NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 T 4.4945 8.1593 117.3238 62.5867 69.9750 173.4775 502 P 4.2657 0.0000 0.0000 62.1986 32.5793 174.1171 503 D 4.5187 8.8516 121.8722 55.2803 41.4665 177.0698 504 C 4.8769 8.9112 122.0506 57.7663 46.7859 174.2630 505 V 4.6525 7.2157 116.1104 60.7491 34.3088 172.7764 506 T 4.9898 9.0806 118.4940 60.9300 72.1599 173.8856 507 G 3.9359 7.7716 111.0299 46.3553 0.0000 171.4649 508 K 4.9354 8.1628 118.6884 54.8802 33.3271 177.6061 509 V 3.8387 8.1864 122.8398 62.8747 32.0071 175.8619 510 E 4.3426 9.0481 128.5637 59.4426 29.9802 176.4662 511 Y 5.1248 7.0501 114.8868 56.4932 41.1124 173.1876 512 T 5.0977 8.5876 109.4797 59.9929 72.6006 173.0448 513 K 4.5162 8.1393 122.7055 55.2270 36.0297 173.9145 514 Y 4.8170 8.7538 128.9101 56.7357 39.6964 174.5474 515 N 4.8510 8.4010 124.2839 51.6002 40.3941 175.5790 516 D 4.3687 8.7356 120.2331 57.4519 41.2625 176.8596 517 D 4.6479 7.9544 116.1386 53.0063 39.4532 176.0490 518 D 3.9729 8.1114 117.0342 55.6337 39.0447 173.8413 519 T 4.4880 7.5794 111.0782 60.8191 71.4493 173.0974 520 F 5.3012 9.1346 123.0650 56.9280 42.5718 173.4386 521 T 5.3066 8.7709 123.2949 62.1470 71.0528 174.1061 522 V 4.6870 8.8346 123.7591 59.7900 35.3076 174.0369 523 K 4.7633 8.3992 124.8892 54.6156 34.2549 174.8520 524 V 4.4438 7.9496 126.8726 60.7447 34.7872 174.7558 525 G 3.7112 8.9135 116.4197 47.2491 0.0000 173.8659 526 D 4.8045 8.8838 123.4574 52.4354 39.9478 175.4874 527 K 4.8160 7.9332 119.7401 54.8330 35.4959 174.8090 528 E 4.7412 9.2381 124.5408 54.7179 31.6111 174.7242 529 L 5.5143 8.8097 126.6978 52.8772 46.0385 175.4692 530 F 5.6280 9.1136 114.6889 55.6016 41.7604 173.5953 531 T 4.4102 8.9929 113.8686 59.9849 70.8005 173.7094 532 N 4.9962 8.5297 122.3058 52.5474 38.0147 174.7013 533 R 4.2083 7.6374 119.0953 55.2274 30.1931 176.8388 534 A 3.9846 8.7001 126.4455 55.4957 18.1859 178.7255 535 N 4.3140 8.1480 114.1104 56.2511 38.5269 176.9791 536 L 4.1731 8.0422 119.6062 56.5504 41.7622 179.0923 537 Q 2.8433 7.7086 119.1128 58.7727 28.5966 178.9372 538 S 4.2034 7.7825 114.2354 60.8570 63.3050 176.2542 539 L 3.8070 7.2466 120.4321 57.7532 41.3548 179.3616 540 L 4.3486 8.3816 119.3098 57.6973 41.5093 179.2792 541 L 4.1502 8.1960 120.4263 58.3883 42.0773 179.2473 542 S 4.1250 8.4356 115.0767 61.5015 62.6719 176.4995 543 A 4.1063 8.2669 123.5783 55.0516 18.0905 179.5726 544 Q 3.9159 8.2940 118.0708 59.6023 29.0470 178.3722 545 I 3.8332 7.9835 119.9783 63.8371 37.1206 177.5306 546 T 4.5523 7.7735 107.8328 60.5175 69.0791 174.5101 547 G 3.9368 7.9005 107.8245 47.2864 0.0000 174.5003 548 M 4.4879 8.1002 118.4220 55.2112 33.8379 175.7378 549 T 4.7778 8.5212 117.8544 62.7390 70.3618 174.5260 550 V 4.8054 8.7729 119.7900 59.7443 35.3298 174.8042 551 T 4.8702 8.2911 120.1237 61.9172 71.1719 173.1126 552 I 4.3441 8.3034 128.0290 59.7820 39.0127 174.8641 553 K 4.8425 8.2444 126.6868 55.0101 33.7149 175.6876 554 T 4.4023 8.0384 116.9785 61.5275 70.1766 173.2362 555 N 4.4191 8.9638 124.3029 55.9235 39.9417 176.1674 556 A 4.3722 7.7043 122.7094 51.5291 17.4295 177.8510 557 C 4.6162 7.5706 123.9599 54.1808 43.1130 171.5533 558 H 4.8842 7.3634 117.3812 53.5687 31.1376 173.7811 559 N 4.5666 8.6803 118.1734 55.3382 38.6273 175.9096 560 G 4.1065 9.3482 111.5427 45.1887 0.0000 173.9768 561 G 4.0191 7.6940 107.7500 45.6887 0.0000 173.6042 562 G 3.5921 8.2948 108.9409 44.6508 0.0000 172.5342 563 F 5.1678 7.8069 115.0343 55.7334 41.1120 174.7774 564 S 4.4854 8.7302 109.6714 58.1040 65.3537 173.2035 565 E 4.8181 8.3224 121.4998 54.7908 32.2814 175.0160 566 V 4.7084 8.3157 123.1160 61.2313 35.1285 173.9383 567 I 4.4089 8.3808 128.0381 59.5467 39.6039 174.3825 568 F 5.0623 8.8156 125.2053 55.6534 41.0709 175.6182 569 R 4.3033 8.8640 123.6651 56.4050 30.2551 175.1369 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 501 T 8.16 4.49 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 1.24 0.00 0.00 502 P 0.00 4.27 0.00 2.17 2.16 0.00 3.69 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 2.21 2.05 0.00 503 D 8.85 4.52 0.00 2.53 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 504 C 8.91 4.88 0.00 2.87 3.13 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 0.00 0.00 0.00 0.00 505 V 7.22 4.65 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 0.51 0.00 0.00 0.89 0.00 0.00 506 T 9.08 4.99 4.19 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 0.00 0.00 0.00 1.16 0.00 0.00 507 G 7.77 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 0.00 508 K 8.16 4.94 0.00 1.65 1.75 0.00 1.90 0.00 0.00 2.43 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.22 7.81 509 V 8.19 3.84 2.12 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 0.80 0.00 0.00 0.96 0.00 0.00 510 E 9.05 4.34 0.00 1.65 2.01 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 2.26 2.36 0.00 511 Y 7.05 5.12 0.00 2.92 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 0.00 512 T 8.59 5.10 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 1.34 0.00 0.00 513 K 8.14 4.52 0.00 