NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 5.0499 8.1200 121.1853 56.5853 34.4893 177.6562 3 L 3.8382 7.7997 120.1652 56.2688 42.0189 177.3727 4 S 4.1986 8.8074 115.1391 61.2149 63.5629 175.6598 5 E 3.9311 8.1422 121.8164 59.2401 29.2497 178.9428 6 V 3.5295 7.8246 118.1228 66.1262 31.5762 177.9077 7 R 3.9069 7.9186 117.6106 59.3860 29.9412 178.8298 8 K 4.0437 8.0404 118.8002 59.7908 32.2920 178.5377 9 Q 3.9800 8.4421 118.7345 59.1960 28.6186 179.5204 10 L 3.9335 8.1393 119.5397 57.8695 41.5324 178.9908 11 E 3.9281 7.7713 117.1261 60.2166 29.6809 179.1862 12 E 4.0049 8.5483 118.2409 59.0253 29.2701 178.8740 13 A 3.9679 7.8382 120.8362 55.7990 18.6731 179.6135 14 R 4.0277 8.3115 115.5221 57.7911 31.4389 177.2672 15 K 4.6755 7.9243 116.9729 55.3429 31.9636 175.4240 16 L 4.4508 7.4576 119.2004 54.0929 44.8568 173.6183 17 S 4.1985 8.1971 117.1787 58.4680 62.4717 166.8859 18 P 4.0828 0.0000 0.0000 65.7615 31.1746 177.9917 19 V 3.5577 7.8921 116.2183 66.6554 31.3846 178.0986 20 E 4.0396 7.9400 117.3347 59.0730 29.2465 179.3533 21 L 3.9913 8.3494 119.6343 57.9190 41.6129 179.0181 22 E 3.9225 8.8018 118.6923 59.4490 29.4397 179.2712 23 K 3.8192 8.0553 118.0673 59.8377 32.2418 178.9788 24 L 3.9353 8.0821 120.1774 58.0316 41.9305 179.1948 25 V 3.5072 7.8162 118.0824 66.1075 31.3481 177.8896 26 R 3.9210 7.9577 116.8972 59.6133 30.2531 178.5128 27 E 4.0803 8.1867 117.7584 59.5524 29.4848 179.4562 28 K 3.9242 8.6060 118.6797 59.4781 32.0502 179.6198 29 K 4.1029 8.8945 119.8133 59.4032 31.9700 179.5687 30 R 4.0071 8.0211 116.3925 59.3341 29.2849 178.7385 31 E 3.9526 8.1606 118.8372 58.8507 29.3659 178.8715 32 L 3.9113 7.4953 119.2435 58.4334 42.2931 178.3239 33 M 4.0645 8.1164 118.1337 59.1525 32.1017 177.2530 34 E 3.9333 8.5299 119.2602 59.6952 29.6812 178.6316 35 L 4.0271 8.2685 118.4162 58.0051 41.8245 179.9199 36 R 3.9091 8.3758 118.1219 59.5378 29.8707 179.0689 37 F 4.0909 8.3070 115.8692 60.5508 39.1239 177.6961 38 Q 4.1625 8.2687 117.2662 59.0752 28.4460 178.4743 39 A 4.1514 8.5065 120.9140 55.0763 18.4805 179.4592 40 S 4.3358 8.5114 112.2342 59.8990 63.9534 175.0037 41 I 4.3817 7.8430 116.2441 60.6518 37.5057 179.5462 42 G 3.4474 8.5445 113.0154 46.4594 0.0000 172.0044 43 Q 3.6495 5.7788 117.0417 56.3528 30.0083 173.6157 44 L 3.5641 8.7550 130.5246 52.9638 41.8606 172.4515 45 S 4.6881 7.8495 119.7529 57.9121 63.2637 175.4251 46 Q 4.5132 7.9660 130.6206 58.9055 28.9471 181.1947 47 N 3.6844 7.8012 112.5465 53.5840 41.1310 176.3580 48 H 4.0364 8.1174 117.3736 59.4466 28.9110 177.3742 49 K 3.6607 7.9296 120.2773 60.0292 31.7211 178.3946 50 I 3.7757 8.4933 120.3300 63.3166 36.8973 178.1228 51 R 3.8292 7.8127 118.6298 59.9621 30.0261 177.8163 52 D 4.4003 8.4925 118.6997 57.6707 40.8658 178.9608 53 L 3.9233 7.7981 120.0554 58.0840 42.0408 178.9993 54 K 3.9058 8.3174 118.5734 59.8690 32.1031 179.5947 55 R 3.9812 8.2773 118.1196 59.1483 29.8048 179.3282 56 Q 3.9893 8.2963 118.4667 58.8455 28.6321 178.4914 57 I 3.6540 8.0688 120.9392 64.4875 37.2184 178.1315 58 A 3.9828 8.0839 121.3942 55.3208 18.0189 180.0257 59 R 3.8463 7.9336 116.2867 59.4306 30.1863 179.1461 60 L 3.9808 8.0612 118.8587 57.9931 41.3063 179.7155 61 L 3.9616 8.2150 118.9495 58.0378 41.5145 179.8129 62 T 3.9304 7.9272 115.9151 66.5228 67.9174 177.1137 63 V 3.6207 8.0995 120.6484 65.7531 31.3151 177.7770 64 L 3.9897 8.2673 119.8279 58.0076 41.8867 178.6132 65 N 4.5176 7.8136 116.4548 56.0833 38.4995 177.1541 66 E 4.0346 7.8915 117.0453 58.6561 29.6006 179.0704 67 K 4.1829 7.6886 119.4308 59.0723 32.4408 181.0829 68 R 4.5081 7.5360 118.2579 56.2496 28.9236 177.8038 69 R 4.6615 8.9354 118.1340 56.1557 32.6576 176.6762 70 Q 4.5836 8.0504 111.0308 56.1258 33.1059 174.7368 71 N 4.8803 7.6766 115.8680 51.1524 37.6045 174.4039 72 A 4.0767 7.6875 125.4197 54.2122 19.1692 176.7355 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 2 K 8.12 5.05 0.00 1.86 1.88 0.00 1.64 0.00 0.00 1.99 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.47 7.81 3 L 7.80 3.84 0.00 1.83 1.64 0.92 0.62 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 4 S 8.81 4.20 0.00 4.09 4.10 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 5 E 8.14 3.93 0.00 2.24 2.05 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 2.40 2.37 0.00 6 V 7.82 3.53 2.32 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 1.03 0.00 0.00 1.05 0.00 0.00 7 R 7.92 3.91 0.00 2.07 2.01 0.00 3.18 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.99 0.00 8 K 8.04 4.04 0.00 1.84 1.80 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.66 7.81 9 Q 8.44 3.98 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 10 L 8.14 3.93 0.00 1.87 1.71 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.77 3.93 0.00 2.12 2.05 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 2.36 2.58 0.00 12 E 8.55 4.00 0.00 2.14 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 2.33 2.33 0.00 13 A 7.84 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.31 4.03 0.00 1.94 2.03 0.00 3.11 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 15 K 7.92 4.68 0.00 1.80 1.80 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.33 