NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4393 8.3049 120.3471 55.3765 33.3795 174.7085 2 D 4.5793 8.4551 124.8572 51.1392 44.3484 171.9189 3 E 4.6186 8.9758 122.5066 56.0205 31.1226 174.9520 4 T 4.6458 7.5494 111.8481 61.6564 70.5767 172.6549 5 G 3.9690 8.3602 111.4951 45.4353 0.0000 175.0157 6 K 4.1209 7.3106 123.1479 55.2044 30.5662 175.1428 7 E 4.8737 8.1028 123.3106 53.8451 33.7601 174.1566 8 L 5.2385 8.9228 118.3565 53.1585 45.0675 176.5166 9 V 4.7351 8.7135 116.1039 59.4480 35.3164 174.3172 10 L 4.9148 8.8734 126.4042 53.4320 44.3614 175.1492 11 A 4.4335 8.7715 127.9561 52.1788 19.1726 177.8832 12 L 3.9255 8.6627 124.3559 57.3629 41.9907 177.0650 13 Y 4.7673 7.9786 113.5853 55.9212 41.3611 173.8473 14 D 4.9353 8.5348 119.8579 52.9953 40.9598 175.2242 15 Y 4.9025 9.0671 123.2249 55.9320 43.1407 173.2809 16 Q 4.9385 7.1593 119.5121 53.4483 32.2395 176.7252 17 E 4.3913 8.4542 118.8944 55.7538 27.5207 177.3669 18 K 4.0996 8.0664 126.6933 59.1465 33.1419 176.5307 19 S 4.8307 7.3707 114.3326 55.5504 65.9503 173.0110 20 P 4.4809 0.0000 0.0000 64.3405 31.4274 177.0108 21 R 4.5437 7.8155 114.5660 56.2325 31.1928 175.4518 22 E 5.1327 7.5994 118.0411 55.8338 31.0330 175.7187 23 V 4.6046 8.4736 114.6399 59.7772 35.2697 175.2364 24 T 4.4953 8.4296 118.2966 63.4766 69.2201 174.6203 25 M 5.0321 8.7860 124.5142 53.4569 36.3839 174.5194 26 K 4.9846 8.3450 120.7172 54.0599 36.1934 175.6226 27 K 4.0019 8.8268 125.8413 58.9488 32.5283 176.8440 28 G 3.9691 9.1186 112.4906 44.9193 0.0000 172.8898 29 D 4.7066 8.3193 121.0048 53.6903 42.1664 175.4609 30 I 4.8411 8.3742 124.4215 59.8458 38.9654 175.0140 31 L 4.9175 8.8755 126.0877 53.0926 45.8968 175.2347 32 T 4.7204 8.4450 116.9963 62.3596 69.9237 174.5798 33 L 4.1709 8.8736 129.9852 55.5558 42.0993 175.4602 34 L 4.5840 9.0808 125.4158 55.7012 44.2238 176.4398 35 N 5.0282 7.9701 117.1441 51.2604 41.9390 174.3917 36 S 4.6463 8.5798 120.9837 58.3772 63.7290 173.9814 37 T 4.4586 8.2572 108.5817 62.1998 68.6059 174.3943 38 N 4.8685 8.1874 121.6377 52.6331 39.7656 174.3815 39 K 3.7781 8.9597 125.9622 59.8172 32.2402 178.0564 40 D 4.1339 7.4503 118.4047 55.9264 40.7174 176.1692 41 W 5.1733 8.0246 118.5344 54.6513 32.7278 174.4109 42 W 5.4589 9.5517 122.6848 54.9436 32.6246 174.5120 43 K 4.3980 9.0584 125.3256 55.5279 32.7584 175.9843 44 V 4.9416 8.6177 120.4278 59.4981 35.8217 174.0920 45 E 5.0029 9.1115 122.3353 54.7270 32.4862 175.2639 46 V 4.9977 8.9680 119.7759 59.3908 35.6978 174.1439 47 K 5.1266 8.5852 119.4236 55.5485 35.3977 175.7920 48 A 4.7813 8.5401 124.1069 51.1554 22.2936 175.4452 49 T 4.9065 7.9482 111.6207 61.1225 70.2867 173.4256 50 A 4.3198 8.9927 127.7864 53.1825 22.7959 175.7021 51 N 4.3062 9.7056 118.7711 54.9768 36.2216 174.0668 52 D 4.4347 8.3540 111.1464 55.0406 39.2073 173.6764 53 K 4.4937 8.0571 118.4474 54.6128 35.5034 175.4450 54 T 4.9375 8.1854 115.6032 60.3194 69.8224 174.2335 55 Y 4.7415 8.0400 125.3422 56.9490 40.9641 173.9106 56 E 5.2218 8.7129 117.8201 55.3974 33.4564 175.4960 57 R 4.7161 9.1925 122.4858 55.2865 34.0863 173.7327 58 Q 4.9883 8.3596 122.7524 54.7406 31.4265 175.1038 59 G 4.1385 8.4378 105.1660 45.7358 0.0000 173.1739 60 F 5.1064 8.9504 121.7585 57.4371 40.8500 175.0884 61 V 5.2236 9.0762 113.1992 59.5242 36.9559 171.7569 62 P 3.8725 0.0000 0.0000 62.4090 31.5108 177.2486 63 A 3.4711 7.9310 127.8416 53.7550 18.1669 177.8940 64 A 3.8681 6.9262 117.0831 53.5228 18.8382 177.0963 65 Y 5.2882 7.4752 114.5066 57.3121 39.0559 175.7298 66 V 4.8429 7.8002 109.8911 60.3144 36.6696 175.1284 67 K 4.5131 9.1525 123.9152 55.1272 35.1606 175.1116 68 K 3.9576 9.0007 129.5184 57.3109 32.2781 175.6732 69 L 4.3447 8.7595 127.0109 56.5240 42.8477 176.5617 70 D 4.4951 7.7548 123.0151 53.6981 39.5833 176.2430 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 4.44 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 2 D 8.46 4.58 0.00 2.70 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.98 4.62 0.00 2.05 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 0.00 2.18 2.26 0.00 4 T 7.55 4.65 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 1.19 0.00 0.00 5 G 8.36 3.97 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 0.00 0.00 0.00 6 K 7.31 4.12 0.00 1.76 1.74 0.00 1.61 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.39 7.81 7 E 8.10 4.87 0.00 2.14 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 2.27 2.18 0.00 8 L 8.92 5.24 0.00 1.72 1.55 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.71 4.74 2.17 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 0.68 0.00 0.00 1.06 0.00 0.00 10 L 8.87 4.91 0.00 1.76 1.66 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.77 4.43 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.66 3.93 0.00 1.76 1.55 1.12 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.98 4.77 0.00 2.38 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 14 D 8.53 4.94 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.07 4.90 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.16 4.94 0.00 1.66 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.24 