NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 596 K 4.5849 8.1733 120.0929 56.6188 34.1145 174.2892 597 M 5.0301 8.9315 124.3307 52.6653 35.6454 171.0842 598 E 5.0127 9.4428 122.9770 54.3031 33.0999 174.8552 599 V 4.0574 8.6542 127.5145 62.9214 32.1723 176.1022 600 F 4.8757 8.6489 121.9377 56.7722 39.8687 175.3974 601 Q 4.5829 7.1395 120.1331 53.5178 31.4059 174.7425 602 E 4.3507 8.8727 124.1660 57.2708 30.7419 176.0286 603 Y 4.5240 9.0536 122.7136 56.2199 42.1951 174.7233 604 Y 4.7859 7.1032 127.3562 56.4906 38.6962 176.6023 605 G 2.5054 5.6878 107.8568 46.3464 0.0000 173.3553 606 I 4.3246 6.2166 119.9822 58.4049 39.0946 173.7125 607 P 4.5675 0.0000 0.0000 61.3962 32.1650 174.3716 608 P 4.7881 0.0000 0.0000 61.0263 32.1381 174.4210 609 P 2.9700 0.0000 0.0000 61.2500 31.8940 174.9632 610 P 3.9416 0.0000 0.0000 63.3549 31.2347 178.9072 611 G 3.0349 6.8328 103.4853 46.8061 0.0000 175.3901 612 A 3.9269 7.2794 126.1372 52.7458 19.3940 178.3831 613 F 3.7681 7.2875 115.3513 56.6843 39.8095 178.0002 614 G 4.1545 7.5508 112.6064 44.8964 0.0000 171.2839 615 P 4.7272 0.0000 0.0000 62.5244 32.5591 176.4442 616 F 5.3672 9.0014 118.1433 56.9559 39.2952 174.0505 617 L 4.7018 9.1587 122.6919 53.2343 43.6386 175.9080 618 R 4.6712 8.6885 127.2543 56.4145 30.9730 175.3375 619 L 4.9031 9.4871 125.9353 53.0327 45.5622 175.1654 620 N 5.2867 9.2730 120.4108 50.4586 41.7592 172.7603 621 P 4.4262 0.0000 0.0000 64.4913 31.8491 176.6234 622 G 4.0683 9.2933 112.1626 44.7599 0.0000 173.7329 623 D 4.4365 8.1165 120.1692 54.5812 42.2405 175.4569 624 I 4.4971 8.1109 122.8548 59.8290 39.3613 174.5577 625 V 4.7460 8.7693 127.3009 61.1130 34.2941 173.9473 626 E 4.8650 8.9575 127.6133 54.7224 31.0771 175.5374 627 L 4.6415 8.6261 125.4373 55.1343 42.0468 176.8329 628 T 4.4679 8.9057 112.6341 62.3299 71.9596 174.4006 629 K 4.5639 7.5285 120.5556 54.5239 36.5748 175.7609 630 A 4.4051 8.4346 127.0948 51.3859 20.6042 174.9796 631 E 4.6649 8.8342 120.8251 54.9572 32.2713 177.6861 632 A 4.1142 8.6393 124.7417 55.2213 18.5912 178.7981 633 E 4.2499 8.1486 111.4965 57.6721 30.3624 176.1557 634 H 5.1973 7.7034 117.0356 54.1232 31.4225 173.7473 635 N 4.4873 9.0018 120.3927 54.5828 39.4000 174.0264 636 W 4.6099 8.0511 116.8985 54.9429 31.9364 174.8306 637 W 5.0977 8.0620 122.6939 54.8183 32.6352 173.9191 638 E 4.3704 8.1655 122.1096 54.4462 32.2647 174.9135 639 G 4.3720 8.1597 110.6633 46.3611 0.0000 171.5382 640 R 5.0443 8.7212 120.7219 54.2993 32.2638 174.5960 641 N 4.8590 8.9975 126.4745 53.3940 39.2416 175.4552 642 T 4.1229 8.7042 117.4622 63.4750 68.6603 175.6043 643 A 4.1992 8.3830 125.6051 54.0759 18.8123 178.1210 644 T 4.4117 7.4651 102.4063 60.3968 70.3288 174.6231 645 N 4.3389 8.6292 118.3891 53.5745 37.1551 174.0467 646 E 4.3440 7.6749 118.8597 56.0539 30.9713 175.8423 647 V 4.7612 8.2818 121.7945 60.9191 34.6993 175.1545 648 G 4.0741 7.8942 111.5706 46.6891 0.0000 171.3676 649 W 5.5001 8.8150 119.8030 55.6272 31.7394 175.8231 650 F 4.8287 8.3693 115.8632 55.0617 41.3796 171.8241 651 P 2.9700 0.0000 0.0000 61.4744 31.6085 177.6105 652 C 3.1995 7.6254 118.5349 60.5877 29.2194 175.1061 653 N 4.6170 7.4814 114.7243 53.4705 36.8172 175.3642 654 R 3.6796 7.4870 116.7140 56.0319 31.0696 175.7184 655 V 5.0744 7.2803 110.6635 60.0904 35.7534 173.7080 656 H 5.1099 8.9300 115.3734 53.7621 32.2879 171.1165 657 P 4.6927 0.0000 0.0000 63.4063 31.7401 175.5827 658 Y 4.4442 8.8571 126.6637 57.2450 39.2101 174.8984 659 V 3.8752 8.1370 126.8192 61.0415 33.7571 174.7781 660 H 4.3518 7.8516 121.6136 55.5638 28.6255 174.6918 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 596 K 8.17 4.58 0.00 1.88 1.99 0.00 1.49 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.53 1.58 7.81 597 M 8.93 5.03 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.84 0.00 598 E 9.44 5.01 0.00 2.14 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 599 V 8.65 4.06 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 0.83 0.00 0.00 0.82 0.00 0.00 600 F 8.65 4.88 0.00 2.97 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 0.00 601 Q 7.14 4.58 0.00 1.52 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.03 0.00 0.00 0.00 0.00 0.00 2.09 2.25 0.00 602 E 8.87 4.35 0.00 2.10 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 2.31 2.39 0.00 603 Y 9.05 4.52 0.00 2.90 2.79 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 0.00 604 Y 7.10 4.79 0.00 2.95 2.93 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 0.00 605 G 5.69 2.51 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 0.00 0.00 0.00 606 I 6.22 4.32 1.62 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.12 0.91 0.00 0.00 607 P 0.00 4.57 0.00 2.31 2.13 0.00 3.92 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.12 0.00 608 P 0.00 4.79 0.00 2.20 2.12 0.00 3.41 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 609 P 0.00 2.97 0.00 1.97 