NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1487 8.2549 117.2615 54.8449 31.1100 175.1818 2 P 4.0751 0.0000 0.0000 62.1512 32.0516 176.1916 3 D 4.3907 8.4073 121.2021 57.2197 41.7023 178.5947 4 F 4.4746 7.9474 114.3618 59.4126 37.7347 177.5515 5 C 4.6874 7.4426 115.9343 58.8340 40.0566 174.6083 6 L 4.2607 7.7184 119.5999 54.3272 42.1129 176.6900 7 E 4.2783 7.4653 116.9328 55.0061 30.4716 175.1524 8 P 4.3663 0.0000 0.0000 61.3690 32.1354 174.7009 9 P 3.5739 0.0000 0.0000 62.6677 31.4231 175.2878 10 Y 4.6120 7.7082 121.4459 56.0318 40.4251 175.3240 11 T 4.2000 8.2801 125.2964 65.2421 68.8561 176.1732 12 G 3.7845 6.8295 104.3987 44.1499 0.0000 171.3498 13 P 4.3259 0.0000 0.0000 64.4920 31.5397 177.6771 14 C 4.4844 7.7134 116.9103 56.7446 40.7673 174.0053 15 K 4.0898 8.2780 119.3182 56.8696 32.4885 177.2557 16 A 4.1761 7.8863 122.0577 51.6432 19.8317 177.0315 17 R 4.6229 8.2126 117.8591 54.1754 29.8832 174.2855 18 I 4.4254 8.1864 122.2088 59.3530 40.0543 175.1884 19 I 4.3074 8.1680 127.3979 61.0529 38.0336 175.3098 20 R 4.5298 8.2573 124.4299 54.5841 35.0028 173.4429 21 Y 5.7341 9.1227 117.5483 56.5330 41.2755 175.2804 22 F 5.7781 9.3598 116.7016 55.4756 42.3836 172.7528 23 Y 4.4533 9.9081 122.6357 57.0317 40.1656 174.0561 24 N 4.7621 8.1699 126.1458 51.5470 38.3820 174.7416 25 A 3.7864 8.4196 129.3455 55.0293 18.8210 178.8666 26 K 3.9943 8.0251 115.3537 59.6365 32.4021 178.1339 27 A 3.9343 7.7598 119.6835 53.2317 18.4646 178.1848 28 G 3.8784 8.9337 103.5561 45.2375 0.0000 172.6922 29 L 4.5999 6.7800 118.2797 54.5562 44.0142 174.5367 30 C 4.9402 8.5781 116.7482 56.5226 41.7358 173.2120 31 Q 4.8498 8.4288 120.9936 54.2221 33.0918 174.4482 32 T 5.0837 8.5327 110.5388 61.4780 70.7140 173.7507 33 F 5.0104 8.6806 116.4282 56.0975 41.9196 172.9241 34 V 4.4101 8.4772 120.1026 61.9708 32.4053 174.2149 35 Y 4.8135 8.8692 130.2735 56.2560 40.1667 176.5961 36 G 3.8219 8.2808 113.7923 46.5966 0.0000 174.9594 37 G 3.8021 6.1652 106.4083 45.4363 0.0000 172.1675 38 C 4.8825 7.0963 112.1884 54.7295 44.5020 172.9634 39 R 3.8290 8.7782 115.6159 56.9988 27.2071 176.9529 40 A 4.3296 8.3724 118.8126 52.4762 19.0461 178.2296 41 K 4.4052 8.2516 120.3190 54.7007 34.0040 177.3961 42 R 3.4945 8.1961 118.5619 58.9844 30.3564 177.7345 43 N 4.8503 7.8454 117.9139 51.4837 37.3247 174.2252 44 N 5.1618 6.9341 116.5778 52.5532 41.7446 173.1201 45 F 4.9692 9.5339 125.1937 55.4775 42.0914 176.6154 46 K 4.0739 9.0173 125.9258 58.2301 32.8154 177.3024 47 S 4.8232 8.0426 112.5460 56.0221 65.4567 174.4678 48 A 3.3881 7.9653 130.2065 54.6265 18.1540 179.3729 49 E 3.7408 7.7050 118.2417 59.6642 29.7142 178.8448 50 D 4.3111 7.9401 118.3674 57.2748 40.8842 179.1913 51 C 2.5447 7.5083 118.4768 59.3709 41.7695 175.5488 52 M 3.8871 7.7001 120.2351 58.3243 31.2979 178.8409 53 R 3.7957 7.4451 117.4081 59.6237 30.3526 178.4558 54 T 3.9871 7.6627 114.4067 66.4469 68.6345 175.4431 55 C 4.3292 7.6935 115.7431 57.1458 41.2258 174.1711 56 G 3.5991 7.8040 114.2240 45.5545 0.0000 173.2540 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 R 8.25 4.15 0.00 1.64 1.80 0.00 2.95 0.00 0.00 3.05 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 2 P 0.00 4.08 0.00 1.01 1.64 0.00 3.26 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.02 0.00 3 D 8.41 4.39 0.00 2.78 2.74 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 4 F 7.95 4.47 0.00 3.40 3.34 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 5 C 7.44 4.69 0.00 2.96 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 6 L 7.72 4.26 0.00 1.76 1.76 0.94 0.78 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 7 E 7.47 4.28 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 2.72 2.32 0.00 8 P 0.00 4.37 0.00 1.99 1.94 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 9 P 0.00 3.57 0.00 0.81 0.49 0.00 3.25 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.60 0.00 10 Y 7.71 4.61 0.00 2.76 2.87 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 