NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 M 4.4276 8.2893 120.3486 55.0825 32.5165 175.7098 502 P 4.4866 0.0000 0.0000 61.3678 33.1364 169.5638 503 V 4.2749 7.5561 107.3635 62.9322 35.4755 176.5733 504 I 4.1249 7.4173 114.8887 60.6518 38.8386 174.9760 505 N 4.8207 8.2470 119.3630 52.7345 41.7834 173.8235 506 I 4.3291 8.0894 125.7317 60.4235 38.7000 175.3899 507 E 4.3698 8.5751 121.7374 56.8332 29.7755 177.0081 508 D 4.6810 7.7394 119.4557 52.7912 39.1663 176.0329 509 L 4.5535 7.3729 118.2049 54.5776 44.0208 177.7689 510 T 4.3382 8.6379 112.0503 61.0250 71.2575 175.6136 511 E 3.9496 8.7643 121.6359 59.8413 29.4466 180.0615 512 K 3.9520 7.9456 117.5969 59.7190 32.1522 178.8154 513 D 4.5270 8.0680 119.0667 57.5114 40.6803 179.2705 514 K 4.0566 8.0389 118.8318 59.1098 32.1262 179.4231 515 L 4.0159 8.0398 119.4597 57.7246 41.5181 179.2265 516 K 3.8676 8.6198 118.7317 59.9165 32.0000 178.6806 517 M 4.0894 7.9429 117.9692 58.7961 32.1255 178.0190 518 E 3.9008 8.1337 119.1701 59.6111 29.8820 179.4238 519 V 3.6992 7.9829 112.2245 64.1902 31.5242 178.4493 520 D 4.3234 8.0844 119.0616 57.3090 40.6149 178.4221 521 Q 3.9688 8.2510 120.1470 59.2883 28.8579 178.3883 522 L 4.0577 7.8405 118.7179 57.4227 41.9633 179.4900 523 K 4.1260 7.9390 118.7499 59.1297 32.0243 179.1036 524 K 3.8984 8.0587 119.8585 59.7849 32.1148 178.6822 525 E 3.9748 8.5938 119.0045 59.2282 29.0468 179.5664 526 V 3.6760 7.4028 117.8457 65.8548 31.6984 177.4489 527 T 4.1896 7.3809 106.4389 61.3214 68.9346 174.1823 528 L 4.0821 7.0544 124.7006 54.9709 42.6414 175.8845 529 E 4.2957 8.7021 125.9792 55.7548 30.1906 176.0039 530 R 4.5855 8.3452 122.8181 54.5974 32.2774 175.6050 531 M 4.4143 8.1946 120.6971 54.0306 33.7326 175.6962 532 L 4.1329 8.2051 123.6878 54.4195 42.6200 178.1502 533 V 3.5603 8.7587 123.4403 66.3398 31.4187 177.9377 534 S 4.0878 8.1855 113.2262 61.7969 62.1366 176.3778 535 K 4.1551 8.3696 122.9179 58.7467 31.8632 178.6285 536 C 4.2883 7.9047 116.9297 62.7224 28.2317 175.4546 537 C 4.1729 8.3508 118.6164 62.6405 27.6292 175.5797 538 E 3.9526 7.8211 119.6297 59.5933 29.2627 178.8508 539 E 4.0056 7.8975 117.1343 59.4579 29.5047 178.8207 540 F 4.0458 8.6218 120.9174 61.1523 39.4110 176.7285 541 R 3.9628 8.8683 118.5240 60.1200 29.9391 177.4622 542 D 4.2995 8.4467 117.4762 57.4859 40.9325 177.1568 543 Y 3.9676 8.0159 119.8741 61.1011 39.0718 178.4460 544 V 3.5366 7.7500 118.3971 66.0272 31.7815 177.3440 545 E 3.8891 8.2588 119.0775 59.4213 29.3256 178.4252 546 E 4.2213 7.8306 113.8513 57.8501 29.9362 177.7074 547 R 4.3503 7.2264 117.6861 56.9510 32.0179 177.8300 548 S 4.1494 8.6471 114.7380 61.4502 62.4956 176.6244 549 G 3.7222 8.0232 107.1125 46.2069 0.0000 173.2829 550 E 4.3873 7.8348 120.0581 55.6556 30.6769 175.0311 551 D 4.4307 7.8526 119.2845 54.1579 41.5583 174.7641 552 P 4.2455 0.0000 0.0000 65.6545 31.4943 178.2470 553 L 4.2437 8.0929 115.9088 56.0360 42.1226 178.1044 554 V 3.9551 7.7418 117.7266 64.8952 32.0312 176.9981 555 K 4.0750 8.0080 117.4438 56.9622 32.4051 178.0106 556 G 4.0107 7.9874 104.1027 45.1518 0.0000 172.5765 557 I 4.4210 7.7438 119.8255 58.2692 39.1924 174.3766 558 P 4.3026 0.0000 0.0000 62.5228 31.6789 176.7401 559 E 3.9446 9.0787 123.3462 59.6153 29.5784 178.7162 560 D 4.4938 8.0426 116.8061 56.4429 41.1651 176.9424 561 K 4.3530 7.9380 116.9085 55.9904 32.1019 175.4236 562 N 4.8333 7.6614 118.5469 51.5705 39.5833 174.3455 563 P 4.1902 0.0000 0.0000 64.8981 31.6511 176.8570 564 F 4.6789 8.8447 116.4466 56.7137 39.2846 176.0703 565 K 3.9177 7.4096 121.2284 56.0190 32.4120 175.0887 566 E 3.7966 8.7754 124.0027 55.8668 29.0871 176.6284 567 L 4.0042 8.4703 128.3352 55.5141 42.5097 177.0305 568 K 4.1806 8.3800 124.2557 56.8241 33.1420 175.9656 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 M 8.29 4.43 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 502 P 0.00 4.49 0.00 2.30 2.08 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 503 V 7.56 4.27 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 0.79 0.00 0.00 0.93 0.00 0.00 504 I 7.42 4.12 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 1.30 0.53 0.91 0.00 0.00 505 N 8.25 4.82 0.00 2.66 2.67 0.00 0.00 7.02 7.94 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 0.00 506 I 8.09 4.33 1.94 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 0.97 1.00 0.00 0.00 507 E 8.58 4.37 0.00 1.95 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 2.29 2.23 0.00 508 D 7.74 4.68 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 0.00 509 L 7.37 4.55 0.00 1.65 1.62 0.97 0.96 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 0.00 510 T 8.64 4.34 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 1.27 0.00 0.00 511 E 8.76 3.95 0.00 2.07 2.06 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 2.41 2.49 0.00 512 K 7.95 3.95 0.00 1.79 1.85 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 513 D 8.07 4.53 0.00 2.92 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 0.00 514 K 8.04 4.06 0.00 1.99 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.67 