NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5871 8.3493 120.5164 54.4730 42.0916 174.3661 2 I 4.0813 8.0178 117.8525 61.2928 39.4467 174.2686 3 E 3.7279 8.8759 122.3334 58.3446 30.3668 179.1821 4 D 4.5846 8.1686 116.3037 56.0341 41.4500 176.4628 5 F 4.8593 9.2115 118.4172 57.1137 40.9301 174.0986 6 Y 5.1306 8.1165 120.9584 57.9409 39.1370 175.7620 7 T 4.3302 8.9606 118.0617 59.7040 69.0597 174.4389 8 S 3.8883 7.9025 121.7185 59.7648 63.0649 174.7705 9 E 3.9850 7.9379 120.2240 59.6696 29.6029 177.0010 10 T 4.2560 7.4715 110.4526 62.6929 68.6448 175.2081 11 C 4.3587 8.1977 122.9412 55.8270 43.9541 172.1689 12 P 3.9544 0.0000 0.0000 63.8612 31.3941 175.4346 13 Y 4.8585 7.3728 117.5237 56.3024 39.9001 175.7413 14 K 4.7358 8.7697 124.1215 56.8439 33.4222 176.6397 15 N 4.7055 8.4976 117.5583 55.5471 39.9700 173.8346 16 D 4.5785 7.4316 114.7461 52.0402 44.0299 176.1691 17 S 2.7900 7.9554 118.8550 60.9043 62.8073 176.7574 18 Q 4.0151 8.0379 121.1298 58.6391 28.5316 177.6676 19 L 3.9761 7.5519 121.8546 57.8408 42.1750 178.5973 20 A 3.4858 7.7853 120.0814 54.8900 18.5570 179.3235 21 W 4.3266 8.7420 127.0297 60.7281 30.9809 177.8949 22 D 4.5254 8.9703 118.8527 56.9629 39.9086 178.0396 23 T 4.0844 7.3229 116.1442 66.4762 68.6266 175.8072 24 C 4.3324 8.6035 120.7991 59.1114 44.4907 174.7662 25 S 4.2530 7.0350 116.2842 57.5162 61.9065 174.7153 26 G 4.2177 7.1608 105.0204 44.5815 0.0000 172.1185 27 G 4.2679 8.4101 108.4305 45.0475 0.0000 173.1279 28 T 4.9366 7.0635 106.8030 60.1578 73.4173 174.0430 29 G 3.9499 9.3245 114.5265 45.7055 0.0000 175.0659 30 N 5.0888 8.7923 115.6251 51.4994 37.3002 173.3608 31 C 4.4898 7.9896 112.2849 55.1865 43.1911 174.0750 32 G 3.8940 7.7206 108.2863 46.0196 0.0000 172.1538 33 T 4.2670 7.7314 114.1733 64.3650 69.1347 177.4889 34 V 3.6392 7.7812 122.3389 65.9794 31.5083 178.3277 35 C 4.5509 8.2686 118.9510 58.7769 42.3849 174.8044 36 C 4.3147 8.1437 115.1863 61.3254 29.1376 176.6830 37 G 4.6611 7.7608 108.5363 44.8948 0.0000 173.2706 38 Q 4.4416 8.3841 118.8397 57.1994 31.2213 176.3636 39 C 4.6630 7.6884 112.5559 56.2416 40.9111 172.9684 40 F 5.8073 7.6293 115.3839 55.5292 43.5965 173.3915 41 S 5.2025 8.7813 112.7701 57.4009 67.2659 174.3214 42 F 4.2457 9.1528 124.2503 58.0968 39.5727 173.4318 43 P 3.4870 0.0000 0.0000 63.0712 31.4045 178.3516 44 V 3.2513 7.2745 120.9299 66.1604 31.2144 177.6908 45 S 4.3803 8.0485 113.7123 60.5999 61.5224 175.7877 46 Q 4.0380 7.0844 121.9741 58.8774 27.9761 177.9959 47 S 4.2346 8.5265 116.9293 61.3009 62.6878 175.9447 48 C 3.6718 8.1395 119.8974 62.4239 31.5924 175.0230 49 A 4.2746 7.7203 118.9382 53.1495 17.8807 178.8642 50 G 3.7966 7.5564 104.1613 46.8321 0.0000 175.2282 51 M 4.3947 8.9629 120.1251 55.1672 31.9672 175.8002 52 A 4.0228 7.2405 117.6927 52.2331 19.3500 177.2853 53 D 4.2468 7.7906 122.5072 55.6347 39.7860 173.1133 54 S 4.5043 7.7917 113.6428 58.5092 64.2278 174.4653 55 N 4.8504 7.7064 121.4507 53.7352 40.4900 175.7564 56 D 4.4685 7.9786 116.2835 57.2562 41.2809 177.3146 57 C 5.2874 8.0588 115.4180 55.2361 41.4324 172.0130 58 P 4.4728 0.0000 0.0000 62.4332 29.6474 175.3699 59 N 4.7107 7.4823 115.2384 52.2072 40.7580 175.8765 60 A 4.1601 8.3800 121.1651 52.7549 18.4212 177.6280 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 D 8.35 4.59 0.00 2.74 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 2 I 8.02 4.08 1.49 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.00 0.21 0.00 0.00 3 E 8.88 3.73 0.00 1.97 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 2.43 2.40 0.00 4 D 8.17 4.58 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.21 4.86 0.00 3.07 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 6 Y 8.12 5.13 0.00 3.18 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 7 T 8.96 4.33 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 1.30 0.00 0.00 8 S 7.90 3.89 0.00 3.46 3.71 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 0.00 