NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 611 G 3.8416 8.3544 109.7359 45.4108 0.0000 173.4344 612 S 4.1280 8.3017 121.6199 55.3676 60.8477 172.0352 613 I 4.2751 7.5458 119.8982 58.0856 40.1522 173.7631 614 P 4.4853 0.0000 0.0000 61.9190 31.9090 174.9592 615 C 4.0244 8.5721 113.4673 55.6052 37.3915 173.0108 616 L 4.0556 8.5442 125.3820 55.6974 42.2399 175.2026 617 L 5.0792 8.0912 125.6050 52.3783 45.0755 176.9783 618 S 4.4296 8.3957 117.4552 57.2370 63.9151 172.3581 619 P 4.3112 0.0000 0.0000 62.0605 31.8501 176.0098 620 W 4.2729 8.4245 120.0726 56.7700 29.2523 176.6086 621 S 4.5233 8.0970 121.3503 57.8774 63.2503 174.0768 622 E 4.1759 8.6292 119.4450 56.2779 29.9536 177.0339 623 W 4.1752 8.7595 121.7461 56.8747 29.8192 176.5541 624 S 4.5842 8.5028 117.0752 56.9120 63.7058 172.8170 625 D 4.5558 8.3694 119.8487 54.1123 41.4573 176.7682 626 C 4.5280 8.4479 120.8208 56.9041 40.7601 174.7176 627 S 4.3047 8.8887 116.4770 59.5258 62.0351 174.1724 628 V 4.5971 7.2029 116.2077 61.2098 34.3097 175.1949 629 T 4.3488 8.4063 116.6440 64.9784 69.4607 174.0909 630 C 4.8557 7.8657 113.0106 54.9993 45.9809 175.6512 631 G 3.6960 8.8863 110.2450 44.5223 0.0000 172.6766 632 K 4.0912 8.6082 118.2300 57.8374 33.0959 176.3850 633 G 4.0264 8.1010 107.8839 46.8533 0.0000 171.0307 634 M 5.4968 7.8108 118.3459 53.9630 37.1597 174.1440 635 R 5.1955 9.0726 115.9878 55.2160 33.5444 173.9966 636 T 5.6749 8.6208 108.5476 60.8561 72.1684 172.8149 637 R 4.7366 8.6325 117.7346 55.3385 31.8460 173.4595 638 Q 5.5306 8.4509 117.4291 55.3489 33.0216 172.7841 639 R 4.7689 8.5489 114.9165 55.6518 32.8059 173.7580 640 M 4.9514 8.4008 116.8811 53.3421 36.6057 175.2487 641 L 4.4459 8.3560 120.7966 55.4148 41.8374 176.4964 642 K 4.6651 8.2684 118.9892 55.3976 34.2452 178.0254 643 S 4.4871 7.6874 115.1364 57.6931 61.6496 175.2572 644 L 3.9155 7.6631 121.0730 59.4527 40.7688 178.5728 645 A 4.0781 7.9607 118.9342 52.0756 18.5051 176.4342 646 E 3.8073 8.2771 116.0145 56.9654 27.4494 176.4120 647 L 3.8678 8.0214 118.1556 56.7857 41.9910 178.9604 648 G 4.1166 5.8945 107.2183 44.9119 0.0000 174.6188 649 D 4.2142 8.0943 125.5154 53.6794 42.6633 173.3180 650 C 4.9491 8.2802 121.6749 53.7409 43.9245 174.0143 651 N 4.6081 8.5752 117.3595 53.7040 38.1603 175.1806 652 E 4.1269 7.4632 119.5865 56.2081 30.2464 176.1310 653 D 4.7343 8.4729 122.5861 54.2905 41.7819 176.3882 654 L 4.4798 8.5433 120.6041 54.3709 44.5065 175.5672 655 E 5.4425 8.3973 118.3629 54.7745 33.0536 174.4384 656 Q 4.7142 9.1610 122.5386 54.4482 33.6342 173.5216 657 A 5.5160 8.5938 122.4875 50.5489 22.2901 175.0063 658 E 4.6740 9.0648 119.4173 54.3499 33.7610 174.1165 659 K 4.5841 8.3508 123.8217 56.4298 34.0870 175.7767 660 C 4.5268 8.6603 119.1591 55.1518 43.1433 172.6741 661 M 4.6031 8.3795 124.7369 54.5299 32.8451 176.4698 662 L 4.5494 8.3832 123.9803 52.8801 43.9290 174.4448 663 P 4.6843 0.0000 0.0000 62.2148 33.0130 175.3576 664 E 4.3995 8.6325 117.2991 56.5761 30.2276 177.6665 665 C 4.4330 8.6085 119.0890 56.1866 40.8828 172.2397 666 P 4.4137 0.0000 0.0000 63.0426 30.9703 176.1050 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 611 G 8.35 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 0.00 612 S 8.30 4.13 0.00 3.92 3.82 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 0.00 0.00 0.00 0.00 613 I 7.55 4.28 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.74 0.91 0.00 0.00 614 P 0.00 4.49 0.00 2.19 2.11 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 615 C 8.57 4.02 0.00 3.06 3.14 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 0.00 0.00 0.00 616 L 8.54 4.06 0.00 1.69 1.60 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 617 L 8.09 5.08 0.00 1.35 1.25 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 618 S 8.40 4.43 0.00 3.79 3.77 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 0.00 619 P 0.00 4.31 0.00 2.20 2.07 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 620 W 8.42 4.27 0.00 3.04 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 0.00 621 S 8.10 4.52 0.00 3.81 