NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.2414 8.2393 119.7055 56.3172 30.4209 174.7142 4 S 4.4781 7.6441 121.0298 55.8308 65.1237 173.9338 5 L 3.9788 8.2884 120.0397 57.7404 42.2131 180.1487 6 S 4.2634 7.9671 111.2112 58.9476 63.5936 175.1021 7 G 3.9445 7.7982 109.4579 45.0104 0.0000 173.6044 8 L 4.5139 7.5904 119.6884 54.2390 42.8954 176.1260 9 T 4.5757 8.8093 111.9235 60.5363 71.7790 175.5185 10 E 3.8722 8.7127 122.3940 59.7691 29.4590 179.1911 11 E 4.0341 8.0921 118.1524 59.1801 29.5379 178.8847 12 E 3.9553 8.1533 118.5579 59.1078 29.4446 178.9430 13 A 3.9821 8.2558 121.1879 55.5556 18.6015 179.8037 14 I 3.6355 7.8048 117.8304 64.3343 36.9964 178.7044 15 A 4.0026 7.9711 121.7422 55.0315 18.2261 179.7715 16 V 3.5237 8.0564 117.0405 66.6361 31.7338 177.6891 17 H 4.0526 8.5331 118.0748 59.1634 29.4747 176.7782 18 D 4.3163 7.9617 119.5770 57.4787 41.1028 178.0658 19 Q 4.0615 7.9986 119.7343 58.7227 28.9404 177.8271 20 F 3.9278 8.4529 122.1173 61.3267 39.5523 177.0343 21 K 4.1773 8.3307 118.0597 60.0578 31.8378 179.4198 22 T 3.9022 7.7998 115.3587 67.0926 68.5236 177.0195 23 T 3.8850 8.2063 117.7621 66.5746 68.3819 176.5597 24 F 4.1830 8.6380 123.0455 61.5377 39.3997 177.4347 25 S 4.0576 8.3579 114.5275 61.3746 62.5768 176.5172 26 A 4.0003 7.9762 123.7003 54.8402 17.9872 179.4280 27 F 4.0881 8.2468 119.1635 61.6574 39.5567 177.2999 28 I 3.1530 7.6181 119.8539 64.2693 36.8566 178.5049 29 I 3.7127 7.6400 113.8126 63.8238 37.5391 178.3424 30 L 3.9491 7.8940 120.6077 57.3589 41.3915 179.2757 31 A 3.8353 7.9900 121.0433 54.8431 18.2246 179.5247 32 A 3.8555 7.9202 119.3498 55.2159 18.4721 179.9435 33 V 3.5277 7.8723 116.5140 66.1694 31.7135 178.0032 34 A 4.0523 8.0820 120.3863 55.7060 18.1641 179.3917 35 H 4.3308 8.5859 114.6742 58.8148 28.6566 178.3193 36 V 3.7249 7.9894 120.2236 66.0787 31.3088 177.9581 37 L 4.0860 8.1387 118.7739 57.9197 41.4874 179.8710 38 V 3.9351 7.9953 117.5570 65.9901 31.3951 177.7830 39 W 4.1064 8.6609 126.9056 60.6428 30.5313 177.7511 40 V 3.8491 8.3152 117.7112 65.5291 31.0156 177.4767 41 W 4.7398 7.9116 127.5791 59.0875 31.3375 176.1735 42 K 3.8349 8.1914 118.5447 54.3359 32.8604 172.3241 43 P 2.9700 0.0000 0.0000 61.8720 31.3243 176.8061 44 W 4.4950 7.0471 116.5004 56.2616 28.7989 176.1922 45 F 4.7687 6.8097 123.1808 58.1014 39.3965 174.4538 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 3 R 8.24 4.24 0.00 1.81 1.99 0.00 3.32 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 4 S 7.64 4.48 0.00 3.98 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 5 L 8.29 3.98 0.00 1.64 1.76 0.91 0.83 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 6 S 7.97 4.26 0.00 3.96 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 7 G 7.80 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 0.00 0.00 0.00 8 L 7.59 4.51 0.00 1.74 1.58 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.81 4.58 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 1.24 0.00 0.00 10 E 8.71 3.87 0.00 2.04 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 2.37 2.40 0.00 11 E 8.09 4.03 0.00 2.10 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 2.40 2.45 0.00 12 E 8.15 3.96 0.00 2.28 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 2.33 0.00 13 A 8.26 3.98 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 14 I 7.80 3.64 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 1.45 1.03 0.93 0.00 0.00 15 A 7.97 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.06 3.52 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.01 0.00 0.00 17 H 8.53 4.05 0.00 3.32 3.31 0.00 5.83 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 18 D 7.96 4.32 0.00 3.12 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.00 4.06 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 20 F 8.45 3.93 0.00 3.23 3.02 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 0.00 0.00 0.00 21 K 8.33 4.18 0.00 2.07 1.96 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.60 7.81 22 T 7.80 3.90 4.44 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 1.24 0.00 0.00 23 T 8.21 3.89 4.14 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 0.00 0.00 0.00 1.15 0.00 0.00 24 F 8.64 4.18 0.00 2.86 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.36 4.06 0.00 4.22 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 26 A 7.98 4.00 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 27 F 8.25 4.09 0.00 2.99 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 28 I 7.62 3.15 1.59 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.36 0.74 0.00 0.00 29 I 7.64 3.71 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.82 0.90 0.00 0.00 30 L 7.89 3.95 0.00 1.79 1.71 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.99 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.92 3.86 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.53 2.22 0.00 0.00 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 0.95 0.00 0.00 34 A 8.08 4.05 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 35 H 8.59 4.33 0.00 3.51 3.70 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.99 3.72 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.99 0.00 0.00 37 L 8.14 4.09 0.00 1.98 1.78 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.00 3.94 2.40 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 1.21 0.00 0.00 1.11 0.00 0.00 39 W 8.66 4.11 0.00 3.51 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.32 3.85 2.49 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 0.97 0.00 0.00 1.07 0.00 0.00 41 W 7.91 4.74 0.00 3.22 3.48 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 0.00 42 K 8.19 3.83 0.00 0.79 0.74 0.00 1.32 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.90 0.81 7.81 43 P 0.00 2.97 0.00 1.10 0.49 0.00 3.35 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 44 W 7.05 4.49 0.00 3.04 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 45 F 6.81 4.77 0.00 3.36 2.99 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 0.00 0.00 0.00