NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9295 8.3393 109.7362 45.8159 0.0000 172.7214 2 S 4.4091 8.0141 114.2962 56.0678 65.0581 173.1174 3 S 4.7223 8.5178 114.2551 56.9582 66.9171 175.1848 4 G 4.2776 8.2745 110.1972 44.3419 0.0000 171.4865 5 S 4.6316 8.4564 113.4884 56.8172 65.7256 173.1906 6 S 4.6311 8.3722 118.6168 57.9104 67.2308 173.4834 7 G 4.2695 8.1487 107.9151 45.3673 0.0000 174.7644 8 I 3.7830 7.8263 120.4242 63.4630 38.7453 176.2471 9 H 4.2363 8.2548 117.2335 58.9072 28.4412 176.2292 10 S 4.4402 7.5997 115.6369 57.6570 61.4218 172.2782 11 G 3.1319 8.4833 125.0602 45.0326 0.0000 171.2292 12 E 3.9303 8.1310 121.5737 56.3456 29.7583 176.6515 13 K 4.5670 8.3188 125.1213 53.6762 32.5974 174.7153 14 P 4.1154 0.0000 0.0000 64.2650 32.1247 176.4622 15 Y 4.5770 7.7484 118.0664 56.4602 39.9501 175.0698 16 G 4.4960 8.4820 109.2391 44.8609 0.0000 171.4814 17 C 5.0070 9.1772 122.6172 58.4890 33.0782 174.3927 18 V 4.1673 8.2984 121.0161 62.7468 32.7313 177.1567 19 E 4.0652 8.3272 119.3439 58.7585 29.5199 177.1374 20 C 4.5894 8.3853 109.4425 60.8342 31.7429 174.6691 21 G 4.5597 8.4236 108.2560 44.8827 0.0000 173.3257 22 K 4.0525 8.4325 119.9410 55.6557 33.1848 175.9094 23 A 4.8643 7.9953 126.6779 50.7560 19.0680 176.3665 24 F 4.9502 9.2569 120.2556 55.5337 42.6272 176.5424 25 S 4.4663 9.2860 118.0808 60.3985 62.8868 175.0940 26 R 4.5850 7.3199 117.9829 53.9715 33.6487 177.2100 27 S 3.5038 7.8582 118.2376 61.6056 62.8717 176.9817 28 S 3.9936 7.9302 116.3825 61.8101 62.0654 176.5681 29 I 3.5623 7.3859 121.9205 63.5953 37.2364 177.7218 30 L 3.2199 7.1567 120.2098 57.9086 42.1074 178.8981 31 V 3.5885 7.8650 118.5038 66.4442 29.8011 178.0627 32 Q 3.9907 7.7350 117.3392 58.6016 28.2916 177.3525 33 H 4.1389 7.7623 117.1732 57.2132 30.1676 176.0153 34 Q 4.4183 7.6781 118.0813 57.4018 29.3193 177.1415 35 R 4.2148 7.8050 116.5849 58.3419 30.0987 178.8280 36 V 3.6584 7.2743 112.3220 64.2936 31.2004 177.9673 37 H 4.0841 8.1935 115.1316 58.8557 28.9081 176.1801 38 T 3.8285 7.6133 113.7086 65.2729 67.0809 173.0919 39 G 4.3246 6.6824 103.9794 43.3720 0.0000 172.9740 40 E 4.5131 8.3581 119.0697 56.1799 28.9754 177.6702 41 K 5.3446 7.6417 118.0066 53.8363 31.7749 176.1050 42 P 4.0986 0.0000 0.0000 64.6665 32.3277 176.7243 43 Y 4.5968 7.3917 118.5906 56.7987 38.7331 174.5223 44 K 5.2428 8.6087 125.6324 54.5386 34.8376 175.2671 45 C 4.6282 9.3283 126.5194 59.5067 32.0139 173.0366 46 L 4.7120 8.4407 119.8681 55.1666 43.9974 178.2665 47 E 4.0794 8.5437 118.7672 58.8498 29.9572 176.4787 48 C 4.4000 8.0203 110.1482 60.2037 31.3478 173.7375 49 G 4.0876 8.4434 111.1937 45.1979 0.0000 172.6858 50 K 4.2313 8.5226 123.0243 55.1671 35.3965 173.6748 51 A 5.1407 8.4344 128.6666 51.1571 20.6159 176.4475 52 F 4.8679 9.6456 118.7665 55.5939 43.0382 176.1427 53 S 5.0216 9.2371 117.2965 60.3905 62.4893 174.5028 54 Q 4.7063 7.7859 118.0934 52.9350 32.2654 175.9931 55 N 3.5798 7.4062 117.5931 56.7449 38.7580 177.2484 56 S 4.0490 7.9084 114.9584 61.3665 62.6449 176.4149 57 G 3.6974 7.4862 107.1986 46.9715 0.0000 175.7924 58 L 2.4400 7.1611 122.1467 57.1295 42.0882 178.8581 59 I 3.5347 7.5841 119.9029 64.5230 35.6469 177.9301 60 N 4.4627 7.4569 117.8039 56.4238 38.4648 175.3307 61 H 4.4830 7.4897 116.7048 56.9323 30.3181 175.7431 62 Q 4.3525 8.1458 119.4039 57.9421 29.7110 177.8350 63 R 3.9009 7.7410 117.0898 59.0197 29.3081 178.6593 64 I 3.8381 6.8247 111.2311 64.3144 37.3438 177.7517 65 H 4.3732 7.4061 117.2869 59.0125 28.7762 177.4863 66 T 4.1676 7.9086 113.7331 63.1484 67.2977 173.7422 67 S 4.6788 7.7231 117.0350 57.2374 65.1669 173.1012 68 G 4.0471 7.9007 117.2898 45.3567 0.0000 171.7124 69 P 4.3897 0.0000 0.0000 65.4257 31.7211 176.5847 70 S 4.5908 7.5760 110.2309 55.9682 65.8356 173.2374 71 S 3.9082 8.8612 115.1453 60.2883 62.3791 174.4679 72 G 4.3885 8.8033 114.5310 46.1842 0.0000 172.7147 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 3.93 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 2 S 8.01 4.41 0.00 4.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 4.72 0.00 3.94 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.28 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 0.00 5 S 8.46 4.63 0.00 3.93 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.63 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 7 G 8.15 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 0.00 0.00 0.00 0.00 8 I 7.83 3.78 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 0.75 0.00 0.00 9 H 8.25 4.24 0.00 3.16 3.37 0.00 5.94 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.60 4.44 0.00 4.11 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 11 G 8.48 3.13 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 12 E 8.13 3.93 0.00 1.95 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 2.31 2.31 0.00 13 K 8.32 4.57 0.00 1.79 1.71 0.00 1.65 0.00 0.00 1.95 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.63 7.81 14 P 0.00 4.12 0.00 2.23 2.33 0.00 3.86 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.10 