NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 A 4.1727 8.3645 123.5820 52.3803 19.2780 176.5367 502 P 4.4711 0.0000 0.0000 62.9577 29.4142 166.1930 503 V 4.4191 7.4719 117.9479 62.0798 40.3000 175.9090 504 I 4.2954 7.6680 119.4405 59.7003 36.6552 177.4923 505 N 4.8561 8.3681 116.1657 53.2269 41.0864 172.9091 506 I 4.3584 8.2930 123.7731 57.7304 36.5574 174.6184 507 E 4.4418 8.5936 123.4833 55.1339 27.3148 173.2362 508 D 5.0269 7.9162 130.5166 53.2565 42.0991 176.2087 509 L 4.3819 7.7436 118.6539 54.1043 43.2980 177.3150 510 T 4.4211 8.2132 110.6409 60.6785 71.3657 175.5221 511 E 3.9110 8.6103 120.0439 59.7635 29.5013 179.2355 512 K 4.0185 7.9824 119.7898 59.0685 32.2942 178.4190 513 D 4.4106 7.8266 119.5004 56.9097 40.7345 178.8645 514 K 3.9661 8.3334 119.3927 59.3383 32.0315 179.1877 515 L 3.9162 7.9032 120.6473 57.8485 42.0187 178.6653 516 K 3.8304 7.8668 119.1569 59.9904 32.2871 178.2357 517 M 4.2284 8.0998 119.5757 57.9155 32.0240 177.8352 518 E 3.9034 8.2872 119.4615 59.5232 29.8565 179.3718 519 V 3.6931 8.0339 112.2667 64.1840 31.5068 178.3603 520 D 4.3466 8.0776 119.1619 57.1589 40.6165 178.5040 521 Q 3.9639 8.0407 119.8783 59.1152 29.0456 178.0174 522 L 4.1549 8.0535 120.0742 57.8852 41.4427 179.7280 523 K 3.9832 8.2360 117.5896 58.8809 32.0699 179.4471 524 K 4.1318 7.5043 118.5409 59.5451 32.1880 179.1983 525 E 4.0214 8.2450 119.0325 59.3084 29.1133 179.8311 526 V 3.7435 7.9350 118.8365 64.3578 31.4535 177.5369 527 T 4.2987 7.3682 107.8643 60.7285 69.3875 174.8969 528 L 3.9467 7.2760 122.8777 55.1892 42.0706 176.8214 529 E 4.3197 8.5915 123.1825 55.2800 29.0069 175.8346 530 R 4.3785 8.2013 123.3333 55.0083 31.4684 176.4222 531 M 4.3342 8.3148 121.8357 54.4631 33.4926 176.3866 532 L 4.1305 8.2962 124.9817 54.8607 43.6182 179.0713 533 V 3.6935 8.4789 116.4981 64.3415 31.4962 179.0430 534 S 4.1343 7.9949 113.8604 61.4279 62.9731 176.4080 535 K 4.0173 7.9869 122.9509 59.1407 31.9963 178.5103 536 C 4.1998 8.1099 117.1939 62.9798 28.0045 175.8151 537 C 4.2322 8.6193 118.7503 62.8745 27.6154 176.0642 538 E 4.0290 8.3188 120.2325 59.4924 29.0605 179.2977 539 E 4.0401 8.2684 118.6000 59.2673 29.4969 179.1577 540 F 4.1326 8.5328 120.8852 61.1401 39.3902 177.1917 541 R 3.8894 8.3986 118.4511 59.7501 29.9906 178.3594 542 D 4.3699 8.5179 118.9872 57.1649 40.4854 178.2674 543 Y 3.9564 7.7829 119.5601 60.6233 39.1089 177.8354 544 V 3.5440 7.6150 119.0835 66.0752 31.2763 177.6112 545 E 3.9651 8.4133 118.9516 59.2461 28.9961 178.2673 546 E 4.4262 7.2820 113.5144 56.6574 29.9404 177.2693 547 R 4.4895 7.6011 117.5272 56.9330 34.1719 177.4957 548 S 4.0796 8.5727 113.4778 61.1328 63.0333 176.7103 549 G 3.6406 8.1690 108.8247 47.9088 0.0000 173.6332 550 E 4.4410 7.6443 116.7220 55.7371 29.8796 175.1943 551 D 4.4920 8.1461 121.0563 53.1557 41.5146 174.9846 552 P 4.2224 0.0000 0.0000 66.0887 31.0505 178.2695 553 L 4.1501 8.1142 116.2923 56.7924 41.6486 179.2459 554 V 3.8277 7.7569 118.2994 65.5588 31.8561 177.8785 555 K 4.1769 7.9188 116.0910 56.9467 33.0613 177.8161 556 G 4.0790 7.7091 104.4375 45.5563 0.0000 172.5769 557 I 4.5627 7.7369 118.7899 58.1893 40.3026 174.0881 558 P 4.3691 0.0000 0.0000 63.4622 32.0055 177.4973 559 E 3.6912 8.2519 121.5160 59.0875 30.8297 178.9464 560 D 4.3626 8.1009 120.0176 55.1913 39.3672 177.2993 561 K 4.2047 8.2007 116.8066 56.2329 32.4898 176.0974 562 N 4.5634 7.8928 119.3040 52.3112 38.7796 173.2301 563 P 4.1909 0.0000 0.0000 64.4462 31.6006 175.3300 564 F 4.9170 7.9718 117.3085 55.9408 41.9244 175.5120 565 K 4.1999 8.4862 119.7653 57.4881 32.9103 176.1013 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 A 8.36 4.17 1.28 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 0.00 0.00 0.00 502 P 0.00 4.47 0.00 2.37 2.10 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 503 V 7.47 4.42 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 0.78 0.00 0.00 0.93 0.00 0.00 504 I 7.67 4.30 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 1.27 1.11 0.91 0.00 0.00 505 N 8.37 4.86 0.00 2.69 2.55 0.00 0.00 6.38 7.72 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 0.00 506 I 8.29 4.36 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 1.27 1.20 0.91 0.00 0.00 507 E 8.59 4.44 0.00 1.98 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 0.00 2.23 1.90 0.00 508 D 7.92 5.03 0.00 2.60 2.64 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 0.00 509 L 7.74 4.38 0.00 1.61 1.61 0.88 0.94 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 0.00 510 T 8.21 4.42 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 0.00 511 E 8.61 3.91 0.00 2.25 2.26 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 2.36 2.44 0.00 512 K 7.98 4.02 0.00 1.89 1.84 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.59 7.81 513 D 7.83 4.41 0.00 2.92 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 