NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4932 8.3049 120.3279 55.2054 33.3954 175.1675 2 I 3.6595 8.6814 125.4598 62.8968 37.5026 174.5209 3 K 4.5874 7.8858 119.4070 54.1912 35.1115 174.8643 4 L 4.4070 8.2694 126.4143 54.3643 43.0713 175.4888 5 F 4.9727 8.5266 124.8970 56.3328 41.9300 174.5446 6 S 4.1640 6.9044 119.8716 56.0952 65.1677 172.8833 7 L 4.0441 8.0318 129.3989 53.8507 42.6702 176.2362 8 K 4.0389 8.4411 125.9560 56.7408 32.9668 177.9553 9 Q 4.3850 8.3768 126.2996 55.1545 27.8584 173.9974 10 Q 4.6283 7.2544 115.8162 53.6092 33.6039 175.5749 11 K 4.2436 8.2736 118.1501 56.4303 33.4231 176.8593 12 K 4.2865 8.3098 122.1030 56.2648 33.1214 177.8994 13 E 4.2021 8.5076 114.8748 56.3844 29.7522 175.8444 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 4.49 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 2 I 8.68 3.66 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 1.30 0.09 0.92 0.00 0.00 3 K 7.89 4.59 0.00 1.71 1.70 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.41 7.81 4 L 8.27 4.41 0.00 1.65 1.56 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.53 4.97 0.00 2.96 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.90 4.16 0.00 3.60 3.38 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 7 L 8.03 4.04 0.00 1.69 1.52 1.09 0.71 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 8 K 8.44 4.04 0.00 1.77 1.72 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.41 7.81 9 Q 8.38 4.38 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 10 Q 7.25 4.63 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.06 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 11 K 8.27 4.24 0.00 1.87 1.81 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.46 7.81 12 K 8.31 4.29 0.00 1.78 1.81 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.44 7.81 13 E 8.51 4.20 0.00 1.99 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.87 0.00