NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9805 8.2127 109.7410 45.5213 0.0000 173.7803 2 I 3.4490 8.2365 119.0184 62.6010 37.7605 173.9216 3 V 3.5086 8.3891 120.0688 66.0840 31.7072 177.3419 4 E 3.9958 8.0331 116.5886 59.3363 29.4035 178.6540 5 Q 4.1671 8.1597 118.9611 58.3867 29.3367 176.3620 6 C 5.1038 8.1885 115.1328 55.9902 41.7008 174.1298 7 C 4.2752 8.1069 117.5602 60.1438 28.8528 174.8286 8 T 4.2356 7.8716 109.2576 63.2726 68.8741 174.6017 9 S 4.6409 7.4506 114.3713 56.3270 65.9998 172.9725 10 I 4.0897 8.1836 122.3795 61.5168 37.2795 176.4698 11 C 4.9392 8.5896 123.2987 55.5872 42.5180 174.5158 12 S 4.5057 9.1362 120.0926 58.0791 64.7535 175.4911 13 L 4.0095 8.5074 122.5003 58.0570 41.0917 179.2495 14 Y 4.1923 7.9901 118.4088 60.8811 39.2848 177.5324 15 Q 3.9574 8.2236 118.9429 59.0308 28.7662 178.9628 16 L 4.3037 8.2095 119.9235 57.5949 41.6333 179.0610 17 E 3.9423 8.1047 118.7991 59.5897 29.0877 179.0935 18 N 4.2180 7.6855 115.0304 55.5942 38.3097 175.8661 19 Y 4.4618 7.8474 116.6737 57.3955 38.3273 175.4213 20 C 4.4172 7.1100 118.0431 59.2094 29.0689 173.4890 21 N 4.5340 8.5540 117.7130 53.8018 38.1411 175.3585 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 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 3.45 1.05 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.39 0.68 0.00 0.00 3 V 8.39 3.51 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 0.99 0.00 0.00 0.88 0.00 0.00 4 E 8.03 4.00 0.00 1.97 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 2.32 2.42 0.00 5 Q 8.16 4.17 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 6 C 8.19 5.10 0.00 3.02 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 7 C 8.11 4.28 0.00 3.09 2.95 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 8 T 7.87 4.24 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 1.24 0.00 0.00 9 S 7.45 4.64 0.00 3.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 4.09 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 1.42 0.54 0.93 0.00 0.00 11 C 8.59 4.94 0.00 2.99 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 12 S 9.14 4.51 0.00 4.11 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.01 0.00 1.77 1.82 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.99 4.19 0.00 2.89 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 8.22 3.96 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 16 L 8.21 4.30 0.00 1.91 1.80 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.10 3.94 0.00 2.13 1.93 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 2.36 2.59 0.00 18 N 7.69 4.22 0.00 2.33 2.44 0.00 0.00 6.98 6.74 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 7.85 4.46 0.00 3.11 2.95 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 20 C 7.11 4.42 0.00 3.06 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 8.55 4.53 0.00 2.72 2.74 0.00 0.00 6.79 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