NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 591 G 3.9429 8.3393 109.7327 46.0204 0.0000 172.3304 592 S 4.1802 7.7332 111.2998 58.0729 65.2396 173.4338 593 H 4.7003 9.1603 116.1638 55.4661 27.8723 175.2209 594 M 4.8496 7.3576 119.6367 52.1797 36.0132 174.2329 595 P 4.5639 0.0000 0.0000 62.9604 33.1528 175.1100 596 K 5.1292 8.6895 120.2911 55.1396 35.1946 174.9968 597 M 5.4461 9.3387 122.9878 53.6002 36.1224 174.0226 598 E 5.0302 9.4997 123.1589 54.4356 32.2117 175.1333 599 V 4.2289 8.8315 128.3006 62.8829 32.2111 176.0375 600 F 5.0772 8.3559 121.7699 56.6317 39.7089 175.2419 601 Q 4.6145 7.1487 120.0587 53.7224 31.7472 174.5010 602 E 4.1904 8.6792 123.8146 56.9224 30.7677 175.8142 603 Y 4.4422 8.2788 122.0813 56.3311 42.3037 174.8087 604 Y 4.8001 8.0482 125.9707 57.7252 38.5879 176.7261 605 G 2.5732 5.9562 107.1238 45.2820 0.0000 173.4809 606 I 4.7638 6.6793 119.7850 58.3082 39.6519 173.7136 607 P 4.5484 0.0000 0.0000 61.8373 31.9525 174.3724 608 P 4.8422 0.0000 0.0000 60.6737 32.6108 174.2667 609 P 2.9700 0.0000 0.0000 61.1652 31.5197 174.3916 610 P 4.1943 0.0000 0.0000 64.1872 31.4587 176.8183 611 G 3.8292 9.0355 110.0712 45.2821 0.0000 172.8743 612 A 3.6249 7.8267 120.7260 52.6366 16.5602 179.8186 613 F 4.1125 7.5978 114.3649 59.8769 38.4420 175.3090 614 G 3.8514 6.0310 108.3233 43.5068 0.0000 171.1302 615 P 4.6375 0.0000 0.0000 62.4091 32.5571 175.8235 616 F 5.2967 8.8709 117.4431 56.8625 39.3787 174.3762 617 L 4.6269 9.2186 123.6566 53.2416 43.0874 176.0855 618 R 4.6418 8.7145 127.6686 56.6837 31.0087 175.5105 619 L 4.9511 9.4514 125.6334 53.0095 45.7705 175.1808 620 N 5.3850 8.9429 119.4270 50.4537 42.4342 172.4763 621 P 4.5303 0.0000 0.0000 64.5727 31.8389 176.6371 622 G 4.0543 9.1444 112.0906 45.1652 0.0000 173.7097 623 D 4.4723 8.0558 120.1006 54.4818 42.3041 175.4411 624 I 4.6527 8.1853 122.8528 59.7363 39.5271 174.4507 625 V 4.6158 8.8046 128.1094 61.1773 33.6884 174.2312 626 E 4.7726 8.9313 128.3374 55.0029 30.5713 175.9335 627 L 4.6621 8.7500 126.1774 55.2489 42.1387 177.2621 628 T 4.4888 9.0008 112.3280 62.1823 71.9203 174.2936 629 K 4.4961 7.6319 120.9765 54.7593 36.2779 175.2562 630 A 4.5550 8.2267 125.3064 50.7492 22.2208 175.2406 631 E 4.5600 8.6083 119.3696 54.2457 33.6582 176.4720 632 A 4.2581 9.0191 126.4640 55.4281 18.5107 178.6411 633 E 4.2031 8.2963 111.7398 58.3195 30.2646 176.4178 634 H 4.8984 8.2101 117.1914 54.6257 30.3905 174.9509 635 N 4.3025 8.7532 119.8032 54.5672 39.9226 174.5415 636 W 4.8307 8.2669 118.4271 54.5663 31.2083 175.4289 637 W 5.3399 8.4007 124.2125 54.8859 32.5635 174.1040 638 E 4.4664 8.4139 122.8576 54.6549 31.9811 174.9131 639 G 4.3498 8.4369 111.0781 46.1182 0.0000 171.6445 640 R 4.8932 8.7035 120.8867 54.2518 32.1790 174.6576 641 N 4.8261 9.0627 127.1668 53.4115 38.9796 175.4252 642 T 4.1304 8.7215 117.3746 63.3678 68.7071 175.6190 643 A 4.2020 8.4431 125.4383 54.1112 18.7817 178.0362 644 T 4.4597 7.3264 102.1307 59.9763 70.1435 173.3083 645 N 4.1609 8.4508 119.8504 54.7852 38.0295 173.2854 646 E 4.6876 7.5693 113.4869 54.1057 31.9325 175.3803 647 V 4.7886 8.4598 119.3805 60.4805 34.8474 175.7699 648 G 3.9673 7.3193 111.0946 45.9724 0.0000 170.9451 649 W 5.5727 8.5555 119.1365 55.3575 32.0069 175.5279 650 F 5.0744 8.5932 116.6702 54.9833 41.7130 171.4505 651 P 3.5892 0.0000 0.0000 61.7127 31.6420 177.7097 652 C 3.5208 8.1395 120.2402 60.2689 29.3800 174.9642 653 N 4.4895 7.4710 115.9121 54.0419 37.1111 175.4536 654 R 3.6774 7.4848 117.7551 56.3075 30.8053 175.9587 655 V 4.8614 7.0446 110.1530 59.8049 35.7737 173.7205 656 H 5.2770 9.0773 115.3964 53.4747 32.3485 171.0072 657 P 4.6193 0.0000 0.0000 63.3771 31.9009 175.6572 658 Y 4.4762 8.8246 125.6593 57.5578 39.1449 175.9040 659 V 3.7646 8.2437 119.4142 61.3833 32.0740 175.8159 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 591 G 8.34 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 592 S 7.73 4.18 0.00 3.92 3.78 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 0.00 593 H 9.16 4.70 0.00 3.17 3.29 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 594 M 7.36 4.85 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 595 P 0.00 4.56 0.00 2.09 2.14 0.00 3.59 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 1.98 1.87 0.00 596 K 8.69 5.13 0.00 1.95 1.82 0.00 1.82 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.51 7.81 597 M 9.34 5.45 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.75 0.00 598 E 9.50 5.03 0.00 2.16 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 2.35 2.29 0.00 599 V 8.83 4.