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 4.18 0.00 2.05 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 2.30 2.40 0.00 623 W 8.76 4.18 0.00 3.28 3.16 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 0.00 0.00 0.00 0.00 624 S 8.50 4.58 0.00 3.90 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 0.00 625 D 8.37 4.56 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.45 4.53 0.00 3.01 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 0.00 627 S 8.89 4.30 0.00 3.87 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.20 4.60 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 0.83 0.00 0.00 1.01 0.00 0.00 629 T 8.41 4.35 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 0.00 630 C 7.87 4.86 0.00 3.12 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 0.00 631 G 8.89 3.70 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 0.00 0.00 0.00 632 K 8.61 4.09 0.00 1.75 1.84 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.41 7.81 633 G 8.10 4.03 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 0.00 0.00 0.00 634 M 7.81 5.50 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 635 R 9.07 5.20 0.00 1.95 1.93 0.00 2.21 0.00 0.00 2.61 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.07 0.00 636 T 8.62 5.67 4.33 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 1.30 0.00 0.00 637 R 8.63 4.74 0.00 1.50 1.44 0.00 2.28 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.66 0.00 638 Q 8.45 5.53 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 639 R 8.55 4.77 0.00 1.43 1.60 0.00 2.45 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 640 M 8.40 4.95 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 641 L 8.36 4.45 0.00 1.58 1.59 0.88 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 642 K 8.27 4.67 0.00 1.57 1.74 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.44 7.81 643 S 7.69 4.49 0.00 3.97 4.01 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 0.00 644 L 7.66 3.92 0.00 1.76 1.83 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 645 A 7.96 4.08 1.28 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 0.00 0.00 646 E 8.28 3.81 0.00 2.17 1.97 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 2.22 2.38 0.00 647 L 8.02 3.87 0.00 1.71 1.80 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 648 G 5.89 4.12 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 0.00 0.00 0.00 649 D 8.09 4.21 0.00 2.56 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 0.00 650 C 8.28 4.95 0.00 3.11 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 0.00 651 N 8.58 4.61 0.00 2.74 2.90 0.00 0.00 6.90 7.67 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 0.00 652 E 7.46 4.13 0.00 1.89 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 2.30 2.33 0.00 653 D 8.47 4.73 0.00 3.06 2.84 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 0.00 654 L 8.54 4.48 0.00 1.55 1.72 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 655 E 8.40 5.44 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.52 0.00 656 Q 9.16 4.71 0.00 0.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.41 0.00 0.00 0.00 0.00 0.00 2.13 1.75 0.00 657 A 8.59 5.52 1.24 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 0.00 0.00 0.00 658 E 9.06 4.67 0.00 1.53 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 1.47 1.82 0.00 659 K 8.35 4.58 0.00 1.73 1.72 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.33 7.81 660 C 8.66 4.53 0.00 2.84 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 0.00 661 M 8.38 4.60 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 662 L 8.38 4.55 0.00 1.52 1.66 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 663 P 0.00 4.68 0.00 2.10 2.21 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 664 E 8.63 4.40 0.00 1.98 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 2.27 2.29 0.00 665 C 8.61 4.43 0.00 2.98 3.07 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 0.00 666 P 0.00 4.41 0.00 2.17 2.03 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00