NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3440 7.6874 122.9748 53.5697 19.8085 174.6401 2 G 3.9097 9.1299 111.3780 44.7617 0.0000 170.1354 3 E 4.1496 7.8550 122.2898 55.4406 31.0862 173.6389 4 T 4.8761 8.2358 116.0508 60.1502 71.4506 174.4138 5 C 4.9806 8.2006 121.6361 56.0665 44.2448 176.5668 6 V 3.0074 7.8637 120.1860 65.5918 30.7975 176.3904 7 G 3.9158 8.2183 106.6769 45.2504 0.0000 174.2426 8 G 4.1786 8.7431 106.8347 45.8562 0.0000 173.9756 9 T 4.6379 7.4190 107.9908 60.2338 71.6379 172.4778 10 C 4.8858 8.5170 120.6180 55.6780 42.8318 173.2791 11 N 4.4455 8.6895 116.7878 55.0275 39.0873 176.3238 12 T 4.1798 8.7465 115.9527 61.9921 69.0156 172.9141 13 P 4.2360 0.0000 0.0000 63.8097 31.8152 176.2628 14 G 3.8235 8.6948 109.9953 46.6821 0.0000 172.9043 15 A 4.7505 7.8974 119.8147 50.3590 21.1987 177.8365 16 T 4.3933 9.0108 117.5380 62.9646 70.5501 173.0799 17 C 4.9659 8.6264 124.2492 54.9635 41.2925 174.3332 18 S 4.6152 8.9352 120.9242 57.4998 63.6395 173.4678 19 W 4.3337 7.7749 128.2637 56.0231 31.5162 173.3227 20 P 3.8824 0.0000 0.0000 62.8164 32.0102 175.0945 21 V 4.9526 8.2346 112.6768 60.9416 36.5081 173.8312 22 C 5.4644 8.8512 118.7452 55.7941 38.6890 173.4434 23 T 5.1249 9.0151 111.3716 60.4454 73.0259 172.7779 24 R 4.6063 9.2743 122.0296 55.5889 33.5915 174.6060 25 N 4.2569 9.8682 124.5936 54.5524 36.0893 175.3281 26 G 3.9267 8.5724 103.6727 45.5006 0.0000 173.7041 27 L 4.6993 7.6778 120.4332 51.8056 43.6516 174.4640 28 P 4.6688 0.0000 0.0000 62.5548 31.7991 176.5978 29 V 3.8547 8.9764 121.1264 63.1174 31.3898 175.5315 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 7.69 4.34 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 2 G 9.13 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.86 4.15 0.00 1.99 1.81 0.00 0.00 0.00 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 2.27 0.00 4 T 8.24 4.88 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 5 C 8.20 4.98 0.00 2.93 3.04 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 6 V 7.86 3.01 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 0.80 0.00 0.00 0.62 0.00 0.00 7 G 8.22 3.92 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 0.00 0.00 0.00 8 G 8.74 4.18 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 0.00 9 T 7.42 4.64 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 10 C 8.52 4.89 0.00 2.97 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 4.45 0.00 2.68 2.86 0.00 0.00 6.92 7.54 0.00 0.00 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 T 8.75 4.18 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 13 P 0.00 4.24 0.00 2.04 1.99 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 14 G 8.69 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.90 4.75 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 9.01 4.39 4.29 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 1.23 0.00 0.00 17 C 8.63 4.97 0.00 3.02 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 18 S 8.94 4.62 0.00 3.93 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.77 4.33 0.00 3.25 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.88 0.00 1.38 0.49 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 21 V 8.23 4.95 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 0.60 0.00 0.00 0.95 0.00 0.00 22 C 8.85 5.46 0.00 2.85 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 23 T 9.02 5.12 4.32 0.00 0.00 0.00 0.00 0.00 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 24 R 9.27 4.61 0.00 1.82 1.76 0.00 3.24 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 25 N 9.87 4.26 0.00 2.90 2.88 0.00 0.00 7.22 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.57 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.68 4.70 0.00 1.83 1.56 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.67 0.00 2.03 1.97 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 29 V 8.98 3.85 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.96 0.00 0.00