NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9023 8.3544 109.7371 45.3860 0.0000 173.3332 2 C 4.3201 8.2587 119.6982 54.5264 44.1322 171.5051 3 P 4.4260 0.0000 0.0000 63.6234 32.3446 175.5768 4 R 4.5218 8.3117 118.7397 56.0208 30.2857 176.7159 5 I 3.8305 7.5251 119.4731 61.1395 37.5840 175.6922 6 L 4.3202 8.4160 125.2441 54.5399 42.0281 176.4203 7 I 4.7056 8.3965 123.9339 59.4268 40.7855 175.2788 8 R 4.2101 8.6896 126.4845 56.3880 30.7238 174.8438 9 C 4.8418 8.5187 115.4457 54.5367 44.4306 173.7179 10 K 4.2385 9.4202 119.4868 57.1508 33.8836 176.5342 11 Q 4.6741 7.7565 115.2782 53.6262 33.1618 175.4443 12 D 4.4160 8.7863 119.0933 57.7466 40.8613 179.3727 13 S 4.3026 7.9568 111.4706 60.3935 63.1751 174.9409 14 D 4.4020 8.0422 120.7624 56.5022 40.6546 175.5875 15 C 4.7538 7.7215 116.1320 54.8471 38.7812 172.9935 16 L 4.2629 8.0278 120.8469 53.7065 42.1362 176.5327 17 A 3.9383 8.2512 122.9304 54.1633 18.4301 178.1443 18 G 3.9905 9.1588 110.8671 45.0779 0.0000 173.5874 19 C 5.2809 7.5113 116.2116 55.2210 41.8897 173.3624 20 V 4.5178 8.6899 114.2163 59.5374 35.8068 173.8267 21 C 4.8037 9.7010 122.9819 55.4903 44.1966 173.8543 22 G 3.9919 9.0456 116.6545 44.2037 0.0000 172.0506 23 P 4.3199 0.0000 0.0000 64.6350 31.4247 176.9746 24 N 4.5489 8.1983 115.2211 53.2199 37.8741 175.5598 25 G 3.7910 8.6493 108.0927 45.9890 0.0000 172.7943 26 F 5.2545 8.0635 117.1311 54.9695 42.8182 174.1865 27 C 4.8675 9.0354 119.9180 57.5026 39.1072 173.3551 28 G 4.2487 9.1260 109.7058 45.2133 0.0000 172.5217 29 S 4.6945 8.5699 116.0790 57.6886 63.3778 173.6205 30 P 4.5613 0.0000 0.0000 63.3507 31.3758 176.2286 31 A 4.1569 7.5303 126.7425 52.7781 18.2446 177.5761 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 G 8.35 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.26 4.32 0.00 3.12 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.43 0.00 2.09 2.00 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 4 R 8.31 4.52 0.00 1.78 1.92 0.00 3.20 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 5 I 7.53 3.83 1.89 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 1.42 0.47 0.94 0.00 0.00 6 L 8.42 4.32 0.00 1.70 1.78 0.55 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.40 4.71 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.96 0.92 0.00 0.00 8 R 8.69 4.21 0.00 1.52 1.57 0.00 3.09 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.31 0.00 9 C 8.52 4.84 0.00 3.05 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 10 K 9.42 4.24 0.00 1.79 1.84 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.32 7.81 11 Q 7.76 4.67 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 12 D 8.79 4.42 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.96 4.30 0.00 3.97 3.99 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 14 D 8.04 4.40 0.00 2.81 2.76 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 15 C 7.72 4.75 0.00 3.09 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 16 L 8.03 4.26 0.00 1.72 1.61 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.25 3.94 1.25 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 18 G 9.16 3.99 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 0.00 0.00 0.00 19 C 7.51 5.28 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.69 4.52 2.24 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 0.73 0.00 0.00 1.01 0.00 0.00 21 C 9.70 4.80 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.05 3.99 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 0.00 0.00 0.00 23 P 0.00 4.32 0.00 2.21 2.21 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 24 N 8.20 4.55 0.00 3.02 3.06 0.00 0.00 6.12 7.00 0.00 0.00 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 G 8.65 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 5.25 0.00 3.25 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 27 C 9.04 4.87 0.00 2.92 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.13 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 29 S 8.57 4.69 0.00 3.91 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.56 0.00 2.18 2.16 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 31 A 7.53 4.16 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