NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3004 8.4293 121.4701 55.7186 31.2072 176.3275 4 E 4.4017 7.8191 113.7516 55.0191 31.1438 175.9837 5 K 3.9635 8.1121 121.6208 59.4785 33.1823 179.3079 6 R 3.8208 7.9478 118.5744 59.7050 30.0036 177.8388 7 N 4.2576 8.2253 115.5243 56.6017 38.3984 177.3567 8 R 3.9008 7.7705 118.6664 59.2144 30.1043 179.0117 9 A 3.9853 7.8929 120.4074 55.0858 18.4076 179.4594 10 I 3.6386 8.1810 118.7856 65.2326 37.1988 178.8406 11 T 3.9226 8.3074 116.2898 66.4334 68.0873 176.5215 12 A 4.1303 7.7299 123.0798 54.9984 18.3961 179.2179 13 R 3.8669 8.4243 116.9547 59.8290 30.2506 178.8699 14 R 3.9063 7.9684 117.3297 59.5703 29.8720 179.0454 15 Q 4.0361 8.2858 117.8335 59.1466 28.6564 178.6385 16 H 4.2293 8.5185 119.5566 59.3814 29.9829 177.2942 17 L 3.8818 8.1107 120.9354 57.8372 41.5205 179.7894 18 K 4.1122 7.9956 118.0408 59.2754 31.7779 179.3932 19 S 4.1109 7.7063 113.5679 61.0568 62.1895 176.3721 20 V 3.5144 7.7038 120.9749 66.2891 31.2414 177.4479 21 M 3.9173 8.2672 118.8130 58.8987 31.8370 178.6073 22 L 3.9310 7.7913 118.0663 58.0588 41.7276 179.6709 23 Q 3.8871 7.7832 119.0736 59.2566 29.0298 177.8987 24 I 3.6849 7.9545 120.9221 64.7104 37.1284 177.8149 25 A 3.9399 8.2855 121.0928 55.3204 17.9821 178.9405 26 A 3.8790 8.2386 118.1839 55.8918 18.7944 179.3650 27 T 3.9797 8.7667 113.5779 67.1017 68.8948 176.2223 28 E 3.9638 8.4413 120.7984 59.3278 29.4018 178.6961 29 L 4.1885 7.9479 117.8602 56.9199 42.0270 178.5731 30 E 4.3290 7.9793 118.8225 58.7233 29.5600 178.6700 31 K 4.1675 7.5162 116.0534 58.5817 32.1738 178.4920 32 E 4.1527 8.0392 117.3507 57.8097 29.4445 176.4694 33 E 4.1854 7.9032 123.8189 56.5178 29.6522 176.2011 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 3 E 8.43 4.30 0.00 1.92 2.04 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 2.19 2.37 0.00 4 E 7.82 4.40 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 5 K 8.11 3.96 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.49 7.81 6 R 7.95 3.82 0.00 1.96 1.91 0.00 3.30 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 7 N 8.23 4.26 0.00 2.80 2.87 0.00 0.00 6.97 7.66 0.00 0.00 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 R 7.77 3.90 0.00 2.06 1.98 0.00 3.29 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.77 0.00 9 A 7.89 3.99 1.38 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 0.00 0.00 0.00 10 I 8.18 3.64 1.96 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 1.52 0.68 0.91 0.00 0.00 11 T 8.31 3.92 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 12 A 7.73 4.13 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.42 3.87 0.00 1.91 2.14 0.00 3.20 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 14 R 7.97 3.91 0.00 2.17 1.97 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 15 Q 8.29 4.04 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 16 H 8.52 4.23 0.00 3.18 3.54 0.00 5.61 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 17 L 8.11 3.88 0.00 1.84 1.68 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.00 4.11 0.00 1.93 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.56 7.81 19 S 7.71 4.11 0.00 3.89 4.09 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 20 V 7.70 3.51 2.16 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 1.03 0.00 0.00 0.75 0.00 0.00 21 M 8.27 3.92 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.61 0.00 22 L 7.79 3.93 0.00 1.91 1.74 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.78 3.89 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 24 I 7.95 3.68 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.47 0.90 0.00 0.00 25 A 8.29 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 26 A 8.24 3.88 1.38 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 0.00 0.00 0.00 27 T 8.77 3.98 4.39 0.00 0.00 0.00 0.00 0.00 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 28 E 8.44 3.96 0.00 2.11 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 0.00 2.31 2.36 0.00 29 L 7.95 4.19 0.00 1.81 1.71 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.98 4.33 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 31 K 7.52 4.17 0.00 1.83 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.57 7.81 32 E 8.04 4.15 0.00 2.11 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 2.31 2.61 0.00 33 E 7.90 4.19 0.00 2.13 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00