NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9870 8.3393 109.7346 45.7861 0.0000 172.8940 2 S 4.3631 8.4428 111.2657 59.4264 64.8456 174.2910 3 S 4.0596 8.4715 116.2533 60.2776 64.2495 175.8739 4 G 3.8574 8.0231 105.4987 46.1065 0.0000 173.0782 5 S 4.2758 7.6877 113.3556 58.8880 64.0212 174.9296 6 S 4.6187 8.6302 115.6236 55.4109 66.2747 174.7800 7 G 3.7772 7.8967 111.9646 46.1611 0.0000 174.2876 8 F 4.5805 7.2091 119.3349 55.4104 37.0479 174.1066 9 D 4.8742 8.3672 126.6368 53.0088 42.5944 176.6395 10 E 4.6455 8.6779 128.4841 55.4903 29.9095 175.7057 11 N 4.9882 7.8619 115.6950 51.6830 41.9075 173.9088 12 W 4.4603 9.1134 126.1428 56.1568 30.8593 175.1750 13 G 4.7609 8.7263 105.4193 42.2036 0.0000 173.5550 14 A 4.2119 8.8268 122.9160 56.1445 18.0802 179.2701 15 D 4.4818 8.2878 117.4759 57.1119 41.0323 178.1084 16 E 4.2258 8.1214 118.5884 59.1304 29.3803 178.6663 17 E 4.5278 9.0985 120.3134 58.6209 29.8516 178.3880 18 L 3.9992 8.2433 120.6731 57.9864 42.3094 178.7781 19 L 4.2724 8.2938 119.0834 57.7115 41.5227 178.9951 20 L 4.1890 7.8862 118.9290 58.9778 42.0492 178.7483 21 I 3.8277 7.7198 119.2939 64.0031 36.9738 177.6888 22 D 4.3779 8.4874 118.1465 57.6615 41.1669 179.3294 23 A 3.4156 8.1275 120.8595 55.3232 18.5833 179.0718 24 C 3.4986 8.0505 115.6508 63.0685 27.9371 176.1500 25 E 4.1387 7.8946 118.0410 58.9982 29.5763 177.9086 26 T 4.0441 7.8057 116.2842 65.7812 68.5957 176.1437 27 L 3.8800 7.0795 122.3514 57.9843 42.3457 178.3766 28 G 4.2320 7.8249 105.7666 44.3883 0.0000 174.0705 29 L 3.0101 8.2327 122.1407 56.5885 41.9737 179.4736 30 G 3.7642 7.7200 106.8768 47.9288 0.0000 172.3967 31 N 4.7974 7.4014 116.8545 50.2505 39.5531 174.2997 32 W 4.1235 8.6415 125.0126 59.1419 29.4430 177.3824 33 A 4.1106 8.3309 120.4283 55.5504 17.6636 179.1321 34 D 4.3743 8.0135 115.8663 57.6329 41.4439 178.3370 35 I 3.7541 7.8348 119.6231 64.3946 36.9994 177.9653 36 A 4.1252 8.7341 121.8096 55.4950 18.1271 179.3267 37 D 4.3299 7.6660 113.3968 57.1381 41.2890 177.1474 38 Y 4.2029 7.8044 119.3154 60.1332 39.0080 176.6899 39 V 3.9963 8.6357 119.3261 62.3406 32.6297 178.6989 40 G 3.7387 9.5299 107.3454 44.9717 0.0000 174.4506 41 N 4.0868 9.7575 115.5142 54.0866 35.5541 173.5990 42 A 3.6371 8.1146 113.5163 53.2733 16.1396 177.8034 43 R 4.7311 7.0285 117.9227 56.8672 33.6368 174.6155 44 T 4.4039 8.2423 109.8671 60.1374 70.1617 173.9579 45 K 4.0407 8.8364 125.7513 60.7617 31.9658 178.6534 46 E 3.8950 8.1716 117.8848 58.9856 29.6588 178.3336 47 E 4.2587 8.8486 118.8874 58.5387 29.8663 178.2812 48 C 4.2608 8.1297 116.1308 64.0889 28.3465 175.5845 49 R 2.0000 7.7242 120.2569 57.9671 29.1492 177.9356 50 D 4.1948 7.4988 117.2921 57.6908 41.2465 178.1165 51 H 3.9713 8.6067 118.9406 59.8760 29.7146 176.4022 52 Y 3.9562 7.7430 120.3546 60.1755 38.5484 176.8637 53 L 4.4210 8.0691 119.0803 55.9027 41.6582 178.2277 54 K 4.3545 8.0860 117.9248 57.7328 34.0104 178.0816 55 T 4.0464 7.6595 116.0348 66.4085 68.8339 176.2181 56 Y 3.8727 7.8664 117.4952 60.9007 38.0658 177.2563 57 I 3.8127 7.6676 120.6440 64.4025 37.9872 175.9809 58 E 4.1088 8.0807 125.4197 56.4886 29.3823 176.5471 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 G 8.34 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 2 S 8.44 4.36 0.00 4.01 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 3 S 8.47 4.06 0.00 3.86 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 4 G 8.02 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 5 S 7.69 4.28 0.00 3.80 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 6 S 8.63 4.62 0.00 3.86 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 7 G 7.90 3.78 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 0.00 0.00 0.00 8 F 7.21 4.58 0.00 3.18 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 9 D 8.37 4.87 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.68 4.65 0.00 2.01 1.99 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 2.33 2.37 0.00 11 N 7.86 4.99 0.00 2.70 2.68 0.00 0.00 7.34 8.01 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 12 W 9.11 4.46 0.00 3.45 3.30 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 