7.81 515 L 8.04 4.02 0.00 1.84 1.71 0.92 0.79 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 0.00 516 K 8.62 3.87 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.69 7.81 517 M 7.94 4.09 0.00 2.02 2.07 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 2.60 2.56 0.00 518 E 8.13 3.90 0.00 2.31 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 2.30 2.40 0.00 519 V 7.98 3.70 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 0.75 0.00 0.00 1.03 0.00 0.00 520 D 8.08 4.32 0.00 2.88 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 0.00 521 Q 8.25 3.97 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 522 L 7.84 4.06 0.00 1.80 1.72 0.92 0.77 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 0.00 523 K 7.94 4.13 0.00 1.97 1.84 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.72 7.81 524 K 8.06 3.90 0.00 1.83 1.97 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 525 E 8.59 3.97 0.00 2.02 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 0.00 2.32 2.58 0.00 526 V 7.40 3.68 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 0.85 0.00 0.00 0.98 0.00 0.00 527 T 7.38 4.19 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 1.26 0.00 0.00 528 L 7.05 4.08 0.00 1.65 1.75 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 529 E 8.70 4.30 0.00 1.99 1.87 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 2.29 2.27 0.00 530 R 8.35 4.59 0.00 1.78 1.82 0.00 3.19 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 531 M 8.19 4.41 0.00 1.97 1.95 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 2.54 2.55 0.00 532 L 8.21 4.13 0.00 1.75 1.58 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 533 V 8.76 3.56 2.07 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 1.13 0.00 0.00 0.91 0.00 0.00 534 S 8.19 4.09 0.00 4.09 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 0.00 535 K 8.37 4.16 0.00 1.84 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.49 7.81 536 C 7.90 4.29 0.00 3.14 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 0.00 537 C 8.35 4.17 0.00 2.98 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 0.00 538 E 7.82 3.95 0.00 2.18 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 2.33 2.44 0.00 539 E 7.90 4.01 0.00 2.31 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 0.00 2.36 2.52 0.00 540 F 8.62 4.05 0.00 3.25 3.23 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 0.00 541 R 8.87 3.96 0.00 1.98 2.26 0.00 3.21 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 542 D 8.45 4.30 0.00 3.01 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 0.00 543 Y 8.02 3.97 0.00 2.98 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 0.00 544 V 7.75 3.54 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 0.88 0.00 0.00 0.44 0.00 0.00 545 E 8.26 3.89 0.00 2.11 1.96 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 2.29 2.32 0.00 546 E 7.83 4.22 0.00 2.12 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 2.59 2.19 0.00 547 R 7.23 4.35 0.00 1.63 1.71 0.00 2.21 0.00 0.00 2.48 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.25 0.00 548 S 8.65 4.15 0.00 3.97 4.16 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 0.00 549 G 8.02 3.72 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 0.00 0.00 0.00 550 E 7.83 4.39 0.00 1.84 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 2.19 2.23 0.00 551 D 7.85 4.43 0.00 2.74 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 0.00 552 P 0.00 4.25 0.00 2.22 2.11 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 553 L 8.09 4.24 0.00 1.76 1.70 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 554 V 7.74 3.96 2.30 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 0.80 0.00 0.00 0.97 0.00 0.00 555 K 8.01 4.08 0.00 1.78 1.84 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.69 7.81 556 G 7.99 4.01 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 0.00 0.00 0.00 557 I 7.74 4.42 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.70 0.96 0.00 0.00 558 P 0.00 4.30 0.00 2.18 1.99 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 559 E 9.08 3.94 0.00 2.05 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 0.00 2.39 2.43 0.00 560 D 8.04 4.49 0.00 2.69 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 0.00 561 K 7.94 4.35 0.00 1.76 1.83 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.36 7.81 562 N 7.66 4.83 0.00 2.80 2.73 0.00 0.00 7.22 7.59 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 0.00 563 P 0.00 4.19 0.00 1.71 1.88 0.00 3.96 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 2.10 2.10 0.00 564 F 8.84 4.68 0.00 3.05 3.09 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 0.00 0.00 0.00 0.00 565 K 7.41 3.92 0.00 1.89 1.73 0.00 2.04 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.55 7.81 566 E 8.78 3.80 0.00 1.96 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 2.32 2.41 0.00 567 L 8.47 4.00 0.00 1.64 1.60 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 568 K 8.38 4.18 0.00 1.72 1.61 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.65 7.81