NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9483 8.2127 109.7405 44.9956 0.0000 173.8788 2 I 3.0672 8.3262 117.9758 63.4215 37.3193 172.3468 3 V 3.5155 8.4013 119.8600 66.1522 31.6364 177.2770 4 E 3.9655 7.9832 116.5864 59.2874 28.0980 178.9540 5 Q 4.1554 8.3398 118.1856 58.6617 28.7905 177.0409 6 C 4.3785 8.3068 115.2971 56.3934 40.9885 174.5318 7 C 4.4363 8.1303 117.5670 59.9528 28.5931 174.0813 8 T 4.4174 7.7449 116.6909 64.1056 69.3870 174.6008 9 S 4.6804 7.3796 112.8904 56.2822 66.1945 173.1226 10 I 4.1989 8.1707 122.7344 61.2756 37.4025 176.8327 11 C 4.7440 8.5646 123.2863 56.3057 40.2991 174.3289 12 S 4.5356 9.1303 119.1727 57.6041 65.4110 175.3642 13 L 4.0894 8.3763 120.5920 57.9574 40.9980 179.0707 14 Y 4.2887 7.9803 118.5966 60.8010 38.9942 177.4330 15 Q 3.9126 8.1171 118.9464 58.8274 28.7778 178.6880 16 L 4.1633 8.0355 120.1158 57.8291 41.6585 179.0942 17 E 3.9530 8.3399 119.1543 59.1260 29.2154 178.1580 18 N 4.0194 7.4651 116.5363 56.3448 38.8459 175.2460 19 Y 4.3598 7.6518 115.2547 57.1817 38.5126 175.4361 20 C 4.5087 7.4623 118.6237 59.2969 29.2212 173.4516 21 N 4.5727 8.5007 117.4825 53.0971 37.0710 174.6043 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 3.95 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 0.00 0.00 0.00 2 I 8.33 3.07 1.10 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.54 0.73 0.00 0.00 3 V 8.40 3.52 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 1.06 0.00 0.00 0.87 0.00 0.00 4 E 7.98 3.97 0.00 2.09 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 2.31 2.45 0.00 5 Q 8.34 4.16 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.68 2.66 0.00 6 C 8.31 4.38 0.00 2.92 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 7 C 8.13 4.44 0.00 3.11 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 4.42 4.46 0.00 0.00 0.00 0.00 0.00 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 7.38 4.68 0.00 3.94 3.90 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 10 I 8.17 4.20 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 1.42 0.81 0.92 0.00 0.00 11 C 8.56 4.74 0.00 2.98 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 12 S 9.13 4.54 0.00 4.09 4.08 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 13 L 8.38 4.09 0.00 1.78 1.81 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.98 4.29 0.00 2.86 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 15 Q 8.12 3.91 0.00 2.42 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 16 L 8.04 4.16 0.00 2.08 1.78 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.34 3.95 0.00 2.19 2.12 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 2.34 2.54 0.00 18 N 7.47 4.02 0.00 2.35 2.64 0.00 0.00 7.17 7.43 0.00 0.00 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 7.65 4.36 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 20 C 7.46 4.51 0.00 3.04 2.88 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 21 N 8.50 4.57 0.00 2.80 2.77 0.00 0.00 5.90 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