NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 M 4.3755 8.3049 120.2634 55.4403 33.4324 175.9156 8 C 4.3037 8.3204 121.3762 55.1734 41.7625 171.1340 9 L 5.1188 8.9660 121.5936 53.2951 44.7944 176.9550 10 L 4.1761 8.6891 123.1160 54.9692 43.0986 175.4216 11 A 3.8452 8.8075 130.3728 53.0767 17.4247 177.8400 12 N 5.0201 7.8533 105.8904 52.7825 40.5676 174.1578 13 T 4.6720 8.4407 110.9002 60.0202 71.1506 172.7475 14 T 5.0680 8.4400 114.6952 60.5077 70.4724 173.8179 15 F 5.1141 8.7065 119.6245 54.2628 42.2360 172.0637 16 P 4.5139 0.0000 0.0000 62.7468 31.7638 177.7580 17 C 3.8714 9.1125 122.8197 60.2597 40.2451 176.5655 18 S 4.1184 8.0517 111.5261 60.2582 62.9810 174.2403 19 Q 4.5873 7.6755 120.6644 53.2325 28.6668 173.2332 20 P 4.5552 0.0000 0.0000 61.0587 32.8184 176.6488 21 P 4.3567 0.0000 0.0000 65.2692 31.5335 176.7054 22 C 4.3864 7.9630 113.2764 57.6925 42.0236 174.2658 23 T 4.0341 7.1308 109.8647 61.1033 68.6642 172.0939 24 P 4.4417 0.0000 0.0000 63.3068 32.8486 175.6755 25 C 4.1116 8.6254 118.1199 58.0036 31.2405 174.6081 26 C 4.3622 8.3336 120.8714 60.0174 40.0438 174.6938 27 Y 3.9308 7.4116 119.7555 60.6043 38.4244 177.3382 28 E 4.1321 8.1759 118.5005 59.1786 29.7012 179.0600 29 K 4.3514 7.4913 116.4810 57.7860 32.8202 177.5194 30 E 4.4509 7.8846 123.4347 53.7384 31.8489 174.9246 31 P 3.7497 0.0000 0.0000 65.1630 32.1364 178.6255 32 E 4.0095 8.0805 119.1338 59.1618 29.5105 178.4711 33 E 4.0260 8.0559 118.1060 59.4840 29.5342 179.4310 34 T 3.9549 7.5633 114.7413 66.6853 68.6471 176.9521 35 L 4.1429 7.6593 119.5271 57.8224 41.4932 179.8190 36 R 4.0093 7.9487 117.9532 59.1967 29.7219 178.7670 37 M 4.1880 7.6553 117.5801 58.7147 32.4273 178.0477 38 L 4.2789 7.9147 118.7296 57.8341 41.5665 179.3260 39 E 4.0129 8.1029 117.7450 59.2579 29.4229 178.5834 40 D 4.6128 7.7521 116.4723 55.9278 41.1746 177.4314 41 N 4.9126 7.6301 116.1010 52.8801 38.6377 177.0819 42 V 2.9070 7.6949 122.4023 64.5076 31.5088 177.0421 43 M 4.2082 7.7295 117.6024 56.0100 32.4943 176.7605 44 R 4.1524 7.2820 118.2322 55.3647 30.7780 175.2650 45 P 4.4349 0.0000 0.0000 65.1712 31.9313 177.1402 46 G 4.1296 7.7897 106.7974 45.8834 0.0000 175.5062 47 Y 3.9768 8.2152 122.1933 60.6676 38.9084 176.2286 48 Y 4.0893 8.0010 116.4541 60.4519 37.6098 178.0686 49 Q 4.0483 7.7277 118.8225 58.4342 28.7273 178.0803 50 L 4.2872 7.5541 122.4084 57.2859 41.7720 178.4693 51 L 3.7234 7.5231 120.2956 57.9808 41.6753 178.7829 52 Q 3.9761 7.6552 118.8592 58.8626 29.0736 177.6077 53 A 4.1576 7.4384 119.7471 55.3066 18.5699 179.6048 54 S 4.2993 8.5082 113.9267 60.6102 62.6234 175.5035 55 L 5.0315 7.3593 119.5882 54.7599 41.9338 176.1820 56 T 4.6080 7.8742 114.6784 61.9222 71.4317 174.7235 57 C 4.5444 8.6979 125.0131 56.7419 45.0518 173.2672 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 7 M 8.30 4.38 0.00 1.84 2.03 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 8 C 8.32 4.30 0.00 1.90 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.97 5.12 0.00 1.59 1.60 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.69 4.18 0.00 1.90 1.63 0.90 1.40 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 11 A 8.81 3.85 1.35 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 0.00 0.00 12 N 7.85 5.02 0.00 2.80 2.87 0.00 0.00 5.81 7.71 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 13 T 8.44 4.67 4.30 0.00 0.00 0.00 0.00 0.00 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 14 T 8.44 5.07 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 1.22 0.00 0.00 15 F 8.71 5.11 0.00 3.06 3.07 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 