NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 439 M 4.3727 8.3044 120.3476 55.0686 33.7341 174.8275 440 C 4.0760 8.2799 126.1973 58.8753 31.9613 172.7573 441 L 4.2314 8.3687 126.4389 56.1665 41.7915 176.5393 442 V 4.1636 7.2413 115.8604 63.1296 34.0402 175.4852 443 C 4.9979 7.6310 111.8230 56.5513 30.6743 174.3214 444 S 4.1376 7.7467 114.8029 59.7258 60.9876 172.5014 445 D 4.5897 7.6330 121.3518 53.2920 43.0840 174.0848 446 E 4.0326 8.8836 116.3046 56.3109 28.0271 174.8125 447 A 4.1320 8.3655 127.9119 53.3345 17.9917 176.8443 448 S 4.3906 8.0124 121.1886 57.7787 63.8785 174.6519 449 G 4.0403 7.8530 109.6043 45.6311 0.0000 171.7841 450 C 3.7147 8.1387 121.3481 59.8487 27.7428 173.1681 451 H 4.5608 9.3111 123.3406 55.0346 30.4312 174.4628 452 Y 4.1269 9.3914 122.0801 59.4358 35.4103 171.7682 453 G 4.0185 8.8554 108.2078 44.9098 0.0000 174.5327 454 V 4.4756 7.4598 118.2990 60.3507 35.1968 174.6675 455 L 4.5824 8.4595 128.9275 55.6406 43.0412 175.7409 456 T 4.8226 8.3994 115.3233 59.8612 72.6167 172.9172 457 C 5.2440 8.0657 116.5962 57.2299 30.6317 174.9267 458 G 3.5930 8.5660 106.3565 47.7128 0.0000 176.0894 459 S 4.2168 7.9974 116.1807 61.6262 63.1679 176.2954 460 C 4.2850 8.0727 119.7988 61.9334 27.8770 175.6591 461 K 4.0670 7.6717 120.7288 59.8468 31.8035 179.2352 462 V 3.8327 7.7653 112.3162 64.0732 31.5464 178.0431 463 F 4.1226 8.5610 120.7419 61.5851 39.1640 177.1726 464 F 4.1293 8.6245 119.9044 61.1199 39.2147 176.9196 465 K 3.5623 8.0430 118.9167 59.5306 31.8321 178.8758 466 R 3.7535 7.9545 117.9550 59.1774 29.7454 178.9026 467 A 3.5918 7.4170 119.7728 54.7969 18.2142 179.6291 468 V 3.5174 6.9344 115.6550 66.2132 31.6936 177.8167 469 E 4.1043 7.9180 117.4907 60.2755 29.9085 179.3290 470 G 3.7146 7.8156 108.8072 46.9540 0.0000 170.9189 471 Q 3.6256 7.0327 115.6171 57.5486 31.0440 172.1178 472 H 4.3414 7.7088 112.3850 55.6110 29.8567 173.3912 473 N 4.4845 8.6347 121.1404 52.6382 39.3391 173.9395 474 Y 4.8247 8.4169 120.9509 56.3686 39.4199 174.5960 475 L 4.7555 8.4190 126.3942 52.8825 44.2433 175.4169 476 C 4.2522 8.7341 125.9885 59.5824 32.0660 172.8710 477 A 4.5869 8.6194 127.7251 52.0129 20.7231 177.4008 478 G 3.7373 8.4170 103.9571 45.6702 0.0000 175.0785 479 R 4.5794 8.5102 115.9554 55.9059 32.8690 175.1308 480 N 4.2335 8.6993 112.4930 54.2151 35.9249 174.3139 481 D 4.7575 7.3895 112.5778 53.1841 41.5384 175.1691 482 C 4.3190 7.9762 115.0579 59.3852 29.0568 174.0530 483 I 3.8216 8.1682 123.3054 61.4543 37.1458 176.4250 484 I 4.2126 8.2328 127.6577 59.3827 36.8864 174.0561 485 D 5.8500 7.7113 125.1702 49.9203 42.3493 176.4430 486 K 3.8016 8.7593 118.7424 60.1808 32.2562 179.1165 487 I 3.9451 7.9073 118.1346 63.7006 37.5513 177.4919 488 R 4.4172 8.2778 117.1526 56.2209 30.4796 178.3561 489 R 3.7621 8.0023 116.4455 59.1612 29.1590 177.8495 490 K 3.9777 7.8434 119.4092 59.1340 32.6631 177.5257 491 N 4.4137 8.6643 116.4229 55.6700 38.5741 174.7156 492 C 4.6633 7.5247 119.6728 55.6324 32.0898 171.8038 493 P 3.9702 0.0000 0.0000 65.1410 30.7000 177.8495 494 A 4.1927 7.9773 119.9699 55.7087 18.2967 179.2819 495 C 4.1293 8.0045 114.0782 62.7562 28.3173 176.2018 496 R 3.8305 8.2080 120.5994 59.6267 29.6467 178.0007 497 Y 4.7577 8.7448 119.7924 60.8262 38.7837 177.7571 498 R 3.8121 8.5359 120.3321 59.2356 30.4280 178.1819 499 K 4.2046 8.2484 116.8937 58.4515 32.8834 178.8163 500 C 4.1202 8.0341 119.0950 63.0420 28.2490 175.6118 501 L 4.0017 7.9564 120.4637 58.1493 41.0272 179.7823 502 Q 4.0706 8.1356 116.2026 58.2468 28.7469 177.6785 503 A 4.2858 7.6105 119.6068 52.2691 18.7728 177.8767 504 G 4.0550 7.5674 105.1644 45.1673 0.0000 174.2861 505 M 4.2753 7.5791 119.7385 55.2243 