NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2403 8.2649 123.5896 52.2554 19.9198 176.5394 2 C 4.8944 8.1257 116.5003 55.5474 42.3624 171.7699 3 Y 4.9078 9.4878 119.4227 56.7252 42.9251 173.2911 4 C 5.3142 8.9506 120.6997 56.6528 40.7017 173.2954 5 R 5.2321 9.8426 122.5798 54.5147 34.0062 174.3922 6 I 4.8992 8.6848 122.4545 59.1315 39.6760 173.8514 7 P 4.4387 0.0000 0.0000 63.1412 32.1278 174.7343 8 A 4.4179 7.2552 119.7459 51.5077 21.6549 176.3089 9 C 4.5458 8.5973 117.0761 57.2180 42.2728 173.8671 10 I 4.3327 8.5312 122.1779 59.4326 38.2986 175.5796 11 A 4.0911 8.3467 125.0847 54.4697 18.4371 177.6703 12 G 4.0334 9.1016 109.9243 45.1541 0.0000 173.5638 13 E 4.7189 7.7057 117.8900 55.0375 31.5541 175.2249 14 R 4.5086 8.5363 119.2444 54.2441 33.8181 175.7222 15 R 4.6259 8.2896 122.7628 56.2434 29.5248 175.4949 16 Y 4.3671 8.7129 124.6815 58.9620 38.6458 176.6801 17 G 4.3258 7.4903 105.4917 46.9208 0.0000 172.1154 18 T 5.3968 8.8703 117.7090 62.2306 72.7034 174.2708 19 C 5.0839 9.4062 122.4512 55.2934 43.6189 173.0078 20 I 5.2078 8.2739 121.9251 59.8624 39.3192 174.9777 21 A 4.5686 9.6036 129.0398 52.2816 22.2420 175.8645 22 Q 3.4448 9.7395 119.0559 57.0502 26.3655 174.7261 23 G 3.9925 8.6472 102.9753 45.9857 0.0000 174.1005 24 R 4.6859 8.0101 117.6471 53.9094 33.6874 174.2397 25 L 5.1947 8.0553 119.4294 53.7256 43.1557 176.1584 26 W 5.2710 9.3024 121.4095 54.7098 34.0583 174.2931 27 A 4.6244 9.1949 124.6069 51.8034 19.7213 176.3122 28 F 5.3354 9.2133 125.1375 57.2360 41.0539 173.9297 29 C 5.4747 8.6350 123.7341 55.3385 41.5043 173.5248 30 C 4.4493 9.0019 122.1469 57.1881 44.7328 173.3730 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 A 8.26 4.24 1.08 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 0.00 0.00 2 C 8.13 4.89 0.00 2.92 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.49 4.91 0.00 2.82 2.82 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 4 C 8.95 5.31 0.00 2.58 2.90 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 0.00 0.00 0.00 5 R 9.84 5.23 0.00 1.79 1.87 0.00 3.18 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 6 I 8.68 4.90 1.60 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.03 0.71 0.00 0.00 7 P 0.00 4.44 0.00 2.14 2.11 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 8 A 7.26 4.42 1.21 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 0.00 0.00 0.00 9 C 8.60 4.55 0.00 2.95 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.33 1.82 0.00 0.00 0.76 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 0.63 0.87 0.00 0.00 11 A 8.35 4.09 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 9.10 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 0.00 0.00 0.00 13 E 7.71 4.72 0.00 2.09 1.86 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 2.30 2.26 0.00 14 R 8.54 4.51 0.00 0.81 1.20 0.00 3.15 0.00 0.00 2.96 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 15 R 8.29 4.63 0.00 1.79 1.82 0.00 3.26 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 16 Y 8.71 4.37 0.00 3.02 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 17 G 7.49 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.87 5.40 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 19 C 9.41 5.08 0.00 2.90 2.90 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 0.00 0.00 0.00 20 I 8.27 5.21 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.98 0.00 0.00 21 A 9.60 4.57 1.08 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 0.00 0.00 22 Q 9.74 3.44 0.00 2.50 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.26 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 23 G 8.65 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 24 R 8.01 4.69 0.00 1.96 1.41 0.00 3.12 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.74 0.00 25 L 8.06 5.19 0.00 1.47 1.60 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.30 5.27 0.00 3.28 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.19 4.62 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.21 5.34 0.00 3.21 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.64 5.47 0.00 2.97 3.02 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 0.00 0.00 0.00 30 C 9.00 4.45 0.00 2.73 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00