NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 437 S 4.5260 8.3344 117.0983 58.5967 63.8978 173.6508 438 H 4.4461 8.9022 112.8559 57.1113 31.8571 171.9039 439 M 4.9824 7.8806 114.4457 52.7759 34.6292 174.4853 440 C 4.0793 9.1481 121.7098 60.1425 32.0328 174.6430 441 L 4.2592 8.3890 125.8546 56.1296 41.8754 178.1183 442 V 4.0003 7.8352 117.9433 64.3942 32.1365 176.0424 443 C 4.8940 7.5101 110.0291 55.9653 30.4442 174.6459 444 S 3.8840 8.3543 114.7106 59.3437 60.8994 171.0691 445 D 4.6416 7.5216 120.8597 53.6518 42.7534 174.4647 446 E 4.4915 8.5732 122.0911 55.9165 30.0105 176.2555 447 A 4.5181 8.4913 128.8199 51.7706 19.3640 177.3656 448 S 4.5036 10.2559 113.7719 57.3802 63.8612 174.2475 449 G 3.9643 7.3939 108.0248 43.6171 0.0000 171.7880 450 C 4.4694 7.9176 121.0257 58.5110 31.4122 172.2206 451 H 4.7156 9.0329 125.2554 55.5011 31.1840 174.0971 452 Y 3.8950 9.0200 120.7133 59.0936 35.4758 172.9730 453 G 4.0483 8.9102 106.5863 45.1006 0.0000 173.8839 454 V 4.4752 7.7228 119.1780 60.3930 35.6862 174.2252 455 L 4.6394 8.5002 128.9169 55.8412 42.9797 175.7094 456 T 5.0281 8.6479 115.6913 60.5032 73.1911 173.0984 457 C 4.8243 8.6512 117.4241 57.0931 31.4336 174.9384 458 G 3.5818 8.6273 106.2142 47.8280 0.0000 176.0222 459 S 4.2124 8.0222 116.3256 61.4832 63.0698 176.2387 460 C 4.2863 8.1087 120.0883 62.2290 27.9476 175.3399 461 K 4.1431 8.1160 121.4479 60.1569 31.6964 179.0663 462 V 3.8349 8.0338 118.9129 64.5332 31.4360 177.8156 463 F 4.0644 8.8111 121.8928 61.3015 39.1952 176.9878 464 F 4.2849 8.8892 120.4643 61.0368 39.2001 177.1189 465 K 3.4969 8.0509 119.3078 59.4565 32.0496 179.0093 466 R 3.7698 8.2641 118.5379 58.9660 29.7622 178.9283 467 A 3.4923 7.5907 120.8295 54.9984 18.0931 179.9042 468 V 3.2535 6.7910 115.0930 66.1321 31.6544 177.9004 469 E 4.0643 7.9290 117.1705 58.6116 29.3495 178.7359 470 G 3.4328 7.7754 104.0775 43.9905 0.0000 173.5108 471 Q 3.0711 7.1466 118.9831 57.3814 26.4617 173.9311 472 H 3.9978 7.2253 112.9811 56.4441 30.0044 175.9160 473 N 4.0509 7.6393 114.4332 54.3234 35.3624 173.2820 474 Y 4.5496 7.3747 115.4215 57.6389 39.2715 175.4708 475 L 4.7708 8.3135 124.1265 52.9356 44.6142 175.9096 476 C 4.2216 8.8437 125.9349 59.7404 32.0423 172.8341 477 A 4.6900 8.5798 126.8836 51.9274 21.1419 177.2588 478 G 3.8828 8.3099 102.9248 45.5645 0.0000 174.8106 479 R 4.6414 8.6837 119.7694 55.7926 32.0953 174.6693 480 N 4.5394 8.6086 112.1223 53.9449 36.2160 174.4931 481 D 4.7967 7.4421 114.1648 52.4434 39.8160 175.3184 482 C 4.2258 8.1514 116.8543 60.7904 28.8230 173.8843 483 I 3.7723 8.2396 124.5175 61.3623 36.6502 175.9824 484 I 4.2607 8.2805 127.4729 59.5550 37.3145 173.8451 485 D 5.5336 7.7733 125.8910 50.4483 42.2540 175.8144 486 K 3.8859 8.8373 118.7713 60.2953 32.3592 179.1140 487 I 3.8748 7.8194 117.7125 63.9654 37.4397 176.9873 488 R 4.4805 8.4272 117.7343 55.8193 30.0070 178.4445 489 R 3.9150 7.5645 117.0740 58.7629 29.0205 178.2948 490 K 4.0560 7.8956 117.6040 58.6719 32.4048 178.7451 491 N 4.3638 7.8562 116.2152 55.8023 38.6270 175.1798 492 C 4.4343 7.4902 114.6523 56.3057 33.3701 172.1437 493 P 3.9847 0.0000 0.0000 65.0003 30.7932 178.2740 494 A 4.2673 7.8153 119.1862 55.6802 18.4443 179.4053 495 C 4.1689 8.0397 114.7582 62.6194 28.2691 176.1274 496 R 3.7877 8.1813 120.6247 59.5672 29.6718 177.8795 497 Y 4.7442 8.5630 119.4414 61.0054 38.8993 177.9002 498 R 3.7998 8.3808 119.6589 59.5293 30.2776 178.4232 499 K 3.9959 8.5936 119.6277 59.3539 32.2342 178.6457 500 C 4.0652 8.1690 117.2388 62.8686 28.1296 176.0293 501 L 3.8963 7.8441 120.3978 57.9461 