NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 601 M 4.5391 8.3049 120.2764 55.0808 33.8778 174.2409 602 K 4.3060 8.9938 119.0585 55.6512 33.9430 174.9372 603 K 5.0622 9.2988 122.3236 54.5409 35.6717 175.1480 604 W 5.2557 9.3145 123.3080 54.7366 32.9519 174.7061 605 V 4.9323 8.8317 123.2599 59.7675 34.0883 174.3591 606 C 3.3499 8.9570 125.6833 59.1128 31.9645 173.9285 607 T 4.2481 8.4157 116.2598 62.3916 69.0168 175.5832 608 V 3.9650 7.5931 122.2119 64.7307 32.0878 175.9633 609 C 4.6846 7.7729 109.4195 56.9035 30.7853 174.6562 610 G 3.9237 8.4575 109.0800 45.0182 0.0000 173.1367 611 Y 4.3115 7.8640 121.1403 58.2605 39.9632 174.7736 612 I 4.9056 7.6147 125.6890 59.6097 39.8655 174.0584 613 Y 4.5301 9.0573 128.7049 56.1077 40.7287 173.5501 614 D 4.6511 7.6786 126.7220 52.3991 42.7054 176.3217 615 E 4.1307 8.8903 127.0507 59.3724 30.1093 179.4298 616 D 4.3356 8.3372 118.5146 57.4237 40.6794 178.5640 617 A 4.0456 8.3509 120.9544 52.6124 19.6385 178.2032 618 G 4.0743 7.5781 104.2169 45.3391 0.0000 175.4030 619 D 4.8890 8.7613 111.4333 52.8268 42.8834 174.4819 620 P 4.4503 0.0000 0.0000 65.5999 32.1379 179.0124 621 D 4.3920 8.2348 116.7151 56.7109 40.8383 176.5961 622 N 4.8603 8.3671 115.5856 53.0661 38.8284 175.7137 623 G 3.8705 8.4960 105.3907 45.6099 0.0000 173.9911 624 I 4.3692 7.4308 120.7962 59.0851 38.4095 175.6044 625 S 4.5680 8.4198 121.9065 57.4007 63.4747 172.4281 626 P 4.4880 0.0000 0.0000 63.7041 31.5214 176.8438 627 G 3.8687 8.6958 109.2709 46.1212 0.0000 173.3601 628 T 4.4548 7.6810 117.1031 61.8850 69.2184 174.8546 629 K 4.4400 9.1056 126.9615 56.1478 32.7834 177.9434 630 F 3.6880 9.3690 124.1379 61.3066 39.2695 177.5933 631 E 3.6368 7.8694 118.5868 58.9164 29.3656 177.7328 632 E 4.0610 7.7384 116.9193 57.6337 29.9281 177.2132 633 L 3.8805 6.6184 118.4113 53.4841 42.2172 175.2374 634 P 4.2934 0.0000 0.0000 62.8875 31.8121 177.6136 635 D 4.1915 8.6631 121.3416 56.8499 40.8928 177.0896 636 D 4.7959 7.8141 116.3235 52.4147 39.7024 176.0911 637 W 4.2234 7.9124 129.5069 58.5216 31.0408 175.5212 638 V 4.2971 6.6299 115.4353 58.7214 35.1163 175.0647 639 C 3.5197 8.6238 122.2100 59.4082 31.5186 173.2849 640 P 4.0889 0.0000 0.0000 64.3924 31.3829 177.2525 641 L 4.3410 7.5714 117.4182 56.1089 42.4153 177.0586 642 C 4.5174 7.9717 109.2546 57.2683 30.9864 174.7249 643 G 3.8036 8.2088 108.8406 45.2766 0.0000 174.1420 644 V 3.8615 7.3646 119.2698 60.8511 32.5897 176.1543 645 G 4.2267 8.3392 110.3415 44.4912 0.0000 174.7794 646 K 4.2537 8.6610 117.8495 59.2941 31.9757 178.8386 647 D 4.7105 8.2511 116.0964 54.8848 39.7725 176.5125 648 Q 4.5668 8.5404 119.1362 56.0198 29.1532 174.9268 649 F 5.3538 8.5156 117.6008 56.4682 40.7738 174.9566 650 E 5.0766 9.1970 118.1054 54.1609 33.4505 174.6971 651 K 3.1216 8.4855 122.5588 56.7261 32.1113 176.0053 652 L 4.3877 8.4007 130.3954 57.0071 43.0871 176.1668 653 E 4.6288 7.3416 114.0238 55.1341 32.9604 175.2460 654 D 4.3820 8.4103 119.5971 54.7282 41.0551 176.5556 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 601 M 8.30 4.54 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.61 0.00 602 K 8.99 4.31 0.00 2.12 1.48 0.00 1.72 0.00 0.00 1.48 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.64 7.81 603 K 9.30 5.06 0.00 1.57 1.60 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.29 7.81 604 W 9.31 5.26 0.00 2.85 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 0.00 605 V 8.83 4.93 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 0.83 0.00 0.00 0.95 0.00 0.00 606 C 8.96 3.35 0.00 2.40 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 0.00 607 T 8.42 4.25 4.23 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 1.24 0.00 0.00 608 V 7.59 3.96 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 0.93 0.00 0.00 0.93 0.00 0.00 609 C 7.77 4.68 0.00 3.08 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 0.00 610 G 8.46 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 0.00 0.00 0.00 611 Y 7.86 