NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 624 D 4.5705 8.3649 120.1918 54.3112 42.6262 175.7406 625 D 4.5175 8.2904 116.2425 54.1953 41.7455 177.3528 626 D 4.4400 8.8446 122.3791 57.6216 42.2795 178.7892 627 D 4.5172 8.1039 118.1629 56.7327 40.6886 178.8010 628 K 4.1301 8.2471 120.0718 59.4310 32.2098 179.1449 629 M 4.1889 8.0475 116.8275 57.9675 31.3293 178.1607 630 E 3.9409 8.4176 120.7082 58.8336 29.8757 178.1673 631 W 4.2266 8.1384 128.0101 60.9965 30.7652 177.2530 632 D 4.3191 8.7973 118.7940 57.8284 40.2686 179.6690 633 R 3.9098 8.0001 118.0496 59.3648 30.2840 179.0133 634 E 4.3163 8.6066 118.6344 59.0469 29.2945 179.4215 635 I 3.4250 7.8220 120.5355 64.3386 37.0746 177.8153 636 N 4.2078 8.0038 117.0689 56.7103 38.4798 176.6439 637 N 4.0842 8.4179 117.7510 57.2586 38.7824 176.9611 638 Y 4.0635 8.0422 116.8678 60.7813 37.9412 178.4984 639 T 3.9627 8.0823 117.5086 66.4134 68.5191 176.8543 640 S 4.1100 8.4161 117.6008 61.5800 62.8205 176.4485 641 L 3.9049 7.7084 122.6872 58.3606 41.7065 179.1707 642 I 3.7367 7.6482 119.1891 64.6693 37.0559 178.1899 643 H 4.1847 8.4648 117.2773 58.7722 28.4397 178.0208 644 S 4.1053 8.1314 117.1805 61.5704 62.6973 176.2711 645 L 4.0098 8.1945 121.7416 58.2935 41.3374 180.0249 646 I 3.6946 8.0797 119.6109 64.3731 37.0723 178.0762 647 E 3.9130 8.2119 120.1835 59.2620 29.4176 178.5240 648 E 3.9683 8.6288 119.8866 59.3345 29.7193 178.9784 649 S 4.2281 8.3621 115.4695 61.2265 62.8415 176.6964 650 Q 3.9931 8.2921 121.3388 59.0955 28.4942 178.4473 651 N 4.4540 8.1067 117.4740 56.4251 38.5023 177.3020 652 Q 3.9779 8.1826 120.9907 58.9960 29.0365 178.0587 653 Q 3.9351 8.2368 120.6635 59.2398 29.0842 177.9120 654 E 3.9419 8.2349 119.5906 59.3171 29.4242 179.3365 655 K 3.9077 8.0330 119.3700 59.6976 32.2795 178.4128 656 N 4.3087 8.4760 117.0708 56.4245 38.4631 177.1760 657 E 3.9614 8.4040 119.8679 59.5968 29.5769 179.4739 658 Q 4.0173 8.2843 118.0652 58.9620 28.8044 178.7375 659 E 3.9788 8.4386 119.7423 59.4181 29.5588 178.9253 660 L 3.9803 8.0787 120.3794 58.4552 42.0248 179.1744 661 L 3.9968 8.0123 118.6558 57.6912 41.5961 179.0398 662 E 3.9920 8.4363 119.4236 59.2404 29.5385 178.5828 663 L 4.1572 8.6405 120.7231 58.4052 42.1878 178.5775 664 D 4.4411 8.3310 118.3685 56.3743 40.6322 178.7684 665 K 3.8512 8.3057 121.2358 59.1272 31.9686 178.6856 666 W 4.5949 7.9620 117.2544 59.0238 29.3479 178.3322 667 A 4.5349 8.4601 120.8197 55.0254 18.0634 179.4969 668 S 4.3858 7.9920 111.7181 61.0773 63.8785 175.4562 669 L 5.1533 7.7075 123.3733 54.7438 40.2620 177.0270 670 W 5.1728 8.0407 115.2204 56.1641 31.9904 177.5792 671 N 4.2724 8.8883 117.8795 56.3569 37.5074 176.5797 672 W 4.2299 7.3935 116.1978 58.9079 28.8592 177.2190 673 F 3.8768 8.6123 127.1160 62.3503 39.3785 177.5995 674 N 4.9549 8.6353 118.2895 57.2522 37.6580 179.9680 675 I 4.3716 7.6202 117.5809 60.8812 37.2507 176.3294 676 T 3.9962 7.4819 115.3072 62.6343 67.7696 173.7614 677 N 4.5017 8.3995 123.5706 53.4218 36.9798 174.1393 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 4.57 0.00 2.64 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 0.00 625 D 8.29 4.52 0.00 2.83 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 4.44 0.00 2.92 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 0.00 627 D 8.10 4.52 0.00 2.70 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 0.00 628 K 8.25 4.13 0.00 1.90 1.89 0.00 1.43 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.52 7.81 629 M 8.05 4.19 0.00 2.29 2.37 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.78 0.00 630 E 8.42 3.94 0.00 2.26 2.07 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 2.36 2.43 0.00 631 W 8.14 4.23 0.00 3.61 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 4.32 0.00 3.01 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 0.00 633 R 8.00 3.91 0.00 2.07 1.96 0.00 3.33 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 1.65 1.98 0.00 634 E 8.61 4.32 0.00 2.06 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 2.40 