NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 571 E 4.1579 8.4444 121.4700 57.3503 29.9732 173.9299 572 L 4.2830 8.4936 131.5784 54.9125 41.3396 174.9213 573 D 4.4025 8.7380 119.4211 57.3193 41.6299 178.0135 574 D 4.3084 8.0565 118.8245 57.3063 40.9432 178.3749 575 A 4.0179 7.9732 120.7788 55.1724 18.3479 179.5887 576 L 3.9450 7.9437 117.4116 58.0506 41.7177 179.2310 577 D 4.3635 8.0728 118.8752 57.4569 40.7686 178.5764 578 E 4.0151 8.1616 119.6111 58.7966 29.4689 178.6372 579 L 3.9865 7.8633 118.4746 57.6992 41.9938 179.0583 580 S 4.2312 8.2127 113.0586 61.6749 62.2733 176.0109 581 D 4.4375 8.2983 121.7334 57.2158 40.3011 178.6583 582 S 4.2678 7.7634 112.8973 60.4752 63.1803 175.9207 583 L 4.1716 7.7028 122.2338 55.0953 41.6290 177.6708 584 G 3.9747 7.6809 104.7292 45.0408 0.0000 172.1300 585 Q 4.5444 8.0295 115.9955 54.0365 30.3352 175.7758 586 R 4.1468 8.3086 121.3722 56.3206 31.5143 176.4140 587 Q 3.6533 8.2288 118.1295 54.9557 27.2425 170.2535 588 P 4.6069 0.0000 0.0000 62.2175 33.4232 172.8052 *595 P 4.2216 0.0000 0.0000 62.9851 32.4467 175.2775 596 L 4.8297 8.1338 118.2737 53.2053 44.5785 176.1012 597 D 4.7729 8.1913 120.3318 52.3396 42.8001 176.1312 598 D 4.3615 8.4148 120.5256 54.6949 40.9046 176.4751 599 K 4.1514 8.5828 126.5347 59.6120 32.5107 179.4732 600 V 3.6665 7.7671 110.3436 62.2622 32.3724 176.5508 601 K 3.9885 8.1196 118.2317 57.2742 29.7716 174.8785 602 E 4.1456 7.8458 118.2823 55.6175 30.7572 175.5633 603 K 4.7187 8.4866 124.6462 54.9303 35.3334 175.2708 604 I 4.5710 8.1669 120.8559 59.4758 40.0834 175.0681 605 K 4.5680 8.5262 122.7696 54.5394 34.3065 175.4249 606 A 4.7492 8.3589 124.6958 50.4969 20.9387 176.1508 607 E 4.8075 8.5397 120.6265 54.8292 32.3976 175.1805 608 H 4.8344 8.5987 118.5613 54.1746 30.7106 175.0514 609 S 4.6153 8.2527 117.7088 56.8939 64.6641 173.0661 610 E 4.1490 8.4726 122.2889 55.4364 30.2771 175.8920 611 K 4.4092 8.4105 125.5055 54.5047 32.8001 175.4468 612 L 4.2982 8.3332 125.1378 55.5823 42.5967 177.9431 613 G 4.1145 8.9231 111.9684 44.5753 0.0000 174.7035 614 E 3.7990 7.7047 119.7162 58.6802 30.0906 177.2859 615 R 4.2989 7.3771 116.9359 55.2380 30.9842 177.3135 616 D 4.4068 8.7825 122.6813 57.3282 41.0462 177.4974 617 D 4.8007 8.0958 116.2908 53.8451 39.4440 176.5714 618 T 4.4068 7.9308 109.3430 61.7519 69.4420 174.1521 619 I 4.2912 7.2094 123.3116 59.6907 38.5598 174.5492 620 P 4.3814 0.0000 0.0000 61.9389 32.6609 175.5349 621 P 4.1504 0.0000 0.0000 65.9535 31.3773 178.0152 622 E 3.8649 8.3437 117.2046 59.8265 29.5088 178.1675 623 Y 4.0884 7.9873 114.7886 59.6076 38.1949 178.0438 624 R 3.8991 7.9578 119.6996 59.6477 30.0263 178.4285 625 H 4.1953 7.8702 114.6386 58.8162 28.7608 177.1956 626 L 4.0443 7.4517 120.4760 58.1301 42.1342 178.5761 627 L 4.1786 7.8228 119.8159 58.1101 41.7895 177.7809 628 D 4.8309 8.1716 116.7192 55.6263 41.5923 178.1393 629 N 4.0552 7.9637 115.8747 54.0171 36.7555 174.0555 *650 Q 4.1116 8.4315 122.0990 56.5855 30.3419 174.8949 651 D 4.5904 8.3351 121.3277 53.3065 42.0296 175.4367 652 P 4.2577 0.0000 0.0000 66.6493 30.8039 178.7986 653 I 3.7604 7.6876 118.7236 64.1395 37.1755 177.9973 654 D 4.3643 8.1540 119.5124 57.0940 40.4034 178.5592 655 A 4.0023 7.8859 119.9618 55.1899 18.7449 179.2779 656 L 4.1955 7.8307 117.1716 58.0604 41.6260 179.5048 657 S 4.1114 8.4682 113.5072 61.5469 62.1887 175.9321 658 E 4.0014 8.1956 121.5348 59.0607 29.1096 178.4198 659 D 4.4561 7.9044 118.3950 56.5681 40.8206 177.0102 660 L 4.3747 7.4615 117.5487 53.3864 41.8761 176.3082 661 D 4.7511 7.9075 124.8212 53.8834 41.3945 173.4626 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 571 E 8.44 4.16 0.00 1.94 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 2.19 2.31 0.00 572 L 8.49 4.28 0.00 1.90 1.98 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 573 D 8.74 4.40 0.00 2.72 2.70 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 0.00 574 D 8.06 4.31 0.00 2.76 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 0.00 575 A 7.97 4.02 1.35 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 0.00 576 L 7.94 3.95 0.00 1.73 1.72 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 577 D 8.07 4.36 0.00 2.89 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 0.00 578 E 8.16 4.02 0.00 2.25 2.04 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 2.30 2.34 0.00 579 L 7.86 3.99 0.00 1.83 1.72 0.92 0.75 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 0.00 580 S 8.21 4.23 0.00 3.94 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 0.00 581 D 8.30 4.44 0.00 2.88 2.70 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 0.00 582 S 7.76 4.27 0.00 4.04 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 0.00 583 L 7.70 4.17 0.00 1.76 1.77 0.92 0.91 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 0.00 