NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.0866 8.2649 123.5822 51.9639 20.0606 176.2764 2 C 3.8940 8.3782 121.7892 58.4230 37.0119 171.6429 3 Q 3.9379 9.0617 125.9022 57.2996 29.6953 176.9671 4 A 3.7710 8.1062 117.4146 52.8144 16.2265 177.6709 5 S 4.6718 7.7655 113.5687 61.6013 69.1554 176.7198 6 Q 4.1042 8.1511 117.4676 57.6852 28.7982 176.6410 7 L 4.4786 7.6597 116.2847 54.9693 43.9153 178.0626 8 A 3.9965 7.6652 121.5984 55.4603 17.9221 179.9316 9 V 3.6295 7.8361 115.4754 64.8931 31.3949 178.2773 10 C 4.4358 8.8900 118.9257 58.5751 39.5223 174.9109 11 A 4.1695 7.9342 123.9645 54.9931 17.7937 179.5800 12 S 4.1732 8.2831 112.7492 61.6797 62.9560 176.5646 13 A 4.0918 8.8037 124.1617 54.7238 18.3475 179.6014 14 I 3.3837 7.3912 116.5902 65.1122 37.2763 177.1354 15 L 3.9863 8.4037 119.7180 56.6295 41.1792 178.7240 16 S 3.9931 7.3841 118.2247 58.0560 63.4331 174.2162 17 G 4.2945 8.6913 112.4393 45.0822 0.0000 175.1498 18 A 3.9182 7.5780 123.3313 52.8617 19.0326 178.1107 19 K 4.3183 7.4103 111.7595 54.5160 35.4322 174.5880 20 P 4.4561 0.0000 0.0000 64.0879 31.3575 175.3001 21 S 4.5854 7.9823 109.8226 57.2216 66.3880 177.9651 22 G 3.6016 8.4695 111.6718 47.9728 0.0000 175.3808 23 E 3.8929 8.3108 121.5419 59.5283 29.2162 178.8802 24 C 4.2259 7.8843 117.1363 60.0951 43.4331 173.1472 25 C 3.9906 8.2178 115.4556 58.4791 36.5737 175.6771 26 G 3.6225 7.7402 108.4103 47.3160 0.0000 175.4859 27 N 4.3175 8.3048 119.4228 56.1721 38.5518 177.1022 28 L 3.7620 7.4051 121.0168 59.0510 39.8210 179.4230 29 R 3.9469 7.4891 117.6376 59.2753 30.1728 178.3700 30 A 4.1347 7.6420 118.3886 56.0504 18.3390 178.5485 31 Q 4.1367 8.6437 117.5082 54.2532 28.5117 176.0368 32 Q 3.7375 8.2827 119.3781 56.7390 28.2263 174.3668 33 G 3.9762 7.3817 101.3873 45.7565 0.0000 174.5169 34 C 4.1557 8.3871 118.5959 58.8213 44.0622 175.3159 35 F 4.3321 8.3803 121.2096 61.5014 39.0285 177.3337 36 C 3.8610 7.8223 117.8638 59.5548 43.3377 175.6186 37 Q 3.7531 7.8935 118.3885 59.0223 28.2773 177.3959 38 Y 3.9889 8.6620 119.2302 60.7684 37.6004 178.1875 39 A 4.0172 7.6442 120.9378 54.4274 18.4031 178.5916 40 K 4.3491 8.0961 116.9623 56.5277 32.7097 175.9743 41 D 4.4397 7.7742 119.2691 53.9929 41.6389 174.1501 42 P 4.4953 0.0000 0.0000 65.9601 32.0088 178.3971 43 T 3.8425 8.2697 108.1606 64.4835 68.5378 174.0535 44 Y 4.4767 9.8655 119.2220 57.5430 38.1183 177.6460 45 G 3.7677 8.6456 110.8019 47.9476 0.0000 176.0057 46 Q 4.0175 8.0523 120.3735 58.7089 29.3806 177.2154 47 Y 4.0065 8.1352 120.9941 60.7644 39.0344 177.6357 48 I 3.9183 7.8758 120.2690 64.2347 37.1069 177.6523 49 R 4.2213 7.9348 116.9326 56.5691 29.8423 176.7966 50 S 4.3968 7.5529 112.8660 56.9813 62.1169 172.4974 51 P 4.3995 0.0000 0.0000 66.0277 31.7385 178.1848 52 H 4.5078 7.6680 115.2700 57.0656 28.7387 177.2520 53 A 3.8801 7.7569 122.9165 55.3645 18.3019 179.6092 54 R 3.9383 7.9606 115.6499 59.2982 30.0474 178.8051 55 D 4.3112 7.6017 115.7605 57.5130 41.1267 178.3393 56 T 3.8830 7.9297 116.1515 66.7208 68.4861 176.6224 57 L 4.0172 7.8257 120.6427 58.1745 41.4485 179.7902 58 T 3.8686 8.1160 114.9085 66.6470 68.4526 176.0690 59 S 4.2075 8.4771 114.6440 61.7513 62.3299 175.2303 60 C 4.4033 7.8792 120.2409 57.3638 44.5763 173.6068 61 G 3.8083 8.4388 107.2271 46.8296 0.0000 172.4345 62 L 4.5111 7.7828 117.7963 56.2960 42.8288 176.9487 63 A 4.6819 7.7794 121.2664 49.7437 22.1479 175.4022 64 V 4.5770 8.1899 122.4092 58.7223 33.3462 175.7522 65 P 4.2463 0.0000 0.0000 64.2616 30.9211 176.0741 66 H 3.9700 8.5894 114.3488 57.5068 26.1425 173.5814 67 C 4.4283 7.4900 116.1371 55.7006 42.7341 173.1090 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 A 8.26 4.09 1.29 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 0.00 0.00 2 C 8.38 3.89 0.00 3.18 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 9.06 3.94 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 4 A 8.11 3.77 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 5 S 7.77 4.67 0.00 3.83 3.82 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 6 Q 8.15 4.10 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 7 L 7.66 4.48 0.00 1.50 1.61 0.71 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.67 4.00 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.84 3.63 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 0.78 0.00 0.00 0.93 0.00 0.00 10 C 8.89 4.44 0.00 3.00 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 11 A 7.93 4.17 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.28 4.17 0.00 3.88 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.80 4.09 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.39 