2.40 0.00 635 I 7.82 3.42 1.46 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 -0.36 0.67 0.00 0.00 636 N 8.00 4.21 0.00 2.82 2.84 0.00 0.00 7.11 6.20 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 0.00 637 N 8.42 4.08 0.00 2.79 2.48 0.00 0.00 7.08 7.08 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 0.00 638 Y 8.04 4.06 0.00 2.98 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 0.00 639 T 8.08 3.96 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 1.30 0.00 0.00 640 S 8.42 4.11 0.00 3.94 3.88 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 0.00 641 L 7.71 3.90 0.00 1.66 1.62 0.90 1.03 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 0.00 642 I 7.65 3.74 1.95 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 1.54 0.70 0.83 0.00 0.00 643 H 8.46 4.18 0.00 3.23 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 644 S 8.13 4.11 0.00 4.03 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 0.00 645 L 8.19 4.01 0.00 1.67 1.75 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 646 I 8.08 3.69 2.06 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 1.40 0.84 0.92 0.00 0.00 647 E 8.21 3.91 0.00 2.17 2.12 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 2.31 2.37 0.00 648 E 8.63 3.97 0.00 2.18 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 0.00 2.31 2.35 0.00 649 S 8.36 4.23 0.00 4.02 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 0.00 650 Q 8.29 3.99 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 651 N 8.11 4.45 0.00 2.89 2.87 0.00 0.00 6.72 7.53 0.00 0.00 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 8.18 3.98 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 653 Q 8.24 3.94 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 654 E 8.23 3.94 0.00 2.19 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 2.34 2.60 0.00 655 K 8.03 3.91 0.00 1.96 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 656 N 8.48 4.31 0.00 2.89 2.87 0.00 0.00 7.11 7.22 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 0.00 657 E 8.40 3.96 0.00 2.17 2.01 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 2.34 2.49 0.00 658 Q 8.28 4.02 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 659 E 8.44 3.98 0.00 2.10 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 2.37 2.46 0.00 660 L 8.08 3.98 0.00 1.81 1.91 0.96 0.61 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 0.00 661 L 8.01 4.00 0.00 1.91 1.69 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 662 E 8.44 3.99 0.00 2.32 2.21 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 0.00 2.53 2.88 0.00 663 L 8.64 4.16 0.00 1.94 1.91 0.99 1.28 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 0.00 664 D 8.33 4.44 0.00 2.88 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 0.00 665 K 8.31 3.85 0.00 1.66 1.37 0.00 1.23 0.00 0.00 1.39 0.00 0.00 2.62 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.87 0.22 7.81 666 W 7.96 4.59 0.00 3.47 3.33 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 0.00 0.00 0.00 0.00 667 A 8.46 4.53 1.43 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 0.00 0.00 0.00 668 S 7.99 4.39 0.00 4.20 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 0.00 669 L 7.71 5.15 0.00 2.03 1.82 0.58 1.05 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 8.04 5.17 0.00 3.56 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 8.89 4.27 0.00 2.35 2.53 0.00 0.00 6.96 7.19 0.00 0.00 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 7.39 4.23 0.00 3.24 3.12 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 0.00 0.00 0.00 673 F 8.61 3.88 0.00 2.42 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.95 0.00 2.78 2.79 0.00 0.00 7.05 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 0.00 675 I 7.62 4.37 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.80 0.82 0.00 0.00 676 T 7.48 4.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 677 N 8.40 4.50 0.00 2.82 2.70 0.00 0.00 5.95 7.56 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