NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.5039 8.3331 120.8373 58.8260 33.0696 174.4386 2 G 4.0093 7.6398 101.9708 43.8864 0.0000 172.2604 3 G 3.6405 8.5874 113.1399 48.2315 0.0000 169.6463 4 D 4.8108 7.6670 114.2724 52.1369 43.4298 177.0004 5 N 4.2769 8.3685 120.1912 56.8711 38.5239 176.8022 6 I 3.8820 7.6185 120.6269 64.1318 37.6857 177.5238 7 E 3.9195 8.1397 119.5630 59.2191 28.9101 178.6264 8 Q 3.9555 8.2014 119.7598 58.8700 28.7801 177.7505 9 K 3.9602 7.6295 119.6013 59.3780 32.1690 178.8480 10 I 3.7264 7.9791 113.5549 64.1021 37.3937 177.4445 11 D 4.3804 7.7655 118.5334 57.2928 41.2459 178.1316 12 D 4.5147 7.8568 118.7383 57.3745 40.7984 178.6543 13 I 3.9302 7.2855 121.0824 64.0128 36.7835 177.7181 14 D 4.1854 8.7364 119.0939 58.0169 40.3957 178.1036 15 H 4.3688 8.1788 118.0086 58.7807 29.6356 176.8910 16 E 4.1003 7.9551 119.9477 58.8525 29.2231 178.6790 17 I 3.7129 8.6243 120.3600 64.0821 37.0728 178.2776 18 A 4.0629 7.7901 121.3891 54.8019 18.1942 178.8743 19 D 4.3025 7.5739 115.1370 57.5937 41.4860 178.5555 20 L 4.0981 7.6898 119.1701 58.0201 41.6195 179.0616 21 Q 3.9484 7.7819 118.6309 59.4346 28.9352 178.6026 22 A 4.0401 8.2371 121.6689 54.8776 18.2599 179.7794 23 K 4.0180 8.1644 117.2705 59.4427 32.0511 179.9065 24 R 3.9551 7.8752 118.0978 59.4035 30.0280 178.9058 25 T 3.8168 7.6828 115.8365 66.6246 68.3067 176.5738 26 R 4.0673 7.5873 116.2649 59.8211 29.5422 178.3640 27 L 4.1470 7.7676 119.5569 57.2978 41.5566 179.6786 28 V 3.3622 7.7512 118.3055 66.1023 31.2712 177.9150 29 Q 4.1051 8.1316 116.8933 59.2834 28.5691 178.7788 30 Q 4.2432 7.7958 119.4967 58.0522 30.4706 175.9875 31 H 4.9732 8.2965 114.7208 53.1558 28.3271 171.2347 32 P 4.2821 0.0000 0.0000 65.4400 32.1929 177.6564 33 R 4.2054 7.8383 121.7125 56.1187 30.3145 175.6577 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 C 8.33 4.50 0.00 2.95 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 2 G 7.64 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 3 G 8.59 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.67 4.81 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.37 4.28 0.00 2.78 2.83 0.00 0.00 7.14 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.62 3.88 1.87 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 1.52 0.43 0.91 0.00 0.00 7 E 8.14 3.92 0.00 2.03 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 2.38 2.38 0.00 8 Q 8.20 3.96 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 9 K 7.63 3.96 0.00 2.06 1.79 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 10 I 7.98 3.73 1.87 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 1.51 0.77 0.91 0.00 0.00 11 D 7.77 4.38 0.00 2.94 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.86 4.51 0.00 2.98 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.29 3.93 1.99 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 1.39 1.94 0.92 0.00 0.00 14 D 8.74 4.19 0.00 2.87 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.18 4.37 0.00 3.32 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.96 4.10 0.00 2.12 1.96 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 2.35 2.63 0.00 17 I 8.62 3.71 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 1.46 1.13 0.92 0.00 0.00 18 A 7.79 4.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.57 4.30 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 4.10 0.00 1.68 1.69 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.78 3.95 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 22 A 8.24 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 4.02 0.00 2.02 1.87 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.48 7.81 24 R 7.88 3.96 0.00 1.97 1.98 0.00 3.14 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 25 T 7.68 3.82 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 26 R 7.59 4.07 0.00 2.00 2.10 0.00 3.08 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.70 0.00 27 L 7.77 4.15 0.00 1.96 1.83 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.75 3.36 2.19 0.00 0.00 0.00 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 0.95 0.00 0.00 29 Q 8.13 4.11 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 30 Q 7.80 4.24 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.24 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 31 H 8.30 4.97 0.00 3.20 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.28 0.00 2.18 2.20 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 33 R 7.84 4.21 0.00 1.78 1.85 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00