NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5243 8.1633 118.7933 54.5574 34.1132 177.6548 3 K 3.9323 7.9313 119.4050 58.8379 32.1379 177.9239 4 Q 4.0217 8.8063 119.1837 58.8046 29.0687 178.3157 5 L 4.0066 7.8404 119.6439 57.8194 41.7204 179.0730 6 E 3.9530 8.6305 118.9967 59.4156 29.3860 178.8907 7 D 4.3116 8.1821 117.9983 57.3863 41.3414 178.5781 8 K 4.0132 8.1045 118.9127 59.4704 31.9605 179.4243 9 I 3.7034 7.9346 120.1898 64.4187 36.9483 178.1449 10 E 3.9446 8.4237 120.2244 59.1623 29.4321 178.6294 11 E 3.9664 8.2820 118.7746 59.5307 29.4433 179.1138 12 N 4.3820 8.1551 116.3436 56.5819 38.5768 177.5258 13 T 3.8768 8.2745 117.5627 66.6974 68.5505 176.5976 14 S 4.0976 8.3819 115.1584 61.3353 62.4650 176.2451 15 K 4.0547 8.2102 121.1969 59.6379 31.7432 179.3629 16 I 3.7209 8.1603 120.3366 64.3571 37.1398 177.5960 17 Y 4.0132 8.1574 120.4053 61.3157 38.5845 178.2124 18 H 4.1479 8.3405 116.8030 58.8886 28.7399 177.6208 19 N 4.3464 8.3708 118.3596 56.5854 38.3677 177.5137 20 T 3.8274 8.2229 117.5497 66.7192 68.5090 176.4172 21 N 4.2228 7.7676 117.9426 56.2171 38.5490 177.1719 22 E 3.9419 8.1633 120.7938 59.1019 29.6583 178.7843 23 I 3.6638 8.1430 120.1832 64.4077 37.2146 178.1952 24 A 3.9829 8.0440 121.4835 54.9870 18.1762 179.6219 25 R 3.8091 7.9901 117.1792 59.8205 30.1772 178.6149 26 N 4.3635 8.2455 116.1951 56.4138 38.3463 177.4363 27 T 3.8397 8.2713 117.6993 66.6422 68.3597 176.4176 28 K 3.9437 7.8531 119.9593 59.5666 32.2953 178.5549 29 L 4.1410 7.6812 118.2053 57.6813 41.6469 179.3308 30 V 3.9717 7.9156 110.6058 62.7115 31.7289 177.0757 31 G 3.8726 7.6419 110.5478 44.9814 0.0000 173.1508 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 2 M 8.16 4.52 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.14 0.00 3 K 7.93 3.93 0.00 1.84 1.88 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.53 7.81 4 Q 8.81 4.02 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 5 L 7.84 4.01 0.00 1.87 1.71 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.63 3.95 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 7 D 8.18 4.31 0.00 2.92 2.83 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 8 K 8.10 4.01 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.64 7.81 9 I 7.93 3.70 2.01 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 1.41 0.83 0.91 0.00 0.00 10 E 8.42 3.94 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 11 E 8.28 3.97 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 12 N 8.16 4.38 0.00 2.93 2.88 0.00 0.00 7.05 7.03 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 13 T 8.27 3.88 4.40 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 1.22 0.00 0.00 14 S 8.38 4.10 0.00 3.87 4.03 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 15 K 8.21 4.05 0.00 2.04 1.88 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.67 7.81 16 I 8.16 3.72 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.79 0.93 0.00 0.00 17 Y 8.16 4.01 0.00 3.04 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 18 H 8.34 4.15 0.00 3.28 3.33 0.00 5.68 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 19 N 8.37 4.35 0.00 2.94 2.86 0.00 0.00 7.02 6.67 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 20 T 8.22 3.83 4.22 0.00 0.00 0.00 0.00 0.00 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 21 N 7.77 4.22 0.00 2.74 2.74 0.00 0.00 6.67 6.94 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 22 E 8.16 3.94 0.00 2.07 1.91 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 0.00 2.29 2.37 0.00 23 I 8.14 3.66 1.97 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 1.44 0.60 0.89 0.00 0.00 24 A 8.04 3.98 1.33 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 0.00 0.00 0.00 25 R 7.99 3.81 0.00 1.88 2.13 0.00 3.09 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 26 N 8.25 4.36 0.00 2.90 2.84 0.00 0.00 7.08 6.42 0.00 0.00 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 T 8.27 3.84 4.40 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 1.20 0.00 0.00 28 K 7.85 3.94 0.00 1.75 2.00 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 29 L 7.68 4.14 0.00 1.81 1.71 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.92 3.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.00 0.00 0.00 31 G 7.64 3.87 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 0.00 0.00 0.00