NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4097 8.3044 120.3261 55.4681 33.6336 176.0270 2 E 4.1195 8.4490 126.0929 54.5102 28.0820 170.1791 3 V 4.0144 7.4380 115.5361 59.6431 34.5428 175.2970 4 N 4.4592 8.4176 120.0627 53.5922 39.0712 175.9825 5 Q 4.0800 8.7214 124.8832 58.4756 29.2555 176.9658 6 L 4.4415 8.1679 116.7258 54.7677 42.3774 178.7303 7 G 3.5919 8.1413 107.8638 47.7973 0.0000 175.8449 8 L 4.0128 7.9757 122.2137 57.3184 41.9951 178.7560 9 I 3.9510 7.6111 118.8729 63.6881 37.4868 177.5400 10 A 4.1238 8.4333 121.8519 55.5029 17.5302 179.7728 11 T 4.0280 8.1504 113.7858 66.2300 68.8056 177.0730 12 A 4.0516 7.7032 122.6528 55.2844 18.3384 179.7465 13 L 3.9557 8.3726 117.7855 57.9445 41.5879 179.4144 14 F 4.1140 7.8233 118.6958 60.7625 39.4685 175.9300 15 V 3.9811 7.3892 116.0624 65.4871 32.0280 176.9061 16 L 3.8414 8.4749 117.5272 58.7418 41.5667 180.0647 17 V 3.2054 8.1974 114.4844 66.4404 32.1285 176.6145 18 P 4.2966 0.0000 0.0000 65.9363 31.7137 178.5499 19 S 4.0938 8.0109 112.9415 61.2113 62.1850 176.3857 20 V 3.6412 8.6275 121.5452 65.6033 31.2680 177.5081 21 F 4.1642 8.1993 120.6131 61.5420 39.0727 177.3002 22 L 3.7072 7.9641 117.9911 57.7743 41.4792 179.3457 23 I 3.6953 7.4924 119.3169 64.5946 36.9423 178.1877 24 I 3.6334 8.0855 120.7797 64.5199 36.7349 177.9314 25 L 3.7886 7.2043 118.2023 58.4505 41.7841 178.5693 26 Y 4.1415 8.1272 118.6162 61.2843 38.7354 178.5986 27 V 3.4028 8.1961 118.6169 66.0904 31.5585 178.1577 28 Q 4.1382 8.0163 116.9917 58.3054 28.4310 178.5749 29 T 4.1414 7.6160 119.8280 66.0242 68.5495 176.2549 30 E 3.7738 7.7751 120.1698 59.6116 29.5978 179.2752 31 S 4.7164 7.7245 113.2244 59.4521 62.8566 175.1966 32 Q 4.4240 8.0678 121.6942 56.7158 28.5603 176.2315 33 Q 4.2014 7.7171 123.0452 56.3505 29.3676 177.3648 34 K 3.5494 8.5449 115.6900 55.4056 30.8921 177.4542 35 S 3.9356 8.3697 112.0556 60.2417 62.5234 174.1848 36 S 4.0611 8.7221 121.0557 58.8753 63.0673 171.1420 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 4.41 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 E 8.45 4.12 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 3 V 7.44 4.01 2.07 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 0.72 0.00 0.00 0.93 0.00 0.00 4 N 8.42 4.46 0.00 2.71 2.68 0.00 0.00 6.88 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 5 Q 8.72 4.08 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 6 L 8.17 4.44 0.00 1.73 1.68 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.14 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.98 4.01 0.00 1.77 1.69 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.61 3.95 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 1.58 0.36 0.93 0.00 0.00 10 A 8.43 4.12 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 11 T 8.15 4.03 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 1.26 0.00 0.00 12 A 7.70 4.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 3.96 0.00 1.73 1.77 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.82 4.11 0.00 3.15 3.30 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 15 V 7.39 3.98 2.26 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 1.01 0.00 0.00 1.12 0.00 0.00 16 L 8.47 3.84 0.00 1.75 1.63 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.20 3.21 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 1.02 0.00 0.00 0.94 0.00 0.00 18 P 0.00 4.30 0.00 2.19 2.13 0.00 3.87 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.69 0.00 19 S 8.01 4.09 0.00 4.03 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 20 V 8.63 3.64 2.32 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 1.01 0.00 0.00 0.94 0.00 0.00 21 F 8.20 4.16 0.00 3.15 3.22 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 22 L 7.96 3.71 0.00 1.91 1.66 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.49 3.70 1.99 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 1.48 1.02 0.93 0.00 0.00 24 I 8.09 3.63 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.90 0.86 0.00 0.00 25 L 7.20 3.79 0.00 1.52 1.59 0.48 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.13 4.14 0.00 3.02 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 27 V 8.20 3.40 2.10 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 0.98 0.00 0.00 1.10 0.00 0.00 28 Q 8.02 4.14 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.55 0.00 29 T 7.62 4.14 4.24 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 1.08 0.00 0.00 30 E 7.78 3.77 0.00 1.89 1.86 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 1.52 1.95 0.00 31 S 7.72 4.72 0.00 4.04 4.16 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 32 Q 8.07 4.42 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 33 Q 7.72 4.20 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 5.92 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 34 K 8.54 3.55 0.00 1.94 1.75 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.27 0.97 7.81 35 S 8.37 3.94 0.00 3.77 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.72 4.06 0.00 4.03 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00