NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 503 E 4.3201 8.4449 120.2250 56.1539 29.8990 175.0804 504 R 4.0664 9.3751 124.1624 54.7340 31.4046 176.2022 505 P 4.2717 0.0000 0.0000 65.8086 32.4533 178.4344 506 L 4.0657 7.8742 116.5104 56.8373 41.6356 179.1809 507 D 4.2948 8.7747 120.6802 57.2665 40.6106 178.5915 508 V 3.5547 7.6476 116.7972 66.0719 31.7555 177.6456 509 I 3.6753 7.4922 119.2115 64.6059 36.9701 177.8201 510 H 4.0456 7.9513 118.9763 59.4074 29.4919 177.1878 511 R 4.1518 8.0049 117.7483 58.1759 30.2041 178.1819 512 S 4.4542 8.1480 114.8638 58.0631 63.0379 173.8112 513 L 4.1096 6.8872 120.8475 56.7605 41.6483 176.9801 514 D 4.6067 10.1884 122.1993 54.6147 38.9769 173.6028 515 K 4.7672 8.1773 118.8123 54.3800 36.1428 174.9789 516 D 5.1132 8.4746 121.5354 54.4534 42.2463 176.1422 517 V 4.9746 9.5281 116.1227 59.5819 36.9747 173.8403 518 L 5.0275 9.0597 123.8264 53.4402 44.6103 175.2046 519 V 4.6415 9.3127 127.6839 61.2754 33.1913 174.2837 520 I 4.2969 8.6856 130.6796 60.6231 37.8647 176.0893 521 L 4.6555 8.0098 127.2871 53.5409 42.6570 177.7128 522 K 4.0088 8.7728 120.5264 59.4970 32.0703 179.4351 523 K 3.9899 7.7008 116.3154 57.4639 32.1522 175.4877 524 G 4.3218 8.1304 108.9210 46.3538 0.0000 174.2359 525 F 4.8470 7.9044 114.4197 56.1364 40.8820 173.5672 526 E 5.0887 8.7225 115.3154 55.7899 33.3687 173.8641 527 F 5.4828 9.2530 118.1720 55.6877 43.0564 174.4033 528 R 5.0208 8.5119 122.0022 54.7911 33.2329 175.0027 529 G 4.1743 8.2421 110.8624 46.4874 0.0000 171.1682 530 R 4.9120 7.7817 120.8955 54.1809 31.0900 175.9477 531 L 4.5171 8.8059 130.4842 55.5869 42.8587 176.9028 532 I 4.4715 8.8014 119.0328 59.6305 38.7611 175.1645 533 G 4.1010 7.5394 110.6620 46.8108 0.0000 170.9077 534 Y 5.2870 7.7088 117.3765 57.3338 40.1489 170.9930 535 D 4.6207 7.8455 117.2530 52.2867 42.5523 175.7626 536 I 3.8426 8.4382 117.3100 64.2373 38.0630 176.6104 537 H 4.3728 8.4493 116.2423 56.6504 28.6242 175.7822 538 L 3.9417 7.9348 120.5568 54.8055 41.3253 173.5438 539 N 4.8699 8.1348 114.6385 53.6135 39.6876 174.4099 540 V 4.9515 8.4925 114.5497 59.6558 36.7291 174.4707 541 V 4.8206 8.4667 121.9100 61.2175 34.5132 174.4221 542 L 5.3732 8.7135 125.6230 52.9373 46.0912 175.1831 543 A 5.0745 8.6837 123.8342 50.5132 21.8148 176.2097 544 D 4.6291 8.7334 119.2353 55.3874 39.0158 173.6451 545 A 4.9778 8.0717 120.5707 51.4819 21.7673 177.9029 546 E 5.2398 9.1319 118.1619 54.9052 33.7946 174.8342 547 M 4.3134 9.4212 125.6866 55.3300 33.6849 174.9222 548 I 5.0571 8.9648 126.7029 59.7435 41.0241 174.4285 549 Q 4.6542 8.7047 125.7409 55.9166 32.6076 174.3584 550 D 4.3930 10.2608 123.6916 55.1220 38.8544 174.2745 551 G 4.0600 8.6266 106.0744 44.9880 0.0000 173.1368 552 E 4.5996 8.3049 120.2096 53.5652 32.4898 175.1522 553 V 3.9995 8.3833 124.3951 63.4853 31.4406 175.8344 554 V 4.3102 8.0934 120.2420 60.4085 32.4579 175.7316 555 K 4.2220 7.1002 120.7773 56.1209 35.1408 173.3694 556 R 5.3098 8.3005 122.5819 54.7554 34.1847 174.3703 557 Y 4.6763 9.1270 118.6432 56.4771 42.2579 176.3984 558 G 3.6474 9.1440 111.3667 48.7436 0.0000 173.0105 559 K 5.1284 7.9125 121.5167 54.1219 35.2198 174.6095 560 I 4.4779 8.6731 127.3395 59.0732 41.3889 173.8196 561 V 4.6477 8.2926 128.6615 61.4291 33.0812 174.5449 562 I 4.2622 8.2610 129.2780 59.1331 39.4950 175.1268 563 R 4.2941 8.6954 127.7002 56.1894 30.0769 176.9718 564 G 4.1382 9.9965 117.6781 48.8044 0.0000 173.8619 565 D 4.4719 8.0662 117.1379 55.9643 41.4792 175.9358 566 N 4.7230 8.5767 115.7157 53.4911 39.3222 174.6084 567 V 4.1186 7.3653 119.1649 62.2264 32.5877 174.7765 568 L 4.5061 9.0863 129.1756 56.5538 42.8077 176.0250 569 A 4.7201 7.5399 117.9949 50.8851 22.7648 174.4352 570 I 4.9953 8.2262 119.3080 59.5336 40.8249 175.2093 571 S 4.6251 9.1401 120.6537 55.7732 65.3123 171.5672 572 P 4.5316 0.0000 0.0000 63.7453 32.1691 176.6937 573 T 3.6802 8.6957 119.0037 64.2336 68.8716 171.9717 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 503 E 8.44 4.32 0.00 1.96 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 2.21 2.33 0.00 504 R 9.38 4.07 0.00 1.92 1.82 0.00 3.15 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 505 P 0.00 4.27 0.00 2.13 2.06 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 506 L 7.87 4.07 0.00 1.68 1.71 0.97 1.00 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 0.00 507 D 8.77 4.29 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 0.00 508 V 7.65 3.55 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 0.91 0.00 0.00 509 I 7.49 3.68 1.47 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.49 0.20 0.00 0.00 510 H 7.95 4.05 0.00 3.40 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 511 R 8.00 4.15 0.00 1.82 1.98 0.00 3.22 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 512 S 8.15 4.45 0.00 3.99 3.86 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 0.00 0.00 0.00 513 L 6.89 4.11 0.00 1.68 1.67 0.88 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 514 D 10.19 4.61 0.00 2.86 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 0.00 515 K 8.18 4.77 0.00 1.78 1.67 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.37 7.81 516 D 8.47 5.11 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.53 4.97 2.15 