NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 404 M 4.5171 8.1627 118.3341 54.8981 33.5527 173.7185 405 K 4.4377 8.2818 121.7248 55.0509 33.6489 173.9471 406 L 5.0934 9.0238 127.1730 53.1948 45.4151 174.1758 407 Y 5.3709 8.7954 123.4596 56.2148 41.3396 174.3340 408 F 5.9821 8.4227 123.7057 53.7593 43.0187 176.1116 409 N 4.9050 8.9346 122.9810 52.9866 36.5006 175.0431 410 G 4.1797 7.7651 104.9666 46.1284 0.0000 173.6248 411 G 4.1638 8.3044 107.9447 45.2070 0.0000 173.1440 412 K 3.8105 8.7338 120.2881 59.7971 32.0420 179.4558 413 K 4.1853 7.9354 115.1767 57.7507 31.0362 177.6152 414 K 4.3860 8.4930 118.5400 55.5216 32.2888 176.7251 415 K 3.8622 8.1743 117.1347 57.4720 29.8250 176.1467 416 I 3.9876 6.9084 116.3447 61.1675 37.6299 175.6743 417 R 4.7149 8.7976 121.0955 53.3162 34.5018 176.0918 418 A 4.1575 8.8187 121.2913 55.5683 17.9790 180.6251 419 V 3.5176 7.7214 116.9119 65.3678 31.6034 177.9799 420 D 4.1768 7.6643 119.9777 57.6250 40.5008 178.5789 421 F 4.1674 8.1776 118.0366 59.0176 39.1184 177.5997 422 V 3.6742 8.3219 117.7419 66.3066 31.7384 178.9151 423 G 3.5701 8.8146 105.6795 48.1869 0.0000 175.5920 424 T 3.9766 7.4203 114.3753 63.9620 67.6431 176.0483 425 I 4.0761 7.9519 121.7191 63.8662 37.4524 177.5168 426 A 4.1441 7.6064 119.7448 54.9933 18.7733 179.1285 427 K 4.3007 7.5131 116.0036 56.4053 31.4713 177.5681 428 I 4.4058 7.4547 117.5234 58.8329 40.5339 172.5967 429 D 4.5933 8.9825 128.2754 58.2096 40.0026 174.9566 430 G 3.4641 7.8160 117.6355 44.7774 0.0000 172.0294 431 V 4.4078 7.8729 121.3854 60.8609 34.2979 174.7631 432 S 4.7977 9.2829 121.1347 56.1605 65.5201 174.9700 433 A 4.1785 8.3617 123.4030 54.4211 18.2312 178.9234 434 D 4.6661 7.5326 113.2818 55.5546 41.3636 177.1456 435 D 4.5003 8.1828 118.8748 55.2191 41.3207 175.8831 436 I 4.6548 7.1828 120.0589 60.0967 38.1721 175.4981 437 G 4.1833 8.5930 123.2835 46.1688 0.0000 173.4677 438 I 4.0700 8.5071 124.5421 61.5188 38.4506 175.0840 439 I 4.8343 8.2805 125.8762 59.9267 40.3279 175.5976 440 T 4.5117 9.2528 122.6916 61.6353 70.9153 173.0541 441 I 4.2806 8.2127 126.7847 61.5485 38.3887 175.7812 442 M 4.7123 8.1478 123.9147 54.4836 35.8964 175.2196 443 D 4.3265 8.8608 117.8174 58.1413 40.9983 177.4179 444 N 5.1384 7.9847 110.0296 52.3902 41.0293 174.0361 445 A 5.2516 7.6351 120.2608 49.0770 23.0838 175.1253 446 S 4.7822 8.0620 115.5488 56.8733 66.2113 172.7534 447 Y 5.5857 8.4524 122.2408 56.7194 39.9802 175.1685 448 V 4.7139 8.7664 123.2446 60.0263 34.3867 173.9991 449 E 4.8357 9.2154 127.2221 55.3417 31.1203 174.7396 450 I 4.7785 8.4001 127.0989 59.6855 39.3737 175.1766 451 L 4.5569 9.1716 126.8985 53.5176 44.5023 175.6358 452 N 4.1644 8.9950 114.0795 54.4214 35.4483 176.0626 453 G 4.0166 8.1780 103.7140 46.5858 0.0000 175.3012 454 K 4.5507 7.8057 118.4603 57.2271 31.9179 178.6806 455 G 3.7436 8.0244 107.2060 46.9069 0.0000 173.9409 456 P 4.2632 0.0000 0.0000 65.6853 31.6086 177.5133 457 H 4.0741 8.3744 114.8719 58.9872 29.9212 176.5629 458 V 3.6943 7.7817 119.1087 66.1817 30.9962 177.7801 459 L 3.9569 7.9412 119.6162 58.1571 41.9119 179.2356 460 K 4.1734 8.0949 116.5861 56.1824 32.9415 177.6147 461 V 4.4943 7.4300 116.5968 63.9932 36.9606 174.3977 462 M 4.4791 8.4789 119.1057 57.1169 32.4677 178.2654 463 K 4.1231 7.4419 117.4989 59.2971 32.5530 176.6890 464 N 5.2295 7.7064 114.1043 50.9677 37.4374 172.8685 465 T 4.5142 7.6081 113.2171 60.5175 72.1164 174.0219 466 T 3.9013 8.6037 115.9231 61.9416 67.9890 173.6972 467 V 3.8404 8.1965 127.7187 61.9020 31.9791 175.5391 468 K 3.6610 9.3304 127.1917 57.1055 30.5965 174.8597 469 G 3.6263 8.9281 101.6302 45.3195 0.0000 