NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 624 D 4.5868 8.3649 120.1907 53.7712 43.1641 175.9363 625 D 4.4162 8.1304 117.2989 55.7837 41.5042 175.4550 626 D 4.8536 8.8013 117.6914 54.3826 42.6462 176.9846 627 D 4.5917 7.9438 120.7906 56.1378 41.6349 178.1029 628 K 3.8714 8.0748 120.1294 59.8667 32.0360 177.9645 629 M 4.0909 8.0961 116.3146 58.7041 31.0536 177.6576 630 E 3.9788 7.7468 121.2501 58.5539 29.6854 178.7113 631 W 4.1239 8.4063 128.2316 60.6287 30.7338 177.7964 632 D 4.3264 8.4929 118.9510 57.1872 40.2201 178.4268 633 R 3.8415 8.6400 119.5597 59.7726 30.1742 178.4735 634 E 3.9471 8.5390 118.4127 59.2069 29.6029 179.3081 635 I 3.3993 7.8017 120.2250 64.6774 37.1953 178.2899 636 N 4.3767 8.3488 116.9534 55.8269 38.3037 177.4559 637 N 4.2169 8.0022 118.4694 56.4242 38.6930 177.0325 638 Y 4.0794 7.7858 117.8288 60.9587 37.9529 178.3244 639 T 3.9032 7.7954 116.7247 66.4996 68.4548 176.7403 640 S 3.9944 7.9537 115.1807 60.9763 62.3571 175.9379 641 L 3.8959 7.9365 123.0530 58.2771 41.9217 178.8952 642 I 3.7233 8.2761 120.0309 64.7729 37.0488 177.9898 643 H 4.2007 8.2620 116.8540 59.0797 28.5690 177.8839 644 S 4.1296 8.2351 116.7628 61.7605 62.7359 176.8062 645 L 4.0543 8.0878 121.5399 57.9688 41.3422 179.7750 646 I 3.7573 7.9564 119.7498 64.0565 37.0482 178.0504 647 E 3.8873 8.2209 120.2314 59.4722 29.5379 178.7189 648 E 3.9841 8.5972 118.9268 59.6813 29.4970 179.6818 649 S 4.1742 8.2475 115.1231 61.5248 62.8511 176.7462 650 Q 4.0054 8.5948 121.3397 59.0718 28.4691 178.5404 651 N 4.4070 8.1644 117.4414 56.1620 38.5366 177.3743 652 Q 4.0064 8.2904 121.1315 58.8736 29.1332 178.0079 653 Q 3.9195 8.2649 120.9706 58.9859 29.2370 177.5993 654 E 3.9334 8.0842 119.7264 59.5014 29.4730 179.4531 655 K 3.9484 7.9667 119.2010 59.7168 32.4531 178.6834 656 N 4.3448 8.4079 116.8583 56.2510 38.3801 177.2380 657 E 4.0933 8.2350 119.9957 59.0257 29.4981 179.1690 658 Q 3.9382 7.9974 117.8394 59.0579 28.6427 178.1421 659 E 3.9199 8.4539 119.8170 59.6925 29.4729 179.6355 660 L 3.9735 7.8725 119.4629 57.8741 42.0454 178.2270 661 L 4.0708 8.2585 120.8571 58.7349 42.0632 179.0543 662 E 4.1021 8.6238 117.8979 58.7027 29.2935 178.8825 663 L 4.1951 7.6043 120.6518 57.7300 42.3296 178.0735 664 D 4.4446 8.3704 119.1385 57.4578 40.6898 179.1874 665 K 4.2656 7.7974 119.8807 58.5835 32.2752 179.0950 666 W 4.0281 8.1638 118.4108 60.0668 29.0750 178.1255 667 A 4.1297 8.2411 120.4826 55.4614 17.9897 179.5293 668 S 4.1155 8.1499 111.9631 62.0790 62.6697 176.4461 669 L 3.6637 8.5316 122.6068 57.3139 41.3519 179.4193 670 W 3.3364 8.4680 118.7036 59.5046 28.8842 177.8420 671 N 4.7810 8.6544 113.2817 53.8055 37.9575 175.3608 672 W 4.5332 7.8863 130.8907 59.2402 32.1642 177.4856 673 F 4.3733 7.3090 117.0843 61.4427 37.8417 176.3202 674 N 4.4678 8.2611 116.4604 56.0300 38.4739 176.5216 675 I 3.6093 7.6951 122.4981 65.8020 37.5251 177.5692 676 T 3.5172 8.3855 115.9795 64.8572 68.0458 175.4647 677 N 3.7799 7.5619 122.3928 54.8399 39.7042 175.3456 678 W 4.1469 5.8541 118.0154 56.5605 33.5284 174.4890 679 L 4.6046 7.6764 120.8513 53.5274 39.4265 174.0188 680 W 4.6459 8.1499 124.6201 57.7693 30.3092 176.2794 681 Y 3.8965 9.0393 120.2804 58.5004 36.8989 169.0717 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 624 D 8.36 4.59 0.00 2.64 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 0.00 625 D 8.13 4.42 0.00 2.79 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 0.00 626 D 8.80 4.85 0.00 2.70 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 0.00 627 D 7.94 4.59 0.00 2.68 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 0.00 628 K 8.07 3.87 0.00 1.84 1.87 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.68 7.81 629 M 8.10 4.09 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.70 0.00 630 E 7.75 3.98 0.00 2.14 2.25 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 2.37 2.56 0.00 631 W 8.41 4.12 0.00 3.46 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 632 D 8.49 4.33 0.00 3.08 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 0.00 633 R 8.64 3.84 0.00 2.08 1.98 0.00 3.09 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 634 E 8.54 3.95 0.00 2.11 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 2.39 2.50 0.00 635 I 7.80 3.40 1.59 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 -0.36 0.62 0.00 0.00 636 N 8.35 4.38 0.00 2.80 2.80 0.00 0.00 7.14 6.63 0.00 0.00 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 N 8.00 4.22 0.00 2.57 2.49 0.00 0.00 6.87 7.64 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 0.00 638 Y 7.79 4.08 0.00 2.99 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 0.00 639 T 7.80 3.90 4.31 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 0.00 0.00 0.00 1.02 0.00 0.00 640 S 7.95 3.99 0.00 3.93 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 0.00 641 L 7.94 3.90 0.00 1.78 1.83 0.92 0.96 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 0.00 642 I 8.28 3.72 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.97 0.95 0.00 0.00 643 H 8.26 4.20 0.00 3.33 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 644 S 8.24 4.13 0.00 4.02 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 0.00 645 L 8.09 4.05 0.00 1.84 1.73 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 646 I 7.96 3.76 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.54 0.90 0.00 0.00 647 E 8.22 3.89 0.00 2.13 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 2.30 2.35 0.00 648 E 8.60 3.98 0.00 2.15 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 2.33 2.43 0.00 649 S 8.25 4.17 0.00 4.01 3.91 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 0.00 650 Q 8.59 4.01 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 651 N 8.16 4.41 0.00 2.84 2.85 0.00 0.00 6.67 7.34 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 0.00 652 Q 8.29 4.01 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 653 Q 8.26 3.92 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.52 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 654 E 8.08 3.93 0.00 2.24 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 2.33 2.70 0.00 655 K 7.97 3.95 0.00 2.01 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.71 1.48 7.81 656 N 8.41 4.34 0.00 2.82 2.85 0.00 0.00 7.10 7.84 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 0.00 657 E 8.23 4.09 0.00 2.04 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 2.33 2.57 0.00 658 Q 8.00 3.94 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 659 E 8.45 3.92 0.00 1.98 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 2.33 2.63 0.00 660 L 7.87 3.97 0.00 1.88 1.78 0.93 0.29 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 0.00 661 L 8.26 4.07 0.00 1.83 1.91 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 662 E 8.62 4.10 0.00 2.22 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 2.38 2.58 0.00 663 L 7.60 4.20 0.00 1.76 1.84 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 664 D 8.37 4.44 0.00 2.88 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 0.00 665 K 7.80 4.27 0.00 2.01 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.60 7.81 666 W 8.16 4.03 0.00 3.59 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 667 A 8.24 4.13 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 668 S 8.15 4.12 0.00 3.98 4.18 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 0.00 0.00 0.00 669 L 8.53 3.66 0.00 1.63 1.28 0.53 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 670 W 8.47 3.34 0.00 3.53 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 0.00 671 N 8.65 4.78 0.00 2.98 2.95 0.00 0.00 6.79 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 672 W 7.89 4.53 0.00 3.32 3.03 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 0.00 0.00 0.00 673 F 7.31 4.37 0.00 2.88 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 0.00 674 N 8.26 4.47 0.00 3.00 2.81 0.00 0.00 7.13 8.50 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 0.00 675 I 7.70 3.61 1.72 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.91 0.72 0.00 0.00 676 T 8.39 3.52 4.28 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 0.96 0.00 0.00 677 N 7.56 3.78 0.00 2.76 2.72 0.00 0.00 7.28 8.12 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 0.00 678 W 5.85 4.15 0.00 3.36 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 0.00 0.00 0.00 679 L 7.68 4.60 0.00 1.66 1.57 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 680 W 8.15 4.65 0.00 3.30 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 0.00 681 Y 9.04 3.90 0.00 3.17 3.15 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 0.00 0.00 0.00