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 0.69 0.00 0.00 0.99 0.00 0.00 518 L 9.06 5.03 0.00 1.70 1.50 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 519 V 9.31 4.64 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.95 0.00 0.00 520 I 8.69 4.30 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.68 0.87 0.00 0.00 521 L 8.01 4.66 0.00 1.12 1.34 0.42 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 522 K 8.77 4.01 0.00 1.76 1.82 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.49 7.81 523 K 7.70 3.99 0.00 1.50 1.84 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.67 7.81 524 G 8.13 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 F 7.90 4.85 0.00 3.32 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 0.00 526 E 8.72 5.09 0.00 2.03 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 0.00 2.18 2.29 0.00 527 F 9.25 5.48 0.00 3.01 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 0.00 528 R 8.51 5.02 0.00 1.95 1.80 0.00 3.18 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 529 G 8.24 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 0.00 0.00 0.00 0.00 530 R 7.78 4.91 0.00 2.02 1.83 0.00 3.25 0.00 0.00 3.11 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 531 L 8.81 4.52 0.00 1.82 1.56 1.09 0.56 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 0.00 532 I 8.80 4.47 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 1.16 0.85 0.96 0.00 0.00 533 G 7.54 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 534 Y 7.71 5.29 0.00 3.07 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 0.00 535 D 7.85 4.62 0.00 2.72 2.74 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 0.00 0.00 0.00 0.00 536 I 8.44 3.84 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.84 0.73 0.00 0.00 537 H 8.45 4.37 0.00 3.33 3.31 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 L 7.93 3.94 0.00 1.72 1.91 0.90 1.25 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 0.00 539 N 8.13 4.87 0.00 3.03 2.73 0.00 0.00 6.80 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 0.00 540 V 8.49 4.95 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 0.76 0.00 0.00 0.90 0.00 0.00 541 V 8.47 4.82 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 1.00 0.00 0.00 0.91 0.00 0.00 542 L 8.71 5.37 0.00 1.53 1.47 0.90 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 543 A 8.68 5.07 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 0.00 544 D 8.73 4.63 0.00 2.80 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 0.00 545 A 8.07 4.98 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 0.00 546 E 9.13 5.24 0.00 1.99 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 2.31 2.33 0.00 547 M 9.42 4.31 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 548 I 8.96 5.06 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.75 0.92 0.00 0.00 549 Q 8.70 4.65 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.12 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 550 D 10.26 4.39 0.00 2.85 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 0.00 551 G 8.63 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 0.00 0.00 0.00 552 E 8.30 4.60 0.00 1.94 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 2.17 2.19 0.00 553 V 8.38 4.00 2.09 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 0.90 0.00 0.00 0.99 0.00 0.00 554 V 8.09 4.31 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 0.69 0.00 0.00 0.87 0.00 0.00 555 K 7.10 4.22 0.00 1.76 1.65 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.57 1.06 7.81 556 R 8.30 5.31 0.00 1.60 1.76 0.00 3.20 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 557 Y 9.13 4.68 0.00 2.88 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 558 G 9.14 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 K 7.91 5.13 0.00 1.72 1.65 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.41 7.81 560 I 8.67 4.48 1.52 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.98 0.45 0.00 0.00 561 V 8.29 4.65 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 0.82 0.00 0.00 0.89 0.00 0.00 562 I 8.26 4.26 1.75 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.48 0.85 0.00 0.00 563 R 8.70 4.29 0.00 1.82 1.82 0.00 3.20 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 564 G 10.00 4.14 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 0.00 0.00 0.00 565 D 8.07 4.47 0.00 2.63 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 0.00 566 N 8.58 4.72 0.00 2.79 2.76 0.00 0.00 6.48 7.60 0.00 0.00 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 V 7.37 4.12 2.17 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 0.73 0.00 0.00 0.91 0.00 0.00 568 L 9.09 4.51 0.00 1.59 1.75 0.90 1.18 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 0.00 569 A 7.54 4.72 1.19 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 0.00 0.00 0.00 570 I 8.23 5.00 1.83 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 1.21 0.70 0.88 0.00 0.00 571 S 9.14 4.63 0.00 3.80 3.65 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 0.00 0.00 0.00 0.00 572 P 0.00 4.53 0.00 1.96 1.95 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 573 T 8.70 3.68 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 1.21 0.00 0.00