NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3911 8.1576 122.0490 56.3716 34.0004 174.1166 2 S 4.6790 8.4731 121.3620 56.9872 64.6566 172.6733 3 C 4.9862 9.8375 121.6321 55.4190 43.6900 173.6026 4 C 5.6444 9.1384 121.3027 54.4400 42.9913 173.6974 5 P 3.9073 0.0000 0.0000 65.1082 31.7302 176.6326 6 S 4.5918 7.4761 112.4274 56.4553 66.6055 175.3581 7 T 3.8921 8.4005 119.1868 67.0986 68.0850 177.0315 8 T 3.9710 7.9485 117.3225 66.5054 68.4760 176.6378 9 G 3.6861 8.2498 107.6946 47.8632 0.0000 175.4559 10 R 3.9566 8.1251 121.2959 59.3944 30.0169 178.3885 11 N 4.3814 8.4977 116.3101 56.2291 38.4450 177.4378 12 I 3.6937 8.0418 121.4341 64.5446 37.2791 177.6653 13 Y 4.0180 8.2747 120.3673 60.9444 38.4065 178.0144 14 N 4.3601 8.2907 115.8839 56.5973 39.0208 177.2225 15 T 3.9796 8.0729 117.1477 66.8717 68.5777 175.7865 16 C 4.1907 8.3677 120.5680 59.8036 38.2695 175.7973 17 R 3.6300 7.8594 119.1190 58.4932 29.3618 178.5304 18 L 4.1799 7.4932 117.8902 56.7429 41.7531 178.3699 19 T 4.1821 7.5742 108.6181 61.9232 69.1795 175.6820 20 G 3.8987 7.8197 109.6899 45.5905 0.0000 174.2066 21 S 4.2610 7.4376 115.1885 57.9802 63.5647 174.9230 22 S 4.3951 8.2665 117.6506 58.1167 64.9185 175.5795 23 R 3.9805 8.4364 121.4604 59.4179 29.8415 178.9427 24 E 3.9653 8.1549 118.5844 59.5503 29.4478 178.6880 25 T 3.8564 7.9762 115.7221 67.1144 68.4327 175.9890 26 C 4.3023 8.4192 118.0444 59.6691 35.5114 175.9303 27 A 4.1315 8.6631 123.0384 55.0697 17.7275 179.7408 28 K 3.9371 7.8354 115.8831 59.8574 32.3129 179.4463 29 L 4.1722 7.6106 117.4166 56.8679 41.5886 178.6746 30 S 4.7096 7.8440 112.1916 57.2640 63.8142 174.9976 31 G 3.9413 7.6446 110.2107 46.5151 0.0000 172.9698 32 C 4.8760 7.7752 116.7502 55.9254 40.9704 173.0406 33 K 4.5880 8.6430 119.5120 54.6903 35.0237 175.5482 34 I 4.6625 8.1596 124.3647 60.0557 38.3205 175.1492 35 I 4.4280 8.7683 128.2083 59.6830 40.1957 176.8042 36 S 4.4350 8.7531 123.3639 56.9018 61.4342 172.8736 37 A 4.6268 7.6009 125.9714 50.9158 22.1074 176.5683 38 S 4.5127 8.4903 112.9967 59.0379 63.8480 174.0306 39 T 4.7232 7.4515 109.7920 60.1665 71.7729 173.4344 40 C 4.9243 8.3900 119.0812 54.4592 41.5653 172.3088 41 P 4.6980 0.0000 0.0000 61.9545 32.0078 177.4963 42 S 4.1747 8.5931 114.0208 61.1055 62.8921 175.1344 43 N 4.4310 8.0563 116.3566 54.0333 38.2476 174.4722 44 Y 4.7837 7.6327 115.9450 56.0926 38.1443 173.6110 45 P 4.5264 0.0000 0.0000 63.4373 33.0903 177.1584 46 K 4.1691 8.3687 124.9329 56.6433 32.1202 176.1390 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 K 8.16 4.39 0.00 1.92 1.83 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.43 7.81 2 S 8.47 4.68 0.00 2.96 3.16 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 0.00 0.00 0.00 0.00 3 C 9.84 4.99 0.00 2.73 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 C 9.14 5.64 0.00 2.86 2.96 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 0.00 0.00 0.00 5 P 0.00 3.91 0.00 2.11 2.05 0.00 3.89 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 6 S 7.48 4.59 0.00 4.02 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.40 3.89 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 1.22 0.00 0.00 8 T 7.95 3.97 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 9 G 8.25 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.13 3.96 0.00 1.97 2.18 0.00 3.20 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 11 N 8.50 4.38 0.00 2.92 2.87 0.00 0.00 7.07 8.12 0.00 0.00 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 I 8.04 3.69 2.05 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 1.43 0.88 0.95 0.00 0.00 13 Y 8.27 4.02 0.00 3.12 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 14 N 8.29 4.36 0.00 2.84 2.90 0.00 0.00 7.15 7.37 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 15 T 8.07 3.98 4.41 0.00 0.00 0.00 0.00 0.00 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 16 C 8.37 4.19 0.00 2.95 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 17 R 7.86 3.63 0.00 1.82 1.82 0.00 3.26 0.00 0.00 2.79 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.19 0.00 18 L 7.49 4.18 0.00 1.75 1.70 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.57 4.18 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 1.27 0.00 0.00 20 G 7.82 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.44 4.26 0.00 3.96 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 22 S 8.27 4.40 0.00 4.05 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 23 R 8.44 3.98 0.00 1.93 2.16 0.00 3.18 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.74 0.00 24 E 8.15 3.97 0.00 2.05 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 2.39 2.41 0.00 25 T 7.98 3.86 4.38 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 1.20 0.00 0.00 26 C 8.42 4.30 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.66 4.13 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 3.94 0.00 1.97 1.91 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.69 7.81 29 L 7.61 4.17 0.00 1.64 1.76 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.84 4.71 0.00 4.29 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 31 G 7.64 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.78 4.88 0.00 2.69 2.96 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 0.00 0.00 0.00 33 K 8.64 4.59 0.00 1.18 1.37 0.00 1.42 0.00 0.00 1.42 0.00 0.00 2.49 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.52 7.81 34 I 8.16 4.66 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 1.34 0.84 0.90 0.00 0.00 35 I 8.77 4.43 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.48 0.87 0.00 0.00 36 S 8.75 4.43 0.00 3.84 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 37 A 7.60 4.63 1.18 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 38 S 8.49 4.51 0.00 3.98 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 39 T 7.45 4.72 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 40 C 8.39 4.92 0.00 2.98 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 41 P 0.00 4.70 0.00 2.51 2.22 0.00 3.76 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 2.27 2.02 0.00 42 S 8.59 4.17 0.00 3.99 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 43 N 8.06 4.43 0.00 2.55 2.88 0.00 0.00 5.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.63 4.78 0.00 2.90 2.89 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 45 P 0.00 4.53 0.00 2.17 2.27 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 46 K 8.37 4.17 0.00 1.89 1.74 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.40 7.81