1.87 0.00 3.82 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 610 P 0.00 3.94 0.00 1.92 1.76 0.00 2.67 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 611 G 6.83 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 0.00 0.00 0.00 612 A 7.28 3.93 0.95 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 0.00 0.00 0.00 0.00 0.00 613 F 7.29 3.77 0.00 2.65 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 0.00 0.00 0.00 614 G 7.55 4.15 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 0.00 0.00 0.00 615 P 0.00 4.73 0.00 2.16 2.01 0.00 3.86 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 616 F 9.00 5.37 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 0.00 617 L 9.16 4.70 0.00 1.79 1.93 0.97 0.98 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 0.00 618 R 8.69 4.67 0.00 2.08 1.89 0.00 3.30 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 619 L 9.49 4.90 0.00 1.57 1.42 0.50 0.25 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 0.00 620 N 9.27 5.29 0.00 3.03 2.69 0.00 0.00 6.77 7.95 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 0.00 621 P 0.00 4.43 0.00 2.06 2.04 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 622 G 9.29 4.07 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 0.00 0.00 0.00 623 D 8.12 4.44 0.00 2.63 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 0.00 624 I 8.11 4.50 1.65 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.21 0.75 0.00 0.00 625 V 8.77 4.75 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 0.92 0.00 0.00 0.65 0.00 0.00 626 E 8.96 4.87 0.00 1.92 1.84 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 2.24 2.25 0.00 627 L 8.63 4.64 0.00 1.44 1.47 0.59 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 628 T 8.91 4.47 4.16 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 1.17 0.00 0.00 629 K 7.53 4.56 0.00 1.34 1.75 0.00 1.81 0.00 0.00 2.08 0.00 0.00 2.94 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.42 1.44 7.81 630 A 8.43 4.41 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.83 4.66 0.00 2.20 2.11 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 2.43 2.35 0.00 632 A 8.64 4.11 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 0.00 633 E 8.15 4.25 0.00 2.07 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 1.84 2.13 0.00 634 H 7.70 5.20 0.00 3.41 3.54 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 635 N 9.00 4.49 0.00 2.89 3.03 0.00 0.00 6.95 7.95 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 0.00 636 W 8.05 4.61 0.00 2.24 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 0.00 637 W 8.06 5.10 0.00 2.23 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 4.37 0.00 1.16 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 1.70 1.47 0.00 639 G 8.16 4.37 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 0.00 640 R 8.72 5.04 0.00 1.82 1.89 0.00 3.08 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 641 N 9.00 4.86 0.00 2.76 2.67 0.00 0.00 6.53 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 0.00 642 T 8.70 4.12 4.20 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 0.00 0.00 0.00 1.20 0.00 0.00 643 A 8.38 4.20 1.31 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 0.00 0.00 0.00 644 T 7.47 4.41 4.23 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 0.00 0.00 1.20 0.00 0.00 645 N 8.63 4.34 0.00 2.86 3.00 0.00 0.00 7.00 7.30 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 0.00 646 E 7.67 4.34 0.00 1.86 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 2.41 0.00 647 V 8.28 4.76 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 0.79 0.00 0.00 0.92 0.00 0.00 648 G 7.89 4.07 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 0.00 0.00 0.00 649 W 8.81 5.50 0.00 3.54 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 0.00 650 F 8.37 4.83 0.00 2.71 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 0.00 651 P 0.00 2.97 0.00 1.63 0.78 0.00 2.61 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.56 0.00 652 C 7.63 3.20 0.00 1.23 1.18 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 0.00 653 N 7.48 4.62 0.00 2.75 2.77 0.00 0.00 5.91 7.66 0.00 0.00 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 R 7.49 3.68 0.00 1.53 1.74 0.00 3.20 0.00 0.00 2.87 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.29 0.00 655 V 7.28 5.07 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 0.52 0.00 0.00 1.25 0.00 0.00 656 H 8.93 5.11 0.00 3.24 3.41 0.00 5.28 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 657 P 0.00 4.69 0.00 1.96 2.08 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 658 Y 8.86 4.44 0.00 2.87 3.04 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 0.00 659 V 8.14 3.88 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 0.76 0.00 0.00 0.82 0.00 0.00 660 H 7.85 4.35 0.00 3.19 2.97 0.00 5.81 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