NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 586 M 4.5277 8.3049 120.3275 55.5282 33.0013 173.7677 587 E 4.3136 8.5305 121.3925 56.5310 32.2993 176.8434 588 K 3.9250 8.3750 119.1486 59.6914 33.1968 177.9940 589 S 4.2062 8.1911 112.8648 61.4525 62.1136 175.9440 590 L 3.8985 7.7137 122.3081 58.0671 42.0438 178.5830 591 V 3.5810 7.6664 117.6869 66.3732 31.5321 177.3410 592 D 4.5140 8.3502 118.6651 58.0016 40.6512 179.3954 593 T 3.8566 7.8941 115.6134 66.7569 68.4802 176.3965 594 V 3.5445 7.7270 119.8657 66.5764 31.4689 177.4723 595 Y 4.0333 7.9471 115.7357 61.2686 37.7432 178.8323 596 A 4.2442 8.1366 121.2781 55.1538 18.0887 179.7220 597 L 4.1010 8.2464 117.8728 57.5587 41.6325 179.7601 598 K 4.0510 8.1736 118.7783 59.5559 32.0152 178.8944 599 D 4.3565 8.1533 118.9022 57.4481 40.9111 178.4046 600 E 3.9537 8.7163 119.1824 59.8138 29.5609 179.7963 601 V 3.6031 8.8908 118.6746 66.0245 31.4508 177.8143 602 Q 3.9279 8.2446 119.2962 59.1852 28.9327 177.7155 603 E 3.9241 8.3247 120.3378 59.4002 29.5966 178.8998 604 L 4.0128 7.9205 118.8108 57.4213 41.2839 179.1442 605 R 3.8840 8.0332 118.8094 59.8223 30.0199 178.6911 606 Q 4.0274 8.2716 117.6990 59.0071 28.7375 178.3561 607 D 4.4521 8.3384 119.7815 57.0944 40.7069 178.4876 608 N 4.4522 8.2601 117.3156 55.8904 38.5473 177.6053 609 K 4.0653 7.8033 119.5056 59.5146 32.0994 179.0880 610 K 3.9987 8.1441 118.9727 59.4040 31.8722 178.7900 611 M 3.9277 8.0343 118.0445 58.8816 31.9629 178.8736 612 K 3.6020 8.2034 118.2709 59.3851 32.5476 178.0758 613 K 4.1520 7.7021 119.7577 59.0310 32.3016 178.8238 614 S 4.1105 8.4420 115.8070 61.6571 62.8080 176.4290 615 L 3.9946 8.6774 123.3880 58.2499 41.8463 178.8055 616 E 4.0894 8.0373 117.9418 58.6900 29.2969 178.8345 617 E 3.9302 8.0971 119.8770 59.1371 29.7430 178.3955 618 E 3.9760 8.1734 118.1458 59.6308 29.4715 178.9176 619 Q 3.9782 7.9360 117.8264 59.2182 28.8297 179.4227 620 R 3.7924 7.9535 118.4706 59.4233 30.3516 178.0374 621 A 3.9653 8.6837 121.3210 55.4590 18.2092 179.6099 622 R 3.7841 8.0351 116.6716 59.7051 30.2421 178.7244 623 K 3.5460 7.8545 117.9865 59.5999 31.8884 179.1044 624 D 4.2993 8.2739 119.1210 57.3964 40.8204 178.3267 625 L 3.9465 7.6757 118.9638 58.0017 41.6031 179.0215 626 E 3.8904 8.7636 119.5909 59.5564 29.2931 179.1003 627 K 3.9287 8.0699 117.2217 59.7438 32.4139 178.5424 628 L 3.9614 8.3547 120.8745 58.0003 41.8956 178.7927 629 V 3.5522 8.5011 118.3921 66.1990 31.2476 178.4083 630 R 3.8835 7.9312 114.7551 59.4131 29.3425 178.2126 631 K 3.9319 8.1105 120.7647 59.8251 31.3979 177.9845 632 V 3.3975 8.0644 116.0021 66.5800 30.5013 177.4025 633 L 4.6486 8.9904 119.4969 57.6036 41.6285 178.7498 634 K 4.1610 7.9370 117.2398 56.8380 32.5630 176.8596 635 N 4.8721 9.4518 116.3016 54.3869 39.9704 176.4491 636 M 4.1172 7.8098 119.7508 56.6260 31.4462 176.5156 637 N 4.1156 8.7119 123.6894 55.4925 38.4942 174.6288 638 D 4.4038 8.6288 123.3880 53.0717 36.6245 172.3407 639 P 4.6797 0.0000 0.0000 62.4635 32.4511 177.2532 640 A 5.0642 8.1069 123.1861 51.4672 19.8755 175.6084 641 W 5.1502 7.8569 131.1916 56.4193 31.4553 176.1454 642 D 4.0415 7.0237 121.4920 56.1227 38.2819 175.2949 643 E 3.3321 8.7506 118.9491 58.1451 28.9524 176.8054 644 T 3.3940 8.3507 122.1384 64.7015 65.8011 171.4971 645 N 4.4542 7.3634 123.0650 56.2256 40.3350 174.6855 646 L 4.1854 7.6803 122.2414 55.0650 41.6705 177.1653 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 586 M 8.30 4.53 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 587 E 8.53 4.31 0.00 2.03 1.92 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 2.29 2.31 0.00 588 K 8.38 3.93 0.00 1.83 1.81 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.51 7.81 589 S 8.19 4.21 0.00 3.93 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 0.00 590 L 7.71 3.90 0.00 1.80 1.78 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 591 V 7.67 3.58 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 1.28 0.00 0.00 1.02 0.00 0.00 592 D 8.35 4.51 0.00 2.91 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 0.00 593 T 7.89 3.86 4.43 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 1.22 0.00 0.00 594 V 7.73 3.54 2.13 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 0.91 0.00 0.00 0.93 0.00 0.00 595 Y 7.95 4.03 0.00 3.33 2.96 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 0.00 596 A 8.14 4.24 1.42 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 0.00 0.00 0.00 597 L 8.25 4.10 0.00 1.82 1.72 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 598 K 8.17 