NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 555 M 4.3173 8.3049 118.7731 53.9710 33.7945 176.0326 556 W 4.4898 7.8174 118.9962 54.1739 30.1710 174.0096 557 K 4.8110 9.5754 122.5414 53.8525 36.0511 173.6351 558 P 4.5889 0.0000 0.0000 64.4771 31.6269 176.5051 559 G 4.4486 9.3648 111.8230 45.0242 0.0000 173.9379 560 D 4.5879 7.9591 119.9639 54.5176 41.7808 176.1557 561 E 4.6944 8.7978 122.5484 56.8058 30.8023 175.3972 562 C 4.6066 8.8641 116.7877 57.8195 34.1084 172.2101 563 F 5.5910 9.1339 117.8818 56.1171 40.3272 175.0773 564 A 5.2874 9.2690 126.8205 50.0628 21.4515 175.5325 565 L 4.1025 8.8052 124.3133 54.9890 42.7863 175.7729 566 Y 4.7486 9.2215 129.0537 56.4380 39.4939 176.5012 567 W 4.1456 8.6611 123.5898 59.2721 28.6664 177.1019 568 E 2.8497 5.9000 119.1014 57.7168 28.8942 176.6379 569 D 4.6238 6.9048 113.6662 51.7548 40.5923 174.5599 570 N 4.1508 7.7812 114.6768 54.8177 36.9524 173.8761 571 K 4.6259 7.7064 113.8235 54.5404 37.0992 175.6583 572 F 5.3408 8.4849 120.5463 56.9574 40.1605 175.0923 573 Y 4.9696 9.5457 120.7609 55.7061 42.3362 174.8938 574 R 4.5746 9.3302 122.8897 57.4446 31.1286 175.0195 575 A 4.9507 9.2639 127.0586 50.1919 23.6042 173.8138 576 E 4.8758 8.7080 120.7646 53.9498 32.2528 175.4229 577 V 3.7364 8.9134 130.4073 64.3320 31.9956 176.4940 578 E 4.4207 9.1966 126.5069 58.3527 30.8019 172.7853 579 A 4.8122 7.7779 120.4095 50.0894 23.1272 174.6002 580 L 5.0795 8.3776 119.0860 53.0517 44.4691 176.0447 581 H 4.6205 8.9786 123.8450 55.6012 30.7168 176.4338 582 S 4.2622 8.7010 119.2600 60.4866 63.0929 175.5581 583 S 4.1647 8.4009 115.6139 59.4562 63.1094 175.3926 584 G 3.9849 8.4121 108.0311 45.8875 0.0000 173.5227 585 M 4.6328 7.9108 119.6806 55.7209 34.2142 175.8014 586 T 5.2482 7.7933 107.1417 59.9357 73.2610 172.6149 587 A 5.1644 8.9287 122.9376 50.2649 23.0716 175.4577 588 V 4.4467 8.5515 121.3920 62.5980 33.0230 175.4927 589 V 4.7636 9.0796 120.2995 59.3317 36.0940 174.5576 590 K 4.3217 8.3747 124.6674 54.2971 33.8796 175.4751 591 F 4.3788 8.5518 127.6797 57.8870 39.3258 177.1069 592 I 3.8103 8.8533 125.0977 64.3282 37.4069 177.4940 593 D 4.4532 8.3227 119.0833 56.7665 40.8054 176.5731 594 Y 4.2603 7.9250 113.0935 56.7948 39.5946 176.3531 595 G 3.8420 8.2949 107.7753 45.9043 0.0000 172.8038 596 N 4.9042 7.9100 117.4175 51.9916 39.0794 173.5818 597 Y 5.0628 8.9035 120.6231 57.5297 39.4221 174.6679 598 E 4.9866 9.3841 121.8284 54.8723 34.8015 173.7119 599 E 4.9973 8.8657 123.2257 55.3850 30.8520 175.6135 600 V 4.7328 8.9534 119.5035 59.1778 36.3502 175.2807 601 L 4.5540 8.4339 122.6044 54.5976 41.8872 178.6998 602 L 4.0266 8.6438 122.8932 57.5783 41.7241 179.3423 603 S 4.4707 8.1679 111.4214 60.0078 63.4127 174.0851 604 N 5.4514 8.6363 119.9917 53.0169 39.7122 173.7986 605 I 5.2047 7.7021 111.0232 59.1803 40.2141 174.7637 606 K 5.0204 9.2025 124.6519 53.8621 35.0639 174.0836 607 P 5.0361 0.0000 0.0000 62.5895 32.4650 176.4248 608 I 3.6152 8.1923 120.8008 61.7653 36.9999 176.0995 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 555 M 8.30 4.32 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 556 W 7.82 4.49 0.00 3.38 3.11 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 0.00 557 K 9.58 4.81 0.00 1.97 1.91 0.00 1.44 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.24 7.81 558 P 0.00 4.59 0.00 2.09 2.28 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 559 G 9.36 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 560 D 7.96 4.59 0.00 2.97 2.90 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 0.00 561 E 8.80 4.69 0.00 1.80 1.76 0.00 0.00 0.00 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 2.21 0.00 562 C 8.86 4.61 0.00 2.85 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 0.00 563 F 9.13 5.59 0.00 2.96 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 0.00 564 A 9.27 5.29 1.06 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 0.00 565 L 8.81 4.10 0.00 1.33 1.56 0.23 