NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.7434 8.1548 116.6898 56.1127 31.0327 174.3643 2 E 4.8115 8.4772 117.9372 55.6580 32.9582 175.3017 3 C 3.9446 8.3929 120.7580 57.5473 39.6648 176.9643 4 Y 3.6302 7.6456 112.3061 57.7517 39.3747 172.1681 5 L 5.2386 8.0428 115.7157 52.0172 44.2504 176.3509 6 N 4.6889 7.9918 117.8421 52.4418 39.6489 174.1274 7 P 4.7980 0.0000 0.0000 64.3142 31.7648 175.2902 8 H 4.5936 7.5916 117.5879 55.6661 31.8646 172.5077 9 D 4.1849 7.8329 118.2512 56.3085 41.4316 178.8287 10 T 3.8749 7.6390 115.2732 63.4776 67.5546 169.8613 11 Q 4.3416 8.5116 122.3023 55.6500 34.3270 172.3233 12 T 4.5421 8.1347 109.6163 61.4583 70.0344 172.0272 13 C 5.0442 8.2959 120.1159 55.0859 43.5068 172.5823 14 P 4.6805 0.0000 0.0000 63.3315 31.7540 176.6611 15 S 4.7349 7.5978 114.4163 56.6454 64.6800 172.8817 16 G 4.0966 8.8841 108.1476 49.1011 0.0000 174.4455 17 Q 4.2756 7.9273 118.0520 55.8752 29.3263 176.2426 18 E 4.8011 8.5153 115.6146 56.1464 31.1819 174.9456 19 I 4.6168 7.6312 120.3126 60.3750 40.3371 173.8124 20 C 6.0807 8.9249 123.6716 54.1995 46.9106 172.5995 21 Y 5.0724 8.7614 124.2868 55.6711 40.9808 174.8274 22 V 4.3813 8.1038 113.6898 59.4251 34.8011 174.4454 23 K 5.2113 8.9710 127.7795 54.8984 34.2542 175.3190 24 S 4.7589 9.5498 122.2236 56.7840 65.8603 172.7773 25 W 5.5468 7.8380 121.5229 55.1297 31.6777 173.4426 26 C 4.7509 8.8253 117.9715 55.6307 42.7206 171.2357 27 N 5.1030 8.3810 117.4565 51.3098 41.2000 174.5785 28 A 4.3404 8.7005 121.5385 53.6538 18.8690 178.1227 29 W 5.0486 8.1072 114.4456 56.4475 31.0993 175.1768 30 C 4.5747 8.2088 110.9283 55.8200 40.6894 172.3691 31 S 3.9799 7.7430 116.9977 59.2050 61.8682 173.8057 32 S 3.7269 8.3684 120.4189 59.7513 60.6688 171.6501 33 R 4.5243 8.1186 116.7749 56.2774 32.0094 177.6153 34 G 4.1473 8.6217 108.6460 43.5460 0.0000 172.5551 35 K 3.6538 7.7678 118.4893 57.5045 33.3560 178.2858 36 V 3.9066 7.3554 122.4752 60.9886 29.9069 173.5453 37 L 4.4145 7.1368 122.0669 52.3044 44.5730 175.7224 38 E 4.2631 8.8573 120.5528 54.7259 33.4465 174.1592 39 F 5.1146 8.1165 119.9417 56.0419 42.3414 174.4261 40 G 4.5138 7.6236 109.5752 45.6874 0.0000 171.0747 41 C 5.4443 9.0413 123.9081 56.1654 40.5165 172.9969 42 A 4.3896 8.6112 122.8343 52.2713 22.5463 176.6044 43 A 4.3199 8.7041 119.2406 52.8607 20.7784 177.4373 44 T 4.4670 7.6726 108.0483 60.6166 70.3186 172.8536 45 C 3.7700 8.8039 128.5473 55.8700 43.1643 171.7941 46 P 4.6216 0.0000 0.0000 62.0959 33.0423 175.1337 47 S 4.8801 8.1265 113.0148 57.8555 64.0077 175.1801 48 V 4.2115 7.3316 114.5945 60.4980 31.4491 176.4607 49 N 4.1514 8.8878 120.9097 56.3279 38.7101 177.7236 50 T 4.3560 8.7155 116.4738 62.1809 67.8984 174.0292 51 G 4.0455 8.5136 102.8242 46.2593 0.0000 172.8489 52 T 4.6980 7.7002 115.0254 61.6879 71.3041 175.4668 53 E 4.5116 8.8830 125.2636 55.3751 30.1455 175.5890 54 I 5.3943 8.0922 124.8651 59.7061 39.5250 174.4627 55 K 4.5329 8.2185 123.3737 55.9365 36.1960 174.5349 56 C 4.9487 8.5739 119.8781 55.6654 35.6517 174.1667 57 C 5.1610 8.9855 123.1103 55.3647 46.9816 174.4770 58 S 5.2831 8.8788 114.9813 57.3976 66.9898 173.2165 59 A 4.5434 7.5489 127.8118 52.6124 25.0119 176.4563 60 D 4.9140 9.3207 116.7987 56.1857 41.7693 175.9419 61 K 5.0657 7.7462 113.9891 55.4175 33.3286 178.1894 62 C 4.0229 8.1632 117.8803 59.4478 40.6420 173.4317 63 N 4.9445 7.4078 114.1863 51.0433 36.7699 172.3680 64 T 4.4028 7.5699 114.3346 63.8364 73.3545 173.1735 65 Y 4.2157 8.4180 117.6135 58.6045 36.3392 169.3740 66 P 4.1598 0.0000 0.0000 62.3227 31.6221 177.1814 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 R 8.15 4.74 0.00 2.04 2.09 0.00 2.80 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 2 E 8.48 4.81 0.00 2.14 1.95 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 2.41 2.48 0.00 3 C 8.39 3.94 0.00 3.01 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.65 3.63 0.00 3.24 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.04 5.24 0.00 1.65 1.61 1.08 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 6 N 7.99 4.69 0.00 2.75 2.84 0.00 0.00 6.23 7.91 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 7 P 0.00 4.80 0.00 2.04 2.08 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 8 H 7.59 4.59 0.00 2.27 2.75 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.83 4.18 0.00 2.56 2.63 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 10 T 7.64 3.87 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 1.11 0.00 0.00 11 Q 8.51 4.34 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.14 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 12 T 8.13 4.54 4.33 0.00 0.00 0.00 0.00 0.00 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 