32.3429 175.5368 506 N 5.1185 8.6064 120.0304 52.7654 42.4027 174.4219 507 L 4.1835 8.7541 123.4700 55.0627 41.2467 176.4906 508 E 4.5752 8.5244 118.7376 54.9484 31.1713 175.8241 509 A 4.7465 8.3451 129.3724 52.3221 20.0054 178.2521 510 R 4.0677 8.1710 117.7837 58.9916 29.4077 179.5307 511 K 4.1134 8.1840 123.5872 57.2643 31.6325 183.2290 512 T 4.1177 7.6545 111.7470 64.3216 68.5884 180.5572 513 K 4.2676 7.6423 124.9179 55.6874 32.8472 181.3657 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 439 M 8.30 4.37 0.00 1.99 2.03 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 2.58 2.53 0.00 440 C 8.28 4.08 0.00 3.05 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 0.00 441 L 8.37 4.23 0.00 1.63 1.69 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 442 V 7.24 4.16 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 0.83 0.00 0.00 0.93 0.00 0.00 443 C 7.63 5.00 0.00 3.06 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 0.00 444 S 7.75 4.14 0.00 4.04 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 0.00 445 D 7.63 4.59 0.00 2.69 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 0.00 446 E 8.88 4.03 0.00 2.13 2.14 0.00 0.00 0.00 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 2.27 0.00 447 A 8.37 4.13 1.34 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 0.00 0.00 448 S 8.01 4.39 0.00 4.19 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 0.00 449 G 7.85 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 0.00 0.00 0.00 450 C 8.14 3.71 0.00 2.91 2.86 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 0.00 451 H 9.31 4.56 0.00 3.05 2.73 0.00 5.96 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 452 Y 9.39 4.13 0.00 3.13 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 453 G 8.86 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 454 V 7.46 4.48 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 0.83 0.00 0.00 0.96 0.00 0.00 455 L 8.46 4.58 0.00 1.79 1.53 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 456 T 8.40 4.82 4.27 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 1.27 0.00 0.00 457 C 8.07 5.24 0.00 3.13 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 458 G 8.57 3.59 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 0.00 0.00 0.00 459 S 8.00 4.22 0.00 4.08 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 460 C 8.07 4.29 0.00 3.04 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 0.00 461 K 7.67 4.07 0.00 1.63 1.88 0.00 1.43 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.33 7.81 462 V 7.77 3.83 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 0.93 0.00 0.00 1.13 0.00 0.00 463 F 8.56 4.12 0.00 3.15 3.40 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 0.00 464 F 8.62 4.13 0.00 3.52 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 465 K 8.04 3.56 0.00 1.90 1.83 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.34 7.81 466 R 7.95 3.75 0.00 2.00 1.85 0.00 3.38 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 467 A 7.42 3.59 0.08 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 0.00 0.00 468 V 6.93 3.52 1.59 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 0.69 0.00 0.00 0.34 0.00 0.00 469 E 7.92 4.10 0.00 1.97 1.84 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 2.24 2.16 0.00 470 G 7.82 3.71 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 0.00 0.00 0.00 471 Q 7.03 3.63 0.00 1.79 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.87 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 472 H 7.71 4.34 0.00 2.57 3.07 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 473 N 8.63 4.48 0.00 2.69 2.79 0.00 0.00 6.99 7.46 