NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8821 8.3544 109.7357 45.0486 0.0000 173.0708 0 S 4.4194 7.3741 111.5859 56.1667 65.8029 171.7942 1 A 3.8425 8.8537 122.2448 52.7822 17.3824 179.3664 2 R 3.9828 7.7771 116.7094 59.5261 30.2827 177.9036 3 N 4.2976 8.2585 115.6129 56.3413 38.6065 176.8631 4 A 3.9606 7.9643 121.4000 55.4158 18.4514 178.7327 5 Y 4.0931 8.1568 117.8700 60.9541 38.8683 178.3689 6 L 3.5806 8.3515 120.1337 57.6532 41.7009 179.5873 7 R 3.8589 8.3933 118.1724 59.3757 30.0254 179.2885 8 K 3.9165 7.9805 117.9518 59.2712 32.0682 179.3779 9 K 3.7651 7.8679 120.0143 59.4445 32.0056 178.8365 10 I 3.6145 7.6967 119.8017 64.2801 37.0301 178.1471 11 A 3.9589 7.9031 121.4979 55.4054 18.1370 179.9018 12 R 3.8962 8.1451 116.5491 59.3943 30.1414 179.3767 13 L 4.0049 7.9038 118.8543 57.6018 41.5308 179.6683 14 K 3.9930 8.2440 118.6822 59.1474 32.0474 179.3513 15 K 3.9207 8.1043 119.9785 59.6685 32.1768 178.4320 16 D 4.3997 8.4084 119.5316 57.6047 40.6710 178.5478 17 N 4.3699 8.0607 117.2858 56.5423 38.9883 177.0736 18 L 4.0205 7.8203 120.1015 57.2952 41.5711 179.3396 19 Q 3.9173 7.9427 119.3835 59.1720 29.1327 177.7245 20 L 3.9711 7.9050 119.9710 58.0861 41.4839 179.5695 21 E 3.9859 8.3940 118.3859 59.4621 29.2708 179.6101 22 R 3.9460 7.7868 117.6984 59.3527 30.1213 178.8555 23 D 4.3776 8.8179 119.1229 57.1400 40.7369 178.5541 24 E 3.9124 8.2201 119.9384 59.5170 29.7272 178.9887 25 Q 4.2183 7.8638 118.1469 58.8246 28.6184 178.4681 26 N 4.3870 8.0095 117.7778 56.1692 38.6714 177.4272 27 L 3.9844 7.9884 120.4210 57.7831 41.6609 179.5265 28 E 3.9899 8.2557 118.6443 59.3258 29.2872 179.4406 29 K 4.0001 8.0592 118.5690 59.5263 32.0888 179.4933 30 I 3.7402 8.0421 120.2575 64.2640 36.9271 178.5522 31 I 3.6673 7.8884 120.4088 64.4801 37.0438 178.4791 32 A 4.0521 8.0950 121.2899 54.9394 18.0219 179.4880 33 N 4.3442 7.9401 115.5325 56.3642 38.7146 177.6442 34 L 3.9885 7.9763 120.4314 57.8467 41.6653 179.7903 35 R 3.9375 8.4001 118.4983 59.1972 30.1021 178.6138 36 D 4.3118 8.1981 117.9228 57.3066 41.2524 177.9186 37 E 3.9621 8.4363 120.0358 59.3956 29.5441 178.9110 38 I 3.7926 8.0308 119.6834 64.0850 37.1640 178.2772 39 A 3.9938 7.8937 121.5375 54.9189 18.1635 180.0163 40 R 3.8359 7.9127 116.2720 59.3979 30.1442 178.9516 41 L 3.9635 7.8617 118.7313 58.2059 41.6760 179.6606 42 E 3.9573 8.4711 118.4472 59.2948 29.0908 179.0328 43 N 4.3337 7.7598 116.0374 56.4532 39.1112 176.5512 44 E 4.1288 8.5055 119.6391 59.5510 29.7160 179.5425 45 V 3.7475 7.9215 117.7570 64.4037 31.5906 176.4399 46 A 4.3047 7.8774 125.0064 52.1409 18.6092 176.8242 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 G 8.35 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 0 S 7.37 4.42 0.00 3.88 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.85 3.84 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.78 3.98 0.00 1.99 2.00 0.00 3.33 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 3 N 8.26 4.30 0.00 2.79 2.87 0.00 0.00 6.96 7.19 0.00 0.00 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 A 7.96 3.96 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.16 4.09 0.00 3.09 3.16 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 0.00 0.00 0.00 0.00 6 L 8.35 3.58 0.00 1.83 1.64 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.39 3.86 0.00 1.83 1.95 0.00 3.27 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.73 0.00 8 K 7.98 3.92 0.00 1.75 1.83 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.61 7.81 9 K 7.87 3.77 0.00 1.18 1.34 0.00 1.54 0.00 0.00 1.49 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.38 7.81 10 I 7.70 3.61 2.00 0.00 0.00 0.81 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 0.43 0.87 0.00 0.00 11 A 7.90 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 12 R 8.15 3.90 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 13 L 7.90 4.00 0.00 1.87 1.69 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.24 3.99 0.00 1.93 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.42 7.81 15 K 8.10 3.92 0.00 1.96 1.93 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 16 D 8.41 4.40 0.00 2.90 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.06 4.37 0.00 2.78 2.93 0.00 0.00 7.19 6.59 0.00 0.00 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 L 7.82 4.02 0.00 1.85 1.70 0.91 1.11 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 19 Q 7.94 3.92 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 20 L 7.90 3.97 0.00 1.89 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.39 3.99 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 2.33 2.43 0.00 22 R 7.79 3.95 0.00 2.00 1.97 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 23 D 8.82 4.38 0.00 2.80 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 24 E 8.22 3.91 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 2.30 2.35 0.00 25 Q 7.86 4.22 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 26 N 8.01 4.39 0.00 2.68 2.85 0.00 0.00 6.91 7.56 0.00 0.00 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 L 7.99 3.98 0.00 1.87 1.72 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.26 3.99 0.00 2.25 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 2.33 2.35 0.00 29 K 8.06 4.00 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.58 7.81 30 I 8.04 3.74 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 0.87 0.91 0.00 0.00 31 I 7.89 3.67 2.00 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 1.45 0.69 0.91 0.00 0.00 32 A 8.10 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 33 N 7.94 4.34 0.00 2.86 2.87 0.00 0.00 6.88 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.98 3.99 0.00 1.84 1.71 0.94 0.85 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 35 R 8.40 3.94 0.00 1.98 1.98 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 36 D 8.20 4.31 0.00 2.95 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.44 3.96 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 38 I 8.03 3.79 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 1.45 0.67 0.91 0.00 0.00 39 A 7.89 3.99 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 40 R 7.91 3.84 0.00 2.06 1.98 0.00 3.15 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 1.84 0.00 41 L 7.86 3.96 0.00 1.93 1.73 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.47 3.96 0.00 2.09 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 2.32 0.00 43 N 7.76 4.33 0.00 2.84 2.98 0.00 0.00 7.25 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.51 4.13 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 2.35 2.47 0.00 45 V 7.92 3.75 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 46 A 7.88 4.30 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00