NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 540 S 4.3149 8.3349 115.4128 59.4870 63.8702 173.6647 541 D 4.5384 9.1005 124.2680 53.6171 38.2267 172.3509 542 L 4.8369 8.0657 119.9109 51.5946 45.8297 174.3770 543 P 4.1257 0.0000 0.0000 62.7421 32.8000 177.3639 544 V 3.5806 8.4987 122.0446 66.2625 31.6633 178.2477 545 E 4.0448 8.1720 116.4909 59.1427 29.1908 178.5051 546 E 3.9807 7.9899 120.1623 59.1336 29.7701 178.3998 547 Q 3.9950 8.2553 118.3944 58.8458 28.7192 178.4768 548 L 3.9630 8.6188 121.7826 58.1186 42.1019 179.0160 549 R 4.1389 7.8014 119.5785 58.9576 30.0278 178.7852 550 R 3.9574 7.8647 117.7965 59.1310 29.8175 179.0443 551 L 4.0447 7.5786 117.7749 57.6712 41.6116 179.0190 552 Q 4.1392 8.2522 118.1897 59.0496 28.1505 178.6588 553 E 4.0183 8.1924 120.4677 59.0838 29.5237 178.1862 554 E 4.1937 7.9399 114.8103 57.7173 30.2903 177.5902 555 R 4.3379 7.7206 118.7264 55.8096 31.0043 175.0110 556 T 4.6854 6.8243 113.8430 61.9172 70.4815 174.1217 557 C 4.1728 8.6570 125.6754 60.0950 31.8399 174.6095 558 K 4.3399 9.0563 125.8513 57.6511 32.1709 177.8683 559 V 4.2056 7.7909 111.6094 62.5616 33.1175 176.4682 560 C 4.3532 8.0772 111.2476 57.9574 30.2847 173.1496 561 M 3.3850 7.6395 118.3716 56.2256 29.5234 176.6581 562 D 4.6583 7.4539 113.3476 55.1932 44.1412 175.9821 563 K 4.4270 7.9124 115.9560 56.1296 34.1921 176.3488 564 E 4.6869 8.5439 119.9403 55.7476 30.8581 176.8745 565 V 3.8811 8.1509 115.2178 62.3540 32.3603 177.0799 566 S 4.6041 8.8294 114.8609 59.2204 66.8057 173.4316 567 I 4.7627 7.5068 121.9423 59.6910 40.6212 174.1789 568 V 4.2173 8.6314 127.4507 61.2812 33.2563 175.0290 569 F 5.1185 8.6809 127.2403 57.5771 40.4907 174.3470 570 I 4.8999 8.8471 123.9717 59.1576 39.0923 174.8985 571 P 4.6991 0.0000 0.0000 63.9198 32.1334 176.9205 572 C 4.0907 8.1267 113.9241 59.4760 29.6224 174.8816 573 G 3.9001 8.3931 106.7159 45.7210 0.0000 173.1376 574 H 4.3731 7.9549 117.1668 55.4966 29.2548 174.4052 575 L 4.9100 8.1204 125.1359 52.4051 41.6034 175.7686 576 V 4.4112 7.4615 114.2309 59.9753 34.3263 175.6380 577 V 4.6672 7.0611 112.4062 59.2971 35.5899 174.6143 578 C 4.7235 8.1763 116.7532 56.7476 31.0653 174.6528 579 K 4.1079 7.8611 118.3429 59.4705 32.4124 178.8880 580 D 4.4995 8.0590 119.0456 57.0661 41.0932 177.5582 581 C 4.3454 8.0197 116.2195 61.7106 28.5761 175.4325 582 A 4.1577 7.9517 122.6897 54.9333 17.7612 177.8804 583 P 4.3532 0.0000 0.0000 64.9858 31.5533 177.3682 584 S 4.4734 7.9605 112.9251 58.7729 63.2260 173.8337 585 L 4.6866 7.7194 120.9895 53.0426 43.4755 176.1283 586 R 4.3723 8.3649 121.7064 57.0320 31.9360 175.7692 587 K 4.9519 7.5970 115.7004 54.0086 36.3180 175.8660 588 C 3.9518 8.6323 124.0527 58.8213 31.8887 173.1143 589 P 4.2814 0.0000 0.0000 65.3545 30.6549 176.9355 590 I 4.0463 7.0890 118.8776 63.0875 38.2893 179.1824 591 C 4.6610 7.4989 123.1845 58.5483 31.1721 174.2146 592 R 5.3156 8.4418 116.3525 55.2429 31.0544 175.8031 593 S 4.4115 8.2960 113.8042 58.3532 64.6892 173.1459 594 T 4.4236 8.3096 113.4950 61.1494 69.4699 174.3550 595 I 3.6819 8.2719 128.5123 61.4802 37.2481 175.9100 596 K 4.4423 8.9449 124.9543 56.7890 33.7418 176.0428 597 G 4.2974 7.7123 105.9435 45.9521 0.0000 172.0333 598 T 5.4097 8.3334 108.8120 60.0850 72.1471 173.4018 599 V 4.3930 8.4897 122.7402 61.0088 34.8088 174.3046 600 R 4.4516 8.5627 128.4193 56.2325 30.4169 175.1580 601 T 4.2865 8.5337 121.1221 59.9982 70.5279 173.0350 602 F 4.9017 8.1765 123.6979 55.4249 41.6247 175.1951 603 L 4.3330 8.5578 125.9759 54.6146 42.3693 177.1903 604 S 4.2562 8.4188 117.8883 58.8588 63.8602 173.8560 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 540 S 8.33 4.31 0.00 4.06 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 0.00 541 D 9.10 4.54 0.00 2.96 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 542 L 8.07 4.84 0.00 1.57 1.54 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 543 P 0.00 4.13 0.00 2.15 2.01 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 544 V 8.50 3.58 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 1.09 0.00 0.00 0.93 0.00 0.00 545 E 8.17 4.04 0.00 2.20 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 2.36 2.31 0.00 546 E 7.99 3.98 0.00 2.10 2.16 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 2.37 2.45 0.00 547 Q 8.26 3.99 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 548 L 8.62 3.96 0.00 1.76 1.74 0.92 1.03 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 0.00 549 R 7.80 4.14 0.00 2.07 2.08 0.00 3.19 0.00 0.00 3.40 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 550 R 7.86 3.96 0.00 2.03 1.96 0.00 3.17 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 551 L 7.58 4.04 0.00 1.58 1.72 0.92 1.41 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 0.00 552 Q 8.25 4.14 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 553 E 8.19 4.02 0.00 2.22 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 2.30 2.31 0.00 554 E 7.94 4.19 0.00 2.16 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 2.45 2.30 0.00 555 R 7.72 4.34 0.00 1.91 2.15 0.00 3.07 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 556 T 6.82 4.69 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 1.29 0.00 0.00 557 C 8.66 4.17 0.00 3.04 2.84 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 0.00 558 K 9.06 4.34 0.00 1.92 1.85 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.23 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.45 7.81 559 V 7.79 4.