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.77 0.00 0.00 600 F 8.36 5.08 0.00 2.95 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 7.15 4.61 0.00 1.92 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.05 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 602 E 8.68 4.19 0.00 1.16 1.73 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 2.04 2.04 0.00 603 Y 8.28 4.44 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.80 0.00 2.81 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 0.00 605 G 5.96 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.68 4.76 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.94 0.93 0.00 0.00 607 P 0.00 4.55 0.00 2.41 2.19 0.00 3.95 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.12 0.00 608 P 0.00 4.84 0.00 2.16 2.07 0.00 3.44 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 609 P 0.00 2.97 0.00 1.60 1.02 0.00 3.59 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 610 P 0.00 4.19 0.00 1.98 1.89 0.00 2.97 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 1.79 1.89 0.00 611 G 9.04 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 612 A 7.83 3.62 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 4.11 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 6.03 3.85 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 0.00 0.00 0.00 615 P 0.00 4.64 0.00 2.11 2.20 0.00 3.97 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.03 0.00 616 F 8.87 5.30 0.00 3.53 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 9.22 4.63 0.00 1.91 2.01 0.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 618 R 8.71 4.64 0.00 2.07 1.92 0.00 3.31 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.10 0.00 619 L 9.45 4.95 0.00 1.53 1.39 0.57 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 620 N 8.94 5.39 0.00 2.97 2.72 0.00 0.00 6.84 8.20 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 0.00 621 P 0.00 4.53 0.00 2.06 2.04 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 622 G 9.14 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 623 D 8.06 4.47 0.00 2.64 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 0.00 624 I 8.19 4.65 1.66 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.38 0.64 0.00 0.00 625 V 8.80 4.62 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.64 0.00 0.00 626 E 8.93 4.77 0.00 1.94 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 2.26 0.00 627 L 8.75 4.66 0.00 1.46 1.50 0.58 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 628 T 9.00 4.49 4.17 0.00 0.00 0.00 0.00 0.00 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 7.63 4.50 0.00 1.45 1.80 0.00 1.87 0.00 0.00 2.17 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.46 7.81 630 A 8.23 4.55 0.05 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 0.00 0.00 0.00 0.00 0.00 631 E 8.61 4.56 0.00 2.09 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 0.00 2.28 2.27 0.00 632 A 9.02 4.26 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 0.00 633 E 8.30 4.20 0.00 2.09 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 2.49 2.36 0.00 634 H 8.21 4.90 0.00 3.52 3.49 0.00 5.84 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 0.00 635 N 8.75 4.30 0.00 2.72 2.52 0.00 0.00 6.92 7.68 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 0.00 636 W 8.27 4.83 0.00 3.38 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 5.34 0.00 2.53 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 0.00 638 E 8.41 4.47 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 1.72 1.47 0.00 639 G 8.44 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 0.00 0.00 0.00 0.00 640 R 8.70 4.89 0.00 1.83 1.77 0.00 3.07 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 641 N 9.06 4.83 0.00 2.75 2.68 0.00 0.00 6.53 7.79 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 0.00 642 T 8.72 4.13 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 1.21 0.00 0.00 643 A 8.44 4.20 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.33 4.46 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 1.21 0.00 0.00 645 N 8.45 4.16 0.00 2.81 2.89 0.00 0.00 7.04 7.20 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 0.00 646 E 7.57 4.69 0.00 2.02 1.77 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 2.39 2.32 0.00 647 V 8.46 4.79 2.06 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 0.76 0.00 0.00 0.91 0.00 0.00 648 G 7.32 3.97 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 0.00 0.00 0.00 649 W 8.56 5.57 0.00 3.32 3.48 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 0.00 650 F 8.59 5.07 0.00 2.84 3.23 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 0.00 651 P 0.00 3.59 0.00 1.62 1.16 0.00 2.57 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.00 652 C 8.14 3.52 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 7.47 4.49 0.00 2.74 2.78 0.00 0.00 6.00 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 7.48 3.68 0.00 1.60 1.81 0.00 3.18 0.00 0.00 2.90 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.47 0.00 655 V 7.04 4.86 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 0.52 0.00 0.00 1.24 0.00 0.00 656 H 9.08 5.28 0.00 3.29 3.56 0.00 5.30 0.00 0.00 0.00 0.00 6.70 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 4.62 0.00 1.99 2.10 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 658 Y 8.82 4.48 0.00 2.93 3.09 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 0.00 0.00 0.00 0.00 659 V 8.24 3.76 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.88 0.00 0.00