NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.6888 8.0027 118.9183 56.6002 38.4747 176.5897 2 K 3.5217 8.6127 123.9536 59.1450 32.5828 177.5831 3 Q 3.9529 8.7942 120.1427 59.3952 30.1522 177.9906 4 C 4.2521 8.0351 117.0886 60.3066 40.0880 175.4793 5 H 3.9764 7.7163 117.9024 58.7037 29.4494 177.1410 6 K 4.1065 7.3124 120.2866 59.3470 32.1857 178.8313 7 K 4.1960 7.3614 117.4395 59.8689 33.5263 175.8223 8 G 3.0279 6.6899 107.1199 43.6221 0.0000 171.8128 9 G 4.2223 6.9359 107.3458 44.1934 0.0000 170.8668 10 H 4.9681 8.3109 116.0092 53.7960 33.3212 173.5963 11 C 4.9710 8.5002 119.4026 56.9133 41.6618 173.1199 12 F 4.9084 9.1396 121.3410 54.7782 43.3035 172.5991 13 P 4.2658 0.0000 0.0000 62.3790 31.8077 177.6499 14 K 3.9483 8.4653 121.7700 59.4503 32.5524 177.9887 15 E 4.2136 7.9670 116.1945 57.5506 30.3931 176.8900 16 K 4.1820 7.3025 118.5604 55.4713 32.8651 176.5892 17 I 3.8136 7.9268 122.3739 61.2560 37.8179 176.1189 18 C 4.6201 8.4989 124.5564 54.4310 45.4751 172.2342 19 L 4.7623 8.0720 127.2424 52.3472 43.6006 174.2705 20 P 4.5247 0.0000 0.0000 61.9047 32.2355 174.5754 21 P 4.6841 0.0000 0.0000 64.3891 32.4419 177.1948 22 S 4.4075 7.5999 114.8113 55.5110 60.9116 175.1304 23 S 4.4984 7.2588 115.0762 58.0718 64.7259 174.9137 24 D 4.9420 8.1844 124.2950 52.1721 42.0823 174.9554 25 F 4.9179 9.1918 120.6400 55.4378 41.1520 177.8631 26 G 4.3608 8.6973 112.7121 46.0317 0.0000 176.9457 27 K 4.8220 8.7131 120.0009 55.7533 30.7585 176.1850 28 M 4.1756 7.8272 126.0557 58.3894 32.9300 177.8721 29 D 4.8371 7.5338 117.2560 53.1306 41.8017 174.5929 30 C 4.8016 7.8077 114.5147 55.8485 43.9957 173.4750 31 R 4.2354 8.1362 117.1354 55.2053 30.6308 176.8635 32 W 4.3475 8.7343 126.9405 61.0797 30.6143 177.3018 33 R 4.0264 8.0712 114.9611 56.9619 29.9977 175.8546 34 W 5.3959 7.5776 117.0517 54.8966 31.6877 175.4479 35 K 4.9623 9.0374 120.5476 55.5985 36.3737 174.3167 36 C 5.0547 8.7860 119.4952 56.2540 39.3883 172.7925 37 C 4.9096 9.0996 124.4852 56.2237 44.9995 171.7667 38 K 4.7544 8.6269 125.2362 54.8131 33.1215 174.5911 39 K 4.5388 9.2443 126.4314 58.3888 37.0720 175.6291 40 G 3.5432 8.1260 113.3952 44.8747 0.0000 174.6234 41 S 4.3578 7.6613 116.9762 56.3857 61.9756 174.2156 42 G 4.0971 7.8154 113.4742 46.6446 0.0000 171.7845 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 Y 8.00 4.69 0.00 3.10 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.61 3.52 0.00 1.55 1.82 0.00 1.27 0.00 0.00 1.33 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.36 7.81 3 Q 8.79 3.95 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 4 C 8.04 4.25 0.00 3.01 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.72 3.98 0.00 3.43 3.51 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.31 4.11 0.00 1.84 1.92 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.48 7.81 7 K 7.36 4.20 0.00 1.65 1.86 0.00 1.21 0.00 0.00 1.41 0.00 0.00 3.03 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.40 1.33 7.81 8 G 6.69 3.03 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 0.00 0.00 0.00 0.00 0.00 0.00 9 G 6.94 4.22 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 0.00 0.00 0.00 10 H 8.31 4.97 0.00 2.65 2.65 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.50 4.97 0.00 2.88 3.16 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 0.00 0.00 0.00 0.00 12 F 9.14 4.91 0.00 2.78 2.58 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 13 P 0.00 4.27 0.00 1.85 1.73 0.00 3.33 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.61 0.00 14 K 8.47 3.95 0.00 1.79 2.15 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.53 7.81 15 E 7.97 4.21 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 16 K 7.30 4.18 0.00 1.56 1.59 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.41 7.81 17 I 7.93 3.81 1.74 0.00 0.00 0.80 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 0.38 0.82 0.00 0.00 18 C 8.50 4.62 0.00 2.89 2.86 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 19 L 8.07 4.76 0.00 1.50 1.44 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.52 0.00 2.19 2.01 0.00 3.80 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 1.96 1.93 0.00 21 P 0.00 4.68 0.00 2.16 2.17 0.00 3.33 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 22 S 7.60 4.41 0.00 3.82 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.26 4.50 0.00 3.77 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 24 D 8.18 4.94 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 9.19 4.92 0.00 3.05 2.84 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 26 G 8.70 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.71 4.82 0.00 1.94 1.89 0.00 1.78 0.00 0.00 1.90 0.00 0.00 3.14 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.44 1.52 7.81 28 M 7.83 4.18 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.32 0.00 29 D 7.53 4.84 0.00 2.50 2.54 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 0.00 0.00 0.00 0.00 30 C 7.81 4.80 0.00 3.06 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 31 R 8.14 4.24 0.00 1.84 1.84 0.00 2.21 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.21 0.00 32 W 8.73 4.35 0.00 3.27 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 33 R 8.07 4.03 0.00 2.03 2.12 0.00 3.35 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.74 0.00 34 W 7.58 5.40 0.00 3.16 3.02 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 35 K 9.04 4.96 0.00 2.04 1.86 0.00 1.45 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.47 7.81 36 C 8.79 5.05 0.00 3.06 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 37 C 9.10 4.91 0.00 3.30 3.19 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 38 K 8.63 4.75 0.00 0.80 1.31 0.00 1.49 0.00 0.00 0.61 0.00 0.00 2.69 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.10 0.97 7.81 39 K 9.24 4.54 0.00 1.84 1.82 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.40 1.42 7.81 40 G 8.13 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.66 4.36 0.00 4.00 3.93 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 42 G 7.82 4.10 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 0.00 0.00 0.00