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 0.00 474 Y 8.42 4.82 0.00 3.09 2.92 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 0.00 0.00 0.00 0.00 475 L 8.42 4.76 0.00 1.64 1.59 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 476 C 8.73 4.25 0.00 3.01 2.84 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 0.00 477 A 8.62 4.59 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 0.00 478 G 8.42 3.74 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 0.00 0.00 0.00 479 R 8.51 4.58 0.00 1.83 1.85 0.00 3.26 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 480 N 8.70 4.23 0.00 2.89 2.94 0.00 0.00 6.79 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 0.00 481 D 7.39 4.76 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 482 C 7.98 4.32 0.00 2.99 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 483 I 8.17 3.82 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.45 0.89 0.00 0.00 484 I 8.23 4.21 1.83 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 1.44 1.35 0.82 0.00 0.00 485 D 7.71 5.85 0.00 2.83 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 0.00 486 K 8.76 3.80 0.00 1.71 1.87 0.00 1.91 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.46 7.81 487 I 7.91 3.95 1.96 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 1.62 0.51 0.89 0.00 0.00 488 R 8.28 4.42 0.00 1.90 1.91 0.00 3.12 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 489 R 8.00 3.76 0.00 1.73 2.05 0.00 2.92 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.54 0.00 490 K 7.84 3.98 0.00 1.66 1.83 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.49 7.81 491 N 8.66 4.41 0.00 2.81 2.84 0.00 0.00 6.72 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 0.00 492 C 7.52 4.66 0.00 2.87 2.72 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 0.00 493 P 0.00 3.97 0.00 0.49 1.90 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 494 A 7.98 4.19 1.50 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 0.00 495 C 8.00 4.13 0.00 2.97 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 0.00 496 R 8.21 3.83 0.00 1.69 1.69 0.00 2.67 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.37 0.00 497 Y 8.74 4.76 0.00 3.38 3.37 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 0.00 498 R 8.54 3.81 0.00 1.93 2.18 0.00 3.15 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 499 K 8.25 4.20 0.00 2.04 2.04 0.00 1.35 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.71 1.48 7.81 500 C 8.03 4.12 0.00 3.62 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 0.00 501 L 7.96 4.00 0.00 1.81 1.66 1.06 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 502 Q 8.14 4.07 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 503 A 7.61 4.29 1.35 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 0.00 0.00 504 G 7.57 4.06 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 0.00 0.00 0.00 505 M 7.58 4.28 0.00 0.72 1.12 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.27 0.00 506 N 8.61 5.12 0.00 2.70 2.71 0.00 0.00 7.23 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 L 8.75 4.18 0.00 1.61 1.54 0.65 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 508 E 8.52 4.58 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 509 A 8.35 4.75 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 0.00 510 R 8.17 4.07 0.00 1.88 1.97 0.00 3.33 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.63 0.00 511 K 8.18 4.11 0.00 1.70 1.82 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.27 7.81 512 T 7.65 4.12 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 1.21 0.00 0.00 513 K 7.64 4.27 0.00 1.74 1.51 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.29 1.25 7.81