NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5397 8.3049 118.3349 54.6888 32.7322 175.2525 2 K 3.9930 8.3983 121.7756 56.4054 32.8203 172.6190 3 V 3.8465 8.0205 114.8661 62.7436 34.5628 177.5236 4 R 3.1345 7.6178 110.0884 56.2746 30.8421 175.9409 5 A 4.0937 8.5070 126.0477 55.0080 18.7178 178.4831 6 S 4.6830 7.7500 108.5191 57.5410 64.7484 173.1953 7 V 4.2051 8.1923 113.1455 62.9444 33.5990 174.9220 8 K 3.7097 7.8677 121.1864 55.6751 31.4669 175.2151 9 K 4.4933 8.2409 119.2027 55.9150 33.2584 176.8936 10 L 4.6580 8.3965 117.6752 54.6212 43.9973 175.3819 11 C 5.1303 7.8745 111.5762 52.8924 44.4923 174.4489 12 R 3.9283 8.4582 114.8689 57.6985 29.2779 176.7820 13 N 4.6991 7.8240 114.7627 53.5902 39.5603 175.0782 14 C 4.9692 7.2354 114.8032 59.9482 28.6306 173.9931 15 K 4.3155 8.5117 119.3885 58.5671 33.4036 177.8857 16 I 3.4007 7.2968 116.0271 61.7505 34.1931 174.3233 17 V 4.2760 8.2434 127.9580 60.7867 34.3537 174.2301 18 K 4.7850 8.6508 128.2399 55.3271 31.8608 175.4109 19 R 4.6826 8.3857 126.1066 55.4792 33.4985 176.2163 20 D 4.4182 8.7038 122.1698 55.7885 39.7313 174.8278 21 G 4.1896 9.0538 112.8815 45.8648 0.0000 171.9599 22 V 4.4556 8.0781 119.6684 60.6243 34.7668 174.4764 23 I 4.5692 8.3532 128.3451 61.2610 38.7911 175.1565 24 R 5.0218 9.1722 124.7160 54.7445 35.4858 173.9879 25 V 4.5963 8.2973 118.8479 62.0147 34.8955 173.8242 26 I 4.7485 8.4761 128.6823 59.6289 39.7150 174.9321 27 C 5.3819 8.5856 126.7886 54.7340 45.0559 173.7584 28 S 4.1063 8.9857 121.2686 61.1995 62.8285 175.0102 29 A 3.7879 7.6058 122.3555 52.4419 18.2048 176.2393 30 E 4.5561 8.0157 114.4203 52.4570 31.9493 175.1992 31 P 4.2830 0.0000 0.0000 65.4534 31.7181 178.5524 32 K 3.8502 8.2001 116.8859 59.3297 31.9629 176.6031 33 H 4.9404 7.7636 112.8923 55.1265 28.9238 174.8922 34 K 4.8280 8.0699 121.9499 57.2769 33.1646 175.5817 35 Q 4.8117 8.5001 123.8050 54.8293 33.8081 173.7932 36 R 4.5884 8.4643 120.2763 56.2446 33.4609 174.5455 37 Q 3.0698 8.4493 113.2104 57.4664 26.8580 174.8350 38 G 3.7601 8.0448 112.6784 45.6519 0.0000 171.7489 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 4.54 0.00 2.04 2.24 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 2.59 0.00 2 K 8.40 3.99 0.00 1.84 1.77 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.48 7.81 3 V 8.02 3.85 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 0.76 0.00 0.00 0.93 0.00 0.00 4 R 7.62 3.13 0.00 1.99 2.26 0.00 3.03 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.91 0.00 5 A 8.51 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.75 4.68 0.00 3.98 3.86 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 0.00 0.00 0.00 7 V 8.19 4.21 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 0.83 0.00 0.00 0.93 0.00 0.00 8 K 7.87 3.71 0.00 1.89 1.79 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.44 7.81 9 K 8.24 4.49 0.00 1.73 1.75 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.52 7.81 10 L 8.40 4.66 0.00 1.74 1.61 0.80 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.87 5.13 0.00 3.07 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 12 R 8.46 3.93 0.00 1.94 2.10 0.00 3.02 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 13 N 7.82 4.70 0.00 2.70 2.88 0.00 0.00 6.98 7.66 0.00 0.00 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 C 7.24 4.97 0.00 3.10 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 15 K 8.51 4.32 0.00 1.82 1.73 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.61 7.81 16 I 7.30 3.40 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 1.30 0.68 0.91 0.00 0.00 17 V 8.24 4.28 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 0.91 0.00 0.00 1.01 0.00 0.00 18 K 8.65 4.79 0.00 1.75 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.45 7.81 19 R 8.39 4.68 0.00 1.91 1.79 0.00 3.33 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 20 D 8.70 4.42 0.00 2.81 1.84 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 21 G 9.05 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.08 4.46 2.18 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 0.97 0.00 0.00 0.93 0.00 0.00 23 I 8.35 4.57 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 0.63 0.91 0.00 0.00 24 R 9.17 5.02 0.00 1.76 1.85 0.00 3.22 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 25 V 8.30 4.60 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 0.99 0.00 0.00 0.98 0.00 0.00 26 I 8.48 4.75 1.86 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 1.23 0.89 0.90 0.00 0.00 27 C 8.59 5.38 0.00 2.86 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 28 S 8.99 4.11 0.00 4.00 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 29 A 7.61 3.79 1.21 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 0.00 0.00 30 E 8.02 4.56 0.00 2.01 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 31 P 0.00 4.28 0.00 2.22 2.08 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 32 K 8.20 3.85 0.00 1.84 1.95 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.65 7.81 33 H 7.76 4.94 0.00 3.22 3.30 0.00 5.56 0.00 0.00 0.00 0.00 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.07 4.83 0.00 1.86 1.72 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.41 7.81 35 Q 8.50 4.81 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.36 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 36 R 8.46 4.59 0.00 1.76 1.79 0.00 3.34 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 37 Q 8.45 3.07 0.00 2.13 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 38 G 8.04 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