NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 4.0772 8.0549 114.0570 61.5455 33.2088 175.1419 12 Q 4.3945 7.9861 118.6001 53.5211 30.9060 175.4566 13 R 4.2692 9.2764 123.4438 54.8833 33.3754 175.0282 14 P 4.1680 0.0000 0.0000 66.3448 30.9567 178.5383 15 L 3.8595 7.8152 116.0996 58.8059 41.9012 178.8017 16 D 4.4491 8.4761 117.0263 57.8206 40.6672 178.8375 17 A 3.8670 8.1584 120.0050 55.6399 18.5570 179.5159 18 L 3.9019 8.0665 118.6974 58.1072 41.9821 179.4185 19 G 4.0363 9.0357 106.4644 47.8299 0.0000 174.8428 20 N 4.7196 7.7547 115.4899 54.4241 38.4422 175.5533 21 S 4.7258 7.6477 115.3894 57.7841 63.8932 174.3337 22 L 3.9925 8.4201 121.7039 56.6173 42.2909 177.0549 23 N 4.2951 9.1229 119.6795 53.5487 36.4346 174.4639 24 S 4.8111 7.3032 112.0816 56.3365 68.1275 174.2405 25 P 4.7331 0.0000 0.0000 63.9631 31.2085 175.5383 26 V 5.0271 8.8881 114.3411 59.3557 37.0638 173.7363 27 I 4.8579 9.0063 122.0266 59.7150 40.6921 175.1854 28 I 4.7408 8.8778 126.7745 59.5037 40.3650 174.3157 29 K 4.4845 8.2528 129.6967 54.8062 33.4940 176.0063 30 L 4.8616 8.6278 128.2379 52.7853 44.5458 176.1903 31 K 3.9590 8.6063 120.8521 58.0012 32.1410 178.0058 32 G 3.9329 8.8395 111.3560 45.0390 0.0000 173.8395 33 D 4.7499 7.7094 118.9640 53.6636 40.3070 174.9262 34 R 3.7599 7.6988 119.5451 57.0237 30.9269 174.8659 35 E 5.0748 8.3161 125.4927 54.6637 33.7100 174.3423 36 F 5.1021 8.7444 120.7737 56.4821 43.8332 173.7338 37 R 5.0915 8.5567 122.8756 53.4701 33.1334 176.0277 38 G 3.9854 7.6955 107.2472 46.6774 0.0000 170.8958 39 V 4.7942 7.4451 119.7499 60.5827 33.4052 175.3458 40 L 4.2317 8.3222 130.7606 56.2096 42.3161 177.4775 41 K 4.4715 8.5749 124.3062 57.5477 35.0708 176.2156 42 S 4.6913 7.7656 111.5867 58.1017 65.7811 174.4903 43 F 5.5345 8.1090 113.1476 57.2326 39.8501 172.5134 44 D 5.0987 8.2363 120.9379 51.1907 41.9971 176.5659 45 L 4.0180 8.3822 117.7201 57.9992 41.4791 178.0646 46 H 4.5122 8.2344 114.0729 56.0731 29.1408 175.9299 47 M 3.2940 8.4166 118.3318 56.0325 29.9493 176.5407 48 N 4.9584 8.6891 117.0753 53.6593 39.9066 174.1687 49 L 5.1048 9.1150 121.4571 54.6952 44.6664 174.2920 50 V 4.8291 8.5469 120.5337 61.3138 33.9444 174.3724 51 L 5.2930 8.8260 127.0921 53.0967 45.1508 175.2148 52 N 4.9510 8.6783 120.8391 51.8431 40.9913 174.2759 53 D 4.5542 8.2333 119.2413 55.2613 39.6923 173.0179 54 A 4.9286 8.3477 122.1413 51.2742 21.5113 177.7398 55 E 5.0160 9.2702 119.7910 54.6244 33.9235 174.9759 56 E 4.5632 9.6486 126.4834 54.7362 29.8217 175.5381 57 L 4.3468 7.7617 125.4081 55.1287 42.7972 177.8959 58 E 4.3746 8.7270 120.0567 56.5168 31.4669 174.1207 59 D 4.1957 8.7996 128.2311 54.8250 37.5025 175.8330 60 G 3.9458 8.0659 103.9835 45.7168 0.0000 172.0914 61 E 4.5214 7.4925 121.2486 53.5864 31.3640 175.2734 62 V 4.0126 8.5134 126.5768 63.7186 31.9168 175.3454 63 T 4.4850 8.6049 115.8970 60.2261 69.3120 173.5936 64 R 4.5487 7.3607 121.9484 56.5578 32.6222 172.9163 65 R 4.8721 8.6437 124.9594 55.2436 31.4079 176.2034 66 L 4.7888 8.7960 120.0315 53.2874 45.0176 178.2069 67 G 3.7521 7.6439 110.3876 47.1940 0.0000 176.4010 68 T 5.5565 8.9501 122.5566 61.8308 68.8864 173.1092 69 V 4.4559 8.2368 125.2486 59.6479 35.4443 174.1140 70 L 4.9186 8.4542 124.3425 53.7195 43.4808 175.2108 71 I 4.4277 8.5612 128.0922 59.4879 39.8543 175.4944 72 R 5.1943 7.9452 125.2172 54.7449 30.7011 177.6388 73 G 3.8645 9.1113 112.1488 47.7750 0.0000 174.5503 74 D 4.2976 8.1576 117.9916 56.6959 41.3570 176.4065 75 N 4.6972 8.3488 115.1870 53.4251 39.3013 174.7121 76 I 4.1567 7.6114 120.8629 61.1405 37.8498 175.7230 77 V 4.0816 8.9323 126.8346 65.1552 32.0459 175.1869 78 Y 4.9793 7.0430 115.8767 56.1770 41.4552 172.8163 79 I 5.3153 8.4353 119.4396 59.6998 41.0770 175.0534 80 S 4.8283 9.1828 120.5160 55.7918 66.0577 174.1525 81 R 4.1150 8.7689 121.0874 56.8730 28.9088 176.2025 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 11 V 8.05 4.08 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 0.90 0.00 0.00 0.94 0.00 0.00 12 Q 7.99 4.39 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.47 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 13 R 9.28 4.27 0.00 1.87 1.88 0.00 3.16 0.00 0.00 3.35 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 14 P 0.00 4.17 0.00 2.14 2.08 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 15 L 7.82 3.86 0.00 1.67 1.91 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.48 4.45 0.00 2.85 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 17 A 8.16 3.87 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 18 L 8.07 3.90 0.00 1.49 1.42 0.71 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.04 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 0.00 0.00 0.00 20 N 7.75 4.72 0.00 2.89 2.90 0.00 0.00 6.87 7.42 0.00 0.00 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 S 7.65 4.73 0.00 4.04 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.42 3.99 0.00 1.68 1.67 0.92 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.12 4.30 0.00 2.79 2.85 0.00 0.00 6.81 8.07 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 24 S 7.30 4.81 0.00 3.97 3.71 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 