4.05 0.00 2.07 1.88 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.72 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.53 7.81 599 D 8.15 4.36 0.00 2.91 2.73 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 0.00 600 E 8.72 3.95 0.00 2.15 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 2.35 2.51 0.00 601 V 8.89 3.60 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 602 Q 8.24 3.93 0.00 2.23 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 603 E 8.32 3.92 0.00 2.31 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 2.31 2.41 0.00 604 L 7.92 4.01 0.00 1.94 1.69 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 605 R 8.03 3.88 0.00 2.01 2.08 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 606 Q 8.27 4.03 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 607 D 8.34 4.45 0.00 2.89 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 0.00 608 N 8.26 4.45 0.00 3.05 2.85 0.00 0.00 6.86 7.03 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 0.00 609 K 7.80 4.07 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.48 7.81 610 K 8.14 4.00 0.00 1.97 1.81 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.79 7.81 611 M 8.03 3.93 0.00 2.05 2.14 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 2.78 2.58 0.00 612 K 8.20 3.60 0.00 1.79 1.89 0.00 1.79 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 613 K 7.70 4.15 0.00 2.01 1.99 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.51 7.81 614 S 8.44 4.11 0.00 3.94 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 0.00 615 L 8.68 3.99 0.00 1.86 1.83 0.92 1.05 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 0.00 616 E 8.04 4.09 0.00 2.28 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 2.33 2.45 0.00 617 E 8.10 3.93 0.00 2.05 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 0.00 2.30 2.35 0.00 618 E 8.17 3.98 0.00 2.17 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 2.40 2.36 0.00 619 Q 7.94 3.98 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 620 R 7.95 3.79 0.00 1.92 2.07 0.00 3.13 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 621 A 8.68 3.97 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 0.00 622 R 8.04 3.78 0.00 1.91 2.14 0.00 3.12 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 623 K 7.85 3.55 0.00 1.92 1.87 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.70 7.81 624 D 8.27 4.30 0.00 2.94 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 0.00 625 L 7.68 3.95 0.00 1.98 1.74 0.92 0.69 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 0.00 626 E 8.76 3.89 0.00 2.05 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 0.00 2.31 2.37 0.00 627 K 8.07 3.93 0.00 1.89 1.86 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.65 7.81 628 L 8.35 3.96 0.00 1.82 1.74 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 629 V 8.50 3.55 2.29 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 0.99 0.00 0.00 0.99 0.00 0.00 630 R 7.93 3.88 0.00 2.00 2.17 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.55 0.00 631 K 8.11 3.93 0.00 1.85 2.08 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.48 7.81 632 V 8.06 3.40 2.28 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 1.01 0.00 0.00 0.94 0.00 0.00 633 L 8.99 4.65 0.00 1.97 1.75 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 634 K 7.94 4.16 0.00 2.01 1.85 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.47 7.81 635 N 9.45 4.87 0.00 2.96 2.84 0.00 0.00 6.99 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 0.00 636 M 7.81 4.12 0.00 2.19 1.89 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.79 0.00 637 N 8.71 4.12 0.00 2.82 2.88 0.00 0.00 6.12 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 0.00 638 D 8.63 4.40 0.00 2.87 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 0.00 639 P 0.00 4.68 0.00 2.07 2.06 0.00 3.74 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 640 A 8.11 5.06 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 0.00 641 W 7.86 5.15 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 0.00 642 D 7.02 4.04 0.00 2.42 2.37 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 0.00 643 E 8.75 3.33 0.00 2.10 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 2.18 2.36 0.00 644 T 8.35 3.39 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 0.00 645 N 7.36 4.45 0.00 2.94 2.74 0.00 0.00 7.06 6.66 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 0.00 646 L 7.68 4.19 0.00 1.67 1.57 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00