NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3448 0.0000 0.0000 62.2268 32.6748 176.7308 6 A 3.7495 8.6174 126.1186 54.1969 18.4707 177.0003 7 L 3.8277 8.1299 118.4123 58.4248 42.5050 177.1953 8 R 3.8513 8.0233 117.7350 59.8285 29.9891 178.1653 9 Q 3.9980 7.9282 117.1539 58.9931 28.6025 178.3611 10 C 4.0474 8.4966 119.9689 62.9444 31.6273 175.1607 11 C 4.3095 8.6751 118.3110 59.9846 39.4883 175.8465 12 N 4.2777 8.0540 117.4207 56.3993 38.3699 177.2111 13 Q 4.1193 8.1665 119.4034 58.9202 29.0081 178.4162 14 L 3.9724 8.2208 121.5133 58.0657 41.8510 178.7242 15 R 4.2376 7.8519 116.1562 57.7391 30.2326 177.1569 16 Q 4.3183 7.9215 116.7700 56.5827 29.5462 176.5445 17 V 4.0417 7.0400 109.9547 60.0837 32.7633 175.8100 18 D 4.4697 8.5088 122.2240 54.6515 41.6686 177.7768 19 R 3.9787 8.9547 122.8831 59.1243 29.8891 177.0827 20 P 4.4954 0.0000 0.0000 64.6753 31.7706 176.9878 21 C 4.5159 8.4320 116.3238 59.7446 28.7099 175.3463 22 V 3.6101 7.4530 121.0368 66.5128 31.0306 177.2534 23 C 4.5438 8.1968 115.6780 59.4932 34.4467 174.1123 24 P 4.1387 0.0000 0.0000 66.1453 30.7159 178.8466 25 V 3.7072 8.1876 112.2058 63.9127 31.3730 178.5586 26 L 4.0409 8.0050 118.8613 57.5091 41.3920 179.3733 27 R 2.8825 8.1415 119.1658 59.2327 29.9544 178.6844 28 Q 3.9023 7.8953 117.1733 58.6893 28.7084 178.5417 29 A 3.9411 8.1049 121.8943 54.9328 18.3670 179.5538 30 A 3.6662 8.0486 119.4885 55.3773 18.3198 179.9356 31 Q 3.9523 8.1390 116.6243 59.1325 28.6320 179.0887 32 Q 3.9498 8.0879 119.2609 58.8112 28.7022 178.9474 33 V 3.5325 7.6595 119.2557 65.6915 31.3444 177.7840 34 L 3.9112 7.6982 119.2002 58.1503 41.9895 178.6095 35 Q 4.0762 8.0931 118.4325 59.4112 29.2577 178.0138 36 R 4.1548 8.1890 116.9752 56.8865 30.3855 176.1976 37 Q 4.5985 7.3536 116.5556 53.7096 31.7555 175.2212 38 I 4.0077 8.1018 120.2165 60.5801 36.8065 176.3442 39 I 4.2428 8.0418 127.8805 59.5364 37.0266 175.6998 40 Q 4.1600 8.7941 125.4476 58.5061 29.0182 177.3956 41 G 4.1131 7.5455 103.2897 43.5515 0.0000 171.0201 42 P 4.2862 0.0000 0.0000 65.6379 31.2063 178.5392 43 Q 4.0069 8.0253 115.7778 59.6484 28.5409 178.5816 44 Q 4.0248 8.0561 120.2069 58.1662 28.8129 178.3474 45 L 4.0426 8.0770 121.4338 58.0792 42.0578 178.9733 46 R 3.9791 8.1663 118.5713 59.7575 30.0147 178.7548 47 R 3.9422 8.1333 117.7775 58.9473 29.9768 178.6603 48 L 3.8762 8.1783 120.3412 58.4999 42.0774 179.2834 49 F 4.2343 8.3070 117.4014 60.4184 38.8123 177.5442 50 D 4.3877 8.6391 118.8349 57.2108 40.4060 178.5117 51 A 3.9711 8.0690 120.0288 55.1112 18.7290 179.2585 52 A 4.1544 7.9843 119.1010 55.5935 18.5299 179.9496 53 R 3.5157 8.4741 116.9690 59.4068 30.0975 178.5856 54 N 4.5816 8.2559 114.7468 54.6389 38.6431 177.0816 55 L 3.9866 7.7383 120.8651 57.5303 41.5861 177.5328 56 P 4.2557 0.0000 0.0000 65.5932 31.3365 178.3612 57 N 4.3671 8.0282 114.7925 56.2867 38.4847 177.4214 58 I 3.7521 7.7517 120.1866 64.2167 37.2758 176.9905 59 C 4.5010 8.3981 114.9682 56.1449 40.7706 173.0345 60 N 4.0960 8.0400 117.0430 54.1722 36.0409 174.8315 61 I 4.0199 8.5252 119.5873 61.8128 39.1889 174.6160 62 P 3.4223 0.0000 0.0000 63.3465 32.3124 178.0173 63 N 4.7577 9.1172 122.7346 52.3444 38.0596 175.5446 64 I 4.4933 7.2144 117.6795 59.9915 41.5948 175.8019 65 G 4.4500 8.3385 116.0091 43.2065 0.0000 172.2020 66 A 4.1528 8.3779 122.3463 52.3814 18.4781 178.4008 67 C 4.3345 8.8642 121.7428 56.3556 40.5715 172.3205 68 P 4.5629 0.0000 0.0000 62.5036 31.1992 176.0793 69 F 4.4138 6.8538 113.4876 57.1376 38.2403 175.3891 70 R 4.0598 8.5456 119.5549 56.1336 30.2204 176.3607 71 A 2.6853 8.0183 120.4291 51.8539 18.9915 177.2239 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 5 P 0.00 4.34 0.00 2.19 2.07 0.00 3.56 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 2.01 2.09 0.00 6 A 8.62 3.75 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 7 L 8.13 3.83 0.00 1.68 1.69 0.92 0.82 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 8 R 8.02 3.85 0.00 1.91 2.06 0.00 3.24 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 9 Q 7.93 4.00 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 10 C 8.50 4.05 0.00 2.97 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 11 C 8.68 4.31 0.00 3.10 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 12 N 8.05 4.28 0.00 2.89 2.88 0.00 0.00 7.08 7.09 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 13 Q 8.17 4.12 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 14 L 8.22 3.97 0.00 1.94 1.79 0.