NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6462 8.2076 120.5333 54.5744 43.3173 177.4363 2 Y 4.0467 8.1935 117.7425 59.5631 37.7689 177.0157 3 L 3.5985 7.4369 121.5877 57.6304 42.2372 180.6842 4 R 3.9330 7.7588 117.4120 59.1629 29.9765 178.8755 5 E 4.0081 8.2674 118.5796 59.3384 29.4568 179.2866 6 L 4.0310 7.9359 119.1307 57.7210 41.5770 179.3686 7 L 3.9818 7.9098 120.2172 57.8223 41.9134 178.9242 8 K 3.9244 8.1480 119.7346 59.5216 32.0747 178.8478 9 L 4.2756 7.9974 120.6085 57.3129 41.4260 179.4182 10 E 4.0182 8.4086 118.6394 59.3711 29.4621 179.3854 11 L 3.9868 8.2515 119.3280 57.6703 41.5679 179.2401 12 Q 3.9628 8.3434 118.1154 59.3123 28.6760 179.3663 13 A 4.1151 8.3268 121.5909 55.1321 18.4389 179.6995 14 I 3.7598 8.1392 118.6898 64.3826 37.2614 178.4672 15 K 3.9527 8.0545 120.4025 59.7584 31.9451 178.9285 16 Q 3.9932 7.7865 118.2179 59.0402 28.5205 178.2024 17 Y 4.0558 8.2888 118.1234 60.8609 37.8823 178.4893 18 R 3.9771 8.2206 119.1067 59.5307 30.2659 178.8708 19 E 4.0078 8.1534 117.6620 59.3593 29.3297 179.3609 20 A 4.0490 8.3044 120.9851 55.1638 18.2613 179.4748 21 L 4.0780 8.0999 118.1300 58.1106 42.1635 178.5914 22 E 4.0940 8.1194 118.8073 59.2573 29.6967 177.9397 23 Y 4.3398 7.9887 118.5611 58.9299 39.1535 176.1564 24 V 4.2389 7.7307 118.1792 59.6753 34.2340 176.8612 25 K 4.2957 8.4799 127.4066 55.5344 30.5747 177.3891 26 L 4.3244 7.4953 120.1424 53.3918 42.7702 176.8784 27 P 4.2486 0.0000 0.0000 65.5055 31.1649 178.9022 28 V 3.7162 7.7774 117.4221 64.4466 31.2725 178.2937 29 L 3.9762 8.2578 120.0699 57.5819 41.4419 179.1459 30 A 3.9303 7.9251 120.4117 54.8291 18.3851 179.4708 31 K 3.8494 7.8791 118.2333 59.5771 32.1922 179.1823 32 I 3.4976 7.7119 120.0971 64.3807 37.0063 178.2268 33 L 3.7555 7.7821 119.8488 57.9502 41.4866 179.6353 34 E 3.8762 8.1262 118.3732 59.3427 29.3019 179.0463 35 D 4.1494 7.7291 118.4126 57.4279 40.8182 178.7535 36 E 3.6904 8.1484 119.2453 59.2039 29.3718 179.0463 37 E 3.7901 8.0480 119.4840 58.9344 29.5542 178.8308 38 K 3.3273 7.4796 119.4214 59.3931 32.0364 178.4351 39 H 4.2318 7.8298 116.6320 59.0710 28.5524 177.8256 40 I 3.6883 7.8631 121.6170 64.1925 36.9241 178.0136 41 E 3.8711 7.9036 120.1379 59.1512 29.3648 178.9741 42 W 4.5085 8.0570 119.0276 59.9368 29.1199 178.5726 43 L 4.0529 8.3892 119.1697 57.8671 40.8263 179.3710 44 E 3.9994 8.3357 117.9306 59.6555 29.5546 179.3758 45 T 4.0834 8.0415 115.8010 66.7741 68.3787 176.9039 46 I 3.7561 7.8458 120.5852 64.1223 37.1601 177.5355 47 L 4.3116 7.8198 117.2218 54.3911 41.6596 177.1573 48 G 4.1248 8.2083 114.5183 45.9283 0.0000 173.6783 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 D 8.21 4.65 0.00 2.83 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 2 Y 8.19 4.05 0.00 3.38 3.20 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 0.00 3 L 7.44 3.60 0.00 1.34 1.50 0.71 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.76 3.93 0.00 1.82 1.95 0.00 3.11 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 5 E 8.27 4.01 0.00 2.22 2.03 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 2.50 2.53 0.00 6 L 7.94 4.03 0.00 1.88 1.74 1.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.91 3.98 0.00 1.78 1.80 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.15 3.92 0.00 2.08 1.86 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.53 7.81 9 L 8.00 4.28 0.00 1.93 1.73 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.41 4.02 0.00 2.13 2.02 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 2.56 2.54 0.00 11 L 8.25 3.99 0.00 1.68 1.72 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.34 3.96 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 13 A 8.33 4.12 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 3.76 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.05 0.92 0.00 0.00 15 K 8.05 3.95 0.00 1.86 2.01 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 16 Q 7.79 3.99 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 17 Y 8.29 4.06 0.00 3.18 2.95 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 18 R 8.22 3.98 0.00 2.08 2.01 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 19 E 8.15 4.01 0.00 2.19 1.99 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 2.33 2.55 0.00 20 A 8.30 4.05 1.40 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 0.00 0.00 0.00 21 L 8.10 4.08 0.00 1.92 1.90 0.93 1.00 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 22 E 8.12 4.09 0.00 2.06 2.20 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 2.39 2.35 0.00 23 Y 7.99 4.34 0.00 2.98 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 24 V 7.73 4.24 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 0.94 0.00 0.00 0.89 0.00 0.00 25 K 8.48 4.30 0.00 1.76 1.83 0.00 1.76 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.39 7.81 26 L 7.50 4.32 0.00 1.74 1.63 0.97 1.06 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 27 P 0.00 4.25 0.00 2.15 2.11 0.00 3.60 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 28 V 7.78 3.72 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 0.90 0.00 0.00 0.93 0.00 0.00 29 L 8.26 3.98 0.00 1.85 1.88 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.93 3.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 3.85 0.00 1.94 1.82 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.60 7.81 32 I 7.71 3.50 1.48 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.50 0.03 0.00 0.00 33 L 7.78 3.76 0.00 1.76 1.65 0.94 1.14 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 34 E 8.13 3.88 0.00 2.10 1.90 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 2.26 2.41 0.00 35 D 7.73 4.15 0.00 2.72 2.51 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 36 E 8.15 3.69 0.00 1.84 1.94 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 2.28 2.40 0.00 37 E 8.05 3.79 0.00 2.10 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 2.22 2.24 0.00 38 K 7.48 3.33 0.00 1.47 1.35 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.54 0.21 7.81 39 H 7.83 4.23 0.00 3.31 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.86 3.69 1.95 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 1.40 0.77 0.90 0.00 0.00 41 E 7.90 3.87 0.00 1.88 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 2.35 2.34 0.00 42 W 8.06 4.51 0.00 3.62 3.08 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 0.00 0.00 0.00 43 L 8.39 4.05 0.00 1.71 1.73 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.34 4.00 0.00 2.07 2.03 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 2.35 2.50 0.00 45 T 8.04 4.08 4.56 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 1.26 0.00 0.00 46 I 7.85 3.76 2.01 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 1.54 0.74 0.90 0.00 0.00 47 L 7.82 4.31 0.00 1.76 1.68 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.21 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00