NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 588 S 4.4845 8.1933 116.7949 58.2701 64.7204 175.6551 589 E 3.8185 8.2021 122.2506 59.3347 29.4215 177.3272 590 M 4.0718 8.7598 119.6994 58.3775 32.5702 178.0747 591 E 3.9624 8.1472 118.2615 59.4122 29.5784 179.2992 592 L 3.9847 8.0687 119.0096 57.7219 41.7011 179.2232 593 E 3.9053 8.3697 119.3197 59.2490 29.5271 178.6651 594 I 3.6788 8.0157 120.2381 64.5347 37.1559 177.9031 595 D 4.2753 8.0944 118.5677 57.4090 41.1380 178.3803 596 R 3.9201 8.1786 118.7522 59.4288 29.9950 178.8439 597 N 4.3569 8.7318 116.4570 56.3666 38.4796 177.5222 598 L 3.9799 8.1860 120.5860 57.7269 41.7385 179.0868 599 D 4.2993 8.3098 118.1412 57.4980 41.1991 178.3996 600 Q 4.0374 8.2514 118.5943 58.8652 28.7075 178.6595 601 I 3.7268 8.1075 121.3374 64.3741 37.1540 178.2155 602 Q 4.0342 8.3414 120.5966 59.2181 28.6788 178.4281 603 Q 3.9856 8.0265 118.9686 58.8811 28.7149 178.8764 604 V 3.5864 7.8440 119.2557 66.0452 31.6293 177.8327 605 S 4.0822 8.5925 113.2676 61.4835 62.2608 175.6244 606 N 4.2925 8.2385 119.5604 56.9385 38.6407 177.1252 607 R 3.9983 7.8020 119.3733 58.9761 30.0387 178.9174 608 L 3.9836 8.2419 119.4339 57.5970 41.5971 179.4972 609 K 3.9116 8.1549 119.4043 59.5214 32.1681 178.9659 610 K 3.9562 7.8925 118.3301 59.7988 31.8692 179.2771 611 M 4.0370 8.5098 119.0937 58.2305 31.8715 178.6100 612 A 3.9886 8.2428 121.1297 55.1513 18.5795 179.7242 613 L 3.9235 8.0564 117.4150 58.3798 41.7016 179.9261 614 T 3.9074 8.0944 115.7081 66.8623 68.2526 176.8841 615 T 3.9624 8.3746 118.2658 66.4808 68.3775 176.8773 616 G 3.6165 8.1067 107.6384 47.8847 0.0000 175.9125 617 K 3.9899 8.1767 121.1375 59.0358 31.9449 179.1565 618 E 3.9478 8.4335 119.8331 59.1286 29.5658 178.8240 619 L 3.9784 8.1736 119.2800 57.8054 41.5293 179.1105 620 D 4.3597 8.4013 119.1728 57.4347 40.7884 178.8186 621 S 4.0881 8.2051 113.5063 61.6666 62.3372 176.3220 622 Q 4.0336 8.3304 120.8050 58.8509 28.3852 178.5364 623 Q 3.9485 8.2607 120.8337 59.0000 29.0617 178.3923 624 K 3.9868 7.8652 119.6445 59.5312 32.0087 179.5071 625 R 3.9345 7.9628 118.2768 59.3179 29.8977 179.1696 626 L 3.9925 8.2804 119.0563 57.6235 41.5153 179.1615 627 N 4.3007 8.2149 116.5426 56.5571 38.5610 177.1077 628 N 4.3325 8.1259 117.6300 56.3828 38.5402 177.5822 629 I 3.7319 8.0645 121.4582 64.4829 37.2085 178.4371 630 E 3.9506 8.4862 119.7213 59.1300 29.3921 178.7938 631 E 3.9277 8.3375 119.5300 59.6508 29.6220 179.2708 632 S 4.1704 8.1642 114.9503 61.7729 62.9090 176.7867 633 T 3.8629 8.1808 118.7073 66.7454 68.0896 176.4111 634 D 4.3728 8.2258 120.7911 57.3338 40.7571 178.4015 635 D 4.3017 7.9883 118.0142 57.4553 41.3104 178.3164 636 L 3.9706 8.1450 119.6039 57.5898 41.5663 179.0201 637 D 4.3270 8.1788 118.0674 57.4183 41.2428 178.3724 638 I 3.7182 7.5098 119.9235 64.6178 37.1670 178.3163 639 N 4.3867 8.3888 117.3857 56.2499 38.3027 177.5880 640 L 3.9894 8.4280 120.8086 58.2021 41.6905 179.3729 641 H 4.1809 8.1246 115.6747 58.8643 28.5037 177.7948 642 M 4.0724 8.1694 120.6151 58.6114 31.7943 178.6071 643 N 4.3456 8.2154 116.5536 56.4830 38.6907 177.6760 644 T 3.8564 8.1697 117.4045 66.7821 68.3379 176.4725 645 N 4.3917 8.1159 117.1883 56.3072 38.6890 177.4101 646 R 4.0790 8.3031 119.7655 59.3001 30.1899 179.1265 647 L 4.0041 8.2150 118.6609 57.6804 41.3500 179.3920 648 A 4.1662 8.0083 120.1548 54.8109 18.3856 179.0927 649 G 3.7718 7.6163 101.6108 45.7721 0.0000 173.8882 650 I 4.0541 7.5254 126.9983 61.3826 37.3104 175.4660 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 588 S 8.19 4.48 0.00 3.90 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 0.00 589 E 8.20 3.82 0.00 2.05 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 2.40 2.40 0.00 590 M 8.76 4.07 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 591 E 8.15 3.96 0.00 2.13 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 2.40 2.35 0.00 592 L 8.07 3.98 0.00 1.88 1.71 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 593 E 8.37 3.91 0.00 2.03 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 2.35 0.00 594 I 8.02 3.68 2.01 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 1.41 0.57 0.91 0.00 0.00 595 D 8.09 4.28 0.00 2.88 2.82 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 0.00 596 R 8.18 3.92 0.00 2.03 1.96 0.00 3.18 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 1.88 0.00 597 N 8.73 4.36 0.00 2.86 2.86 0.00 0.00 7.08 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 598 L 8.19 3.98 0.00 1.87 1.72 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 599 D 8.31 4.30 0.00 2.87 2.82 