7.81 16 L 7.46 4.45 0.00 1.82 1.61 0.92 1.05 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 17 S 8.20 4.20 0.00 4.04 4.15 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 18 P 0.00 4.08 0.00 2.20 2.08 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 19 V 7.89 3.56 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 1.07 0.00 0.00 0.93 0.00 0.00 20 E 7.94 4.04 0.00 2.41 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 2.33 2.35 0.00 21 L 8.35 3.99 0.00 1.73 1.71 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.80 3.92 0.00 2.11 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 2.56 0.00 23 K 8.06 3.82 0.00 1.97 1.90 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.68 7.81 24 L 8.08 3.94 0.00 1.86 1.92 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.82 3.51 2.18 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 0.98 0.00 0.00 0.97 0.00 0.00 26 R 7.96 3.92 0.00 1.96 2.03 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 27 E 8.19 4.08 0.00 2.15 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 2.30 2.54 0.00 28 K 8.61 3.92 0.00 1.94 1.89 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.65 7.81 29 K 8.89 4.10 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.68 1.59 7.81 30 R 8.02 4.01 0.00 2.06 2.20 0.00 2.77 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 31 E 8.16 3.95 0.00 2.21 2.05 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 2.40 2.37 0.00 32 L 7.50 3.91 0.00 1.93 1.83 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.12 4.06 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 3.07 0.00 34 E 8.53 3.93 0.00 2.32 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 2.31 2.41 0.00 35 L 8.27 4.03 0.00 1.89 1.74 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.38 3.91 0.00 2.06 1.86 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 37 F 8.31 4.09 0.00 3.15 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 38 Q 8.27 4.16 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 39 A 8.51 4.15 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 40 S 8.51 4.34 0.00 3.88 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 41 I 7.84 4.38 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.95 0.94 0.00 0.00 42 G 8.54 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 5.78 3.65 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 5.80 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 44 L 8.75 3.56 0.00 1.82 1.84 0.99 0.94 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 45 S 7.85 4.69 0.00 4.08 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 46 Q 7.97 4.51 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.40 5.97 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 47 N 7.80 3.68 0.00 2.86 2.90 0.00 0.00 6.68 8.16 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 48 H 8.12 4.04 0.00 3.37 3.60 0.00 5.30 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.93 3.66 0.00 1.72 1.87 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.47 7.81 50 I 8.49 3.78 2.03 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 1.41 0.72 0.91 0.00 0.00 51 R 7.81 3.83 0.00 1.88 2.09 0.00 3.22 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 52 D 8.49 4.40 0.00 2.92 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 53 L 7.80 3.92 0.00 2.02 1.71 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.32 3.91 0.00 2.03 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.64 7.81 55 R 8.28 3.98 0.00 1.98 1.98 0.00 3.13 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 56 Q 8.30 3.99 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 57 I 8.07 3.65 2.00 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 1.80 0.94 0.91 0.00 0.00 58 A 8.08 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.93 3.85 0.00 2.12 1.98 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 60 L 8.06 3.98 0.00 1.68 1.72 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.21 3.96 0.00 1.85 1.72 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.93 3.93 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 1.21 0.00 0.00 63 V 8.10 3.62 2.23 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 0.99 0.00 0.00 1.03 0.00 0.00 64 L 8.27 3.99 0.00 1.86 1.82 0.92 1.28 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 65 N 7.81 4.52 0.00 3.01 2.84 0.00 0.00 6.65 7.33 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 66 E 7.89 4.03 0.00 2.15 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 0.00 2.49 2.46 0.00 67 K 7.69 4.18 0.00 1.99 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.62 7.81 68 R 7.54 4.51 0.00 1.78 1.96 0.00 3.26 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.75 0.00 69 R 8.94 4.66 0.00 1.65 1.92 0.00 3.15 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 70 Q 8.05 4.58 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.52 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 71 N 7.68 4.88 0.00 2.83 2.90 0.00 0.00 5.85 7.26 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 72 A 7.69 4.08 1.22 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 0.00 0.00 0.00