NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 674 A 4.3330 8.2493 123.5873 52.4086 20.8618 178.1247 675 T 4.0665 7.5507 105.9005 61.0405 70.9664 173.5912 676 T 3.8643 8.7596 119.3594 67.0242 68.8107 177.3016 677 F 3.9063 8.4064 121.4538 61.5427 39.3654 176.9406 678 A 3.9993 8.2539 120.0896 55.1193 18.1877 179.7401 679 R 3.8491 8.5518 116.9452 59.5382 30.0899 179.3575 680 L 3.9622 8.2258 119.0846 57.7745 41.5414 179.2602 681 C 3.8897 7.9448 117.0596 62.7679 27.9445 176.0485 682 Q 3.9090 8.0039 121.0424 59.1215 28.6028 178.0567 683 Q 3.9307 7.9963 119.0737 59.1363 28.7299 179.0779 684 V 3.5288 7.9939 119.4536 65.9684 31.4849 177.5927 685 D 4.2711 8.0248 117.8547 57.5439 41.0504 178.1558 686 M 4.0808 8.2720 119.4553 58.7044 31.8919 178.9190 687 T 3.8756 8.1428 116.0553 66.5681 68.5227 176.7489 688 Q 3.9750 8.3437 120.2061 58.9469 28.8149 178.9293 689 K 3.8923 8.0744 119.3534 59.8369 32.0674 178.7919 690 H 4.1446 8.4062 118.3426 59.2532 29.7728 177.2577 691 L 3.9300 8.1580 120.8275 57.8213 41.4607 179.2029 692 E 3.9515 8.3385 118.6046 59.6444 29.3569 179.4325 693 E 3.9520 8.2110 118.3543 59.2627 29.4258 179.1238 694 E 3.8927 8.2308 118.7134 59.7229 29.7216 179.6253 695 I 3.6680 8.1930 119.7731 64.1338 37.2002 178.5353 696 A 3.9558 8.0600 121.7791 55.1239 18.1966 179.6692 697 R 3.8361 8.2669 117.6446 59.6278 30.0875 178.7506 698 L 4.1450 8.1682 118.9483 57.8401 41.5744 179.7251 699 S 4.0955 7.9968 114.9572 61.2683 62.6707 176.6121 700 K 3.9135 7.9234 121.9134 59.7087 31.9974 178.6754 701 E 3.9474 8.4454 119.1120 59.5471 29.2883 179.5580 702 I 3.7283 7.9873 120.0826 64.3033 37.1582 178.2049 703 D 4.3376 8.1774 119.7319 57.5419 40.7116 178.7899 704 Q 4.0220 8.2950 118.6925 59.1166 28.7168 179.0952 705 L 4.0422 8.1788 120.0098 57.4585 41.5188 179.1278 706 E 3.9129 8.3759 119.5977 59.0061 29.5057 178.7520 707 K 3.8969 8.1089 119.5870 59.9774 32.3192 178.6805 708 M 4.0482 8.1272 118.8597 58.3649 31.7855 178.6534 709 Q 3.9558 8.0864 119.8315 59.1793 29.2912 177.8515 710 N 4.3536 8.4756 117.8904 56.4056 38.5507 177.1759 711 N 4.3653 8.5407 118.2820 56.4722 38.5321 177.7222 712 S 4.1667 8.0516 116.6023 61.4157 62.8788 176.8825 713 K 3.9988 8.1066 121.4060 58.9247 31.6268 179.2304 714 L 3.8951 7.7715 120.7646 58.1937 42.0712 178.9527 715 L 3.9606 7.9870 118.9099 57.9036 41.5703 179.6122 716 R 3.8887 8.3246 118.8888 59.5002 30.0140 178.3637 717 N 4.3735 8.6081 116.8432 55.8540 38.4780 177.2771 718 K 3.8708 8.3934 121.2201 59.6098 32.3871 178.5899 719 A 4.0373 8.1251 121.0326 55.3205 18.2410 179.8173 720 V 3.5645 7.7798 116.7193 65.9047 31.5468 178.1168 721 Q 3.9239 8.1998 119.4061 59.1886 28.9745 177.8276 722 L 3.9252 8.3102 121.7826 58.3188 42.0338 178.6406 723 E 3.9742 8.2839 119.4489 59.1421 29.7346 178.8180 724 S 4.2858 8.2337 114.1199 60.9647 63.1600 176.3642 725 E 4.0392 8.3073 122.8946 59.0482 29.1190 178.6761 726 L 4.0153 8.1304 120.7834 58.2830 42.1263 179.0087 727 E 4.0643 8.2683 117.3886 59.4404 29.4444 178.8915 728 N 4.4098 8.1177 117.2253 55.9496 38.5167 177.1276 729 F 4.2447 8.5832 122.2822 61.4120 39.5154 177.1982 730 S 4.2174 8.7679 113.4564 61.2805 62.0461 176.2409 731 K 4.0422 8.3278 120.7915 59.5566 32.2524 178.5659 732 Q 3.9044 7.6293 119.7577 58.2992 29.2831 176.9488 733 F 4.5136 8.0244 115.8589 57.4296 39.6270 176.2430 734 L 4.7920 8.3028 116.6590 54.3932 43.2359 176.2389 735 H 4.4048 8.0067 121.1397 55.9445 29.6555 173.0849 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 674 A 8.25 4.33 1.33 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 0.00 0.00 675 T 7.55 4.07 4.32 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 1.25 0.00 0.00 676 T 8.76 3.86 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 677 F 8.41 3.91 0.00 3.18 3.11 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 0.00 0.00 0.00 0.00 678 A 8.25 4.00 1.44 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 0.00 0.00 679 R 8.55 3.85 0.00 1.97 1.98 0.00 3.14 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 1.84 0.00 680 L 8.23 3.96 0.00 1.67 1.56 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 681 C 7.94 3.89 0.00 2.95 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 0.00 682 Q 8.00 3.91 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 683 Q 8.00 3.93 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 684 V 7.99 3.53 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.91 0.00 0.00 685 D 8.02 4.27 0.00 3.00 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 0.00 686 M 8.27 4.08 