NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2455 8.3001 120.3518 56.8469 33.2762 175.0799 2 A 3.6663 8.9463 126.8153 51.2126 16.0388 173.8622 3 E 4.4482 8.6231 120.6169 56.1639 31.6209 174.3835 4 I 4.2655 8.4163 128.0020 61.2508 38.0662 175.4756 5 K 4.5013 9.1818 126.4825 54.8183 35.4385 174.4915 6 H 4.8731 7.9562 121.4331 54.4841 32.3434 172.2711 7 Y 5.0648 8.4518 122.5339 56.2026 42.2828 174.3861 8 Q 4.6842 8.6427 123.0492 54.5302 32.7325 173.3986 9 F 5.3891 8.9875 125.0431 55.7211 42.2716 173.8842 10 N 5.2391 9.1183 122.6870 52.4406 40.1880 173.8484 11 V 4.8633 8.9367 126.1206 60.7959 34.9539 175.0775 12 V 3.8264 8.8681 128.2212 63.1933 31.8715 175.5258 13 M 4.6697 8.5294 127.3562 54.2386 34.8537 175.3039 14 T 4.0982 8.5076 121.3746 65.9435 69.5554 175.1864 15 C 4.6053 7.5731 118.3417 58.2461 29.8795 175.1745 16 S 4.2505 7.9720 115.3351 60.6830 62.1503 176.1514 17 G 3.7726 8.0634 108.5181 46.8111 0.0000 174.6205 18 C 4.0558 8.2434 120.9421 62.0317 31.8925 175.4922 19 S 4.2241 8.0460 115.5087 61.5034 62.3491 176.4031 20 G 3.7150 8.5303 108.8835 46.7556 0.0000 175.7111 21 A 4.0206 7.3626 123.8388 55.0170 18.5726 179.5340 22 V 3.4540 7.7961 116.8843 66.3101 31.5548 177.5580 23 N 4.2446 8.4568 116.9202 56.7659 38.5269 176.6666 24 K 3.9530 7.5555 119.6562 59.3120 32.0753 178.7421 25 V 3.6844 7.9916 118.7504 66.1085 31.5253 178.1441 26 L 4.0986 8.1463 118.5275 57.6274 41.2629 179.3003 27 T 3.8902 8.0482 116.1491 66.7032 68.1511 176.2540 28 K 4.1082 7.6567 117.7984 58.2779 32.2996 178.0146 29 L 4.6685 7.8312 117.8666 54.4010 42.2686 177.7227 30 E 4.4998 7.9213 121.2216 58.3439 29.1399 177.2720 31 P 4.3779 0.0000 0.0000 64.8220 31.4042 176.4797 32 D 4.8669 7.8484 114.9977 53.4814 43.2102 175.4284 33 V 4.3486 8.3218 121.0831 62.0277 32.2410 176.1909 34 S 4.5847 8.9964 122.2077 59.5194 64.7401 174.5132 35 K 4.7345 7.9530 120.3907 54.8312 35.7375 174.8063 36 I 5.2243 8.3985 126.5061 59.6465 40.5818 174.4923 37 D 4.7038 9.0368 125.7688 53.1818 44.7165 173.7199 38 I 4.9188 8.5473 126.3781 59.8074 40.1067 175.8113 39 S 4.5061 9.1255 122.2372 56.4303 64.4616 174.6235 40 L 3.8994 8.5397 127.2932 57.9380 42.4572 178.8551 41 E 3.9261 8.3273 117.7342 59.3619 29.5019 177.9123 42 K 4.1123 8.0290 114.5260 57.0445 32.4242 176.9795 43 Q 3.6358 8.2230 117.6003 56.4325 27.1263 172.6509 44 L 5.4109 7.7862 116.8542 53.9522 44.4072 175.2110 45 V 4.7487 8.8992 119.5312 61.3871 34.8563 173.7374 46 D 5.4262 9.3045 128.3084 52.9173 43.0051 175.7053 47 V 5.0440 8.8584 122.5467 61.3594 35.4520 173.6481 48 Y 5.1452 8.6352 123.8775 56.7880 41.0229 174.5249 49 T 5.0198 8.8689 117.4480 61.8264 71.3524 173.5634 50 T 4.4979 8.4005 114.4708 62.1655 69.5712 175.4682 51 L 4.3378 8.1028 123.0014 53.8841 42.4329 175.0001 52 P 4.5658 0.0000 0.0000 62.6057 32.6016 176.5823 53 Y 3.7158 8.9043 122.5965 61.1567 38.6993 178.4476 54 D 4.1910 8.1296 118.8591 56.9890 40.8899 178.3572 55 F 4.4128 8.0821 121.3964 61.1196 39.2409 177.3467 56 I 3.3813 7.4930 119.2232 64.0361 36.9573 177.9229 57 L 3.5465 7.2483 119.4931 57.9107 41.4527 179.4957 58 E 3.9192 8.0669 118.0445 58.8280 29.4319 179.3967 59 K 3.8481 7.6030 118.8967 58.9913 32.0171 179.4065 60 I 3.4924 7.7043 120.6317 64.2303 36.7550 178.3336 61 K 3.8461 8.0203 120.4870 59.4554 31.7330 178.9123 62 K 4.1085 7.7536 117.7219 59.2888 32.0005 179.1496 63 T 3.9568 7.5814 115.8843 64.8560 68.4157 175.5840 64 G 3.9963 8.1531 108.1139 44.7756 0.0000 173.9906 65 K 4.1745 7.4276 118.4243 56.1231 33.0242 176.3901 66 E 