NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3518 8.3049 118.1961 54.4566 32.4946 174.5025 2 K 3.7712 8.5407 120.3722 56.3690 32.1681 174.9102 3 R 4.4659 8.2016 128.7339 56.1111 32.5182 175.7457 4 T 4.3188 8.5701 107.4438 62.4332 70.5219 174.0115 5 W 4.8019 8.1677 131.7191 56.3457 30.3507 175.3993 6 Q 4.2385 7.4128 125.9132 52.6074 28.1891 173.7363 7 P 3.4246 0.0000 0.0000 62.2794 32.6477 176.2372 8 N 4.4903 7.8299 115.2814 52.0593 42.6235 175.6415 9 R 4.0521 8.3701 126.6983 58.7606 30.4063 178.6111 10 R 3.8610 7.9953 118.1778 59.5318 29.9202 177.7444 11 K 4.1787 8.0982 118.4705 59.7005 32.0005 178.0742 12 R 3.9094 7.8219 118.0773 59.6172 30.0951 178.3744 13 A 4.0378 8.2961 120.5326 55.1639 18.2270 179.5962 14 K 3.8821 8.9214 116.8729 59.5083 32.1326 178.8702 15 T 4.1931 8.1044 112.3084 64.3118 67.7590 175.2077 16 H 4.7936 7.9165 114.9467 55.3150 29.0234 175.1822 17 G 3.9632 7.7064 110.1146 45.6618 0.0000 174.8477 18 F 4.1527 8.8115 119.9782 60.9744 39.1651 177.4892 19 R 4.1540 8.2530 116.2263 59.1451 30.2227 178.3394 20 A 4.1417 8.0289 119.9610 55.4438 18.0635 179.5701 21 R 3.8249 8.2269 116.6883 59.8828 28.7849 179.3146 22 M 3.9495 7.8594 118.0491 57.9151 31.5953 178.6788 23 R 4.0728 7.6684 118.6637 57.8568 30.7619 176.2713 24 T 4.6963 6.7200 109.5868 58.7531 70.1649 172.7635 25 P 4.4073 0.0000 0.0000 65.6357 31.1792 178.8761 26 G 3.7815 8.2744 105.9983 47.9772 0.0000 175.9781 27 G 3.7641 7.8777 109.3882 45.9928 0.0000 175.8874 28 R 3.8495 7.8962 120.7380 59.3432 30.0942 179.2183 29 K 3.9832 7.7823 117.9729 59.0243 31.9407 179.5582 30 V 3.5180 7.4989 118.3281 66.0694 31.4141 177.7025 31 L 3.9288 8.1227 119.0017 57.8972 41.4345 179.5842 32 K 3.8982 8.2233 119.4093 59.5988 32.1079 179.0915 33 R 3.8708 8.4268 118.5141 59.3429 30.0757 178.8914 34 R 3.9280 8.3348 118.3678 59.7107 30.0883 179.2116 35 R 3.9627 8.3482 117.6713 59.3733 29.9514 178.8980 36 Q 4.1102 8.0617 117.5291 58.2313 29.0741 177.4368 37 K 4.2095 8.2619 120.7234 57.8656 32.2999 177.3284 38 G 4.2299 7.6627 106.3673 45.3717 0.0000 173.8474 39 R 4.0826 7.7109 117.9447 55.9394 30.6970 177.3458 40 W 4.5054 8.7402 121.4328 59.9032 29.4768 177.2181 41 R 4.3698 7.9769 117.8648 55.3613 29.6791 176.8541 42 L 4.2935 8.6513 123.7671 56.9781 42.1544 177.0898 43 T 4.6288 7.6293 106.2522 59.4494 71.1341 171.3799 44 P 4.1819 0.0000 0.0000 63.3292 31.8997 175.9105 45 A 4.5685 8.2802 123.7829 51.1584 20.7592 177.5856 46 V 4.3009 7.8212 119.0482 61.8216 32.8887 176.3300 47 R 4.4189 8.5518 128.3975 56.0462 29.4545 177.0025 48 K 4.1546 8.5767 125.4736 56.6925 32.5114 175.4953 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 M 8.30 4.35 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 2 K 8.54 3.77 0.00 1.83 1.85 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.58 7.81 3 R 8.20 4.47 0.00 1.86 1.93 0.00 3.36 0.00 0.00 3.30 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 4 T 8.57 4.32 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 1.26 0.00 0.00 5 W 8.17 4.80 0.00 3.37 3.12 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 0.00 0.00 0.00 0.00 6 Q 7.41 4.24 0.00 1.80 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.76 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 7 P 0.00 3.42 0.00 1.94 1.99 0.00 3.46 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.81 0.00 8 N 7.83 4.49 0.00 2.62 2.44 0.00 0.00 7.04 7.65 0.00 0.00 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 R 8.37 4.05 0.00 1.90 1.97 0.00 3.22 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 10 R 8.00 3.86 0.00 1.86 1.93 0.00 3.19 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 11 K 8.10 4.18 0.00 1.86 1.96 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.56 7.81 12 R 7.82 3.91 0.00 2.08 2.11 0.00 3.41 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.93 0.00 13 A 8.30 4.04 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 14 K 8.92 3.88 0.00 1.64 1.90 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.61 7.81 15 T 8.10 4.19 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 1.25 0.00 0.00 16 H 7.92 4.79 0.00 3.22 3.31 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.71 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 18 F 8.81 4.15 0.00 3.18 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 19 R 8.25 4.15 0.00 1.90 2.06 0.00 3.67 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 20 A 8.03 4.14 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 21 R 8.23 3.82 0.00 1.58 2.02 0.00 3.26 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 22 M 7.86 3.95 0.00 1.96 2.14 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 2.31 1.86 0.00 23 R 7.67 4.07 0.00 2.00 2.09 0.00 3.19 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 24 T 6.72 4.70 4.23 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 1.19 0.00 0.00 25 P 0.00 4.41 0.00 2.29 2.29 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 26 G 8.27 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 3.85 0.00 2.01 1.95 0.00 3.10 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 1.57 1.87 0.00 29 K 7.78 3.98 0.00 1.88 1.84 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.58 7.81 30 V 7.50 3.52 2.23 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 0.95 0.00 0.00 0.97 0.00 0.00 31 L 8.12 3.93 0.00 1.94 1.67 0.85 0.30 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 32 K 8.22 3.90 0.00 1.96 1.85 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 33 R 8.43 3.87 0.00 2.00 1.95 0.00 3.21 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 34 R 8.33 3.93 0.00 2.00 2.05 0.00 3.30 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.03 0.00 35 R 8.35 3.96 0.00 2.07 2.00 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 36 Q 8.06 4.11 0.00 2.05 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 37 K 8.26 4.21 0.00 1.85 1.95 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 38 G 7.66 4.23 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 0.00 39 R 7.71 4.08 0.00 1.97 2.05 0.00 3.29 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 40 W 8.74 4.51 0.00 3.33 3.21 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 0.00 0.00 0.00 0.00 41 R 7.98 4.37 0.00 1.87 2.07 0.00 3.27 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 42 L 8.65 4.29 0.00 1.78 1.85 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.63 4.63 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 P 0.00 4.18 0.00 2.14 2.11 0.00 3.87 0.00 0.00 3.69 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 45 A 8.28 4.57 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 46 V 7.82 4.30 2.13 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 1.05 0.00 0.00 1.00 0.00 0.00 47 R 8.55 4.42 0.00 1.87 1.96 0.00 3.38 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 48 K 8.58 4.15 0.00 1.59 1.61 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.41 7.81