584 G 7.68 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 0.00 585 Q 8.03 4.54 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 586 R 8.31 4.15 0.00 1.79 1.89 0.00 3.35 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 587 Q 8.23 3.65 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.60 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 588 P 0.00 4.61 0.00 2.15 2.07 0.00 3.53 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 *595 P 0.00 4.22 0.00 2.09 2.07 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 596 L 8.13 4.83 0.00 1.59 1.54 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 597 D 8.19 4.77 0.00 2.65 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 0.00 598 D 8.41 4.36 0.00 2.63 2.62 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 0.00 599 K 8.58 4.15 0.00 1.77 1.84 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.52 7.81 600 V 7.77 3.67 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 0.70 0.00 0.00 0.93 0.00 0.00 601 K 8.12 3.99 0.00 1.85 1.80 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.39 1.47 7.81 602 E 7.85 4.15 0.00 1.93 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 2.29 2.29 0.00 603 K 8.49 4.72 0.00 1.86 1.73 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.41 7.81 604 I 8.17 4.57 1.87 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 0.56 0.91 0.00 0.00 605 K 8.53 4.57 0.00 1.72 1.70 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.40 7.81 606 A 8.36 4.75 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 0.00 607 E 8.54 4.81 0.00 1.95 1.86 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 2.22 2.29 0.00 608 H 8.60 4.83 0.00 3.07 3.23 0.00 5.88 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 609 S 8.25 4.62 0.00 3.97 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 0.00 610 E 8.47 4.15 0.00 1.93 1.89 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 2.27 2.39 0.00 611 K 8.41 4.41 0.00 1.95 1.72 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.37 7.81 612 L 8.33 4.30 0.00 1.63 1.60 0.92 1.04 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 0.00 613 G 8.92 4.11 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 0.00 0.00 0.00 614 E 7.70 3.80 0.00 2.03 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 2.32 2.28 0.00 615 R 7.38 4.30 0.00 1.98 2.07 0.00 3.19 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 616 D 8.78 4.41 0.00 2.78 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 0.00 617 D 8.10 4.80 0.00 2.78 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 0.00 618 T 7.93 4.41 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 1.25 0.00 0.00 619 I 7.21 4.29 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.57 0.95 0.00 0.00 620 P 0.00 4.38 0.00 2.38 2.07 0.00 3.65 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 2.09 2.18 0.00 621 P 0.00 4.15 0.00 2.18 2.14 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 622 E 8.34 3.86 0.00 2.06 1.90 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 2.17 2.37 0.00 623 Y 7.99 4.09 0.00 3.14 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 0.00 624 R 7.96 3.90 0.00 1.95 1.88 0.00 3.39 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 625 H 7.87 4.20 0.00 3.08 3.32 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 626 L 7.45 4.04 0.00 1.56 1.79 0.86 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 627 L 7.82 4.18 0.00 2.06 1.81 0.95 1.15 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 0.00 628 D 8.17 4.83 0.00 2.68 2.68 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 0.00 0.00 0.00 0.00 629 N 7.96 4.06 0.00 2.85 2.74 0.00 0.00 6.84 9.00 0.00 0.00 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 Q 8.43 4.11 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 651 D 8.34 4.59 0.00 2.78 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 0.00 652 P 0.00 4.26 0.00 2.25 2.33 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 653 I 7.69 3.76 1.87 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 1.64 0.87 0.91 0.00 0.00 654 D 8.15 4.36 0.00 2.96 2.77 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 0.00 655 A 7.89 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 656 L 7.83 4.20 0.00 1.90 1.72 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 657 S 8.47 4.11 0.00 3.97 3.99 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 0.00 658 E 8.20 4.00 0.00 2.43 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 0.00 659 D 7.90 4.46 0.00 2.89 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 0.00 660 L 7.46 4.37 0.00 1.58 1.68 0.92 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 661 D 7.91 4.75 0.00 2.86 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 * Residues marked with a * may have inaccurate shift predictions.