0.00 15 Y 7.75 4.58 0.00 3.16 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 16 G 8.48 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.18 5.01 0.00 3.33 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 18 V 8.30 4.17 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 0.88 0.00 0.00 0.93 0.00 0.00 19 E 8.33 4.07 0.00 1.40 1.50 0.00 0.00 0.00 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 1.99 0.00 20 C 8.39 4.59 0.00 3.09 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 21 G 8.42 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.43 4.05 0.00 1.71 0.98 0.00 1.54 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.47 7.81 23 A 8.00 4.86 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 24 F 9.26 4.95 0.00 3.00 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 25 S 9.29 4.47 0.00 4.01 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 26 R 7.32 4.59 0.00 1.78 1.73 0.00 3.09 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 27 S 7.86 3.50 0.00 3.51 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.93 3.99 0.00 3.96 4.06 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 29 I 7.39 3.56 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.45 0.65 0.00 0.00 30 L 7.16 3.22 0.00 2.05 1.86 1.28 1.24 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 31 V 7.86 3.59 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 0.91 0.00 0.00 0.97 0.00 0.00 32 Q 7.73 3.99 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.51 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 33 H 7.76 4.14 0.00 2.87 3.02 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.68 4.42 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 35 R 7.80 4.21 0.00 2.01 2.16 0.00 2.93 0.00 0.00 3.46 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 36 V 7.27 3.66 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 1.00 0.00 0.00 0.83 0.00 0.00 37 H 8.19 4.08 0.00 3.28 3.44 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.61 3.83 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 1.22 0.00 0.00 39 G 6.68 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 4.51 0.00 2.03 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 2.33 2.26 0.00 41 K 7.64 5.34 0.00 1.78 1.69 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.35 7.81 42 P 0.00 4.10 0.00 1.63 1.95 0.00 3.87 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.73 0.00 43 Y 7.39 4.60 0.00 3.38 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 44 K 8.61 5.24 0.00 1.79 1.72 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.45 7.81 45 C 9.33 4.63 0.00 3.44 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 46 L 8.44 4.71 0.00 1.66 1.67 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.54 4.08 0.00 1.95 1.86 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 2.28 2.27 0.00 48 C 8.02 4.40 0.00 3.09 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 49 G 8.44 4.09 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 0.00 0.00 0.00 50 K 8.52 4.23 0.00 1.79 1.63 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.75 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.36 1.02 7.81 51 A 8.43 5.14 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.65 4.87 0.00 3.05 2.93 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 53 S 9.24 5.02 0.00 4.05 4.08 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 0.00 0.00 0.00 0.00 54 Q 7.79 4.71 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 55 N 7.41 3.58 0.00 1.78 2.16 0.00 0.00 6.74 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.91 4.05 0.00 3.77 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 57 G 7.49 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.16 2.44 0.00 1.30 1.50 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.58 3.53 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.41 0.83 0.00 0.00 60 N 7.46 4.46 0.00 2.88 2.85 0.00 0.00 6.87 7.75 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 61 H 7.49 4.48 0.00 3.15 2.99 0.00 5.98 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.15 4.35 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 63 R 7.74 3.90 0.00 1.98 2.12 0.00 2.93 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.62 0.00 64 I 6.82 3.84 1.80 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 1.12 0.49 0.84 0.00 0.00 65 H 7.41 4.37 0.00 3.19 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.91 4.17 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 1.31 0.00 0.00 67 S 7.72 4.68 0.00 3.90 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 68 G 7.90 4.05 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 0.00 69 P 0.00 4.39 0.00 2.19 2.19 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 70 S 7.58 4.59 0.00 3.94 3.83 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 71 S 8.86 3.91 0.00 3.85 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.80 4.39 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 0.00 0.00 0.00