NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7489 8.3133 115.4500 55.2574 38.1551 174.0275 2 K 4.4595 9.3194 119.1274 54.8904 34.5935 174.9070 3 I 4.9082 8.2407 119.1086 58.9124 41.9290 175.8864 4 S 4.4152 9.1204 118.3821 61.4289 63.0879 177.6238 5 R 3.9562 8.0066 115.9775 59.1424 29.3513 177.7985 6 Q 4.4091 8.2473 115.3137 56.6610 28.8927 175.4957 7 C 4.9788 8.0457 114.4145 55.7110 43.8623 176.0042 8 L 4.0038 7.9104 121.6648 58.0925 41.5501 178.9399 9 K 3.9482 7.9016 117.7477 59.1954 32.0548 177.6607 10 P 4.3062 0.0000 0.0000 64.7355 31.3791 178.0643 11 C 4.7162 8.1294 113.9609 58.5524 42.2181 176.0578 12 K 4.1439 8.0475 122.2778 59.1921 31.7194 178.5176 13 D 4.3597 7.7034 116.4830 56.7455 41.1436 177.5643 14 A 4.3072 7.9664 120.6238 52.1525 19.3293 177.8461 15 G 5.0470 7.1724 122.4515 46.8675 0.0000 171.3078 16 M 4.9646 7.4581 117.8830 53.3380 36.6935 177.4549 17 R 3.8203 9.3254 120.3025 59.0030 30.6262 176.8924 18 F 4.8750 7.8786 115.6082 54.9840 43.4139 174.8827 19 G 4.6741 7.9843 101.1671 45.2647 0.0000 173.9966 20 K 4.4637 7.8867 121.5757 55.8150 33.7755 176.3720 21 C 5.4719 8.6789 126.8765 55.1932 42.8678 171.9144 22 M 4.6346 8.7756 124.6608 55.3069 34.8890 172.7184 23 N 4.5844 10.3345 128.3427 53.1327 39.4998 175.8446 24 G 4.6292 7.5033 102.3649 45.4060 0.0000 171.8429 25 K 4.9232 8.0927 119.3734 55.1519 36.2266 172.3320 26 C 5.3332 8.6551 116.6356 54.3073 39.2793 173.7300 27 H 4.6850 9.2806 119.9953 54.9352 28.7010 172.6244 28 C 5.5648 8.8313 120.4358 55.2118 39.3986 173.6746 29 T 4.4753 8.4213 116.2441 59.5958 69.4730 172.7362 30 P 4.6420 0.0000 0.0000 62.5715 32.4393 176.8398 31 K 4.2311 8.0098 119.0720 56.7930 31.6912 177.0383 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 8.31 4.75 0.00 3.12 3.40 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 2 K 9.32 4.46 0.00 1.91 1.82 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.43 7.81 3 I 8.24 4.91 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 1.05 0.92 0.00 0.00 4 S 9.12 4.42 0.00 3.90 3.99 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 5 R 8.01 3.96 0.00 2.00 2.20 0.00 2.96 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 6 Q 8.25 4.41 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 7 C 8.05 4.98 0.00 2.97 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 4.00 0.00 1.94 1.81 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.90 3.95 0.00 1.81 1.83 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.71 1.47 7.81 10 P 0.00 4.31 0.00 2.02 2.12 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.18 0.00 11 C 8.13 4.72 0.00 3.15 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.05 4.14 0.00 1.77 2.08 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.45 7.81 13 D 7.70 4.36 0.00 2.63 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 14 A 7.97 4.31 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 15 G 7.17 5.05 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 0.00 0.00 0.00 16 M 7.46 4.96 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.74 0.00 17 R 9.33 3.82 0.00 1.80 1.67 0.00 3.12 0.00 0.00 3.58 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 18 F 7.88 4.87 0.00 2.97 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 19 G 7.98 4.67 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 0.00 0.00 0.00 20 K 7.89 4.46 0.00 1.93 1.73 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.46 7.81 21 C 8.68 5.47 0.00 3.03 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 22 M 8.78 4.63 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 23 N 10.33 4.58 0.00 3.01 2.83 0.00 0.00 6.48 7.74 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 24 G 7.50 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 4.92 0.00 1.69 1.83 0.00 1.24 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.30 7.81 26 C 8.66 5.33 0.00 2.97 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.28 4.68 0.00 3.14 3.30 0.00 5.80 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.83 5.56 0.00 2.88 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.42 4.48 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 30 P 0.00 4.64 0.00 1.97 2.05 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 31 K 8.01 4.23 0.00 1.68 1.70 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.51 7.81