NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4170 8.1627 120.3486 55.5792 34.3664 177.3738 3 K 3.7918 7.9579 119.1012 59.1857 32.1704 177.2228 4 Q 3.9959 8.8129 119.1996 58.8452 29.0410 178.0163 5 L 3.9896 7.8768 119.6110 57.8437 41.7120 179.1485 6 E 3.9305 8.5923 118.9566 59.2771 29.2834 178.6205 7 D 4.3450 8.2558 118.1445 57.6398 41.2579 178.7297 8 K 3.9525 8.3566 118.9314 59.4830 31.9485 179.3940 9 I 3.7098 7.9992 120.1963 64.5572 36.9675 178.3785 10 E 3.9593 8.3598 119.3492 59.3359 29.2482 179.2086 11 E 3.9684 8.4626 118.9151 59.4243 29.4148 179.1847 12 N 4.3501 8.2121 116.4485 56.7223 38.6586 177.5049 13 T 3.8651 8.1542 117.3432 66.7078 68.4908 176.6124 14 S 4.0858 8.3625 115.1427 61.3245 62.4138 176.2890 15 K 4.0548 8.1598 121.2049 59.5630 31.7536 179.3502 16 I 3.7044 8.1013 120.2789 64.4408 37.1324 177.7379 17 Y 4.0307 8.1393 120.2764 61.2416 38.6484 178.0700 18 H 4.1628 8.2833 117.0144 58.7345 28.7079 177.5407 19 N 4.3090 8.3988 118.4782 56.6896 38.4286 177.3957 20 T 3.8256 8.2053 117.4066 66.8743 68.5750 176.4148 21 N 4.2502 7.8280 118.0154 56.0548 38.5185 177.1954 22 E 3.8893 8.1611 120.8288 59.2236 29.7368 178.7502 23 I 3.6602 8.1033 120.0838 64.5080 37.2013 178.1976 24 A 4.0189 8.0199 121.3916 55.0559 18.1640 179.6820 25 R 3.8095 7.9146 117.0964 59.6985 30.1422 178.5447 26 N 4.3512 8.2174 116.2621 56.5266 38.2778 177.4257 27 T 3.8340 8.0836 116.6463 66.5849 68.9689 176.1848 28 K 4.0809 8.0509 121.3646 59.5909 32.0430 178.9207 29 L 4.0948 7.8345 117.9602 57.2413 41.6308 178.9658 30 V 4.0731 7.8760 110.4633 61.0773 32.0581 176.5957 31 G 3.9276 6.9498 107.5830 44.4937 0.0000 173.8934 32 E 4.1309 8.5312 118.3498 56.4881 29.5330 177.1560 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 4.42 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.59 0.00 3 K 7.96 3.79 0.00 1.91 1.78 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 Q 8.81 4.00 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 5 L 7.88 3.99 0.00 1.84 1.72 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.59 3.93 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 2.47 0.00 7 D 8.26 4.34 0.00 2.89 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.36 3.95 0.00 1.98 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.63 7.81 9 I 8.00 3.71 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 1.52 0.81 0.91 0.00 0.00 10 E 8.36 3.96 0.00 2.24 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 2.32 2.48 0.00 11 E 8.46 3.97 0.00 2.16 2.01 0.00 0.00 0.00 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 2.52 0.00 12 N 8.21 4.35 0.00 2.95 2.87 0.00 0.00 7.03 7.16 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 13 T 8.15 3.87 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 14 S 8.36 4.09 0.00 3.87 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.05 0.00 2.05 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 1.66 7.81 16 I 8.10 3.70 2.07 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 0.74 0.94 0.00 0.00 17 Y 8.14 4.03 0.00 3.02 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 18 H 8.28 4.16 0.00 3.28 3.32 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 8.40 4.31 0.00 2.89 2.86 0.00 0.00 7.00 6.65 0.00 0.00 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 8.21 3.83 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 21 N 7.83 4.25 0.00 2.71 2.73 0.00 0.00 6.69 7.37 0.00 0.00 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 3.89 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 2.29 2.37 0.00 23 I 8.10 3.66 1.98 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 0.52 0.89 0.00 0.00 24 A 8.02 4.02 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 25 R 7.91 3.81 0.00 1.90 2.11 0.00 3.09 0.00 0.00 3.15 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 8.22 4.35 0.00 2.92 2.84 0.00 0.00 7.07 6.35 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 27 T 8.08 3.83 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 1.20 0.00 0.00 28 K 8.05 4.08 0.00 1.83 1.96 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 29 L 7.83 4.09 0.00 1.79 1.71 0.91 0.79 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 V 7.88 4.07 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 0.72 0.00 0.00 0.99 0.00 0.00 31 G 6.95 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 0.00 0.00 0.00 32 E 8.53 4.13 0.00 1.97 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 2.31 2.24 0.00