NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3989 8.3044 120.3487 55.3192 33.1366 174.2318 2 S 4.5307 8.2308 119.7263 54.3926 64.7581 173.0503 3 R 3.8069 8.8508 124.0360 57.9828 30.3880 176.5882 4 R 4.2727 7.7043 117.9649 56.4805 30.5145 175.8301 5 K 4.6761 7.2578 115.9775 55.0423 35.1247 176.2078 6 Q 4.2004 8.5027 119.6649 56.2719 29.1606 176.4404 7 S 4.4051 8.4647 113.3794 59.9785 64.1129 174.2296 8 N 5.0056 7.6364 117.4635 50.2953 38.6481 171.8919 9 P 4.3529 0.0000 0.0000 63.2934 32.5020 177.5505 10 R 4.6611 8.2508 118.3109 54.3345 32.4020 174.7219 11 Q 4.3357 8.4704 122.5868 54.5590 30.1007 175.2406 12 I 4.3279 8.2034 125.3418 59.5559 38.2745 175.8028 13 K 4.1746 8.5261 123.8613 56.8102 32.7257 176.5073 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 4.40 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 S 8.23 4.53 0.00 3.92 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.85 3.81 0.00 1.96 2.04 0.00 3.08 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 4 R 7.70 4.27 0.00 1.83 1.97 0.00 3.20 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 5 K 7.26 4.68 0.00 1.74 1.72 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.33 7.81 6 Q 8.50 4.20 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.09 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 7 S 8.46 4.41 0.00 4.00 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 8 N 7.64 5.01 0.00 2.67 2.75 0.00 0.00 6.95 8.02 0.00 0.00 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 P 0.00 4.35 0.00 2.17 2.06 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 10 R 8.25 4.66 0.00 1.81 1.70 0.00 3.25 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 11 Q 8.47 4.34 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 12 I 8.20 4.33 1.87 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 1.47 0.77 0.91 0.00 0.00 13 K 8.53 4.17 0.00 1.85 1.78 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.41 7.81