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 0.00 600 Q 8.25 4.04 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 601 I 8.11 3.73 2.01 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 1.41 0.71 0.91 0.00 0.00 602 Q 8.34 4.03 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 603 Q 8.03 3.99 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 604 V 7.84 3.59 2.19 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 1.06 0.00 0.00 0.97 0.00 0.00 605 S 8.59 4.08 0.00 3.90 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 606 N 8.24 4.29 0.00 2.96 2.97 0.00 0.00 7.24 6.94 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 0.00 607 R 7.80 4.00 0.00 2.00 1.96 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 608 L 8.24 3.98 0.00 1.83 1.72 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 609 K 8.15 3.91 0.00 1.83 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 610 K 7.89 3.96 0.00 2.01 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.63 7.81 611 M 8.51 4.04 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 612 A 8.24 3.99 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 0.00 613 L 8.06 3.92 0.00 1.84 1.73 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 614 T 8.09 3.91 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 0.00 615 T 8.37 3.96 4.42 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 0.00 0.00 0.00 1.21 0.00 0.00 616 G 8.11 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 3.99 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 618 E 8.43 3.95 0.00 2.16 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 2.30 2.39 0.00 619 L 8.17 3.98 0.00 1.88 1.70 0.92 1.05 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 0.00 620 D 8.40 4.36 0.00 2.85 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 0.00 621 S 8.21 4.09 0.00 3.89 4.02 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 0.00 622 Q 8.33 4.03 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 623 Q 8.26 3.95 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 624 K 7.87 3.99 0.00 1.98 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.63 7.81 625 R 7.96 3.93 0.00 2.05 1.98 0.00 3.13 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 1.65 1.97 0.00 626 L 8.28 3.99 0.00 1.81 1.71 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 627 N 8.21 4.30 0.00 2.97 2.87 0.00 0.00 6.99 6.46 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 0.00 628 N 8.13 4.33 0.00 2.93 2.86 0.00 0.00 7.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 629 I 8.06 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 0.00 630 E 8.49 3.95 0.00 2.07 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 2.45 0.00 631 E 8.34 3.93 0.00 2.07 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 2.31 2.41 0.00 632 S 8.16 4.17 0.00 4.05 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 0.00 633 T 8.18 3.86 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 1.22 0.00 0.00 634 D 8.23 4.37 0.00 2.83 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 0.00 635 D 7.99 4.30 0.00 2.96 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 0.00 636 L 8.14 3.97 0.00 1.94 1.70 0.95 0.89 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 0.00 637 D 8.18 4.33 0.00 2.91 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 0.00 638 I 7.51 3.72 2.02 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 1.53 0.86 0.92 0.00 0.00 639 N 8.39 4.39 0.00 2.80 2.86 0.00 0.00 7.11 7.12 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 0.00 640 L 8.43 3.99 0.00 1.67 1.63 0.92 1.10 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 0.00 641 H 8.12 4.18 0.00 3.30 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 642 M 8.17 4.07 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 3.00 0.00 643 N 8.22 4.35 0.00 2.74 2.86 0.00 0.00 7.09 6.91 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 0.00 644 T 8.17 3.86 4.36 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 1.21 0.00 0.00 645 N 8.12 4.39 0.00 2.89 2.89 0.00 0.00 7.12 7.24 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 0.00 646 R 8.30 4.08 0.00 1.99 1.98 0.00 3.13 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 1.65 1.88 0.00 647 L 8.22 4.00 0.00 1.91 1.71 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 648 A 8.01 4.17 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 0.00 649 G 7.62 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 0.00 0.00 0.00 650 I 7.53 4.05 1.98 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 1.16 0.81 0.91 0.00 0.00