NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8838 8.2133 109.7251 45.4339 0.0000 175.1742 2 I 3.6598 7.0649 120.9109 61.0986 37.9855 171.7181 3 V 4.0839 7.5401 119.6039 62.5699 32.7090 174.3782 4 E 4.7822 7.8341 122.7629 56.7318 36.5879 177.6075 5 Q 4.0827 8.2121 118.5136 58.3025 29.1740 175.7883 6 C 5.5050 7.9240 111.2886 55.8931 42.3460 174.2119 7 C 4.0039 8.0391 118.7538 60.8957 31.4389 173.7034 8 T 4.4806 7.1456 107.7662 60.5777 69.1483 174.2269 9 S 4.5364 7.4012 113.2038 57.7715 64.9813 176.3512 10 I 3.9703 8.6202 125.8507 62.0400 37.5093 175.7273 11 C 5.1867 8.3397 119.2228 55.3120 40.4269 173.8080 12 S 4.7159 7.8192 114.3752 57.0086 66.1596 175.0913 13 L 3.8871 7.7026 124.0047 58.3403 41.5008 178.7684 14 Y 4.3170 6.7063 115.6300 61.3119 38.1322 178.0388 15 Q 4.0639 8.0358 118.4384 58.9299 28.8967 178.6498 16 L 4.2440 7.9728 119.8959 57.4284 41.6231 178.9583 17 E 4.0722 8.1634 119.2769 58.7609 29.3405 178.1471 18 N 4.4119 7.4614 115.1375 55.2529 38.6143 175.6802 19 Y 4.7233 7.0429 116.0573 57.3410 38.6434 175.5708 20 C 4.4341 7.2030 118.2585 59.3428 28.9895 173.5274 21 N 4.5446 8.6271 118.0341 53.8332 38.0871 175.2448 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 8.21 3.88 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 0.00 0.00 0.00 2 I 7.06 3.66 1.63 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 -0.28 0.82 0.00 0.00 3 V 7.54 4.08 2.04 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 0.69 0.00 0.00 0.87 0.00 0.00 4 E 7.83 4.78 0.00 1.93 1.82 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 2.14 2.16 0.00 5 Q 8.21 4.08 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 6 C 7.92 5.50 0.00 2.97 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 8.04 4.00 0.00 2.89 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 7.15 4.48 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 1.26 0.00 0.00 9 S 7.40 4.54 0.00 3.97 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 8.62 3.97 1.86 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 1.40 0.40 0.89 0.00 0.00 11 C 8.34 5.19 0.00 2.93 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.72 0.00 3.71 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 3.89 0.00 1.48 1.27 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 6.71 4.32 0.00 3.03 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 15 Q 8.04 4.06 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 16 L 7.97 4.24 0.00 1.84 1.78 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.16 4.07 0.00 2.26 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 0.00 2.31 2.37 0.00 18 N 7.46 4.41 0.00 2.26 2.59 0.00 0.00 6.78 8.74 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 19 Y 7.04 4.72 0.00 3.15 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 7.20 4.43 0.00 3.21 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 8.63 4.54 0.00 2.71 2.75 0.00 0.00 6.82 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