NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0181 8.3544 109.7368 45.1550 0.0000 174.3061 2 I 3.8949 7.3393 117.8095 60.5610 40.1541 171.6691 3 V 3.4850 7.6606 119.4870 65.9479 32.1904 176.9622 4 E 3.4949 8.0317 118.1767 58.7213 29.5473 177.9406 5 Q 4.1907 7.8431 118.2254 58.3233 29.7646 177.1206 6 C 4.7258 8.2946 116.4140 57.8402 41.2442 174.7733 7 C 4.2157 8.6430 119.3588 60.4096 31.2111 174.8103 8 T 4.2592 7.6188 110.1884 64.7734 69.3089 177.5053 9 S 4.4829 7.8477 116.7979 56.5155 64.1039 170.8092 10 I 3.2992 7.7480 127.8398 60.9504 37.5923 173.4842 11 C 4.7228 8.4325 121.0822 55.8094 36.8575 173.8097 12 S 4.6156 8.1744 116.6043 57.6458 64.5382 175.2574 13 L 3.8546 8.2506 124.4935 58.7559 42.0067 178.4917 14 Y 4.2110 7.6080 116.0647 61.1301 37.4017 178.0798 15 Q 4.0675 8.2775 118.5439 59.0459 28.7998 178.8313 16 L 4.4459 7.9206 119.9032 57.6585 41.5863 179.2278 17 E 4.0399 8.1610 118.8028 59.3458 29.0974 178.9465 18 N 4.2495 7.4980 114.8276 55.6857 38.4439 175.3161 19 Y 4.6249 6.9955 115.7888 57.8085 38.1747 175.2151 20 C 4.4360 8.0286 121.0482 58.7730 32.5606 173.0431 21 N 4.5225 8.5478 120.9736 53.7835 38.5683 174.7740 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 4.02 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 0.00 0.00 0.00 2 I 7.34 3.89 0.80 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.44 0.63 0.00 0.00 3 V 7.66 3.49 2.03 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 0.88 0.00 0.00 0.85 0.00 0.00 4 E 8.03 3.49 0.00 1.98 1.97 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 2.29 2.36 0.00 5 Q 7.84 4.19 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 6 C 8.29 4.73 0.00 2.94 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 8.64 4.22 0.00 2.89 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 8 T 7.62 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 1.25 0.00 0.00 9 S 7.85 4.48 0.00 3.84 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 3.30 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 1.30 0.22 0.92 0.00 0.00 11 C 8.43 4.72 0.00 3.02 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 12 S 8.17 4.62 0.00 3.98 3.89 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 13 L 8.25 3.85 0.00 1.43 1.12 0.76 0.43 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 14 Y 7.61 4.21 0.00 3.14 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 15 Q 8.28 4.07 0.00 2.43 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.96 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 16 L 7.92 4.45 0.00 1.83 1.80 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.16 4.04 0.00 2.29 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 2.33 2.33 0.00 18 N 7.50 4.25 0.00 1.88 2.43 0.00 0.00 6.75 7.26 0.00 0.00 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 7.00 4.62 0.00 3.09 2.99 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 20 C 8.03 4.44 0.00 2.98 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.52 0.00 2.72 2.68 0.00 0.00 6.88 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00