0.00 514 K 8.33 3.97 0.00 1.92 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 515 L 7.90 3.92 0.00 1.91 1.66 0.92 0.79 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 0.00 516 K 7.87 3.83 0.00 2.20 1.92 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.50 7.81 517 M 8.10 4.23 0.00 2.17 2.26 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 2.60 2.46 0.00 518 E 8.29 3.90 0.00 2.19 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 2.35 0.00 519 V 8.03 3.69 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 0.84 0.00 0.00 0.98 0.00 0.00 520 D 8.08 4.35 0.00 2.90 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 8.04 3.96 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 522 L 8.05 4.15 0.00 1.86 1.70 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 523 K 8.24 3.98 0.00 1.90 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.63 7.81 524 K 7.50 4.13 0.00 2.23 1.84 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 525 E 8.24 4.02 0.00 2.13 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 0.00 2.32 2.49 0.00 526 V 7.93 3.74 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 0.82 0.00 0.00 0.93 0.00 0.00 527 T 7.37 4.30 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 7.28 3.95 0.00 1.92 1.65 0.92 0.91 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 0.00 529 E 8.59 4.32 0.00 1.95 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 0.00 2.27 2.32 0.00 530 R 8.20 4.38 0.00 1.79 1.84 0.00 3.19 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 531 M 8.31 4.33 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 2.57 2.56 0.00 532 L 8.30 4.13 0.00 1.77 1.58 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 533 V 8.48 3.69 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 0.79 0.00 0.00 0.92 0.00 0.00 534 S 7.99 4.13 0.00 4.05 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 0.00 535 K 7.99 4.02 0.00 1.86 1.98 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.54 7.81 536 C 8.11 4.20 0.00 3.19 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 8.62 4.23 0.00 3.14 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 8.32 4.03 0.00 2.20 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 2.57 0.00 539 E 8.27 4.04 0.00 2.27 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 2.37 2.64 0.00 540 F 8.53 4.13 0.00 3.27 3.28 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 0.00 541 R 8.40 3.89 0.00 2.10 2.20 0.00 3.17 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 542 D 8.52 4.37 0.00 2.75 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 0.00 543 Y 7.78 3.96 0.00 2.99 2.98 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 0.00 544 V 7.61 3.54 1.93 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 0.99 0.00 0.00 0.56 0.00 0.00 545 E 8.41 3.97 0.00 2.08 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 2.43 2.47 0.00 546 E 7.28 4.43 0.00 2.08 1.95 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 2.39 2.10 0.00 547 R 7.60 4.49 0.00 1.64 1.76 0.00 2.79 0.00 0.00 2.95 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.33 0.00 548 S 8.57 4.08 0.00 3.95 4.09 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 0.00 549 G 8.17 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 0.00 0.00 0.00 0.00 550 E 7.64 4.44 0.00 1.89 1.93 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 2.23 2.33 0.00 551 D 8.15 4.49 0.00 2.65 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 0.00 552 P 0.00 4.22 0.00 2.21 2.14 0.00 3.65 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 553 L 8.11 4.15 0.00 1.77 1.72 0.92 0.68 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 0.00 554 V 7.76 3.83 2.33 0.00 0.00 0.00 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 0.93 0.00 0.00 555 K 7.92 4.18 0.00 1.95 2.02 0.00 1.92 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.50 7.81 556 G 7.71 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 557 I 7.74 4.56 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.74 0.94 0.00 0.00 558 P 0.00 4.37 0.00 2.22 2.19 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 559 E 8.25 3.69 0.00 2.16 2.19 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 2.36 2.31 0.00 560 D 8.10 4.36 0.00 2.78 2.86 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 0.00 561 K 8.20 4.20 0.00 1.85 1.89 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.36 7.81 562 N 7.89 4.56 0.00 2.77 2.91 0.00 0.00 7.14 7.05 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 0.00 563 P 0.00 4.19 0.00 1.66 2.00 0.00 3.85 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 2.00 0.00 564 F 7.97 4.92 0.00 3.19 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 0.00 565 K 8.49 4.20 0.00 1.73 1.67 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.39 7.81