.0984 63.3568 176.0279 358 D 4.1714 7.7246 120.2066 57.3817 40.4746 176.9981 359 Y 4.5761 7.3124 112.5135 57.2980 37.9705 175.0051 360 N 4.1584 8.1501 116.2418 54.0013 36.8445 174.4801 361 I 3.2919 7.5020 119.1877 61.4316 37.0754 176.3131 362 Q 4.4826 8.4602 125.8666 53.4353 30.7400 175.1998 363 K 4.1699 8.2468 117.8897 58.8111 32.6047 177.2097 364 E 4.0690 9.2267 120.5001 56.5655 28.3572 175.0465 365 S 4.5584 7.8812 115.8038 59.2283 64.1321 173.3203 366 T 5.1844 8.7181 118.5800 61.9824 70.9770 173.6589 367 L 5.1629 8.9665 124.3595 53.3218 45.9578 174.9963 368 H 5.3327 9.4540 118.5165 54.0110 31.8775 172.8613 369 L 4.9170 8.7004 125.2640 53.6172 43.2326 175.4913 370 V 4.4079 8.5536 126.7899 61.1898 33.6037 174.4577 371 L 4.6891 8.5454 127.5467 54.0941 43.1967 177.1211 372 R 4.5168 8.8831 122.9044 54.3023 29.8064 175.3204 373 L 4.7426 8.1399 122.5080 52.6122 44.8663 175.9984 374 R 4.6552 8.3989 118.2177 54.4667 32.7035 176.4740 375 G 3.7287 8.5726 110.2861 45.7314 0.0000 172.2637 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 301 M 8.16 4.45 0.00 2.07 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 2.49 2.61 0.00 302 Q 8.26 4.74 0.00 2.13 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 1.81 2.43 0.00 303 I 9.14 4.51 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.75 0.78 0.00 0.00 304 F 8.44 5.41 0.00 3.09 2.97 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 0.00 305 V 9.35 4.71 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 1.05 0.00 0.00 0.93 0.00 0.00 306 K 9.29 4.97 0.00 1.88 1.62 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.47 7.81 307 T 8.57 4.74 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 1.27 0.00 0.00 308 L 8.37 4.06 0.00 1.62 1.74 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 309 T 7.85 4.21 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 1.22 0.00 0.00 310 G 7.77 3.94 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 0.00 0.00 0.00 311 K 7.74 4.21 0.00 1.81 1.70 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.44 7.81 312 T 8.51 5.14 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 1.26 0.00 0.00 313 I 8.85 4.61 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.08 0.93 0.00 0.00 314 T 8.61 5.05 4.30 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 0.00 0.00 0.00 1.18 0.00 0.00 315 L 8.90 4.84 0.00 1.38 1.42 0.89 0.72 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 0.00 316 E 8.67 4.97 0.00 1.79 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 317 V 8.85 4.64 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 0.59 0.00 0.00 0.85 0.00 0.00 318 E 8.86 4.78 0.00 1.85 1.78 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 2.19 2.37 0.00 319 P 0.00 4.22 0.00 2.15 2.07 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 320 S 7.88 4.36 0.00 3.96 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 0.00 321 D 8.06 4.53 0.00 2.91 2.61 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 0.00 322 T 8.47 4.79 4.42 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 1.21 0.00 0.00 323 I 8.25 3.70 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.27 0.98 0.00 0.00 324 E 8.05 3.94 0.00 1.96 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 2.31 2.50 0.00 325 N 8.00 4.30 0.00 3.04 2.84 0.00 0.00 6.63 6.96 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 0.00 326 V 7.95 3.59 2.25 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 1.01 0.00 0.00 0.98 0.00 0.00 327 K 8.64 4.22 0.00 1.98 1.84 0.00 1.74 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.49 7.81 328 A 8.26 4.00 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 0.00 329 K 8.38 4.19 0.00 1.98 1.86 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.42 7.81 330 I 7.86 3.74 2.14 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 1.41 0.76 0.95 0.00 0.00 331 Q 8.37 4.12 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 332 D 8.46 4.37 0.00 2.90 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 0.00 333 K 7.80 4.27 0.00 1.94 1.93 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.47 7.81 334 E 8.69 4.57 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 2.26 2.44 0.00 335 G 8.33 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 0.00 0.00 0.00 336 I 7.58 4.31 1.88 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 1.42 0.66 0.92 0.00 0.00 337 P 0.00 4.36 0.00 2.28 1.99 0.00 3.60 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 338 P 0.00 4.32 0.00 2.18 2.10 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 339 D 8.05 4.40 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 340 Q 7.95 4.56 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 341 Q 7.82 5.05 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.53 0.00 342 R 8.55 4.83 0.00 1.75 1.76 0.00 3.22 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 343 L 8.62 5.34 0.00 1.54 1.52 0.91 0.83 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 8.80 5.10 1.92 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 1.15 0.99 0.94 0.00 0.00 345 F 8.69 4.99 0.00 3.01 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 0.00 346 A 9.16 3.37 0.70 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 0.00 0.00 347 G 8.30 3.98 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 0.00 0.00 0.00 348 K 7.48 4.48 0.00 1.81 1.74 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.60 7.81 349 Q 8.42 4.55 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 350 L 8.46 4.15 0.00 1.42 1.40 0.78 0.28 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 0.00 351 E 10.12 4.36 0.00 1.96 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 2.47 2.52 0.00 352 D 9.04 4.38 0.00 2.80 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 0.00 353 G 7.95 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 0.00 0.00 0.00 354 R 7.94 4.27 0.00 2.10 1.73 0.00 3.03 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.39 0.00 355 T 8.59 4.78 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 356 L 8.49 4.09 0.00 1.82 1.68 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 357 S 8.22 4.17 0.00 3.98 4.09 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 0.00 0.00 0.00 358 D 7.72 4.17 0.00 2.40 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 0.00 359 Y 7.31 4.58 0.00 3.00 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 0.00 360 N 8.15 4.16 0.00 2.92 2.94 0.00 0.00 6.94 7.99 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 0.00 361 I 7.50 3.29 1.73 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.07 0.60 0.00 0.00 362 Q 8.46 4.48 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 363 K 8.25 4.17 0.00 1.84 1.81 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.53 7.81 364 E 9.23 4.07 0.00 2.18 2.33 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 2.37 2.69 0.00 365 S 7.88 4.56 0.00 3.81 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 0.00 366 T 8.72 5.18 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 1.20 0.00 0.00 367 L 8.97 5.16 0.00 1.56 1.54 0.88 1.28 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 0.00 368 H 9.45 5.33 0.00 3.09 3.20 0.00 5.79 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 0.00 369 L 8.70 4.92 0.00 1.64 1.71 0.93 0.90 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 0.00 370 V 8.55 4.41 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 0.92 0.00 0.00 0.94 0.00 0.00 371 L 8.55 4.69 0.00 1.55 1.57 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 372 R 8.88 4.52 0.00 1.62 1.87 0.00 3.29 0.00 0.00 3.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 373 L 8.14 4.74 0.00 1.60 1.57 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 374 R 8.40 4.66 0.00 1.75 1.80 0.00 3.15 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 375 G 8.57 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00