4.2469 8.5256 121.3241 56.2712 31.0056 175.6690 67 V 4.5255 8.1561 123.1868 61.4765 32.6397 175.5988 68 R 4.3453 8.9301 128.2041 59.1889 30.7138 176.8351 69 S 4.6993 7.8302 110.7078 57.5947 66.1748 174.1706 70 G 4.7705 8.6214 107.2395 44.7834 0.0000 171.8570 71 K 4.8011 8.6990 121.7699 55.4188 36.4279 174.8552 72 Q 4.8017 8.2782 119.0211 54.8755 30.8239 175.4670 73 L 4.3128 8.0481 119.7733 54.9415 41.9319 176.4516 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 M 8.30 4.25 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 2 A 8.95 3.67 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.62 4.45 0.00 1.99 1.87 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 2.26 2.40 0.00 4 I 8.42 4.27 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 1.06 0.00 0.00 5 K 9.18 4.50 0.00 1.31 1.19 0.00 1.58 0.00 0.00 1.52 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.56 7.81 6 H 7.96 4.87 0.00 2.86 2.80 0.00 5.80 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.45 5.06 0.00 2.85 2.43 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 8 Q 8.64 4.68 0.00 1.82 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.50 0.00 9 F 8.99 5.39 0.00 3.02 2.90 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 0.00 0.00 0.00 10 N 9.12 5.24 0.00 2.80 2.80 0.00 0.00 6.31 7.59 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 11 V 8.94 4.86 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 0.90 0.00 0.00 0.96 0.00 0.00 12 V 8.87 3.83 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 0.88 0.00 0.00 0.98 0.00 0.00 13 M 8.53 4.67 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.48 0.00 14 T 8.51 4.10 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 1.21 0.00 0.00 15 C 7.57 4.61 0.00 3.04 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 16 S 7.97 4.25 0.00 4.00 4.13 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 17 G 8.06 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 18 C 8.24 4.06 0.00 3.01 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 19 S 8.05 4.22 0.00 4.09 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 0.00 20 G 8.53 3.72 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 0.00 0.00 0.00 21 A 7.36 4.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.80 3.45 2.20 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 1.12 0.00 0.00 0.94 0.00 0.00 23 N 8.46 4.24 0.00 2.91 2.81 0.00 0.00 6.93 6.14 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 24 K 7.56 3.95 0.00 1.84 1.95 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 25 V 7.99 3.68 2.12 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 0.95 0.00 0.00 0.94 0.00 0.00 26 L 8.15 4.10 0.00 1.72 1.71 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.05 3.89 4.41 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 1.27 0.00 0.00 28 K 7.66 4.11 0.00 1.84 1.89 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.71 7.81 29 L 7.83 4.67 0.00 1.82 1.73 0.78 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.92 4.50 0.00 1.98 2.05 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 2.37 2.43 0.00 31 P 0.00 4.38 0.00 2.05 2.15 0.00 3.66 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 2.06 2.21 0.00 32 D 7.85 4.87 0.00 2.73 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 33 V 8.32 4.35 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 1.10 0.00 0.00 1.07 0.00 0.00 34 S 9.00 4.58 0.00 3.89 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 35 K 7.95 4.73 0.00 1.69 1.57 