NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.8144 8.4449 117.8210 56.6391 30.4356 173.1281 2 M 4.1909 8.0270 118.4838 55.9491 34.4628 176.2638 3 G 4.0942 8.8531 102.7473 46.1317 0.0000 172.3551 4 H 4.8742 8.4504 113.3417 54.8395 30.8368 173.7014 5 I 4.5809 7.5645 119.6763 59.8320 39.6782 175.0937 6 Q 4.5208 8.1618 122.0244 55.2772 28.8778 176.5967 7 I 4.3639 7.4407 118.1234 58.5970 39.1435 173.2562 8 P 4.3682 0.0000 0.0000 61.4292 31.0596 175.0102 9 P 4.3196 0.0000 0.0000 63.3182 31.7349 176.9794 10 G 3.9674 8.6859 107.3179 46.5613 0.0000 174.9371 11 L 4.2987 7.5780 122.2925 58.2637 42.2515 178.0742 12 T 3.8839 8.0057 115.2818 65.9852 68.2869 175.4745 13 E 3.8969 8.1727 120.0052 60.0959 29.5952 179.0393 14 L 4.0164 7.3234 118.1624 58.3479 42.2074 179.2464 15 L 4.2174 8.2881 118.1162 58.3449 41.6143 179.0758 16 Q 4.0191 8.8232 119.3441 59.5592 28.7823 178.9967 17 G 4.0167 8.3356 106.1694 48.5600 0.0000 174.0897 18 Y 4.1742 7.9540 121.5796 61.2822 38.3366 178.4065 19 T 3.7982 8.0235 116.1652 66.9839 68.4503 176.6702 20 V 3.6254 7.8703 119.0595 65.4670 31.8860 177.1819 21 E 4.1611 8.3931 119.0100 58.4030 29.7369 178.3676 22 V 2.7833 7.1748 117.7596 65.8103 31.1104 178.0114 23A L 4.0118 7.3268 117.7830 56.9590 41.7109 178.3045 24 R 4.2789 7.4380 115.0094 57.2412 29.9063 177.3283 25 Q 4.2455 7.8622 113.0373 59.1791 29.7969 176.7906 26 Q 3.7347 7.2899 115.4103 58.4450 24.7125 174.3597 27 P 4.3776 0.0000 0.0000 61.3505 32.1700 176.2680 28 P 4.4640 0.0000 0.0000 64.4693 31.6076 176.1123 29 D 4.4453 7.3627 115.6655 52.6455 44.9328 175.9417 30 L 4.2204 8.3875 125.7574 58.1632 42.4123 179.0886 31 V 3.5595 7.7054 116.7849 66.5224 31.6742 177.3544 32 D 4.4128 8.1901 116.9019 57.5011 41.1556 178.1912 33 F 4.1149 8.1522 120.8854 61.1318 39.3353 177.0224 34 A 4.8205 9.4661 122.8027 54.7223 18.1875 179.8505 35 V 3.6821 8.0921 116.8629 66.0677 31.6311 178.2259 36 E 3.8853 8.4197 118.5046 59.5271 29.4137 178.4508 37 Y 3.7500 7.7037 119.6027 60.6991 38.5963 178.4273 38 F 4.0343 7.9070 118.2788 61.0433 38.9126 177.6126 39 T 3.8807 7.9701 114.2772 67.1548 68.4759 176.2305 40 R 4.0432 7.9210 119.5118 58.7753 30.2213 178.3335 41 L 3.6998 7.5240 120.1952 58.5620 41.6019 179.3736 42 R 3.9674 7.5843 117.0686 58.4293 30.1689 177.7916 43 E 4.5017 8.5236 116.2980 56.1972 29.5753 177.4104 44 A 3.7607 7.9032 121.1079 55.6326 18.9412 179.7702 45 R 3.8405 7.6939 115.5448 59.0200 30.9654 176.5081 46 R 4.0568 8.0515 122.1582 56.8034 29.9462 175.6069 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 H 8.44 4.81 0.00 3.19 3.36 0.00 5.61 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 M 8.03 4.19 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 3 G 8.85 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 0.00 0.00 0.00 4 H 8.45 4.87 0.00 3.09 3.29 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.56 4.58 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.86 0.91 0.00 0.00 6 Q 8.16 4.52 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 7 I 7.44 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 1.47 1.05 0.91 0.00 0.00 8 P 0.00 4.37 0.00 2.16 2.08 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 9 P 0.00 4.32 0.00 2.24 2.21 0.00 3.82 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 10 G 8.69 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.58 4.30 0.00 1.67 1.80 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.01 3.88 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 1.23 0.00 0.00 13 E 8.17 3.90 0.00 2.10 2.01 0.00 0.00 0.00 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 2.55 0.00 14 L 7.32 4.02 0.00 2.16 1.83 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.29 4.22 0.00 2.00 1.81 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.82 4.02 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 17 G 8.34 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 18 Y 7.95 4.17 0.00 3.19 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 19 T 8.02 3.80 4.40 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 1.21 0.00 0.00 20 V 7.87 3.63 2.27 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 0.82 0.00 0.00 0.99 0.00 0.00 21 E 8.39 4.16 0.00 1.86 1.89 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 2.27 2.25 0.00 22 V 7.17 2.78 1.69 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 0.69 0.00 0.00 0.05 0.00 0.00 23A L 7.33 4.01 0.00 1.97 1.60 0.86 0.60 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 24 R 7.44 4.28 0.00 2.09 1.89 0.00 3.32 0.00 0.00 3.39 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 25 Q 7.86 4.25 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.63 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 26 Q 7.29 3.73 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.03 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 27 P 0.00 4.38 0.00 2.18 1.81 0.00 3.31 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.44 0.00 28 P 0.00 4.46 0.00 2.20 2.20 0.00 3.80 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 2.01 1.99 0.00 29 D 7.36 4.45 0.00 2.81 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 30 L 8.39 4.22 0.00 1.77 1.72 0.79 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.71 3.56 2.16 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 0.99 0.00 0.00 1.00 0.00 0.00 32 D 8.19 4.41 0.00 2.82 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 33 F 8.15 4.11 0.00 3.27 3.18 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 34 A 9.47 4.82 1.78 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 35 V 8.09 3.68 2.31 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 1.12 0.00 0.00 1.01 0.00 0.00 36 E 8.42 3.89 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 37 Y 7.70 3.75 0.00 2.05 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 0.00 0.00 0.00 0.00 38 F 7.91 4.03 0.00 3.44 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.97 3.88 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 40 R 7.92 4.04 0.00 1.96 1.86 0.00 3.17 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 41 L 7.52 3.70 0.00 1.42 1.81 0.84 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.58 3.97 0.00 1.92 1.96 0.00 3.21 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 43 E 8.52 4.50 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 44 A 7.90 3.76 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 45 R 7.69 3.84 0.00 1.76 1.97 0.00 3.31 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 46 R 8.05 4.06 0.00 1.74 1.95 0.00 3.33 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00