4.31 0.00 3.12 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 0.00 612 I 7.61 4.91 1.69 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.89 0.86 0.00 0.00 613 Y 9.06 4.53 0.00 3.42 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 0.00 614 D 7.68 4.65 0.00 2.57 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 0.00 0.00 0.00 0.00 615 E 8.89 4.13 0.00 2.07 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 0.00 2.85 2.57 0.00 616 D 8.34 4.34 0.00 2.67 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 0.00 617 A 8.35 4.05 1.23 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 0.00 0.00 618 G 7.58 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 0.00 0.00 0.00 619 D 8.76 4.89 0.00 3.04 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 620 P 0.00 4.45 0.00 2.25 2.13 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 621 D 8.23 4.39 0.00 2.73 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 0.00 622 N 8.37 4.86 0.00 2.97 2.89 0.00 0.00 7.55 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 623 G 8.50 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 0.00 0.00 0.00 624 I 7.43 4.37 2.22 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.91 1.04 0.00 0.00 625 S 8.42 4.57 0.00 3.91 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 626 P 0.00 4.49 0.00 2.05 2.11 0.00 3.79 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 627 G 8.70 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 0.00 0.00 0.00 628 T 7.68 4.45 4.38 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 1.16 0.00 0.00 629 K 9.11 4.44 0.00 1.89 2.01 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.43 7.81 630 F 9.37 3.69 0.00 2.16 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 0.00 0.00 0.00 631 E 7.87 3.64 0.00 1.88 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 2.26 0.00 632 E 7.74 4.06 0.00 2.02 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 2.27 2.21 0.00 633 L 6.62 3.88 0.00 0.81 0.86 -1.48 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 634 P 0.00 4.29 0.00 2.20 1.97 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 635 D 8.66 4.19 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.81 4.80 0.00 2.74 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 0.00 637 W 7.91 4.22 0.00 3.13 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 0.00 638 V 6.63 4.30 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 0.79 0.00 0.00 0.60 0.00 0.00 639 C 8.62 3.52 0.00 3.22 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 0.00 640 P 0.00 4.09 0.00 1.86 1.91 0.00 2.27 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.94 0.00 641 L 7.57 4.34 0.00 1.63 1.72 1.12 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 642 C 7.97 4.52 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.21 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 644 V 7.36 3.86 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 1.00 0.00 0.00 645 G 8.34 4.23 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 0.00 0.00 0.00 646 K 8.66 4.25 0.00 1.75 1.73 0.00 1.21 0.00 0.00 0.65 0.00 0.00 2.13 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.83 1.32 7.81 647 D 8.25 4.71 0.00 2.87 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 0.00 648 Q 8.54 4.57 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 649 F 8.52 5.35 0.00 3.33 3.17 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 0.00 0.00 0.00 0.00 650 E 9.20 5.08 0.00 2.03 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 0.00 2.21 2.23 0.00 651 K 8.49 3.12 0.00 0.79 1.36 0.00 1.59 0.00 0.00 1.23 0.00 0.00 2.51 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.94 0.43 7.81 652 L 8.40 4.39 0.00 1.55 1.59 0.86 0.78 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 0.00 653 E 7.34 4.63 0.00 1.95 1.88 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 2.15 2.24 0.00 654 D 8.41 4.38 0.00 2.62 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