NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 T 4.4940 8.1593 117.3240 62.7532 69.9312 173.4421 502 P 4.3305 0.0000 0.0000 61.9768 32.8932 174.0034 503 D 4.4495 8.8203 121.8925 55.3161 41.4191 176.9230 504 C 4.6990 9.1957 123.0840 57.8325 45.6838 173.9305 505 V 4.7110 7.2955 110.3079 59.9737 36.0872 173.8915 506 T 4.8870 9.1954 118.4497 60.8947 72.3944 174.5202 507 G 3.8647 7.7639 112.2609 45.4565 0.0000 171.1416 508 K 4.6704 7.8308 118.5459 54.7630 33.3049 177.0491 509 V 3.7416 8.1501 122.1610 62.9538 31.4811 175.4064 510 E 4.2883 8.9275 130.2770 59.1860 30.0302 176.1497 511 Y 5.2736 7.3512 114.7289 57.2515 41.0215 173.0098 512 T 5.0974 8.6279 109.6711 59.9946 72.5214 173.0613 513 K 4.5313 8.1879 123.0523 55.2137 36.0151 174.0105 514 Y 4.7800 8.7537 128.8207 56.9282 39.9159 174.3341 515 N 4.8974 8.3799 123.9544 51.5807 40.7572 175.7777 516 D 4.4071 8.8452 120.5917 57.3353 40.5304 176.7665 517 E 4.3283 8.0980 115.7321 56.1357 29.6568 176.5493 518 D 4.2776 7.8520 116.3448 55.8199 39.0488 173.7358 519 T 4.5067 6.8462 110.7326 60.4381 71.7680 173.0430 520 F 5.3149 9.0413 123.4485 56.8178 42.4315 173.4319 521 T 5.1985 8.7227 123.0791 62.1404 70.9155 174.0871 522 V 4.6586 9.3400 118.5183 59.3364 36.0242 174.5836 523 K 4.6726 8.2814 125.8041 54.6625 33.8643 174.9530 524 V 4.3539 7.9968 127.9299 60.7249 34.5394 174.9196 525 G 3.8952 8.9821 117.6265 47.1640 0.0000 173.9989 526 D 4.7751 8.8592 123.8796 52.5092 39.9820 175.6118 527 K 4.6650 7.6731 119.6883 54.7345 35.6727 174.6180 528 E 4.8495 8.7862 123.7727 54.5842 31.7300 174.7231 529 L 5.5140 9.2148 127.0297 52.8706 46.1256 175.5673 530 F 5.6867 9.1803 116.0533 55.4683 41.5716 173.8528 531 T 4.3956 8.8667 114.0848 60.1338 70.5777 173.7722 532 N 4.8241 8.6311 123.6043 52.6683 38.2423 175.1291 533 R 4.1715 7.5723 119.3458 55.2208 30.0010 176.8047 534 A 3.9847 8.6366 126.5331 55.3863 18.6286 178.7077 535 N 4.3245 8.1316 114.1406 56.2237 38.5167 177.1374 536 L 4.0292 7.8670 119.6840 56.8338 41.6894 179.1408 537 Q 2.7930 7.6222 118.5935 58.7566 28.6481 179.1065 538 S 4.1196 7.7939 114.5120 61.2329 63.1400 176.2253 539 L 3.8532 7.2913 120.6878 57.6314 41.3771 179.5012 540 L 4.3144 8.3625 119.2780 57.8143 41.5185 179.3519 541 L 4.1580 8.1059 120.3731 58.2871 42.0421 179.2000 542 S 4.1254 8.3273 115.0115 61.5319 62.6996 176.5495 543 A 4.1117 8.2133 123.5862 54.9916 17.8177 179.5153 544 Q 3.9333 8.3097 118.1464 59.5239 29.0122 178.5149 545 I 3.7914 7.9026 119.9431 64.3336 37.2949 177.7444 546 T 4.3535 7.9123 107.3683 61.0022 69.1658 174.7400 547 G 3.9055 7.7341 109.5584 47.0879 0.0000 174.1879 548 M 4.3886 8.0730 118.3215 55.2002 33.1334 176.3914 549 T 4.3644 8.6997 118.5414 62.8774 70.1727 174.1108 550 V 4.7094 8.8304 126.6173 61.2972 34.9119 174.3457 551 T 4.8581 8.4285 122.6176 61.8491 71.9128 172.7176 552 I 4.5363 8.4339 127.7530 59.4197 39.4120 174.7117 553 K 4.8971 8.1760 126.8387 55.1184 33.5090 175.7964 554 T 4.3933 8.0061 116.8479 61.6467 70.2378 173.1624 555 N 4.4403 9.0644 123.7630 55.0819 39.9669 175.8366 556 A 4.4824 7.7394 124.2914 51.2813 17.9061 177.8825 557 C 4.3806 7.5933 122.6137 54.6127 43.7099 171.5744 558 H 4.7333 7.4839 117.7498 53.7503 30.6989 173.9112 559 N 4.6043 8.7406 118.4685 55.2365 38.5865 175.8345 560 G 4.1002 9.4421 112.1416 44.9881 0.0000 173.8259 561 G 3.9691 7.6929 107.7124 45.6322 0.0000 173.6199 562 G 3.5790 8.3414 109.3521 44.7183 0.0000 172.5380 563 F 5.1276 7.6796 115.3669 55.8597 40.7008 174.2009 564 S 4.4012 8.7217 110.2359 57.7193 65.3979 173.6205 565 E 4.6493 8.2838 121.4593 54.9268 30.9535 175.3291 566 V 4.7554 8.2907 123.5362 61.1540 35.1091 174.0518 567 I 4.4084 8.6788 128.2076 59.5476 39.5635 174.3576 568 F 5.0649 8.8671 125.5573 55.8330 40.8310 176.0013 569 R 4.3441 8.9752 122.4373 56.2937 30.7255 175.6076 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 4.34 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 1.20 0.00 0.00 502 P 0.00 4.33 0.00 2.17 2.16 0.00 3.68 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 2.05 2.05 0.00 503 D 8.82 4.45 0.00 2.55 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 9.20 4.70 0.00 2.86 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 7.30 4.71 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 0.62 0.00 0.00 0.76 0.00 0.00 506 T 9.20 4.89 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 1.21 0.00 0.00 507 G 7.76 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 0.00 0.00 0.00 508 K 7.83 4.67 0.00 1.75 1.74 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.40 7.81 509 V 8.15 3.74 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 0.79 0.00 0.00 0.95 0.00 0.00 510 E 8.93 4.29 0.00 1.96 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 2.52 2.32 0.00 511 Y 7.35 5.27 0.00 3.04 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 0.00 512 T 8.63 5.10 3.68 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 