175.8265 470 K 4.1187 7.4584 116.0739 55.1372 33.9303 174.1230 471 Q 4.1678 8.5124 127.2103 56.2816 29.5679 175.4342 472 L 4.7475 7.9973 121.6592 53.7520 43.7396 175.4707 473 K 4.1772 9.3062 119.9365 57.0868 32.7501 176.7479 474 V 5.3426 8.7607 117.3709 57.8040 35.4751 174.5904 475 N 4.1266 8.5771 121.4698 52.2903 39.5046 173.3164 476 K 3.9370 8.6341 118.9539 56.3120 32.3590 175.2342 477 A 4.0897 8.8288 129.8703 53.8455 18.3992 176.9862 478 N 3.9898 8.8619 119.0202 53.7835 39.1504 174.8806 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 404 M 8.16 4.52 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 405 K 8.28 4.44 0.00 2.04 1.60 0.00 1.13 0.00 0.00 0.76 0.00 0.00 2.67 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.32 7.81 406 L 9.02 5.09 0.00 1.95 1.42 0.99 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 407 Y 8.80 5.37 0.00 3.20 2.95 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 0.00 0.00 0.00 408 F 8.42 5.98 0.00 2.93 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 0.00 409 N 8.93 4.90 0.00 2.84 3.15 0.00 0.00 5.89 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 410 G 7.77 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 411 G 8.30 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 0.00 0.00 0.00 412 K 8.73 3.81 0.00 1.81 1.85 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.60 7.81 413 K 7.94 4.19 0.00 1.88 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.55 7.81 414 K 8.49 4.39 0.00 1.71 1.75 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.36 7.81 415 K 8.17 3.86 0.00 1.85 1.89 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.37 7.81 416 I 6.91 3.99 1.85 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.68 0.59 0.00 0.00 417 R 8.80 4.71 0.00 1.88 1.75 0.00 3.12 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 418 A 8.82 4.16 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 0.00 419 V 7.72 3.52 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 0.87 0.00 0.00 0.92 0.00 0.00 420 D 7.66 4.18 0.00 2.41 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 421 F 8.18 4.17 0.00 3.18 2.84 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 0.00 422 V 8.32 3.67 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 1.03 0.00 0.00 423 G 8.81 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 424 T 7.42 3.98 4.29 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 1.26 0.00 0.00 425 I 7.95 4.08 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.24 0.97 0.00 0.00 426 A 7.61 4.14 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 427 K 7.51 4.30 0.00 1.90 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.38 7.81 428 I 7.45 4.41 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 2.06 1.08 0.00 0.00 429 D 8.98 4.59 0.00 2.73 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 0.00 430 G 7.82 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 431 V 7.87 4.41 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 0.94 0.00 0.00 1.00 0.00 0.00 432 S 9.28 4.80 0.00 3.97 3.95 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 0.00 0.00 0.00 433 A 8.36 4.18 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 434 D 7.53 4.67 0.00 2.72 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 0.00 435 D 8.18 4.50 0.00 2.93 2.72 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 0.00 436 I 7.18 4.65 1.88 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 1.26 0.53 0.91 0.00 0.00 437 G 8.59 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 438 I 8.51 4.07 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 1.34 0.65 0.92 