3.38 1.06 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.26 0.00 0.00 15 L 8.40 3.99 0.00 1.75 1.55 0.98 0.89 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 16 S 7.38 3.99 0.00 3.83 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 17 G 8.69 4.29 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 0.00 0.00 0.00 18 A 7.58 3.92 1.23 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 0.00 0.00 19 K 7.41 4.32 0.00 1.80 1.72 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.34 7.81 20 P 0.00 4.46 0.00 2.04 2.08 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 21 S 7.98 4.59 0.00 3.81 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.47 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 3.89 0.00 2.03 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 2.37 2.39 0.00 24 C 7.88 4.23 0.00 3.06 3.24 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 25 C 8.22 3.99 0.00 3.14 3.21 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 0.00 26 G 7.74 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.30 4.32 0.00 2.85 2.93 0.00 0.00 6.70 7.14 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 28 L 7.41 3.76 0.00 0.66 1.41 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.49 3.95 0.00 1.94 2.08 0.00 3.43 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 30 A 7.64 4.13 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 31 Q 8.64 4.14 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.10 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 32 Q 8.28 3.74 0.00 2.45 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 33 G 7.38 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 34 C 8.39 4.16 0.00 3.03 3.19 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 0.00 0.00 0.00 0.00 35 F 8.38 4.33 0.00 3.13 3.14 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 0.00 36 C 7.82 3.86 0.00 2.86 2.93 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 37 Q 7.89 3.75 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.46 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 38 Y 8.66 3.99 0.00 3.22 3.01 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 39 A 7.64 4.02 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.10 4.35 0.00 1.73 1.83 0.00 1.81 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.44 7.81 41 D 7.77 4.44 0.00 2.81 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.50 0.00 2.30 2.33 0.00 3.86 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 43 T 8.27 3.84 4.18 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 1.26 0.00 0.00 44 Y 9.87 4.48 0.00 3.12 2.94 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 45 G 8.65 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.05 4.02 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 47 Y 8.14 4.01 0.00 3.21 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 48 I 7.88 3.92 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.13 1.00 0.00 0.00 49 R 7.93 4.22 0.00 1.98 1.96 0.00 3.37 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 50 S 7.55 4.40 0.00 3.91 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.40 0.00 2.37 2.26 0.00 3.11 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.01 0.00 52 H 7.67 4.51 0.00 3.16 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.76 3.88 1.21 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 0.00 0.00 0.00 54 R 7.96 3.94 0.00 1.88 2.03 0.00 3.29 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 55 D 7.60 4.31 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.93 3.88 4.28 0.00 0.00 0.00 0.00 0.00 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 57 L 7.83 4.02 0.00 1.80 1.78 0.99 1.00 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 58 T 8.12 3.87 4.40 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 1.23 0.00 0.00 59 S 8.48 4.21 0.00 4.04 4.03 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 0.00 0.00 0.00 60 C 7.88 4.40 0.00 3.11 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 61 G 8.44 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.78 4.51 0.00 1.78 1.80 1.05 0.50 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 63 A 7.78 4.68 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.19 4.58 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 0.84 0.00 0.00 1.01 0.00 0.00 65 P 0.00 4.25 0.00 2.13 2.26 0.00 3.96 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 66 H 8.59 3.97 0.00 3.31 3.43 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 C 7.49 4.43 0.00 3.05 2.98 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 0.00 0.00 0.00