1.32 0.00 0.00 513 K 8.19 4.53 0.00 1.86 1.62 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.40 7.81 514 Y 8.75 4.78 0.00 3.24 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.90 0.00 2.63 2.75 0.00 0.00 6.24 7.64 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 0.00 516 D 8.85 4.41 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 0.00 517 E 8.10 4.33 0.00 2.10 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 0.00 2.21 2.12 0.00 518 D 7.85 4.28 0.00 2.89 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 6.85 4.51 4.48 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 1.21 0.00 0.00 520 F 9.04 5.31 0.00 2.97 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 8.72 5.20 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 522 V 9.34 4.66 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 0.91 0.00 0.00 0.88 0.00 0.00 523 K 8.28 4.67 0.00 0.79 0.74 0.00 1.44 0.00 0.00 1.48 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.96 1.12 7.81 524 V 8.00 4.35 1.91 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 0.78 0.00 0.00 0.77 0.00 0.00 525 G 8.98 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 0.00 526 D 8.86 4.78 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 4.67 0.00 1.56 1.67 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.43 7.81 528 E 8.79 4.85 0.00 2.09 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 2.25 2.25 0.00 529 L 9.21 5.51 0.00 1.55 1.79 0.67 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 530 F 9.18 5.69 0.00 3.11 3.15 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 0.00 531 T 8.87 4.40 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 1.16 0.00 0.00 532 N 8.63 4.82 0.00 2.87 3.01 0.00 0.00 6.11 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 7.57 4.17 0.00 1.78 1.89 0.00 3.27 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 534 A 8.64 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 8.13 4.32 0.00 2.73 2.87 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 7.87 4.03 0.00 1.91 1.81 1.04 0.93 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 0.00 537 Q 7.62 2.79 0.00 1.94 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 1.49 2.06 0.00 538 S 7.79 4.12 0.00 4.01 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 0.00 539 L 7.29 3.85 0.00 1.98 1.48 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 540 L 8.36 4.31 0.00 2.01 2.07 1.38 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 541 L 8.11 4.16 0.00 1.98 1.74 1.09 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 542 S 8.33 4.13 0.00 4.06 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 8.21 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 8.31 3.93 0.00 2.31 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 545 I 7.90 3.79 1.91 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 0.83 0.94 0.00 0.00 546 T 7.91 4.35 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 1.22 0.00 0.00 547 G 7.73 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 0.00 0.00 0.00 548 M 8.07 4.39 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 549 T 8.70 4.36 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 8.83 4.71 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 0.77 0.00 0.00 0.86 0.00 0.00 551 T 8.43 4.86 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 8.43 4.54 1.51 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.36 0.24 0.00 0.00 553 K 8.18 4.90 0.00 1.60 1.69 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.29 7.81 554 T 8.01 4.39 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 1.16 0.00 0.00 555 N 9.06 4.44 0.00 2.75 2.86 0.00 0.00 6.87 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 7.74 4.48 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 0.00 557 C 7.59 4.38 0.00 2.92 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 7.48 4.73 0.00 3.36 3.36 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 N 8.74 4.60 0.00 2.78 2.87 0.00 0.00 7.11 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 9.44 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 0.00 561 G 7.69 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 0.00 562 G 8.34 3.58 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 0.00 0.00 0.00 563 F 7.68 5.13 0.00 2.90 2.85 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 0.00 564 S 8.72 4.40 0.00 3.89 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 0.00 565 E 8.28 4.65 0.00 2.14 1.91 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 2.35 2.31 0.00 566 V 8.29 4.76 1.81 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 0.07 0.00 0.00 1.05 0.00 0.00 567 I 8.68 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 0.52 0.89 0.00 0.00 568 F 8.87 5.06 0.00 2.91 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 8.98 4.34 0.00 1.86 1.77 0.00 3.14 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00