16 P 0.00 4.51 0.00 2.13 2.02 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 17 C 9.11 3.87 0.00 2.90 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 18 S 8.05 4.12 0.00 3.99 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 19 Q 7.68 4.59 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 20 P 0.00 4.56 0.00 2.16 2.33 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 21 P 0.00 4.36 0.00 2.06 2.05 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 22 C 7.96 4.39 0.00 3.07 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 23 T 7.13 4.03 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 1.22 0.00 0.00 24 P 0.00 4.44 0.00 2.20 2.08 0.00 3.91 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 25 C 8.63 4.11 0.00 3.17 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.33 4.36 0.00 3.23 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 27 Y 7.41 3.93 0.00 2.82 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 28 E 8.18 4.13 0.00 1.99 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 2.36 2.53 0.00 29 K 7.49 4.35 0.00 1.77 1.83 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.57 7.81 30 E 7.88 4.45 0.00 1.91 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 2.16 2.16 0.00 31 P 0.00 3.75 0.00 1.78 1.38 0.00 3.55 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.68 0.00 32 E 8.08 4.01 0.00 2.01 1.94 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 2.37 2.39 0.00 33 E 8.06 4.03 0.00 1.98 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 2.37 2.48 0.00 34 T 7.56 3.95 4.35 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 1.31 0.00 0.00 35 L 7.66 4.14 0.00 1.80 1.79 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.95 4.01 0.00 1.81 2.00 0.00 3.30 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 37 M 7.66 4.19 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.73 0.00 38 L 7.91 4.28 0.00 1.99 1.91 0.98 0.90 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 39 E 8.10 4.01 0.00 2.22 2.04 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 2.36 2.39 0.00 40 D 7.75 4.61 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.63 4.91 0.00 2.84 2.91 0.00 0.00 6.59 7.56 0.00 0.00 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 V 7.69 2.91 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 0.65 0.00 0.00 0.50 0.00 0.00 43 M 7.73 4.21 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 44 R 7.28 4.15 0.00 1.97 1.86 0.00 3.30 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 45 P 0.00 4.43 0.00 2.05 2.13 0.00 3.66 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 2.02 2.08 0.00 46 G 7.79 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 0.00 0.00 0.00 47 Y 8.22 3.98 0.00 3.23 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 48 Y 8.00 4.09 0.00 3.11 2.99 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 49 Q 7.73 4.05 0.00 2.40 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 50 L 7.55 4.29 0.00 1.66 1.61 1.19 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.52 3.72 0.00 1.19 1.44 0.80 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.66 3.98 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 53 A 7.44 4.16 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 54 S 8.51 4.30 0.00 3.85 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 55 L 7.36 5.03 0.00 1.72 1.60 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.87 4.61 4.25 0.00 0.00 0.00 0.00 0.00 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 57 C 8.70 4.54 0.00 2.89 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