25 P 0.00 4.73 0.00 2.09 2.09 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 26 V 8.89 5.03 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 1.04 0.00 0.00 0.96 0.00 0.00 27 I 9.01 4.86 1.98 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 1.27 0.84 1.05 0.00 0.00 28 I 8.88 4.74 2.01 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 1.16 0.97 0.93 0.00 0.00 29 K 8.25 4.48 0.00 0.90 0.74 0.00 1.59 0.00 0.00 1.49 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.01 1.12 7.81 30 L 8.63 4.86 0.00 1.59 1.68 1.26 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.61 3.96 0.00 1.72 1.75 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.58 7.81 32 G 8.84 3.93 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 0.00 0.00 0.00 33 D 7.71 4.75 0.00 2.76 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 34 R 7.70 3.76 0.00 1.82 1.75 0.00 2.21 0.00 0.00 2.66 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.39 0.00 35 E 8.32 5.07 0.00 1.93 1.59 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 2.22 2.22 0.00 36 F 8.74 5.10 0.00 3.08 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 37 R 8.56 5.09 0.00 1.79 1.84 0.00 3.24 0.00 0.00 3.29 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.42 0.00 38 G 7.70 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 39 V 7.45 4.79 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 0.99 0.00 0.00 0.99 0.00 0.00 40 L 8.32 4.23 0.00 1.80 1.76 1.09 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.57 4.47 0.00 1.79 1.80 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.64 7.81 42 S 7.77 4.69 0.00 3.76 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.11 5.53 0.00 3.17 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 44 D 8.24 5.10 0.00 2.89 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 45 L 8.38 4.02 0.00 1.50 1.71 0.90 1.06 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 46 H 8.23 4.51 0.00 3.36 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.42 3.29 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 48 N 8.69 4.96 0.00 2.98 2.76 0.00 0.00 6.55 6.84 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 49 L 9.12 5.10 0.00 1.85 1.80 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.55 4.83 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 0.94 0.00 0.00 0.93 0.00 0.00 51 L 8.83 5.29 0.00 1.50 1.48 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.68 4.95 0.00 2.59 2.71 0.00 0.00 6.36 8.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.23 4.55 0.00 2.77 2.67 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 0.00 0.00 0.00 0.00 54 A 8.35 4.93 1.28 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 0.00 0.00 55 E 9.27 5.02 0.00 1.92 1.84 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 2.24 2.26 0.00 56 E 9.65 4.56 0.00 2.29 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 2.02 1.63 0.00 57 L 7.76 4.35 0.00 1.51 1.52 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.73 4.37 0.00 1.89 1.77 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 2.18 2.25 0.00 59 D 8.80 4.20 0.00 2.97 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 60 G 8.07 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 0.00 0.00 0.00 61 E 7.49 4.52 0.00 1.97 1.91 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 2.18 2.23 0.00 62 V 8.51 4.01 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 0.91 0.00 0.00 0.99 0.00 0.00 63 T 8.60 4.48 4.22 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 1.18 0.00 0.00 64 R 7.36 4.55 0.00 1.88 1.88 0.00 3.23 0.00 0.00 3.38 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 65 R 8.64 4.87 0.00 1.85 1.86 0.00 3.46 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 66 L 8.80 4.79 0.00 1.52 1.62 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.64 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.95 5.56 4.23 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 1.23 0.00 0.00 69 V 8.24 4.46 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 0.55 0.00 0.00 0.75 0.00 0.00 70 L 8.45 4.92 0.00 1.60 1.56 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.56 4.43 1.79 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.37 0.86 0.00 0.00 72 R 7.95 5.19 0.00 1.87 1.86 0.00 3.42 0.00 0.00 3.30 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 73 G 9.11 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.16 4.30 0.00 2.63 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 75 N 8.35 4.70 0.00 2.79 2.84 0.00 0.00 6.86 7.66 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 76 I 7.61 4.16 2.00 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 1.17 0.46 0.88 0.00 0.00 77 V 8.93 4.08 2.01 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 0.90 0.00 0.00 0.93 0.00 0.00 78 Y 7.04 4.98 0.00 3.02 3.02 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 0.00 0.00 0.00 79 I 8.44 5.32 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.97 0.00 0.00 80 S 9.18 4.83 0.00 3.96 3.73 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 81 R 8.77 4.12 0.00 2.08 2.06 0.00 3.10 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00