NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0427 8.1600 109.1396 45.0017 0.0000 174.3374 2 I 3.3942 8.1342 120.2391 62.4024 37.4763 172.7276 3 V 3.5082 8.3863 120.0349 66.1042 31.5174 177.3525 4 E 3.9820 8.0981 117.8302 59.4231 29.0995 179.2655 5 Q 4.1348 8.2064 117.5537 58.2541 28.9837 176.9096 6 C 5.1397 8.1754 114.9128 55.8820 41.8485 174.2818 7 C 4.2494 8.2182 117.6594 60.1404 28.6731 174.6320 8 T 4.2889 7.8122 109.3023 63.0701 69.1535 174.8028 9 S 4.6494 7.4184 114.1186 56.2858 65.9476 173.0200 10 I 4.0133 8.1551 122.6436 61.5012 37.3512 176.4929 11 C 4.8438 8.6121 123.3224 55.7644 40.3362 174.4561 12 S 4.3996 9.4829 120.3725 58.0947 64.6807 175.4689 13 L 3.9532 8.1583 121.8370 58.0076 41.0192 179.3941 14 Y 4.3374 7.3314 115.5293 61.1860 38.0104 178.0553 15 Q 4.2355 8.2814 118.8977 59.2233 28.8663 179.1531 16 L 4.2964 8.1247 119.7607 57.6051 41.6056 179.0392 17 E 4.1687 8.3627 119.2877 59.0181 29.2605 178.3550 18 N 4.3473 7.7866 115.6615 55.7154 38.3857 175.6158 19 Y 4.4448 8.2093 117.1809 57.2976 38.3604 175.3895 20 C 4.4364 7.2099 118.1674 59.3011 29.0297 173.5012 21 N 4.5442 8.5851 117.8675 53.8052 38.1293 175.3216 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 8.16 4.04 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 0.00 0.00 0.00 2 I 8.13 3.39 0.92 0.00 0.00 0.23 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 1.42 0.70 0.00 0.00 3 V 8.39 3.51 2.05 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 1.07 0.00 0.00 0.88 0.00 0.00 4 E 8.10 3.98 0.00 2.25 1.99 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 2.41 2.46 0.00 5 Q 8.21 4.13 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.75 2.70 0.00 6 C 8.18 5.14 0.00 2.96 3.05 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 0.00 0.00 0.00 0.00 7 C 8.22 4.25 0.00 3.08 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.29 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 1.21 0.00 0.00 9 S 7.42 4.65 0.00 3.97 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.01 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 0.54 0.91 0.00 0.00 11 C 8.61 4.84 0.00 2.97 3.07 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 12 S 9.48 4.40 0.00 3.98 4.05 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 0.00 0.00 0.00 0.00 13 L 8.16 3.95 0.00 1.30 1.57 0.80 0.74 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 14 Y 7.33 4.34 0.00 3.01 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 15 Q 8.28 4.24 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 16 L 8.12 4.30 0.00 1.90 1.79 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.36 4.17 0.00 2.29 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 2.36 2.41 0.00 18 N 7.79 4.35 0.00 2.65 2.57 0.00 0.00 6.96 7.33 0.00 0.00 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 8.21 4.44 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.21 4.44 0.00 3.09 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.54 0.00 2.71 2.75 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00