0.00 0.00 0.00 11 T 8.28 4.20 4.12 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 1.22 0.00 0.00 12 G 6.83 3.78 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 0.00 0.00 0.00 13 P 0.00 4.33 0.00 2.17 2.19 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.71 4.48 0.00 2.78 2.97 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 15 K 8.28 4.09 0.00 1.68 1.79 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.33 7.81 16 A 7.89 4.18 1.17 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 0.00 0.00 17 R 8.21 4.62 0.00 1.60 1.81 0.00 3.34 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 18 I 8.19 4.43 1.88 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 1.15 0.98 0.92 0.00 0.00 19 I 8.17 4.31 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.39 0.57 0.00 0.00 20 R 8.26 4.53 0.00 0.67 1.55 0.00 3.28 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 21 Y 9.12 5.73 0.00 3.10 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.36 5.78 0.00 3.18 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 23 Y 9.91 4.45 0.00 3.12 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.17 4.76 0.00 2.39 2.50 0.00 0.00 6.65 7.95 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 25 A 8.42 3.79 1.38 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 26 K 8.03 3.99 0.00 1.71 1.81 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.38 7.81 27 A 7.76 3.93 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 28 G 8.93 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 29 L 6.78 4.60 0.00 1.68 1.71 0.82 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.58 4.94 0.00 2.83 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 31 Q 8.43 4.85 0.00 1.38 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 32 T 8.53 5.08 4.16 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 1.17 0.00 0.00 33 F 8.68 5.01 0.00 3.05 3.28 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 0.00 34 V 8.48 4.41 2.10 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 0.73 0.00 0.00 0.92 0.00 0.00 35 Y 8.87 4.81 0.00 2.56 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 36 G 8.28 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 0.00 0.00 0.00 37 G 6.17 3.80 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 0.00 0.00 0.00 38 C 7.10 4.88 0.00 3.05 2.97 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 39 R 8.78 3.83 0.00 2.42 2.26 0.00 3.33 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.00 40 A 8.37 4.33 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.25 4.41 0.00 1.74 1.90 0.00 1.61 0.00 0.00 1.44 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.11 1.13 7.81 42 R 8.20 3.49 0.00 1.26 0.66 0.00 2.21 0.00 0.00 2.70 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.31 0.00 43 N 7.85 4.85 0.00 3.20 2.89 0.00 0.00 6.91 7.67 0.00 0.00 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 N 6.93 5.16 0.00 2.68 2.55 0.00 0.00 7.09 7.02 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 45 F 9.53 4.97 0.00 3.35 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 46 K 9.02 4.07 0.00 1.78 1.94 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.50 7.81 47 S 8.04 4.82 0.00 3.94 3.91 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 0.00 0.00 0.00 48 A 7.97 3.39 0.56 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.71 3.74 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 50 D 7.94 4.31 0.00 3.00 2.85 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 51 C 7.51 2.54 0.00 2.67 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 7.70 3.89 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.46 0.00 53 R 7.45 3.80 0.00 1.76 1.86 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 54 T 7.66 3.99 4.16 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 1.50 0.00 0.00 55 C 7.69 4.33 0.00 2.49 1.81 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 56 G 7.80 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