40.9581 179.7332 502 Q 3.9791 7.9936 116.7050 58.5426 28.7042 177.9904 503 A 4.2299 7.5234 119.6361 52.9223 18.5799 178.1711 504 G 3.8997 7.7548 105.6675 45.2463 0.0000 173.8893 505 M 4.2366 7.1712 118.4680 55.4185 32.3096 175.5085 506 N 5.1099 8.3835 119.3544 52.5611 42.5903 174.6347 507 L 4.2906 8.8263 125.1864 58.0580 42.5313 178.2018 508 E 4.3871 7.9628 117.5965 55.1342 28.4520 176.2351 509 A 4.1382 7.9769 124.9614 55.0701 19.3005 178.2457 510 R 4.2402 7.8360 117.2840 56.3134 30.3856 176.5785 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 437 S 8.33 4.53 0.00 3.65 3.59 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 0.00 438 H 8.90 4.45 0.00 3.18 3.24 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 439 M 7.88 4.98 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 440 C 9.15 4.08 0.00 2.98 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 0.00 441 L 8.39 4.26 0.00 1.80 1.69 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 442 V 7.84 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 0.82 0.00 0.00 0.93 0.00 0.00 443 C 7.51 4.89 0.00 3.05 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 3.88 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.52 4.64 0.00 2.80 2.56 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 0.00 0.00 0.00 0.00 446 E 8.57 4.49 0.00 2.05 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 2.30 2.46 0.00 447 A 8.49 4.52 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 10.26 4.50 0.00 3.98 3.98 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 0.00 449 G 7.39 3.96 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 0.00 0.00 0.00 450 C 7.92 4.47 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 451 H 9.03 4.72 0.00 3.17 2.99 0.00 5.81 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 0.00 452 Y 9.02 3.89 0.00 3.17 3.22 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 0.00 453 G 8.91 4.05 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 0.00 0.00 0.00 454 V 7.72 4.48 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 0.90 0.00 0.00 0.94 0.00 0.00 455 L 8.50 4.64 0.00 1.80 1.54 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 456 T 8.65 5.03 4.31 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 1.28 0.00 0.00 457 C 8.65 4.82 0.00 3.15 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 0.00 458 G 8.63 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 0.00 459 S 8.02 4.21 0.00 4.10 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 0.00 460 C 8.11 4.29 0.00 3.07 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 0.00 461 K 8.12 4.14 0.00 1.85 2.05 0.00 1.27 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.70 1.61 7.81 462 V 8.03 3.83 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 1.04 0.00 0.00 0.99 0.00 0.00 463 F 8.81 4.06 0.00 3.25 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 464 F 8.89 4.28 0.00 3.43 3.32 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 0.00 465 K 8.05 3.50 0.00 1.78 1.92 0.00 1.44 0.00 0.00 1.57 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.45 7.81 466 R 8.26 3.77 0.00 1.90 1.85 0.00 3.33 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 467 A 7.59 3.49 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 468 V 6.79 3.25 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.33 0.00 0.00 469 E 7.93 4.06 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 470 G 7.78 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 471 Q 7.15 3.07 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 472 H 7.23 