NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6177 8.4249 119.1974 53.6669 39.9979 173.7953 0 L 4.2168 8.1005 123.4065 54.0190 42.0374 174.1623 1 Y 4.7177 8.6488 118.1858 55.7056 40.6426 175.7171 2 F 4.4366 8.6811 122.5333 58.1818 39.6707 174.7515 3 Q 4.7001 8.7207 121.6932 54.1141 31.9352 175.4114 4 G 4.1547 8.5685 110.7424 44.5944 0.0000 173.5791 5 S 4.5727 8.3315 112.0785 56.9728 64.6018 174.1002 6 A 4.0466 8.0894 124.1712 52.9380 18.5633 176.8362 7 N 5.0150 8.3619 118.8857 50.7771 41.3182 174.6871 8 A 4.1831 8.5379 124.3575 52.5377 19.0237 177.4470 9 V 4.1958 7.9586 114.7213 58.8545 35.8217 174.9636 10 C 4.3281 7.9449 122.2378 59.1015 31.8682 174.0898 11 Q 3.7901 8.7889 129.3101 59.3044 28.8081 177.9780 12 R 4.1871 8.1479 116.4767 58.8139 30.2616 176.4767 13 C 4.5524 7.9159 109.8098 57.1392 30.9565 174.8258 14 Q 3.6657 8.2105 117.7847 56.2552 26.8466 173.4423 15 A 4.2057 7.1896 120.2937 51.3457 19.2986 177.9588 16 R 4.3306 8.0654 119.2238 55.7631 31.1700 175.8976 17 F 5.2304 8.1241 117.5093 55.6376 41.0015 176.3687 18 S 4.4416 9.2259 120.2100 57.4406 63.5448 173.7508 19 P 4.2974 0.0000 0.0000 64.9420 31.2716 177.3376 20 A 4.3120 7.9175 120.0221 53.1952 19.3322 177.2583 21 E 4.3966 7.6191 113.6762 55.1983 30.9304 176.1236 22 R 4.0279 8.3623 121.3943 56.0817 30.7732 175.4844 23 I 4.1551 7.9238 126.3471 59.8964 38.4095 175.5567 24 V 3.6832 8.5857 128.4036 62.6408 32.6060 174.0608 25 N 5.2174 8.6220 126.9193 52.0050 40.4410 173.9691 26 S 4.3669 8.7494 121.5160 56.9480 63.7053 173.4263 27 N 4.3862 9.8723 128.0554 54.3917 35.7445 175.7864 28 G 3.9583 8.5582 104.9310 45.1059 0.0000 173.2415 29 E 4.6162 7.7416 119.4510 54.4647 32.2350 174.9329 30 L 4.9816 8.0705 123.2519 53.7780 44.0459 175.1540 31 Y 5.2108 8.7862 119.7826 56.2512 42.6725 174.8440 32 H 4.7433 9.1103 119.8109 55.8907 29.9963 175.8934 33 E 4.0017 9.2906 124.4331 59.8792 29.3424 178.3400 34 H 4.6781 8.2044 110.1557 56.7223 28.9961 175.1431 35 C 4.4924 8.1047 117.7923 60.6791 29.6622 174.4517 36 F 4.2621 7.4763 122.2969 56.3615 37.1527 174.0616 37 V 3.5034 6.5457 115.3320 58.6588 36.4563 174.7377 38 C 4.4367 7.8167 121.5011 59.3326 31.7946 174.6723 39 A 4.0990 8.6382 130.4185 55.0090 18.3626 178.8002 40 Q 4.1404 8.3049 116.3408 58.5971 29.3406 176.2190 41 C 4.0764 7.7317 110.0324 57.0239 30.8495 174.5857 42 F 4.2257 7.8150 117.6406 58.3161 36.9425 175.0065 43 R 4.4579 7.0589 120.1270 53.9752 31.2951 174.4715 44 P 4.2181 0.0000 0.0000 62.4849 32.1118 176.4365 45 F 4.4362 8.1065 120.4101 56.5787 39.5125 173.4169 46 P 4.4958 0.0000 0.0000 63.9347 31.5387 176.4156 47 E 3.6218 9.9095 118.8957 56.7946 28.3180 175.3960 48 G 4.0745 8.4105 105.9322 45.8590 0.0000 173.6363 49 L 4.0274 7.7712 122.5780 54.2394 42.4440 175.7763 50 F 5.0171 7.4513 119.8075 55.2030 41.3712 173.2954 51 Y 4.4284 9.3166 117.4343 56.1433 40.8247 174.7090 52 E 5.0348 8.8863 123.8820 55.7525 30.9751 175.9998 53 F 4.7747 9.7958 126.6047 57.7001 42.4543 174.2934 54 E 3.6855 9.3855 129.1877 57.4326 26.7338 175.8418 55 G 3.9896 8.2795 103.5569 45.5471 0.0000 173.1738 56 R 4.7713 7.9275 118.2635 54.1505 34.0970 174.6761 57 K 5.1577 8.2143 120.0979 55.1427 34.8108 174.9956 58 Y 5.4476 9.2890 121.5084 56.1735 42.5370 175.2132 59 C 4.9729 9.1320 117.1138 57.7096 31.1297 174.1478 60 E 4.0270 9.2491 120.6249 59.9332 28.9940 178.0640 61 H 4.0700 8.4347 117.4616 59.8003 29.8982 176.7105 62 D 4.2245 8.1669 119.8584 57.1018 40.7180 178.3858 63 F 3.8825 8.4970 121.3091 61.3781 39.1689 177.1943 64 Q 3.7312 7.9365 116.4624 59.2135 28.5512 178.5025 65 M 3.9667 7.7812 118.6969 57.4376 31.9700 177.7476 66 L 3.8958 7.0381 117.0633 55.0699 43.1956 177.3282 67 F 4.3422 7.0879 113.2867 56.3176 40.9160 174.9263 68 A 3.6738 6.9919 127.7158 52.1502 18.0672 177.1050 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 N 8.42 4.62 0.00 2.72 2.79 0.00 0.00 6.90 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 L 8.10 4.22 0.00 1.18 1.23 0.75 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 1 Y 8.65 4.72 0.00 3.11 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.68 4.44 0.00 3.14 2.95 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 3 Q 8.72 4.70 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.31 0.00 4 G 8.57 4.15 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 0.00 0.00 0.00 5 S 8.33 4.57 0.00 3.93 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 6 A 8.09 4.05 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.36 5.01 0.00 2.70 2.74 0.00 0.00 7.00 7.35 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 8 A 8.54 4.18 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 9 V 7.96 4.20 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 0.71 0.00 0.00 0.86 0.00 0.00 10 C 7.94 4.33 0.00 2.37 2.59 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 11 Q 8.79 3.79 0.00 1.48 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 12 R 8.15 4.19 0.00 2.18 2.10 