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.85 4.24 0.00 2.00 1.97 0.00 3.21 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 16 Q 7.92 4.32 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 17 V 7.04 4.04 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 0.72 0.00 0.00 0.99 0.00 0.00 18 D 8.51 4.47 0.00 2.79 2.61 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 19 R 8.95 3.98 0.00 1.85 2.01 0.00 3.13 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 20 P 0.00 4.50 0.00 2.23 2.18 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 21 C 8.43 4.52 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 3.61 2.21 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 1.07 0.00 0.00 0.97 0.00 0.00 23 C 8.20 4.54 0.00 3.12 3.37 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 24 P 0.00 4.14 0.00 2.27 2.33 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 25 V 8.19 3.71 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 0.84 0.00 0.00 1.04 0.00 0.00 26 L 8.01 4.04 0.00 2.13 1.97 1.08 0.75 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 27 R 8.14 2.88 0.00 1.38 1.85 0.00 2.48 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 28 Q 7.90 3.90 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 29 A 8.10 3.94 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 30 A 8.05 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.14 3.95 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 32 Q 8.09 3.95 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 33 V 7.66 3.53 2.07 0.00 0.00 0.00 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 0.89 0.00 0.00 34 L 7.70 3.91 0.00 1.72 1.88 0.96 0.71 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 35 Q 8.09 4.08 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 36 R 8.19 4.15 0.00 1.89 1.96 0.00 3.15 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 37 Q 7.35 4.60 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 38 I 8.10 4.01 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 1.41 0.50 0.91 0.00 0.00 39 I 8.04 4.24 1.90 0.00 0.00 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 1.42 0.82 0.95 0.00 0.00 40 Q 8.79 4.16 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 41 G 7.55 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.29 0.00 2.18 2.14 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 43 Q 8.03 4.01 0.00 2.26 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 44 Q 8.06 4.02 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 45 L 8.08 4.04 0.00 1.95 1.93 1.26 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.17 3.98 0.00 2.05 2.18 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 47 R 8.13 3.94 0.00 2.06 1.98 0.00 3.21 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 48 L 8.18 3.88 0.00 1.81 1.87 0.80 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.31 4.23 0.00 3.25 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.64 4.39 0.00 2.97 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 51 A 8.07 3.97 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 52 A 7.98 4.15 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.47 3.52 0.00 1.92 1.80 0.00 2.96 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.59 0.00 54 N 8.26 4.58 0.00 2.81 2.84 0.00 0.00 6.99 6.74 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 55 L 7.74 3.99 0.00 1.90 1.76 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.26 0.00 2.29 2.11 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 57 N 8.03 4.37 0.00 2.86 2.84 0.00 0.00 7.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.75 3.75 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 1.52 0.68 0.91 0.00 0.00 59 C 8.40 4.50 0.00 3.02 3.13 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 60 N 8.04 4.10 0.00 2.89 2.91 0.00 0.00 6.98 6.90 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 61 I 8.53 4.02 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.92 0.00 0.00 62 P 0.00 3.42 0.00 2.06 1.65 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 63 N 9.12 4.76 0.00 2.71 2.78 0.00 0.00 6.58 7.45 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 64 I 7.21 4.49 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.49 0.92 0.00 0.00 65 G 8.34 4.45 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 0.00 66 A 8.38 4.15 1.24 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 0.00 0.00 67 C 8.86 4.33 0.00 2.09 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.56 0.00 2.14 2.06 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 69 F 6.85 4.41 0.00 3.09 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 70 R 8.55 4.06 0.00 1.87 1.96 0.00 3.20 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 71 A 8.02 2.69 0.59 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 0.00 0.00 0.00 0.00 0.00 0.00