NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3309 8.3449 119.6873 55.2939 29.6311 175.0940 2 M 3.8487 7.5164 116.6621 52.6922 35.3402 174.8842 3 F 3.9514 6.5506 121.3912 55.2846 37.6803 176.4655 4 C 3.8632 8.5967 124.1589 57.2924 42.4747 173.3536 5 N 4.0768 8.1928 113.6144 53.1701 35.5749 173.3214 6 Q 4.4684 7.2967 114.4968 55.8789 31.4508 172.6354 7 T 3.6139 7.7491 104.5783 65.4762 68.5490 172.5670 8 A 5.1902 8.0355 121.3399 48.4147 22.7387 172.5654 9 C 4.9273 8.6550 117.3782 54.9282 43.1531 174.6393 10 P 5.1619 0.0000 0.0000 60.4838 34.4483 172.7746 11 A 5.4338 7.9021 117.2841 52.0304 19.0549 176.6202 12 D 4.6851 8.1481 116.9255 54.0836 41.4540 178.7836 13 C 4.4486 7.7098 112.4738 57.2222 37.0483 172.4263 14 D 4.5977 7.9009 121.9317 54.1437 41.3894 175.1723 15 P 4.7375 0.0000 0.0000 62.8383 31.7008 176.7192 16 N 4.8593 7.0853 114.7433 52.6800 39.5635 174.7678 17 T 4.1966 8.5301 122.2446 61.5771 69.8219 172.1764 18 Q 3.2502 7.5217 118.4355 56.8962 26.9687 173.8572 19 A 4.3819 7.7728 121.0204 53.9695 21.0001 178.6260 20 S 4.3076 7.8460 109.2206 59.7353 63.4081 175.3274 21 C 4.2910 9.2211 113.0975 56.3433 43.1834 173.6102 22 E 3.6953 8.8110 119.1390 57.0391 30.1106 177.2952 23 C 4.1114 8.0528 120.6710 54.9385 40.4889 170.9855 24 P 4.2868 0.0000 0.0000 62.9509 31.5561 177.0742 25 E 4.3089 8.5966 118.3792 53.4923 27.5575 175.6861 26 G 3.4035 8.2293 108.3671 45.1103 0.0000 172.2885 27 Y 3.9662 7.9949 122.4107 60.3671 38.9299 172.7446 28 I 3.2816 8.0298 125.9946 60.3031 37.7424 173.3564 29 L 4.2976 8.1119 128.4931 55.8120 42.0157 175.1938 30 D 4.3180 7.8525 113.9722 53.4999 44.3370 173.7835 31 D 4.5006 8.5463 122.1292 57.2416 38.2212 175.3962 32 G 3.3066 10.0743 115.2196 44.3482 0.0000 172.8302 33 F 3.6584 7.6643 117.9670 58.1334 36.8105 174.8378 34 I 4.3952 7.2519 121.1582 59.9549 37.1088 173.9259 35 C 4.9765 8.3178 123.9720 56.5869 44.5004 172.3347 36 T 4.9204 8.4040 119.1613 63.0960 70.2051 173.0679 37 D 4.5995 8.2963 119.3966 53.3718 41.9280 174.5278 38 I 4.6080 8.3677 110.0589 58.8696 39.1091 177.4218 39 D 5.1756 7.6537 130.4046 53.9810 41.0455 176.4489 40 E 4.5672 7.6947 120.3582 57.1860 28.9050 176.0482 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 Q 8.34 4.33 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 2 M 7.52 3.85 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 3 F 6.55 3.95 0.00 1.98 1.45 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 0.00 4 C 8.60 3.86 0.00 3.20 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.19 4.08 0.00 2.86 2.89 0.00 0.00 6.85 7.64 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 6 Q 7.30 4.47 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.89 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 7 T 7.75 3.61 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 8 A 8.04 5.19 1.26 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 0.00 0.00 0.00 9 C 8.66 4.93 0.00 2.93 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.16 0.00 2.07 1.98 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 11 A 7.90 5.43 1.36 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 12 D 8.15 4.69 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.71 4.45 0.00 3.05 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 4.60 0.00 2.75 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.74 0.00 2.16 2.11 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 16 N 7.09 4.86 0.00 2.67 2.78 0.00 0.00 6.91 7.53 0.00 0.00 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 T 8.53 4.20 4.20 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 1.17 0.00 0.00 18 Q 7.52 3.25 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 19 A 7.77 4.38 1.23 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 0.00 0.00 20 S 7.85 4.31 0.00 4.25 4.07 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 21 C 9.22 4.29 0.00 3.23 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 22 E 8.81 3.70 0.00 2.12 2.19 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 2.65 2.47 0.00 23 C 8.05 4.11 0.00 3.28 3.31 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 0.00 0.00 0.00 0.00 24 P 0.00 4.29 0.00 2.18 2.12 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 2.05 0.00 25 E 8.60 4.31 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 26 G 8.23 3.40 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 0.00 0.00 0.00 27 Y 7.99 3.97 0.00 3.02 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.03 3.28 1.82 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 1.38 0.64 0.81 0.00 0.00 29 L 8.11 4.30 0.00 1.64 1.54 1.03 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.85 4.32 0.00 2.62 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.55 4.50 0.00 2.79 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 10.07 3.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.66 3.66 0.00 3.29 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 34 I 7.25 4.40 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.24 1.02 0.00 0.00 35 C 8.32 4.98 0.00 3.28 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.40 4.92 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 37 D 8.30 4.60 0.00 1.58 2.23 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 38 I 8.37 4.61 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 1.44 0.84 0.95 0.00 0.00 39 D 7.65 5.18 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.69 4.57 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00