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.95 0.00 0.00 560 C 8.08 4.35 0.00 3.08 3.05 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 0.00 561 M 7.64 3.38 0.00 2.13 2.14 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 2.55 2.60 0.00 562 D 7.45 4.66 0.00 2.67 2.42 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 0.00 563 K 7.91 4.43 0.00 1.76 1.71 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.44 7.81 564 E 8.54 4.69 0.00 2.12 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 2.28 2.34 0.00 565 V 8.15 3.88 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 0.71 0.00 0.00 0.94 0.00 0.00 566 S 8.83 4.60 0.00 3.84 3.95 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 0.00 567 I 7.51 4.76 1.67 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.00 0.79 0.00 0.00 568 V 8.63 4.22 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 0.91 0.00 0.00 0.82 0.00 0.00 569 F 8.68 5.12 0.00 3.05 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 570 I 8.85 4.90 1.91 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 1.31 0.80 0.93 0.00 0.00 571 P 0.00 4.70 0.00 2.17 2.17 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 572 C 8.13 4.09 0.00 3.10 3.14 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 0.00 0.00 0.00 573 G 8.39 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 0.00 0.00 0.00 574 H 7.95 4.37 0.00 3.44 3.26 0.00 5.59 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 575 L 8.12 4.91 0.00 1.44 1.49 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 576 V 7.46 4.41 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 0.67 0.00 0.00 0.98 0.00 0.00 577 V 7.06 4.67 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 0.96 0.00 0.00 0.93 0.00 0.00 578 C 8.18 4.72 0.00 3.09 3.16 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 0.00 579 K 7.86 4.11 0.00 2.00 1.96 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.42 7.81 580 D 8.06 4.50 0.00 2.68 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 0.00 581 C 8.02 4.35 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.95 4.16 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.07 2.14 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 584 S 7.96 4.47 0.00 4.04 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 0.00 585 L 7.72 4.69 0.00 1.72 1.63 1.10 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 586 R 8.36 4.37 0.00 1.84 1.84 0.00 3.09 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 587 K 7.60 4.95 0.00 1.54 1.55 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.33 7.81 588 C 8.63 3.95 0.00 2.82 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 0.00 589 P 0.00 4.28 0.00 2.14 2.14 0.00 4.08 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 2.17 2.20 0.00 590 I 7.09 4.05 1.60 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 0.61 0.77 0.00 0.00 591 C 7.50 4.66 0.00 3.12 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.44 5.32 0.00 1.64 1.87 0.00 3.25 0.00 0.00 2.58 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 593 S 8.30 4.41 0.00 3.88 3.98 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 0.00 594 T 8.31 4.42 4.18 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 1.17 0.00 0.00 595 I 8.27 3.68 1.68 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.19 0.94 0.00 0.00 596 K 8.94 4.44 0.00 1.56 1.83 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.50 7.81 597 G 7.71 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 0.00 0.00 0.00 0.00 598 T 8.33 5.41 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 599 V 8.49 4.39 2.02 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 0.80 0.00 0.00 0.92 0.00 0.00 600 R 8.56 4.45 0.00 1.74 1.67 0.00 3.25 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.03 0.00 601 T 8.53 4.29 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 1.07 0.00 0.00 602 F 8.18 4.90 0.00 3.02 2.90 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 0.00 603 L 8.56 4.33 0.00 1.67 1.62 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 604 S 8.42 4.26 0.00 3.82 3.70 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