13 G 8.73 4.76 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 0.00 0.00 0.00 14 A 8.83 4.21 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 15 D 8.29 4.48 0.00 2.72 2.65 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 16 E 8.12 4.23 0.00 2.06 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 2.88 1.71 0.00 17 E 9.10 4.53 0.00 2.29 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 0.00 2.58 2.87 0.00 18 L 8.24 4.00 0.00 1.83 2.08 1.00 0.64 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 19 L 8.29 4.27 0.00 1.94 1.95 0.99 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.89 4.19 0.00 2.32 1.95 1.26 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.72 3.83 2.14 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.16 1.02 0.00 0.00 22 D 8.49 4.38 0.00 2.99 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 3.42 1.12 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 0.00 0.00 24 C 8.05 3.50 0.00 2.93 2.65 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 25 E 7.89 4.14 0.00 1.89 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 2.25 2.46 0.00 26 T 7.81 4.04 4.02 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 1.05 0.00 0.00 27 L 7.08 3.88 0.00 1.50 1.58 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.82 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 0.00 0.00 0.00 0.00 29 L 8.23 3.01 0.00 1.24 0.92 0.40 -0.55 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 30 G 7.72 3.76 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 0.00 0.00 0.00 31 N 7.40 4.80 0.00 2.72 2.59 0.00 0.00 7.11 7.84 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 32 W 8.64 4.12 0.00 3.44 3.25 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 0.00 33 A 8.33 4.11 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.37 0.00 2.67 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 35 I 7.83 3.75 2.18 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.48 1.09 0.00 0.00 36 A 8.73 4.13 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.67 4.33 0.00 2.81 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 38 Y 7.80 4.20 0.00 3.16 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 39 V 8.64 4.00 2.36 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 1.25 0.00 0.00 1.34 0.00 0.00 40 G 9.53 3.74 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 0.00 0.00 0.00 41 N 9.76 4.09 0.00 2.58 2.71 0.00 0.00 6.72 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 42 A 8.11 3.64 1.25 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 0.00 0.00 0.00 43 R 7.03 4.73 0.00 1.92 1.96 0.00 3.06 0.00 0.00 2.92 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 0.00 44 T 8.24 4.40 4.27 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 1.25 0.00 0.00 45 K 8.84 4.04 0.00 2.18 2.24 0.00 1.63 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.61 7.81 46 E 8.17 3.89 0.00 1.96 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 2.30 2.41 0.00 47 E 8.85 4.26 0.00 2.24 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 0.00 2.33 2.53 0.00 48 C 8.13 4.26 0.00 3.27 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.72 2.00 0.00 0.67 1.20 0.00 2.32 0.00 0.00 2.71 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 50 D 7.50 4.19 0.00 2.64 2.66 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 0.00 0.00 0.00 0.00 51 H 8.61 3.97 0.00 3.30 3.44 0.00 5.77 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 52 Y 7.74 3.96 0.00 3.11 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 53 L 8.07 4.42 0.00 1.87 1.73 0.86 0.72 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 54 K 8.09 4.35 0.00 1.84 1.95 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.37 7.81 55 T 7.66 4.05 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 0.85 0.00 0.00 56 Y 7.87 3.87 0.00 2.67 2.77 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 0.00 0.00 0.00 57 I 7.67 3.81 2.19 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.85 0.95 0.00 0.00 58 E 8.08 4.11 0.00 2.00 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 2.32 2.39 0.00