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 687 T 8.14 3.88 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 688 Q 8.34 3.97 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 689 K 8.07 3.89 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.61 7.81 690 H 8.41 4.14 0.00 3.16 3.43 0.00 5.59 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 0.00 691 L 8.16 3.93 0.00 1.85 1.70 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 692 E 8.34 3.95 0.00 2.16 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 2.50 0.00 693 E 8.21 3.95 0.00 2.11 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 2.32 2.46 0.00 694 E 8.23 3.89 0.00 2.10 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 0.00 2.25 2.33 0.00 695 I 8.19 3.67 1.98 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 1.44 1.34 0.90 0.00 0.00 696 A 8.06 3.96 1.37 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 0.00 0.00 697 R 8.27 3.84 0.00 1.93 2.03 0.00 3.09 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 698 L 8.17 4.14 0.00 1.78 1.69 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 699 S 8.00 4.10 0.00 4.06 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 0.00 700 K 7.92 3.91 0.00 1.85 1.97 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 701 E 8.45 3.95 0.00 2.22 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 2.47 0.00 702 I 7.99 3.73 2.07 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.91 0.00 0.00 703 D 8.18 4.34 0.00 2.93 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 0.00 704 Q 8.30 4.02 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 705 L 8.18 4.04 0.00 1.83 1.71 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 706 E 8.38 3.91 0.00 2.27 1.94 0.00 0.00 0.00 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 2.46 0.00 707 K 8.11 3.90 0.00 1.96 1.98 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 708 M 8.13 4.05 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.55 0.00 709 Q 8.09 3.96 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 710 N 8.48 4.35 0.00 2.91 2.85 0.00 0.00 7.05 7.43 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 0.00 711 N 8.54 4.37 0.00 2.87 2.86 0.00 0.00 7.04 7.42 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 0.00 712 S 8.05 4.17 0.00 4.03 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 0.00 713 K 8.11 4.00 0.00 2.00 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.64 7.81 714 L 7.77 3.90 0.00 2.02 1.75 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 715 L 7.99 3.96 0.00 1.86 1.70 0.92 0.71 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 0.00 716 R 8.32 3.89 0.00 1.90 2.16 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 717 N 8.61 4.37 0.00 2.96 2.85 0.00 0.00 6.64 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 718 K 8.39 3.87 0.00 1.94 1.96 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 719 A 8.13 4.04 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 0.00 720 V 7.78 3.56 2.20 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 0.99 0.00 0.00 0.97 0.00 0.00 721 Q 8.20 3.92 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.54 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 722 L 8.31 3.93 0.00 2.05 1.65 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 723 E 8.28 3.97 0.00 2.20 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 2.32 2.32 0.00 724 S 8.23 4.29 0.00 4.12 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 0.00 725 E 8.31 4.04 0.00 2.30 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 2.37 2.34 0.00 726 L 8.13 4.02 0.00 2.01 1.77 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 727 E 8.27 4.06 0.00 2.28 2.23 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 2.52 2.37 0.00 728 N 8.12 4.41 0.00 3.04 2.97 0.00 0.00 6.55 7.50 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 0.00 729 F 8.58 4.24 0.00 3.31 3.38 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 0.00 730 S 8.77 4.22 0.00 4.09 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 0.00 731 K 8.33 4.04 0.00 1.85 1.98 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.63 1.43 7.81 732 Q 7.63 3.90 0.00 1.85 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 1.22 1.94 0.00 733 F 8.02 4.51 0.00 2.48 2.85 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 0.00 0.00 0.00 734 L 8.30 4.79 0.00 1.75 1.66 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 735 H 8.01 4.40 0.00 3.21 3.14 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00