1.86 1.61 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.38 7.81 514 Y 8.75 4.82 0.00 3.26 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 0.00 515 N 8.40 4.85 0.00 2.86 2.61 0.00 0.00 6.18 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 516 D 8.74 4.37 0.00 2.65 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 0.00 517 D 7.95 4.65 0.00 2.75 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 0.00 518 D 8.11 3.97 0.00 2.84 2.83 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 0.00 519 T 7.58 4.49 4.55 0.00 0.00 0.00 0.00 0.00 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 0.00 520 F 9.13 5.30 0.00 2.99 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 0.00 521 T 8.77 5.31 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 1.35 0.00 0.00 522 V 8.83 4.69 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.92 0.00 0.00 523 K 8.40 4.76 0.00 0.79 0.75 0.00 1.50 0.00 0.00 1.47 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.08 1.33 7.81 524 V 7.95 4.44 1.92 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 0.85 0.00 0.00 0.79 0.00 0.00 525 G 8.91 3.71 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 0.00 0.00 0.00 526 D 8.88 4.80 0.00 2.76 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 0.00 527 K 7.93 4.82 0.00 1.61 1.67 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.43 7.81 528 E 9.24 4.74 0.00 2.05 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 2.23 2.26 0.00 529 L 8.81 5.51 0.00 1.60 1.79 0.90 0.38 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 0.00 530 F 9.11 5.63 0.00 3.19 3.12 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 0.00 0.00 0.00 531 T 8.99 4.41 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 532 N 8.53 5.00 0.00 2.87 2.98 0.00 0.00 6.08 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 0.00 533 R 7.64 4.21 0.00 1.83 1.89 0.00 3.27 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 534 A 8.70 3.98 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 0.00 535 N 8.15 4.31 0.00 2.74 2.88 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 536 L 8.04 4.17 0.00 1.88 1.81 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 537 Q 7.71 2.84 0.00 1.92 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 1.58 2.20 0.00 538 S 7.78 4.20 0.00 4.00 4.06 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 0.00 539 L 7.25 3.81 0.00 1.94 1.35 0.89 0.36 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 0.00 540 L 8.38 4.35 0.00 2.07 2.07 1.37 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 541 L 8.20 4.15 0.00 2.04 1.73 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 542 S 8.44 4.12 0.00 3.97 3.87 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 0.00 0.00 0.00 543 A 8.27 4.11 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 544 Q 8.29 3.92 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 545 I 7.98 3.83 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.85 0.93 0.00 0.00 546 T 7.77 4.55 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 547 G 7.90 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 0.00 548 M 8.10 4.49 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 549 T 8.52 4.78 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 1.18 0.00 0.00 550 V 8.77 4.81 1.79 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 0.81 0.00 0.00 0.87 0.00 0.00 551 T 8.29 4.87 4.13 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 0.00 0.00 0.00 1.12 0.00 0.00 552 I 8.30 4.34 1.53 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.47 0.11 0.00 0.00 553 K 8.24 4.84 0.00 1.59 1.74 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.28 7.81 554 T 8.04 4.40 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 555 N 8.96 4.42 0.00 2.73 2.86 0.00 0.00 6.95 7.35 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 0.00 556 A 7.70 4.37 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 557 C 7.57 4.62 0.00 3.08 3.02 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 0.00 558 H 7.36 4.88 0.00 3.39 3.36 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 N 8.68 4.57 0.00 2.79 2.87 0.00 0.00 7.06 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 560 G 9.35 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 0.00 561 G 7.69 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 0.00 0.00 0.00 562 G 8.29 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.81 5.17 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 0.00 564 S 8.73 4.49 0.00 3.90 3.82 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 0.00 565 E 8.32 4.82 0.00 2.08 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 2.27 0.00 566 V 8.32 4.71 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 1.06 0.00 0.00 567 I 8.38 4.41 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.77 0.89 0.00 0.00 568 F 8.82 5.06 0.00 2.90 2.97 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 0.00 569 R 8.86 4.30 0.00 1.95 1.72 0.00 3.12 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00