NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4102 8.1593 117.3808 63.8232 69.7211 173.5529 2 T 4.3110 8.5983 117.0127 62.6830 69.9629 175.2347 3 Y 4.3044 8.5507 124.7174 60.7690 39.7026 179.2891 4 A 3.9448 8.1905 121.2936 55.1137 18.4093 179.1291 5 D 4.2880 8.5786 117.9302 57.3554 41.0092 178.6239 6 F 4.2205 8.0678 120.6170 61.6182 39.1681 177.1818 7 I 3.2484 7.1052 117.3994 63.9866 36.8964 178.0403 8 A 4.0565 7.4255 120.8395 53.2949 18.1179 177.8755 9 S 4.3769 7.1713 112.2508 57.3157 64.5464 175.3951 10 G 3.4418 8.3054 108.6812 47.3193 0.0000 174.9757 11 R 4.4097 7.2140 118.5474 56.8881 29.6468 177.4616 12 T 4.0003 7.4371 108.3353 62.0990 69.4464 174.6303 13 G 4.0136 7.4233 111.0991 43.7857 0.0000 172.6828 14 R 3.9431 8.4198 118.7624 56.4713 30.0574 176.5533 15 R 4.3244 8.4998 122.7487 55.2109 31.1468 176.1363 16 N 4.7084 8.5298 119.6364 51.6751 40.8965 173.7422 17 A 4.5369 8.0250 122.1637 50.9739 21.1010 176.4297 18 I 2.7822 7.8799 109.6627 62.6324 37.9234 175.4850 19 H 5.1317 10.0284 107.7811 53.6435 30.0953 174.8459 20 D 4.5736 8.7646 121.2191 54.4636 40.6072 176.4720 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 T 8.16 4.41 4.30 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 1.33 0.00 0.00 2 T 8.60 4.31 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 1.27 0.00 0.00 3 Y 8.55 4.30 0.00 3.09 3.05 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 4 A 8.19 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.58 4.29 0.00 2.86 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 6 F 8.07 4.22 0.00 3.07 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 7 I 7.11 3.25 1.60 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.36 0.74 0.00 0.00 8 A 7.43 4.06 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 9 S 7.17 4.38 0.00 3.99 3.95 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 10 G 8.31 3.44 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 0.00 11 R 7.21 4.41 0.00 1.68 2.00 0.00 3.16 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 12 T 7.44 4.00 4.02 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 0.23 0.00 0.00 13 G 7.42 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 14 R 8.42 3.94 0.00 1.82 1.92 0.00 3.21 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 15 R 8.50 4.32 0.00 1.81 1.87 0.00 3.21 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 16 N 8.53 4.71 0.00 2.69 2.76 0.00 0.00 6.90 7.35 0.00 0.00 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 A 8.02 4.54 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 18 I 7.88 2.78 1.84 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 1.35 0.41 0.87 0.00 0.00 19 H 10.03 5.13 0.00 3.45 3.50 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.76 4.57 0.00 2.75 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