NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4146 8.1627 120.3486 55.5176 34.3711 177.3081 3 K 3.9766 7.8105 120.3372 58.5813 32.0916 177.1528 4 Q 4.0673 8.9039 119.3773 58.5298 29.1433 177.6973 5 I 3.6899 7.7466 120.6166 64.6398 37.1561 178.1303 6 E 4.1178 8.4610 119.3522 59.2893 29.2311 179.1183 7 D 4.6459 8.0234 119.1996 57.2829 40.7961 178.9862 8 K 4.1672 8.3349 120.1777 58.5537 32.0128 178.9047 9 A 3.9616 8.4868 121.5891 55.5041 18.1527 179.2751 10 E 3.8979 8.0993 116.4777 59.8729 29.4091 179.4156 11 E 3.9707 8.0766 118.1876 59.6639 29.4742 179.6863 12 I 3.7548 7.8236 119.5669 64.4142 37.1255 178.5232 13 L 3.6491 8.0279 119.9572 57.7980 41.4668 179.6014 14 S 4.2814 8.3933 113.3478 61.0456 62.2403 176.3494 15 K 4.0844 8.2557 121.6459 59.1619 31.7016 179.2724 16 L 3.9295 8.0415 119.5111 58.0641 41.5276 179.1810 17 Y 4.2867 7.9285 116.8274 61.1777 37.6814 177.8711 18 H 4.2199 8.3250 119.1899 59.6348 29.8699 177.3705 19 I 3.6619 7.9781 121.3951 64.2888 36.9103 178.0743 20 E 3.9778 8.3745 119.5874 59.7747 29.3643 179.3630 21 N 4.4153 8.1155 116.1757 56.1484 38.7242 177.3398 22 E 3.9683 8.7418 120.3409 59.5695 29.5501 179.5275 23 L 4.0159 8.3466 119.0650 57.5487 41.6391 179.4648 24 A 3.9696 7.9209 120.9163 55.2172 18.4709 179.7182 25 R 3.9045 8.1012 117.1371 59.4232 29.9746 178.9060 26 I 3.7488 7.8096 119.9710 64.0637 37.0983 178.2043 27 K 3.9011 8.0440 120.5868 59.2159 32.1530 178.5746 28 K 3.8474 8.0637 119.9210 59.5804 31.8632 178.7093 29 L 3.9653 7.4982 117.0274 57.9337 41.7021 179.0408 30 L 4.2223 7.9539 117.7518 57.8648 41.6881 179.5014 31 G 3.7647 7.9457 103.3710 46.3185 0.0000 174.0011 32 E 4.3385 7.9113 124.9188 56.5903 29.7962 175.9665 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 4.41 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 3 K 7.81 3.98 0.00 1.98 1.80 0.00 1.70 0.00 0.00 2.06 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.62 7.81 4 Q 8.90 4.07 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 5 I 7.75 3.69 2.04 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 1.63 0.76 0.91 0.00 0.00 6 E 8.46 4.12 0.00 2.15 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 2.51 0.00 7 D 8.02 4.65 0.00 2.89 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 8 K 8.33 4.17 0.00 1.92 1.84 0.00 1.70 0.00 0.00 1.95 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.45 7.81 9 A 8.49 3.96 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 10 E 8.10 3.90 0.00 2.25 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 2.35 2.47 0.00 11 E 8.08 3.97 0.00 2.03 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 2.34 2.72 0.00 12 I 7.82 3.75 2.02 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 1.50 0.63 0.86 0.00 0.00 13 L 8.03 3.65 0.00 1.60 1.41 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.39 4.28 0.00 3.94 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 15 K 8.26 4.08 0.00 2.07 1.83 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.63 7.81 16 L 8.04 3.93 0.00 1.63 1.51 0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.93 4.29 0.00 2.93 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.33 4.22 0.00 3.44 3.49 0.00 5.78 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 19 I 7.98 3.66 2.02 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 1.50 0.59 0.90 0.00 0.00 20 E 8.37 3.98 0.00 2.35 2.07 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 2.36 2.57 0.00 21 N 8.12 4.42 0.00 3.00 2.89 0.00 0.00 7.07 7.73 0.00 0.00 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 8.74 3.97 0.00 1.89 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 2.24 2.41 0.00 23 L 8.35 4.02 0.00 1.87 1.71 0.92 0.81 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 24 A 7.92 3.97 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 25 R 8.10 3.90 0.00 2.04 2.12 0.00 3.11 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 26 I 7.81 3.75 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 1.40 0.52 0.91 0.00 0.00 27 K 8.04 3.90 0.00 1.94 2.01 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 28 K 8.06 3.85 0.00 2.08 1.93 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.49 7.81 29 L 7.50 3.97 0.00 1.80 1.71 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.95 4.22 0.00 1.60 1.74 0.92 1.16 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 31 G 7.95 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.91 4.34 0.00 2.11 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 0.00 2.32 2.52 0.00