NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.9638 8.3548 115.3991 55.5399 40.4404 171.9512 2 I 4.5255 7.9296 118.0563 58.6842 40.1363 174.1780 3 P 4.9958 0.0000 0.0000 62.0089 33.1440 174.9511 4 K 3.3752 8.5547 121.6426 56.9605 33.0072 176.9054 5 W 3.0296 7.2584 126.1715 57.3853 26.5936 173.9844 6 N 5.1130 7.1183 114.6006 51.1598 43.2023 175.9578 7 R 4.6111 8.7467 123.0044 56.5521 30.9055 175.7426 8 C 4.9607 8.4274 123.9661 55.1059 48.3747 172.8873 9 G 4.6242 8.1882 103.0373 45.7983 0.0000 172.2988 10 P 4.3564 0.0000 0.0000 65.8829 32.0725 179.9582 11 K 3.7547 7.7413 117.6505 58.3881 31.7867 176.8707 12 M 4.3219 7.3054 116.5227 57.2622 33.5867 176.3938 13 D 4.2850 8.6060 118.4409 55.9044 42.0065 176.8567 14 G 3.7699 7.5864 105.0213 46.6239 0.0000 175.7012 15 V 4.1968 7.2103 116.3608 59.7001 32.1194 172.4574 16 P 4.5200 0.0000 0.0000 62.1364 32.8169 176.1223 17 C 4.5423 8.5017 118.3294 56.7218 41.1180 174.5066 18 C 4.4269 8.8869 118.6043 56.6413 40.5792 173.5567 19 E 4.0272 8.8324 123.5636 56.5663 29.3496 175.7139 20 P 4.4331 0.0000 0.0000 63.6157 31.4336 175.6676 21 Y 4.8032 7.2889 117.6843 58.1158 39.3656 174.8415 22 T 4.5779 8.0396 114.4745 62.4639 73.2385 174.0386 23 C 4.4151 8.8781 123.4274 57.0356 40.6603 174.4763 24 T 4.1520 8.1265 123.9448 61.7212 66.2248 172.7569 25 S 4.7231 7.4323 115.2911 56.8864 66.6299 172.4390 26 D 4.4760 8.3781 118.4942 55.5666 43.5639 177.1500 27 Y 4.2762 7.9660 114.4379 58.9123 40.2872 175.0891 28 Y 4.9132 7.6183 117.8951 56.0272 39.8252 173.6551 29 G 3.8942 8.5360 118.4763 45.8379 0.0000 170.1267 30 N 5.0308 8.4105 118.5253 52.1636 43.5030 174.7523 31 C 4.6314 8.8269 119.6579 57.1581 40.0082 174.0490 32 S 3.4530 8.4915 117.1685 58.4953 62.3351 173.6362 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 8.35 4.96 0.00 3.03 3.19 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 0.00 0.00 0.00 0.00 2 I 7.93 4.53 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.84 1.00 0.00 0.00 3 P 0.00 5.00 0.00 2.16 2.12 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 4 K 8.55 3.38 0.00 1.12 1.61 0.00 0.89 0.00 0.00 0.61 0.00 0.00 2.85 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.21 1.31 7.81 5 W 7.26 3.03 0.00 3.38 3.26 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 6 N 7.12 5.11 0.00 2.80 2.64 0.00 0.00 6.63 7.70 0.00 0.00 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 R 8.75 4.61 0.00 1.86 1.86 0.00 3.05 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 8 C 8.43 4.96 0.00 2.94 2.81 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 0.00 0.00 0.00 9 G 8.19 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.13 2.25 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 11 K 7.74 3.75 0.00 0.79 1.24 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.20 7.81 12 M 7.31 4.32 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 13 D 8.61 4.29 0.00 2.66 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.59 3.77 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 0.00 0.00 0.00 15 V 7.21 4.20 2.24 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 0.82 0.00 0.00 1.00 0.00 0.00 16 P 0.00 4.52 0.00 2.09 1.94 0.00 3.62 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 2.08 2.09 0.00 17 C 8.50 4.54 0.00 2.92 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.89 4.43 0.00 2.88 2.81 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 0.00 0.00 0.00 19 E 8.83 4.03 0.00 1.84 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 20 P 0.00 4.43 0.00 2.21 2.12 0.00 3.10 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 21 Y 7.29 4.80 0.00 2.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.04 4.58 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 23 C 8.88 4.42 0.00 2.80 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 24 T 8.13 4.15 4.14 0.00 0.00 0.00 0.00 0.00 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 25 S 7.43 4.72 0.00 3.77 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.38 4.48 0.00 2.73 2.56 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 0.00 0.00 0.00 0.00 27 Y 7.97 4.28 0.00 3.08 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 28 Y 7.62 4.91 0.00 3.01 2.93 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 29 G 8.54 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.41 5.03 0.00 2.49 2.50 0.00 0.00 6.96 7.75 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 31 C 8.83 4.63 0.00 2.73 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.49 3.45 0.00 2.88 3.29 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