4.00 0.00 1.59 2.69 0.00 6.04 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 473 N 7.64 4.05 0.00 2.74 2.79 0.00 0.00 6.97 7.46 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 0.00 474 Y 7.37 4.55 0.00 3.07 2.87 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 0.00 475 L 8.31 4.77 0.00 1.59 1.57 0.96 0.95 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 0.00 476 C 8.84 4.22 0.00 3.06 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 0.00 477 A 8.58 4.69 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 0.00 478 G 8.31 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 479 R 8.68 4.64 0.00 2.05 1.86 0.00 3.28 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 480 N 8.61 4.54 0.00 2.85 2.89 0.00 0.00 6.89 8.06 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 0.00 481 D 7.44 4.80 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 482 C 8.15 4.23 0.00 2.97 2.89 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 0.00 0.00 0.00 483 I 8.24 3.77 1.85 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 1.40 0.46 0.90 0.00 0.00 484 I 8.28 4.26 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.28 0.88 0.00 0.00 485 D 7.77 5.53 0.00 2.82 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 0.00 486 K 8.84 3.89 0.00 1.71 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.52 7.81 487 I 7.82 3.87 1.85 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 1.40 0.51 0.90 0.00 0.00 488 R 8.43 4.48 0.00 1.93 1.89 0.00 3.10 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 489 R 7.56 3.91 0.00 1.71 2.05 0.00 2.99 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.53 0.00 490 K 7.90 4.06 0.00 1.80 1.86 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.42 7.81 491 N 7.86 4.36 0.00 2.86 2.85 0.00 0.00 6.67 7.02 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 0.00 492 C 7.49 4.43 0.00 2.91 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 0.00 493 P 0.00 3.98 0.00 0.81 1.08 0.00 3.49 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 1.76 1.93 0.00 494 A 7.82 4.27 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 495 C 8.04 4.17 0.00 2.98 2.99 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 0.00 0.00 0.00 496 R 8.18 3.79 0.00 1.68 1.68 0.00 2.57 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.35 0.00 497 Y 8.56 4.74 0.00 3.63 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 498 R 8.38 3.80 0.00 2.08 2.14 0.00 3.16 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 499 K 8.59 4.00 0.00 2.00 1.91 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.47 7.81 500 C 8.17 4.07 0.00 3.43 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 0.00 501 L 7.84 3.90 0.00 1.69 1.62 0.47 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 502 Q 7.99 3.98 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 503 A 7.52 4.23 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 0.00 504 G 7.75 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 0.00 505 M 7.17 4.24 0.00 1.02 0.95 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.31 0.00 506 N 8.38 5.11 0.00 2.69 2.69 0.00 0.00 7.21 7.93 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 0.00 507 L 8.83 4.29 0.00 1.71 1.75 0.74 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 508 E 7.96 4.39 0.00 1.98 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 2.32 2.41 0.00 509 A 7.98 4.14 1.38 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 0.00 0.00 510 R 7.84 4.24 0.00 1.82 1.85 0.00 3.25 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00