0.00 0.00 439 I 8.28 4.83 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.72 0.77 0.00 0.00 440 T 9.25 4.51 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 441 I 8.21 4.28 1.87 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.77 0.93 0.00 0.00 442 M 8.15 4.71 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 443 D 8.86 4.33 0.00 2.69 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 0.00 444 N 7.98 5.14 0.00 2.55 2.78 0.00 0.00 6.58 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 0.00 445 A 7.64 5.25 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 446 S 8.06 4.78 0.00 3.79 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 447 Y 8.45 5.59 0.00 2.91 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 0.00 448 V 8.77 4.71 1.70 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 0.53 0.00 0.00 0.90 0.00 0.00 449 E 9.22 4.84 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 2.32 0.00 450 I 8.40 4.78 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 1.28 1.08 0.94 0.00 0.00 451 L 9.17 4.56 0.00 1.52 1.58 0.92 1.02 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 0.00 452 N 9.00 4.16 0.00 2.94 2.95 0.00 0.00 6.68 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 453 G 8.18 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 0.00 454 K 7.81 4.55 0.00 1.80 1.86 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.59 7.81 455 G 8.02 3.74 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 0.00 0.00 0.00 456 P 0.00 4.26 0.00 2.19 2.15 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 457 H 8.37 4.07 0.00 3.15 3.32 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 458 V 7.78 3.69 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.04 0.00 0.00 459 L 7.94 3.96 0.00 1.80 1.87 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 460 K 8.09 4.17 0.00 1.74 1.80 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.57 7.81 461 V 7.43 4.49 2.21 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 0.70 0.00 0.00 0.78 0.00 0.00 462 M 8.48 4.48 0.00 2.24 2.30 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 2.95 2.97 0.00 463 K 7.44 4.12 0.00 1.82 1.89 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.71 1.58 7.81 464 N 7.71 5.23 0.00 2.79 2.78 0.00 0.00 6.78 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 0.00 465 T 7.61 4.51 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 1.29 0.00 0.00 466 T 8.60 3.90 4.22 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 0.00 0.00 0.00 1.21 0.00 0.00 467 V 8.20 3.84 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 0.45 0.00 0.00 0.91 0.00 0.00 468 K 9.33 3.66 0.00 1.72 1.70 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.21 1.40 7.81 469 G 8.93 3.63 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 0.00 470 K 7.46 4.12 0.00 1.66 1.65 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.35 7.81 471 Q 8.51 4.17 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 472 L 8.00 4.75 0.00 2.12 1.63 1.24 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 473 K 9.31 4.18 0.00 1.95 1.90 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.51 7.81 474 V 8.76 5.34 1.30 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 0.63 0.00 0.00 0.84 0.00 0.00 475 N 8.58 4.13 0.00 2.82 2.90 0.00 0.00 5.78 7.63 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 0.00 476 K 8.63 3.94 0.00 1.71 1.78 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 477 A 8.83 4.09 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 478 N 8.86 3.99 0.00 2.78 2.85 0.00 0.00 7.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00