NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 401 A 4.0539 8.1233 122.4570 51.9960 20.8869 175.7410 *403 D 4.5511 8.5248 118.2806 54.5630 40.8122 176.2310 404 C 4.5181 8.7727 121.0545 59.5119 40.7451 173.9130 405 A 4.7580 7.3683 117.8779 50.7246 22.6253 175.3347 406 K 5.3051 7.4274 119.0994 54.0803 35.5163 176.4474 407 G 3.8630 7.8983 112.9699 45.7384 0.0000 171.4483 408 K 4.6257 8.0788 118.5242 55.9104 32.8267 176.6844 409 I 4.2024 8.0067 121.7872 60.6148 37.7168 175.8108 410 E 4.2942 9.3839 128.3970 58.9765 30.0141 176.5115 411 F 5.1731 7.3608 112.1617 55.9797 41.1669 172.7109 412 S 5.1697 8.8362 113.3400 56.7838 66.6180 173.1206 413 K 4.5733 8.4961 121.4331 55.3277 35.8546 173.8280 414 Y 4.9142 8.7813 128.6982 56.5521 39.8807 174.5175 415 N 4.9205 8.4693 124.2241 51.3770 40.5793 175.7922 416 E 4.0020 8.7422 121.3131 59.1867 29.7682 177.3127 417 D 4.5908 7.9342 115.9805 53.0795 39.5627 176.4019 418 N 4.0374 8.2420 115.7970 54.0696 36.6495 174.1379 419 T 4.6620 7.8020 109.7146 60.7076 71.5561 173.1957 420 F 5.3102 9.2597 123.7554 56.7753 42.7135 173.5693 421 T 5.3403 8.7302 122.2629 62.0371 71.4332 173.7281 422 V 4.7537 9.2726 117.5837 59.3965 36.7106 174.3852 423 K 4.6893 8.1717 124.0223 54.6067 34.7345 174.9901 424 V 4.5624 8.3200 127.1905 61.4164 34.7144 175.6599 425 S 3.7082 9.4532 124.0514 59.8575 59.9705 173.3210 426 G 3.9308 8.2750 105.4209 45.9754 0.0000 173.6855 427 R 4.6191 7.6229 118.4434 54.3001 33.4129 174.7923 428 E 4.9968 8.2724 121.1512 55.2335 32.2038 174.7902 429 Y 5.4407 8.9483 119.7777 56.2272 42.9671 174.1505 430 W 5.7256 8.7498 118.3775 55.3657 32.2412 173.9673 431 T 4.5425 9.1795 114.6896 60.3393 70.4326 173.6367 432 N 5.0446 8.7006 123.6611 52.6685 38.0254 175.1004 433 R 4.1674 7.6310 119.6318 55.1301 29.7933 177.2987 434 W 4.3275 8.5180 122.5046 59.4293 27.9916 177.8153 435 N 4.0866 7.0778 117.0097 56.0301 37.8209 177.0246 436 L 4.0396 7.6813 119.9812 57.5063 41.5348 178.8245 437 Q 3.2042 7.7255 118.0207 58.7815 28.6735 177.7493 438 P 4.2022 0.0000 0.0000 65.8857 31.3629 178.4135 439 L 3.8700 7.3392 115.9602 57.4811 41.4258 179.4659 440 L 4.2966 8.7046 119.3254 58.0391 41.6182 179.3382 441 Q 4.1483 8.4224 119.7101 59.2908 28.9631 178.5626 442 S 4.1239 8.3488 116.0703 61.4277 62.8807 176.2654 443 A 4.0913 8.1055 123.5006 55.3002 17.8863 179.4712 444 Q 3.9285 8.5193 118.0839 59.5390 29.0242 178.2405 445 L 4.0402 8.1542 119.1868 57.6089 41.7931 178.8057 446 T 4.4709 8.0874 106.7175 61.1399 69.4693 175.4692 447 G 3.8957 7.7204 109.7141 46.0387 0.0000 173.6286 448 M 4.3656 7.7883 118.3497 55.4669 33.0335 175.9443 449 T 4.5782 8.4189 117.3238 62.7379 70.4126 174.5760 450 V 4.7404 8.5840 119.3338 59.7973 35.6697 175.1363 451 T 4.5324 8.0628 118.1976 61.7644 71.8495 173.4567 452 I 3.7311 8.0505 128.7964 60.6707 38.2781 175.2710 453 I 4.8014 7.8881 128.0419 59.6672 39.2745 174.8850 454 S 4.4273 8.4698 120.7818 58.0292 65.3794 173.5044 455 N 4.5641 8.8396 117.7286 54.2768 38.9712 175.7820 456 T 4.5396 7.7963 107.9748 60.2249 70.2442 174.4053 457 C 4.9719 8.7743 122.6764 56.3770 35.3037 173.9948 458 S 4.4445 7.7984 115.8172 57.4002 63.5571 173.4817 459 S 3.7396 8.3930 117.1261 60.2918 62.2976 174.7571 460 G 4.0424 8.9783 115.0048 45.3675 0.0000 173.7218 461 S 4.6775 7.7471 115.7485 57.9551 64.4912 173.8936 462 G 2.9448 8.3079 108.9422 45.2904 0.0000 172.8714 463 F 4.9796 7.6742 114.7094 55.2431 41.1473 174.5120 464 A 4.3576 8.3165 119.8312 52.0598 20.6702 175.3299 465 E 4.8881 8.2306 119.0846 55.5797 33.1384 174.6432 466 V 4.7914 8.2914 124.5283 60.5267 34.5480 172.8791 467 Q 4.5702 8.4170 124.7112 54.4332 31.3760 173.9073 468 F 5.3082 8.8450 124.0214 55.7482 41.4323 175.1517 469 N 4.7137 9.0496 120.7020 53.3506 38.4796 174.5163 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 401 A 8.12 4.05 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.52 4.55 0.00 2.52 2.62 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 0.00 404 C 8.77 4.52 0.00 2.46 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 405 A 7.37 4.76 1.11 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 0.00 0.00 0.00 0.00 0.00 406 K 7.43 5.31 0.00 1.70 1.58 0.00 1.73 0.00 0.00 1.51 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.40 7.81 407 G 7.90 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 0.00 0.00 0.00 408 K 8.08 4.63 0.00 1.77 1.77 0.00 1.89 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.41 7.81 409 I 8.01 4.20 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.96 0.00 0.00 410 E 9.38 4.29 0.00 1.96 1.87 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 2.43 2.30 0.00 411 F 7.36 5.17 0.00 3.11 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 0.00 412 S 8.84 5.17 0.00 3.53 3.93 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 0.00 0.00 0.00 413 K 8.50 4.57 0.00 1.91 1.68 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.41 7.81 414 Y 8.78 4.91 0.00 3.38 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 