NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4288 8.2993 122.0649 57.0136 33.3326 174.4535 4 C 4.5272 7.9935 119.3372 55.3351 42.6533 171.0396 5 T 4.4175 8.8815 118.0974 61.5036 70.5566 173.7456 6 P 3.9488 0.0000 0.0000 63.8778 31.7685 174.7180 7 G 3.8567 8.2958 115.7366 45.8805 0.0000 174.5052 8 Q 4.2007 7.8728 119.7381 55.8926 29.9893 175.7558 9 V 5.1970 8.4522 121.3803 60.7789 33.4993 174.5581 10 K 4.4850 8.6074 130.5860 55.2490 35.1809 174.4129 11 Q 4.8053 7.9406 118.6320 54.6568 32.0042 176.4135 12 Q 4.1423 8.7062 125.9980 55.3529 30.3928 174.5741 13 D 4.5463 8.8370 118.1053 58.1461 40.9880 178.7324 14 C 4.9496 7.8692 109.4898 55.1652 40.2090 172.7384 15 N 5.2281 8.0844 116.4179 52.5003 42.2902 173.3607 16 T 4.7481 8.0577 116.9915 62.6398 70.7176 173.2481 17 C 5.6541 8.9955 123.0985 55.3162 44.0233 173.3205 18 T 4.9080 8.6913 112.2912 59.7466 70.9467 172.7048 19 C 4.1281 9.0761 128.3596 56.6360 40.3133 173.5766 20 T 4.3885 8.3115 116.8802 60.5698 69.1015 173.5788 21 P 4.3522 0.0000 0.0000 65.9079 31.3442 177.2993 22 T 4.2349 7.4098 106.4893 60.7547 69.1272 174.8452 23 G 3.8190 8.4563 109.7827 47.1240 0.0000 173.9809 24 V 4.5876 6.9339 109.7108 58.7445 36.6570 176.4752 25 W 4.6723 9.0038 124.1169 57.0178 29.4016 176.0101 26 G 4.1148 8.9471 113.8127 44.9793 0.0000 171.6904 27 C 6.2660 8.9118 122.9466 53.6936 43.6596 174.0880 28 T 4.2699 8.4209 110.2232 61.3231 69.5629 174.2786 29 L 4.6861 8.0690 120.8890 54.6757 42.4611 176.8226 30 M 4.2388 7.3412 118.2679 55.1476 32.9706 175.2070 31 G 3.9204 8.3888 111.3206 44.3356 0.0000 173.8849 32 C 4.7435 8.5167 123.0737 55.1801 41.6440 173.6847 33 Q 3.9915 8.8321 126.5533 58.4865 29.0930 173.9582 34 P 4.4089 0.0000 0.0000 63.0745 31.3399 175.7448 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 3 K 8.30 4.43 0.00 1.78 1.81 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.40 7.81 4 C 7.99 4.53 0.00 2.49 2.15 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.88 4.42 4.26 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 1.17 0.00 0.00 6 P 0.00 3.95 0.00 1.97 1.98 0.00 3.58 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 7 G 8.30 3.86 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 0.00 0.00 0.00 8 Q 7.87 4.20 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 9 V 8.45 5.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 1.05 0.00 0.00 10 K 8.61 4.49 0.00 1.36 0.74 0.00 1.00 0.00 0.00 1.51 0.00 0.00 2.78 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.16 1.27 7.81 11 Q 7.94 4.81 0.00 1.83 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 12 Q 8.71 4.14 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 13 D 8.84 4.55 0.00 2.59 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.87 4.95 0.00 3.04 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 15 N 8.08 5.23 0.00 2.62 2.68 0.00 0.00 6.96 7.05 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 16 T 8.06 4.75 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 1.24 0.00 0.00 17 C 9.00 5.65 0.00 2.59 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.69 4.91 4.31 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 1.28 0.00 0.00 19 C 9.08 4.13 0.00 2.04 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.31 4.39 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 21 P 0.00 4.35 0.00 2.03 2.16 0.00 3.64 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 2.02 2.08 0.00 22 T 7.41 4.23 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 1.19 0.00 0.00 23 G 8.46 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 24 V 6.93 4.59 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 0.99 0.00 0.00 0.89 0.00 0.00 25 W 9.00 4.67 0.00 3.23 3.10 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 26 G 8.95 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.91 6.27 0.00 2.84 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.42 4.27 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 1.22 0.00 0.00 29 L 8.07 4.69 0.00 1.64 1.70 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 30 M 7.34 4.24 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 31 G 8.39 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 0.00 0.00 0.00 32 C 8.52 4.74 0.00 2.94 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.83 3.99 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 34 P 0.00 4.41 0.00 2.45 1.98 0.00 3.68 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 2.02 2.11 0.00