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 566 Y 9.22 4.75 0.00 2.62 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 0.00 567 W 8.66 4.15 0.00 3.43 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 0.00 568 E 5.90 2.85 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.47 0.00 569 D 6.90 4.62 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 570 N 7.78 4.15 0.00 2.77 2.84 0.00 0.00 6.65 8.89 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 0.00 571 K 7.71 4.63 0.00 1.85 1.37 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.57 7.81 572 F 8.48 5.34 0.00 2.77 2.90 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 0.00 573 Y 9.55 4.97 0.00 3.18 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 0.00 574 R 9.33 4.57 0.00 2.13 1.98 0.00 3.13 0.00 0.00 3.47 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.45 0.00 575 A 9.26 4.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 576 E 8.71 4.88 0.00 1.92 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 2.16 2.34 0.00 577 V 8.91 3.74 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.72 0.00 0.00 578 E 9.20 4.42 0.00 1.78 1.83 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 2.20 2.13 0.00 579 A 7.78 4.81 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 580 L 8.38 5.08 0.00 1.55 1.62 1.06 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 581 H 8.98 4.62 0.00 3.25 3.14 0.00 5.59 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 582 S 8.70 4.26 0.00 4.02 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 0.00 583 S 8.40 4.16 0.00 4.01 4.08 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 0.00 584 G 8.41 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 0.00 585 M 7.91 4.63 0.00 1.93 2.08 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 2.54 2.79 0.00 586 T 7.79 5.25 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 1.20 0.00 0.00 587 A 8.93 5.16 1.13 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 0.00 0.00 588 V 8.55 4.45 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 1.22 0.00 0.00 0.98 0.00 0.00 589 V 9.08 4.76 1.64 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 0.41 0.00 0.00 0.53 0.00 0.00 590 K 8.37 4.32 0.00 0.95 1.35 0.00 1.46 0.00 0.00 1.36 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.02 0.61 7.81 591 F 8.55 4.38 0.00 3.06 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 0.00 592 I 8.85 3.81 2.03 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 1.25 0.41 0.91 0.00 0.00 593 D 8.32 4.45 0.00 2.85 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 0.00 594 Y 7.93 4.26 0.00 2.86 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 0.00 595 G 8.29 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 0.00 596 N 7.91 4.90 0.00 2.95 3.05 0.00 0.00 6.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 597 Y 8.90 5.06 0.00 2.90 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 0.00 598 E 9.38 4.99 0.00 2.24 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 0.00 2.74 3.10 0.00 599 E 8.87 5.00 0.00 2.02 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 2.27 2.36 0.00 600 V 8.95 4.73 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 0.98 0.00 0.00 0.95 0.00 0.00 601 L 8.43 4.55 0.00 1.76 1.63 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 602 L 8.64 4.03 0.00 1.82 1.88 1.11 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 603 S 8.17 4.47 0.00 4.06 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 0.00 604 N 8.64 5.45 0.00 2.85 2.93 0.00 0.00 6.37 6.88 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 0.00 605 I 7.70 5.20 1.52 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 1.07 0.08 0.78 0.00 0.00 606 K 9.20 5.02 0.00 1.78 1.79 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.15 0.72 7.81 607 P 0.00 5.04 0.00 2.10 2.02 0.00 3.91 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 608 I 8.19 3.62 1.76 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.55 0.78 0.00 0.00