NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3494 8.2493 123.5826 52.2922 20.7927 178.0011 2 Q 3.8638 8.0011 113.6184 55.7604 29.5640 174.1926 3 Q 3.1630 8.5779 116.7686 57.0184 27.4964 173.8508 4 R 4.4526 7.6602 117.2625 53.8565 29.6959 175.0252 5 K 4.4242 7.8244 118.9972 53.1783 33.5499 175.1953 6 V 3.6393 8.2635 121.3922 62.4384 31.8481 175.6161 7 I 4.4806 8.1776 124.3650 59.0584 41.4762 174.1483 8 R 4.4492 8.8213 130.3184 55.0008 29.3750 174.2752 9 C 3.6934 8.6551 120.0992 58.1949 29.6771 175.6145 10 W 4.2093 8.6403 120.4516 58.7915 27.3814 176.3111 11 N 3.1400 5.7700 113.9940 55.8125 38.4393 175.6358 12 C 4.3201 7.5589 116.3139 59.3736 31.5482 174.7100 13 G 4.1256 7.4037 108.5046 45.3432 0.0000 173.6967 14 K 4.4327 8.0121 119.0696 54.7073 33.7990 174.9520 15 E 4.8567 8.7491 121.2355 54.9194 31.4159 174.9553 16 G 3.6855 7.4433 113.8095 45.4590 0.0000 173.3743 17 H 4.7534 7.3617 114.6622 53.0768 31.2105 174.2468 18 S 4.3913 8.4775 117.5146 57.2558 65.4088 174.9539 19 A 3.5310 8.3196 124.6555 54.8185 18.0529 180.0100 20 R 3.9674 8.0616 116.7882 58.6704 29.8555 178.5677 21 Q 4.3255 7.3414 117.3181 57.2412 29.3613 175.7684 22 C 4.0293 7.8710 119.9082 59.0378 31.0160 172.6820 23 R 5.0168 8.1236 124.9951 55.4598 29.1645 178.0841 24 A 4.0933 6.7068 121.2911 53.6671 18.9414 176.8104 25 P 4.4355 0.0000 0.0000 61.9362 32.6839 177.3636 26 R 4.2731 8.1553 120.0623 55.5644 28.9232 175.4943 27 R 4.5642 8.4169 117.5773 56.8671 31.7081 173.6530 28 Q 3.5629 7.9802 127.0950 55.0822 26.4626 174.3270 29 G 4.4262 7.5317 110.4052 46.5665 0.0000 172.2108 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 A 8.25 4.35 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.00 3.86 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.43 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 3 Q 8.58 3.16 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.20 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 4 R 7.66 4.45 0.00 1.98 1.86 0.00 3.37 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 5 K 7.82 4.42 0.00 1.68 1.70 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.40 7.81 6 V 8.26 3.64 2.08 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 0.74 0.00 0.00 1.01 0.00 0.00 7 I 8.18 4.48 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.47 0.89 0.00 0.00 8 R 8.82 4.45 0.00 1.86 1.87 0.00 3.34 0.00 0.00 3.31 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 9 C 8.66 3.69 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.64 4.21 0.00 3.53 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 5.77 3.14 0.00 2.22 2.41 0.00 0.00 6.59 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 12 C 7.56 4.32 0.00 3.05 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 13 G 7.40 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.01 4.43 0.00 1.87 1.77 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.41 7.81 15 E 8.75 4.86 0.00 1.86 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 16 G 7.44 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 0.00 0.00 0.00 17 H 7.36 4.75 0.00 3.17 3.20 0.00 5.53 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.48 4.39 0.00 4.08 4.04 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 19 A 8.32 3.53 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.06 3.97 0.00 1.87 2.03 0.00 3.45 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 21 Q 7.34 4.33 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.12 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 22 C 7.87 4.03 0.00 3.05 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.12 5.02 0.00 1.76 1.87 0.00 3.27 0.00 0.00 3.85 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 24 A 6.71 4.09 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.44 0.00 2.30 2.11 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 26 R 8.16 4.27 0.00 1.85 1.98 0.00 3.43 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 27 R 8.42 4.56 0.00 1.88 2.25 0.00 3.44 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 28 Q 7.98 3.56 0.00 2.62 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 29 G 7.53 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00