0.00 3.29 0.00 0.00 3.55 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 13 C 7.92 4.55 0.00 3.11 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 14 Q 8.21 3.67 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 15 A 7.19 4.21 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.07 4.33 0.00 1.76 1.86 0.00 3.16 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 17 F 8.12 5.23 0.00 3.04 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 9.23 4.44 0.00 4.04 4.04 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 P 0.00 4.30 0.00 2.08 2.18 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 20 A 7.92 4.31 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 21 E 7.62 4.40 0.00 2.11 2.03 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 2.64 2.35 0.00 22 R 8.36 4.03 0.00 1.79 1.87 0.00 3.21 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 23 I 7.92 4.16 1.49 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.22 0.33 0.00 0.00 24 V 8.59 3.68 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.96 0.00 0.00 25 N 8.62 5.22 0.00 2.66 2.62 0.00 0.00 6.89 7.63 0.00 0.00 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 S 8.75 4.37 0.00 3.12 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 9.87 4.39 0.00 2.99 2.91 0.00 0.00 7.32 7.65 0.00 0.00 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 8.56 3.96 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 0.00 0.00 0.00 29 E 7.74 4.62 0.00 2.09 1.64 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 2.32 2.29 0.00 30 L 8.07 4.98 0.00 1.68 1.52 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.79 5.21 0.00 2.85 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 32 H 9.11 4.74 0.00 3.18 3.13 0.00 5.84 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 9.29 4.00 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 34 H 8.20 4.68 0.00 3.29 3.42 0.00 5.56 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.10 4.49 0.00 3.28 3.20 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 0.00 0.00 0.00 0.00 36 F 7.48 4.26 0.00 2.81 2.95 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 37 V 6.55 3.50 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 0.64 0.00 0.00 0.94 0.00 0.00 38 C 7.82 4.44 0.00 3.04 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.10 1.05 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 0.00 0.00 40 Q 8.30 4.14 0.00 2.40 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 41 C 7.73 4.08 0.00 3.02 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 42 F 7.81 4.23 0.00 3.25 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 43 R 7.06 4.46 0.00 1.72 1.79 0.00 3.40 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 44 P 0.00 4.22 0.00 2.02 1.97 0.00 3.64 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 2.02 2.08 0.00 45 F 8.11 4.44 0.00 3.13 3.16 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 0.00 46 P 0.00 4.50 0.00 2.26 2.05 0.00 3.94 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 47 E 9.91 3.62 0.00 2.27 2.15 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 2.23 2.31 0.00 48 G 8.41 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.77 4.03 0.00 1.58 1.75 0.52 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 50 F 7.45 5.02 0.00 2.10 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 51 Y 9.32 4.43 0.00 2.47 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 0.00 0.00 0.00 52 E 8.89 5.03 0.00 1.96 2.02 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 2.65 2.43 0.00 53 F 9.80 4.77 0.00 3.30 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 54 E 9.39 3.69 0.00 1.71 1.69 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 1.60 1.47 0.00 55 G 8.28 3.99 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 0.00 0.00 0.00 56 R 7.93 4.77 0.00 1.88 1.55 0.00 3.26 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 57 K 8.21 5.16 0.00 1.60 1.43 0.00 1.15 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.31 1.31 7.81 58 Y 9.29 5.45 0.00 3.21 3.09 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 0.00 0.00 0.00 0.00 59 C 9.13 4.97 0.00 3.35 3.38 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 60 E 9.25 4.03 0.00 2.31 2.15 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 2.46 2.47 0.00 61 H 8.43 4.07 0.00 3.32 3.36 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.17 4.22 0.00 2.94 2.82 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 63 F 8.50 3.88 0.00 3.22 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.94 3.73 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 65 M 7.78 3.97 0.00 1.74 1.94 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.51 0.00 66 L 7.04 3.90 0.00 0.27 0.13 0.54 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.09 4.34 0.00 1.55 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 68 A 6.99 3.67 0.94 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