NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4625 8.3044 120.3274 55.2880 33.0122 173.8624 2 I 4.3093 8.2108 121.3782 59.8553 41.2820 173.8595 3 N 4.3666 8.7883 123.4137 53.1279 40.0838 173.3266 4 L 5.0420 8.0030 122.5463 53.2253 40.6719 171.1935 5 P 4.6812 0.0000 0.0000 63.3155 31.5225 178.2328 6 S 3.8902 8.2392 116.1465 62.4015 63.4283 177.2398 7 L 3.7716 7.4668 121.3793 57.6220 43.1572 178.3212 8 F 4.2665 8.9382 118.3013 60.5601 38.9945 177.6068 9 V 3.6630 7.8091 117.6045 65.8635 31.3398 175.8988 10 P 4.5550 0.0000 0.0000 63.2017 31.0923 176.4395 11 L 4.4862 8.3037 120.0292 54.9688 42.9184 178.6219 12 V 3.5811 7.5034 123.7755 63.9124 32.8427 176.9138 13 G 4.0294 7.9677 106.5297 45.2287 0.0000 173.9013 14 L 4.4274 8.5275 119.8615 56.3352 43.3811 177.0947 15 L 4.4063 7.5289 118.3448 57.6946 42.7654 177.6914 16 F 3.7210 8.0587 117.3929 61.5772 39.7323 175.1993 17 P 4.2591 0.0000 0.0000 65.2322 30.4606 178.3481 18 A 3.9631 8.0925 119.3659 55.1022 18.0051 179.0494 19 V 3.8648 8.1588 115.3070 64.2399 31.8708 177.8389 20 A 3.7714 7.7467 121.5007 55.3187 18.1536 178.7564 21 M 4.2384 7.7882 113.2965 57.1072 32.3855 177.3843 22 A 4.2448 7.0709 116.8269 55.5549 19.3207 179.3140 23 S 4.3381 8.4603 112.8649 60.2111 62.5044 175.2400 24 L 4.4947 7.7267 122.3442 54.4677 41.3121 178.0969 25 F 4.5868 8.0320 121.0387 58.8944 40.2736 175.6568 26 L 3.4708 7.0949 118.6697 55.3363 39.0398 172.9355 27 H 3.9102 7.5371 115.0825 58.3210 32.7998 177.4226 28 V 3.1966 7.7286 107.4261 65.2161 31.3071 177.7836 29 E 4.3039 9.3838 111.6946 58.0826 29.9699 177.0759 30 K 5.0027 8.0903 125.9698 58.3711 32.0108 175.0762 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 4.46 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 2 I 8.21 4.31 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.99 0.91 0.00 0.00 3 N 8.79 4.37 0.00 2.78 3.10 0.00 0.00 7.10 7.78 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 4 L 8.00 5.04 0.00 1.97 1.91 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.68 0.00 2.03 2.15 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.83 0.00 6 S 8.24 3.89 0.00 3.91 3.89 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 7 L 7.47 3.77 0.00 1.76 1.95 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.94 4.27 0.00 3.00 3.09 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 9 V 7.81 3.66 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 1.06 0.00 0.00 0.97 0.00 0.00 10 P 0.00 4.56 0.00 2.23 2.08 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 11 L 8.30 4.49 0.00 1.92 1.36 0.95 0.85 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 12 V 7.50 3.58 2.03 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 0.87 0.00 0.00 0.77 0.00 0.00 13 G 7.97 4.03 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 14 L 8.53 4.43 0.00 1.55 1.84 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.53 4.41 0.00 1.75 1.63 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.06 3.72 0.00 3.08 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 17 P 0.00 4.26 0.00 2.30 2.28 0.00 3.93 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 18 A 8.09 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 3.86 1.93 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 0.98 0.00 0.00 0.89 0.00 0.00 20 A 7.75 3.77 1.13 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 0.00 0.00 21 M 7.79 4.24 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 22 A 7.07 4.24 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 23 S 8.46 4.34 0.00 3.82 3.89 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 24 L 7.73 4.49 0.00 1.81 1.77 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.03 4.59 0.00 3.14 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 26 L 7.09 3.47 0.00 1.75 1.90 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 27 H 7.54 3.91 0.00 3.35 3.24 0.00 5.79 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.73 3.20 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 0.84 0.00 0.00 0.91 0.00 0.00 29 E 9.38 4.30 0.00 1.98 1.90 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 1.98 1.76 0.00 30 K 8.09 5.00 0.00 1.80 1.66 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.38 7.81