NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9878 8.3549 109.7470 45.5602 0.0000 173.8790 2 I 3.7235 7.0926 120.5903 62.4261 38.2972 173.9298 3 V 3.6117 8.5449 120.4013 64.8878 32.9980 175.7918 4 E 4.6605 7.4105 119.4817 54.2268 29.0447 174.1197 5 Q 4.5858 7.4146 125.1421 56.5738 33.5267 174.6499 6 C 5.4936 7.7486 114.2691 57.7753 41.5749 175.8599 7 C 4.0195 8.0688 116.5933 62.4744 27.8695 174.6588 8 T 4.2114 7.7194 108.0294 62.6414 69.4099 174.8811 9 S 4.2699 7.7873 113.6078 57.2942 65.8227 174.0901 10 I 3.7460 8.7701 126.9272 61.3802 36.7426 176.4526 11 C 4.4474 8.5508 122.6474 56.7275 36.7351 174.4506 12 S 4.4715 8.1476 116.1742 57.8810 64.0761 175.4169 13 L 3.9508 8.2288 124.0636 57.8953 41.0676 179.3930 14 Y 4.0810 7.5775 115.3870 61.1995 37.7699 178.0653 15 Q 4.1810 8.1863 118.5105 58.9386 28.7300 178.3580 16 L 4.4854 7.8342 118.0526 56.8031 41.6639 178.1085 17 E 4.1738 8.1802 119.0385 58.5252 29.7371 177.5995 18 N 4.7608 7.7108 114.7332 53.0073 37.1920 175.1987 19 Y 4.6269 7.4230 115.4664 58.6186 39.7874 176.0896 20 C 4.4838 7.8957 116.8637 58.6583 29.2796 173.0032 21 N 4.4879 8.6278 118.9172 54.1221 38.4949 174.7251 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 G 8.35 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.09 3.72 1.65 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 -0.11 0.76 0.00 0.00 3 V 8.54 3.61 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.89 0.00 0.00 4 E 7.41 4.66 0.00 1.98 1.90 0.00 0.00 0.00 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 2.26 0.00 5 Q 7.41 4.59 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.16 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 6 C 7.75 5.49 0.00 3.13 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 7 C 8.07 4.02 0.00 3.21 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 4.21 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 1.21 0.00 0.00 9 S 7.79 4.27 0.00 3.96 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.77 3.75 1.88 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 1.41 0.53 0.91 0.00 0.00 11 C 8.55 4.45 0.00 3.01 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 12 S 8.15 4.47 0.00 3.88 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 13 L 8.23 3.95 0.00 1.41 1.31 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.58 4.08 0.00 3.02 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.19 4.18 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.98 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 16 L 7.83 4.49 0.00 1.69 1.79 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.18 4.17 0.00 2.33 2.02 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 0.00 2.32 2.21 0.00 18 N 7.71 4.76 0.00 2.64 2.81 0.00 0.00 6.72 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.42 4.63 0.00 3.24 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.90 4.48 0.00 3.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.63 4.49 0.00 2.70 2.72 0.00 0.00 6.88 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00