NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4912 8.2893 118.1959 54.4844 32.7108 175.4568 2 P 4.1030 0.0000 0.0000 65.3935 31.6471 175.7648 3 C 4.9024 7.6299 114.8273 54.9805 38.7021 173.8021 4 S 4.6306 8.0105 112.9593 57.7278 66.0566 173.5237 5 C 4.9205 8.8832 124.2448 55.7489 37.0454 171.4705 6 K 4.6917 8.7079 122.9506 53.6831 33.8808 177.4537 7 K 4.1672 8.9852 125.0300 58.9110 32.5186 176.0507 8 Y 4.9131 7.4780 114.2437 55.2356 41.1264 174.6774 9 C 4.4321 8.4108 117.5050 55.3540 43.4803 173.8251 10 D 4.3788 7.4184 122.8303 52.1146 41.8586 175.6765 11 P 4.1449 0.0000 0.0000 65.4879 31.3454 177.6277 12 W 4.8032 7.6009 113.2411 56.1238 28.3339 174.5884 13 E 5.0837 7.4181 118.7838 53.8533 32.3344 175.1465 14 V 4.5556 8.4718 124.0595 60.8725 35.5738 173.5948 15 I 3.9717 8.4367 120.0782 62.2708 37.0644 174.8757 16 D 4.7125 8.8429 122.0231 53.8504 43.3656 174.6674 17 G 4.2426 7.3607 102.7665 46.4155 0.0000 171.8524 18 S 5.2389 8.8143 113.7112 56.8612 65.6593 172.2730 19 C 4.8129 8.2812 116.7129 54.1081 45.0761 174.0046 20 G 4.1301 8.8100 105.9060 46.2703 0.0000 171.9499 21 L 3.8367 8.8488 125.2640 57.3669 39.2042 178.5389 22 F 4.1797 9.3307 117.9616 57.2873 39.1726 175.7813 23 N 4.2450 8.0604 111.6552 54.2297 36.6292 176.3806 24 S 4.1044 7.5963 115.6062 60.8846 63.2719 174.7040 25 K 4.4789 7.2104 119.8696 55.1795 34.5297 175.0753 26 Y 4.8898 8.3708 120.2172 56.4398 42.5530 175.2007 27 I 4.7848 8.4748 124.7877 60.5524 36.6273 172.1572 28 C 4.9560 8.8647 126.1389 55.6244 43.0651 171.5662 29 C 4.9755 8.6251 126.1979 54.5495 46.3329 172.7207 30 R 5.2108 8.3087 118.0203 55.5133 29.6941 176.6139 31 E 4.2797 8.9627 120.0203 58.3104 30.3397 177.0135 32 K 4.1156 7.7996 121.8946 57.3355 32.0860 175.1736 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 M 8.29 4.49 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 2 P 0.00 4.10 0.00 2.29 2.22 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 3 C 7.63 4.90 0.00 2.98 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 4 S 8.01 4.63 0.00 3.86 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.88 4.92 0.00 3.00 3.05 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 6 K 8.71 4.69 0.00 1.57 1.36 0.00 1.66 0.00 0.00 1.35 0.00 0.00 2.75 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.29 1.28 7.81 7 K 8.99 4.17 0.00 1.83 2.08 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.56 7.81 8 Y 7.48 4.91 0.00 3.05 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.41 4.43 0.00 2.83 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.42 4.38 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.14 0.00 2.21 2.16 0.00 2.91 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 12 W 7.60 4.80 0.00 3.49 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.42 5.08 0.00 1.37 1.51 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 1.97 2.02 0.00 14 V 8.47 4.56 2.12 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 0.93 0.00 0.00 0.97 0.00 0.00 15 I 8.44 3.97 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.67 0.75 0.00 0.00 16 D 8.84 4.71 0.00 2.64 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.36 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 0.00 0.00 0.00 0.00 18 S 8.81 5.24 0.00 3.84 3.85 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 0.00 0.00 0.00 19 C 8.28 4.81 0.00 2.94 3.18 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 20 G 8.81 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.85 3.84 0.00 1.93 1.56 1.09 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.33 4.18 0.00 3.12 3.07 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 0.00 0.00 0.00 23 N 8.06 4.24 0.00 2.85 2.82 0.00 0.00 7.24 7.52 0.00 0.00 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 S 7.60 4.10 0.00 3.88 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 25 K 7.21 4.48 0.00 1.82 1.62 0.00 1.49 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 1.34 1.42 7.81 26 Y 8.37 4.89 0.00 3.03 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.47 4.78 1.87 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 1.11 0.94 0.92 0.00 0.00 28 C 8.86 4.96 0.00 2.96 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 29 C 8.63 4.98 0.00 3.07 2.92 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 0.00 0.00 0.00 30 R 8.31 5.21 0.00 2.12 2.14 0.00 2.88 0.00 0.00 3.11 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 31 E 8.96 4.28 0.00 2.14 2.05 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 2.38 2.36 0.00 32 K 7.80 4.12 0.00 1.84 1.74 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.45 7.81