0.00 415 N 8.47 4.92 0.00 2.89 2.63 0.00 0.00 6.21 7.26 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 0.00 416 E 8.74 4.00 0.00 1.95 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 2.31 2.35 0.00 417 D 7.93 4.59 0.00 2.73 2.66 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 0.00 418 N 8.24 4.04 0.00 2.90 3.05 0.00 0.00 6.85 7.16 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 0.00 419 T 7.80 4.66 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 420 F 9.26 5.31 0.00 3.14 3.02 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 0.00 421 T 8.73 5.34 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 1.35 0.00 0.00 422 V 9.27 4.75 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 0.91 0.00 0.00 1.07 0.00 0.00 423 K 8.17 4.69 0.00 0.79 0.82 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.13 1.24 7.81 424 V 8.32 4.56 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 0.88 0.00 0.00 0.82 0.00 0.00 425 S 9.45 3.71 0.00 4.07 3.92 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 0.00 426 G 8.27 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 427 R 7.62 4.62 0.00 1.81 1.38 0.00 3.10 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 428 E 8.27 5.00 0.00 1.83 1.81 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 2.13 2.21 0.00 429 Y 8.95 5.44 0.00 2.72 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 430 W 8.75 5.73 0.00 3.60 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 431 T 9.18 4.54 2.69 0.00 0.00 0.00 0.00 0.00 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 0.00 432 N 8.70 5.04 0.00 2.98 3.14 0.00 0.00 6.12 7.66 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 0.00 433 R 7.63 4.17 0.00 1.71 1.72 0.00 3.15 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 434 W 8.52 4.33 0.00 3.69 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 0.00 435 N 7.08 4.09 0.00 2.52 2.61 0.00 0.00 7.19 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 0.00 436 L 7.68 4.04 0.00 1.85 1.77 0.88 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 437 Q 7.73 3.20 0.00 2.21 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.74 2.30 0.00 438 P 0.00 4.20 0.00 2.25 2.31 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 439 L 7.34 3.87 0.00 1.99 1.51 0.86 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 440 L 8.70 4.30 0.00 2.00 2.08 1.33 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 441 Q 8.42 4.15 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 442 S 8.35 4.12 0.00 4.00 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 0.00 443 A 8.11 4.09 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.52 3.93 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 445 L 8.15 4.04 0.00 1.97 1.78 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 446 T 8.09 4.47 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 1.25 0.00 0.00 447 G 7.72 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 448 M 7.79 4.37 0.00 2.05 2.16 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 2.70 2.58 0.00 449 T 8.42 4.58 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 1.17 0.00 0.00 450 V 8.58 4.74 1.70 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 0.70 0.00 0.00 0.82 0.00 0.00 451 T 8.06 4.53 4.07 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 0.00 0.00 1.14 0.00 0.00 452 I 8.05 3.73 0.98 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.01 -0.44 0.00 0.00 453 I 7.89 4.80 1.90 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 0.99 0.62 0.95 0.00 0.00 454 S 8.47 4.43 0.00 3.81 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 455 N 8.84 4.56 0.00 2.74 2.85 0.00 0.00 6.67 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 0.00 456 T 7.80 4.54 4.29 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 1.24 0.00 0.00 457 C 8.77 4.97 0.00 3.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.80 4.44 0.00 4.01 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 0.00 459 S 8.39 3.74 0.00 3.70 3.75 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 0.00 460 G 8.98 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 0.00 461 S 7.75 4.68 0.00 4.04 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 462 G 8.31 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 0.00 0.00 0.00 463 F 7.67 4.98 0.00 2.84 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 464 A 8.32 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 465 E 8.23 4.89 0.00 1.98 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 2.23 2.26 0.00 466 V 8.29 4.79 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 0.66 0.00 0.00 0.19 0.00 0.00 467 Q 8.42 4.57 0.00 2.07 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 468 F 8.85 5.31 0.00 2.87 2.93 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 0.00 0.00 0.00 469 N 9.05 4.71 0.00 2.69 2.68 0.00 0.00 6.91 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 * Residues marked with a * may have inaccurate shift predictions.