NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2954 8.3449 119.6946 55.0005 31.1032 174.4102 2 M 4.7044 7.3475 116.8510 52.8783 33.5726 174.7905 3 F 4.2424 9.7847 125.3960 57.7466 43.1725 175.5807 4 C 4.1700 8.6489 118.9990 58.9441 39.6306 171.8315 5 N 4.8641 8.5936 114.7471 54.2712 39.3527 173.7620 6 Q 3.7104 8.6484 120.6459 57.5396 26.7592 173.3220 7 T 3.9296 9.3319 115.8620 63.1892 67.2239 172.7328 8 A 4.6010 7.1000 116.5669 51.3994 21.9162 174.5120 9 C 5.0600 8.3528 116.0092 52.9917 46.1421 172.4718 10 P 5.1672 0.0000 0.0000 61.2034 32.3995 176.5739 11 A 5.4499 8.2413 121.5955 51.7729 19.5232 177.2086 12 D 4.5114 8.2584 121.3654 56.0586 39.0443 176.4523 13 C 4.4793 8.3208 120.2846 57.0950 33.0664 172.6524 14 D 4.6426 8.2886 124.5286 53.0928 41.1748 176.1239 15 P 4.4427 0.0000 0.0000 64.7083 31.6648 176.6907 16 N 4.7432 8.0290 115.1743 54.2613 39.7244 174.7075 17 T 4.5529 7.3136 112.0770 60.8133 67.8176 172.4862 18 Q 3.9515 7.4534 123.2687 56.4834 28.6435 175.5701 19 A 4.5522 7.6960 127.2950 51.9593 20.7428 177.2700 20 S 4.6898 7.9788 114.1332 59.4704 64.2225 173.5771 21 C 5.0548 8.1022 111.0242 55.2855 42.7215 174.3464 22 E 3.8703 8.2711 118.9423 56.5936 29.7351 175.5168 23 C 3.9851 8.1962 118.3511 55.7806 40.5064 172.4245 24 P 4.1292 0.0000 0.0000 62.3945 30.5717 174.6371 25 E 4.4401 8.6321 117.9824 58.4313 27.7799 176.4122 26 G 3.9993 8.4449 112.2565 46.0870 0.0000 171.9491 27 Y 4.1697 7.6982 122.6900 59.0855 38.7133 173.2729 28 I 3.2558 7.8882 125.5158 60.1753 38.2976 173.3148 29 L 4.2735 8.2221 127.8118 54.8894 41.5322 174.0169 30 D 4.7995 7.5776 118.3254 53.9356 43.3686 176.2579 31 D 4.4204 8.1951 116.5254 54.5216 40.0614 176.3011 32 G 4.2520 7.3714 109.6784 46.9028 0.0000 173.0226 33 F 3.7477 7.8765 112.3957 57.8161 36.9578 175.1103 34 I 5.0144 7.2786 121.4483 59.4146 38.3392 174.6245 35 C 4.6462 8.9338 128.4389 57.6403 43.4111 171.8438 36 T 4.6453 7.7129 119.7847 62.2322 70.3584 171.5903 37 D 4.2057 8.0396 117.8068 53.5966 43.8071 174.8293 38 I 4.5054 8.2106 117.5025 62.2181 40.5498 174.4312 39 D 4.3347 7.6924 123.3144 53.2006 47.3800 175.0640 40 E 4.1878 8.8087 127.6976 56.6648 29.7029 175.2229 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 1 Q 8.34 4.30 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 2 M 7.35 4.70 0.00 1.94 1.88 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 2.49 2.57 0.00 3 F 9.78 4.24 0.00 2.94 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 4 C 8.65 4.17 0.00 3.33 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 5 N 8.59 4.86 0.00 2.81 2.77 0.00 0.00 6.01 7.41 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 6 Q 8.65 3.71 0.00 2.21 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 5.79 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 7 T 9.33 3.93 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 1.25 0.00 0.00 8 A 7.10 4.60 1.23 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 0.00 0.00 9 C 8.35 5.06 0.00 2.99 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 10 P 0.00 5.17 0.00 2.13 2.13 0.00 3.70 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.96 0.00 11 A 8.24 5.45 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 12 D 8.26 4.51 0.00 2.69 2.68 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 0.00 13 C 8.32 4.48 0.00 2.97 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 14 D 8.29 4.64 0.00 2.71 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 15 P 0.00 4.44 0.00 2.18 2.18 0.00 3.75 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 1.99 1.99 0.00 16 N 8.03 4.74 0.00 2.71 2.90 0.00 0.00 6.63 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.31 4.55 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 18 Q 7.45 3.95 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.31 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 19 A 7.70 4.55 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 20 S 7.98 4.69 0.00 3.84 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.10 5.05 0.00 3.12 3.33 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 22 E 8.27 3.87 0.00 1.97 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 2.29 2.33 0.00 23 C 8.20 3.99 0.00 3.09 3.10 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 24 P 0.00 4.13 0.00 1.23 0.93 0.00 3.23 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 25 E 8.63 4.44 0.00 1.98 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 2.33 2.34 0.00 26 G 8.44 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 0.00 0.00 0.00 27 Y 7.70 4.17 0.00 2.69 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 28 I 7.89 3.26 1.92 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 1.35 0.61 0.77 0.00 0.00 29 L 8.22 4.27 0.00 1.56 1.50 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.58 4.80 0.00 2.62 2.46 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 31 D 8.20 4.42 0.00 2.81 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 32 G 7.37 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.88 3.75 0.00 3.27 3.14 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 34 I 7.28 5.01 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.63 0.97 0.00 0.00 35 C 8.93 4.65 0.00 3.18 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 36 T 7.71 4.65 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 1.26 0.00 0.00 37 D 8.04 4.21 0.00 1.58 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 0.00 0.00 0.00 38 I 8.21 4.51 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 1.39 0.82 0.92 0.00 0.00 39 D 7.69 4.33 0.00 2.61 2.43 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 40 E 8.81 4.19 0.00 1.88 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00