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.47 7.81 36 I 8.40 5.22 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.97 0.00 0.00 37 D 9.04 4.70 0.00 2.87 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.55 4.92 1.90 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 1.39 0.81 0.98 0.00 0.00 39 S 9.13 4.51 0.00 3.72 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 40 L 8.54 3.90 0.00 1.73 1.67 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.33 3.93 0.00 1.95 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 2.30 2.41 0.00 42 K 8.03 4.11 0.00 1.93 1.86 0.00 1.97 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.47 7.81 43 Q 8.22 3.64 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.37 6.94 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00 44 L 7.79 5.41 0.00 1.87 1.76 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.90 4.75 2.29 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 1.18 0.00 0.00 0.98 0.00 0.00 46 D 9.30 5.43 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.86 5.04 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 1.29 0.00 0.00 1.19 0.00 0.00 48 Y 8.64 5.15 0.00 2.98 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 49 T 8.87 5.02 4.43 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 1.62 0.00 0.00 50 T 8.40 4.50 4.31 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 1.32 0.00 0.00 51 L 8.10 4.34 0.00 1.87 1.90 1.13 1.00 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 52 P 0.00 4.57 0.00 2.29 2.24 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.93 0.00 53 Y 8.90 3.72 0.00 2.61 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 54 D 8.13 4.19 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.08 4.41 0.00 2.95 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 56 I 7.49 3.38 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.29 0.59 0.00 0.00 57 L 7.25 3.55 0.00 1.64 1.51 0.66 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.07 3.92 0.00 2.20 1.96 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 2.28 2.43 0.00 59 K 7.60 3.85 0.00 1.48 1.56 0.00 1.46 0.00 0.00 1.45 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.86 0.75 7.81 60 I 7.70 3.49 1.65 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.32 0.70 0.00 0.00 61 K 8.02 3.85 0.00 1.84 1.84 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.43 7.81 62 K 7.75 4.11 0.00 1.84 1.80 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.55 7.81 63 T 7.58 3.96 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 1.15 0.00 0.00 64 G 8.15 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 0.00 0.00 0.00 65 K 7.43 4.17 0.00 1.71 1.87 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.37 7.81 66 E 8.53 4.25 0.00 1.88 1.85 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 2.38 2.24 0.00 67 V 8.16 4.53 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 0.93 0.00 0.00 0.87 0.00 0.00 68 R 8.93 4.35 0.00 2.06 1.99 0.00 3.26 0.00 0.00 3.43 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 69 S 7.83 4.70 0.00 3.88 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 70 G 8.62 4.77 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 71 K 8.70 4.80 0.00 1.71 1.81 0.00 1.23 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.25 7.81 72 Q 8.28 4.80 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.81 0.00 0.00 0.00 0.00 0.00 2.02 2.23 0.00 73 L 8.05 4.31 0.00 1.23 1.45 0.64 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00