13 C 8.30 5.04 0.00 3.05 3.01 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 14 P 0.00 4.68 0.00 2.25 2.17 0.00 3.85 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 15 S 7.60 4.73 0.00 3.87 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.88 4.10 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 0.00 0.00 0.00 17 Q 7.93 4.28 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 18 E 8.52 4.80 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 19 I 7.63 4.62 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.08 0.96 0.00 0.00 20 C 8.92 6.08 0.00 3.20 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 21 Y 8.76 5.07 0.00 3.12 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.10 4.38 0.67 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 0.09 0.00 0.00 0.69 0.00 0.00 23 K 8.97 5.21 0.00 2.38 2.36 0.00 1.27 0.00 0.00 1.03 0.00 0.00 2.92 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.86 1.55 7.81 24 S 9.55 4.76 0.00 3.92 4.05 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 25 W 7.84 5.55 0.00 3.34 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.83 4.75 0.00 2.91 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 27 N 8.38 5.10 0.00 2.83 2.80 0.00 0.00 6.97 8.28 0.00 0.00 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 A 8.70 4.34 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 29 W 8.11 5.05 0.00 3.34 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.21 4.57 0.00 3.06 3.30 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 0.00 31 S 7.74 3.98 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 3.73 0.00 3.97 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.12 4.52 0.00 1.85 1.66 0.00 3.37 0.00 0.00 3.25 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 34 G 8.62 4.15 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 0.00 0.00 0.00 35 K 7.77 3.65 0.00 1.60 1.58 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.66 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.39 7.81 36 V 7.36 3.91 1.87 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 1.03 0.00 0.00 0.98 0.00 0.00 37 L 7.14 4.41 0.00 1.59 1.40 0.16 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.86 4.26 0.00 1.91 1.92 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 2.48 2.46 0.00 39 F 8.12 5.11 0.00 2.79 2.75 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 40 G 7.62 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 9.04 5.44 0.00 3.26 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 42 A 8.61 4.39 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 43 A 8.70 4.32 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 44 T 7.67 4.47 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 45 C 8.80 3.77 0.00 3.00 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 46 P 0.00 4.62 0.00 2.17 1.99 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.82 0.00 47 S 8.13 4.88 0.00 3.97 3.84 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 48 V 7.33 4.21 2.09 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 0.80 0.00 0.00 1.01 0.00 0.00 49 N 8.89 4.15 0.00 2.65 2.53 0.00 0.00 7.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.72 4.36 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 1.14 0.00 0.00 51 G 8.51 4.05 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 52 T 7.70 4.70 4.20 0.00 0.00 0.00 0.00 0.00 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 53 E 8.88 4.51 0.00 2.09 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 2.36 2.53 0.00 54 I 8.09 5.39 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.28 0.97 0.00 0.00 55 K 8.22 4.53 0.00 1.70 1.50 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.38 7.81 56 C 8.57 4.95 0.00 2.94 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 57 C 8.99 5.16 0.00 2.73 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 58 S 8.88 5.28 0.00 3.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.55 4.54 1.04 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 0.00 0.00 60 D 9.32 4.91 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.75 5.07 0.00 2.00 2.02 0.00 1.76 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.38 7.81 62 C 8.16 4.02 0.00 2.92 1.74 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 0.00 0.00 0.00 0.00 63 N 7.41 4.94 0.00 2.86 2.89 0.00 0.00 6.96 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 7.57 4.40 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 1.25 0.00 0.00 65 Y 8.42 4.22 0.00 2.93 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 66 P 0.00 4.16 0.00 2.10 1.91 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00