NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.8351 8.3493 120.5431 53.6376 41.7066 174.3635 2 P 3.9104 0.0000 0.0000 61.8605 32.0633 175.4665 3 M 3.1507 8.2106 119.9447 55.4218 32.3269 177.8453 4 T 4.2970 7.5479 110.0768 60.2461 71.9852 175.9928 5 C 4.1496 8.7691 120.3669 60.1175 40.4079 175.1490 6 E 3.9529 8.1434 119.8690 59.6051 29.3156 178.3719 7 Q 4.0111 8.2777 117.9103 59.0298 28.6163 179.0788 8 A 4.0384 8.3083 121.8136 55.5664 18.3625 179.5126 9 M 4.0091 7.7829 116.4080 58.7391 31.9099 179.0509 10 A 4.0480 8.3028 119.7857 54.7787 18.5888 179.1764 11 S 4.2372 8.3430 111.7697 59.0261 63.5351 174.5522 12 C 3.9370 8.1980 121.2016 56.9573 42.8387 173.5191 13 E 4.3813 7.6693 120.2316 54.8238 27.8896 175.9524 14 H 4.3993 8.8983 118.9696 57.8263 28.8553 178.5946 15 T 3.6634 7.6778 108.9448 64.7232 68.7646 174.6054 16 M 4.4631 8.1019 120.1512 55.3456 32.0233 177.3271 17 C 4.3901 8.3348 119.4115 59.2542 40.5701 176.0721 18 G 3.3836 7.9876 107.9624 48.7787 0.0000 174.3755 19 Y 3.7344 7.2982 116.3468 60.9393 37.9278 176.3525 20 C 4.7004 7.9282 115.6925 56.6404 41.9347 172.5191 21 Q 4.6996 8.0873 117.6702 55.0851 32.8716 179.4248 22 G 3.9674 8.8347 109.5072 45.8684 0.0000 173.6952 23 P 4.2648 0.0000 0.0000 65.7529 31.1232 177.6107 24 L 4.0228 7.9397 118.3644 57.3588 41.5252 178.3765 25 Y 4.2863 8.2134 119.8708 61.3928 38.7403 178.3269 26 M 4.0950 8.2300 119.0370 57.8791 31.9761 179.1257 27 T 3.9038 8.1626 117.1502 66.7351 68.7850 174.1888 28 C 4.2794 8.7142 116.5766 58.9771 39.2630 175.7571 29 I 3.7987 8.4215 122.5823 64.2607 36.5523 178.4546 30 G 3.9188 8.2277 106.2229 47.8491 0.0000 175.0558 31 I 4.0541 7.8348 122.2592 63.9123 37.3233 178.1267 32 T 3.8637 8.4200 110.3327 65.1573 68.5996 176.0959 33 T 4.1931 8.1462 109.9157 61.6298 69.2760 174.1529 34 D 4.4265 8.1603 124.5050 53.6086 41.8073 174.9013 35 P 4.2589 0.0000 0.0000 65.9533 31.2704 176.6391 36 E 4.3815 8.6618 117.6911 55.9511 29.4688 174.3050 37 C 4.3005 7.9441 121.0187 57.7361 42.5855 172.8844 38 G 3.8770 8.4937 114.5532 46.0364 0.0000 171.0252 39 L 4.3943 7.9733 122.5515 52.4742 42.6753 174.7285 40 P 4.4324 0.0000 0.0000 63.0792 31.3744 176.0592 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 8.35 4.84 0.00 2.71 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 3.91 0.00 2.22 2.06 0.00 4.03 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 3 M 8.21 3.15 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.29 0.00 4 T 7.55 4.30 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 5 C 8.77 4.15 0.00 3.09 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 6 E 8.14 3.95 0.00 2.12 1.91 0.00 0.00 0.00 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 2.47 0.00 7 Q 8.28 4.01 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 8 A 8.31 4.04 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 9 M 7.78 4.01 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.61 0.00 10 A 8.30 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.34 4.24 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.20 3.94 0.00 3.13 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 4.38 0.00 2.01 1.89 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 2.46 2.39 0.00 14 H 8.90 4.40 0.00 3.42 3.65 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.68 3.66 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 16 M 8.10 4.46 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.69 0.00 17 C 8.33 4.39 0.00 3.31 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 18 G 7.99 3.38 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 0.00 19 Y 7.30 3.73 0.00 3.01 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.93 4.70 0.00 3.17 3.12 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 21 Q 8.09 4.70 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.87 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 22 G 8.83 3.97 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 0.00 0.00 0.00 23 P 0.00 4.26 0.00 2.29 2.34 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 24 L 7.94 4.02 0.00 2.05 1.81 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.21 4.29 0.00 2.88 3.12 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 26 M 8.23 4.10 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 27 T 8.16 3.90 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 28 C 8.71 4.28 0.00 3.18 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.42 3.80 1.97 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.60 0.86 0.00 0.00 30 G 8.23 3.92 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 0.00 0.00 0.00 31 I 7.83 4.05 2.03 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 1.59 0.60 0.93 0.00 0.00 32 T 8.42 3.86 4.51 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 1.33 0.00 0.00 33 T 8.15 4.19 4.20 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 1.17 0.00 0.00 34 D 8.16 4.43 0.00 3.02 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.26 0.00 2.21 2.18 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 36 E 8.66 4.38 0.00 2.19 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 2.28 2.23 0.00 37 C 7.94 4.30 0.00 3.15 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 38 G 8.49 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.97 4.39 0.00 1.58 1.64 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.43 0.00 2.22 2.02 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00