NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.1136 8.1600 109.1369 45.1538 0.0000 174.4007 2 I 3.4529 8.0173 118.0768 63.5090 37.6346 172.7521 3 V 3.6489 8.4351 114.3263 64.3191 31.7372 177.7580 4 E 3.9792 8.0743 117.9184 59.5405 29.1726 179.1900 5 Q 4.1392 8.1733 117.1283 57.7848 28.9324 176.2211 6 C 5.1086 8.4993 114.4233 56.7885 41.3335 174.0638 7 C 4.3731 8.0569 116.7788 60.0897 29.0044 174.8837 8 T 4.2616 7.9358 115.7057 64.7548 68.9846 174.9047 9 S 4.7335 7.5433 112.8111 55.7412 65.5124 172.9783 10 I 3.8782 8.1817 125.8205 61.0448 38.4178 176.1673 11 C 4.7949 8.5386 125.1486 56.1676 40.2681 174.2941 12 S 4.4916 8.8467 119.1161 57.7542 64.7879 175.3260 13 L 3.9902 8.4249 123.0214 58.4859 41.5403 178.2085 14 Y 4.3686 7.9798 118.0497 60.9706 38.7385 177.6026 15 Q 3.8936 8.2533 118.9617 58.7396 28.7512 178.6999 16 L 4.3122 8.1057 120.2706 57.7206 41.7053 179.1248 17 E 4.0100 8.4513 118.5996 59.2109 29.0747 178.7226 18 N 4.0439 7.3446 115.2495 56.2748 38.8733 175.3562 19 Y 4.4322 7.5795 115.2326 57.2762 38.6454 175.6187 20 C 4.4385 7.2040 118.3262 59.4067 29.0576 173.5061 21 N 4.5397 8.5746 118.2724 53.7535 38.2130 175.3117 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 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.45 1.11 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.78 0.67 0.00 0.00 3 V 8.44 3.65 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 0.72 0.00 0.00 0.91 0.00 0.00 4 E 8.07 3.98 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 5 Q 8.17 4.14 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 6 C 8.50 5.11 0.00 2.90 3.04 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 7 C 8.06 4.37 0.00 3.11 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 7.94 4.26 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 7.54 4.73 0.00 3.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 3.88 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.94 0.92 0.00 0.00 11 C 8.54 4.79 0.00 3.03 3.03 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 12 S 8.85 4.49 0.00 4.14 4.07 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 13 L 8.42 3.99 0.00 1.82 1.77 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.98 4.37 0.00 2.92 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 15 Q 8.25 3.89 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 16 L 8.11 4.31 0.00 1.91 1.78 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.45 4.01 0.00 2.15 2.01 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 2.37 2.63 0.00 18 N 7.34 4.04 0.00 2.29 2.28 0.00 0.00 7.16 7.42 0.00 0.00 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 7.58 4.43 0.00 3.11 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 7.20 4.44 0.00 2.99 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 21 N 8.57 4.54 0.00 2.72 2.73 0.00 0.00 6.81 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