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 17 E 8.45 4.39 0.00 2.27 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 0.00 2.35 2.30 0.00 18 K 8.07 4.10 0.00 1.66 1.98 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.54 7.81 19 S 7.37 4.83 0.00 4.05 3.57 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 20 P 0.00 4.48 0.00 2.16 2.16 0.00 3.65 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 1.94 1.91 0.00 21 R 7.82 4.54 0.00 2.11 2.17 0.00 2.36 0.00 0.00 2.85 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 22 E 7.60 5.13 0.00 1.90 2.13 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 2.72 2.40 0.00 23 V 8.47 4.60 2.16 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 0.70 0.00 0.00 1.04 0.00 0.00 24 T 8.43 4.50 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 1.28 0.00 0.00 25 M 8.79 5.03 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 26 K 8.35 4.98 0.00 1.84 1.82 0.00 1.64 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.48 7.81 27 K 8.83 4.00 0.00 1.85 1.89 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.37 7.81 28 G 9.12 3.97 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 0.00 0.00 0.00 29 D 8.32 4.71 0.00 2.85 2.63 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 0.00 0.00 0.00 0.00 30 I 8.37 4.84 1.88 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 1.36 0.55 0.93 0.00 0.00 31 L 8.88 4.92 0.00 1.55 1.77 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.45 4.72 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 1.25 0.00 0.00 33 L 8.87 4.17 0.00 1.59 1.48 0.75 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 34 L 9.08 4.58 0.00 1.59 1.55 0.98 0.82 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 35 N 7.97 5.03 0.00 2.75 2.67 0.00 0.00 6.85 7.79 0.00 0.00 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 S 8.58 4.65 0.00 3.52 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 37 T 8.26 4.46 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 1.25 0.00 0.00 38 N 8.19 4.87 0.00 2.96 3.15 0.00 0.00 7.20 6.88 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 39 K 8.96 3.78 0.00 1.75 1.84 0.00 2.05 0.00 0.00 1.99 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.49 7.81 40 D 7.45 4.13 0.00 2.84 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 41 W 8.02 5.17 0.00 3.15 3.35 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 0.00 0.00 0.00 0.00 42 W 9.55 5.46 0.00 3.30 2.94 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 43 K 9.06 4.40 0.00 1.22 1.52 0.00 1.10 0.00 0.00 1.38 0.00 0.00 2.72 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.85 0.21 7.81 44 V 8.62 4.94 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 0.85 0.00 0.00 1.07 0.00 0.00 45 E 9.11 5.00 0.00 1.97 1.74 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 2.20 2.29 0.00 46 V 8.97 5.00 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 0.78 0.00 0.00 1.03 0.00 0.00 47 K 8.59 5.13 0.00 1.84 1.77 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.35 7.81 48 A 8.54 4.78 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.91 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 1.24 0.00 0.00 50 A 8.99 4.32 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 51 N 9.71 4.31 0.00 2.90 2.91 0.00 0.00 7.20 8.12 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 52 D 8.35 4.43 0.00 2.77 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 53 K 8.06 4.49 0.00 1.50 1.09 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.21 1.38 7.81 54 T 8.19 4.94 4.18 0.00 0.00 0.00 0.00 0.00 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 55 Y 8.04 4.74 0.00 2.97 2.91 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 56 E 8.71 5.22 0.00 1.81 1.82 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 2.22 2.37 0.00 57 R 9.19 4.72 0.00 1.89 1.73 0.00 3.13 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 58 Q 8.36 4.99 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.54 0.00 59 G 8.44 4.14 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 0.00 0.00 0.00 60 F 8.95 5.11 0.00 3.15 3.06 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 0.00 0.00 0.00 61 V 9.08 5.22 2.24 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 0.87 0.00 0.00 1.16 0.00 0.00 62 P 0.00 3.87 0.00 1.27 1.03 0.00 3.67 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.44 0.00 63 A 7.93 3.47 -0.26 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 64 A 6.93 3.87 0.57 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 0.00 0.00 65 Y 7.48 5.29 0.00 2.69 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 66 V 7.80 4.84 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 0.79 0.00 0.00 1.26 0.00 0.00 67 K 9.15 4.51 0.00 1.82 1.67 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.58 7.81 68 K 9.00 3.96 0.00 1.75 1.70 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.39 7.81 69 L 8.76 4.34 0.00 1.76 1.61 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.75 4.50 0.00 2.75 2.63 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 0.00 0.00 0.00 0.00