0.00 0.00 0.00 9 E 7.94 3.98 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 10 T 7.47 4.26 4.20 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 1.24 0.00 0.00 11 C 8.20 4.36 0.00 2.87 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 12 P 0.00 3.95 0.00 1.60 1.92 0.00 3.86 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.85 0.00 13 Y 7.37 4.86 0.00 3.21 2.98 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 0.00 0.00 0.00 14 K 8.77 4.74 0.00 1.83 1.85 0.00 1.50 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.29 1.47 7.81 15 N 8.50 4.71 0.00 2.80 2.93 0.00 0.00 7.00 8.51 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 16 D 7.43 4.58 0.00 2.66 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 0.00 0.00 0.00 0.00 17 S 7.96 2.79 0.00 3.97 3.24 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 0.00 18 Q 8.04 4.02 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 19 L 7.55 3.98 0.00 1.68 1.74 0.85 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.79 3.49 1.63 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 0.00 0.00 21 W 8.74 4.33 0.00 3.37 3.22 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 22 D 8.97 4.53 0.00 2.86 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 23 T 7.32 4.08 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 1.36 0.00 0.00 24 C 8.60 4.33 0.00 3.06 3.24 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 0.00 25 S 7.03 4.25 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.16 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 0.00 0.00 0.00 0.00 27 G 8.41 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 28 T 7.06 4.94 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 1.19 0.00 0.00 29 G 9.32 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 0.00 0.00 0.00 30 N 8.79 5.09 0.00 2.82 2.84 0.00 0.00 6.03 7.85 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 31 C 7.99 4.49 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.72 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.73 4.27 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 1.27 0.00 0.00 34 V 7.78 3.64 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 1.13 0.00 0.00 0.95 0.00 0.00 35 C 8.27 4.55 0.00 3.14 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 36 C 8.14 4.31 0.00 3.47 3.31 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 0.00 37 G 7.76 4.66 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 0.00 0.00 0.00 38 Q 8.38 4.44 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.37 6.87 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 39 C 7.69 4.66 0.00 1.88 2.35 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 40 F 7.63 5.81 0.00 3.05 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 41 S 8.78 5.20 0.00 4.03 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 42 F 9.15 4.25 0.00 2.93 2.98 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 0.00 0.00 0.00 43 P 0.00 3.49 0.00 1.89 2.11 0.00 3.08 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 44 V 7.27 3.25 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 0.75 0.00 0.00 -0.06 0.00 0.00 45 S 8.05 4.38 0.00 4.31 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 46 Q 7.08 4.04 0.00 1.26 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 47 S 8.53 4.23 0.00 4.09 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 48 C 8.14 3.67 0.00 3.01 3.08 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 49 A 7.72 4.27 1.36 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 0.00 0.00 50 G 7.56 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 0.00 0.00 0.00 51 M 8.96 4.39 0.00 1.35 2.16 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.40 0.00 52 A 7.24 4.02 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.79 4.25 0.00 2.88 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 4.50 0.00 3.83 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 55 N 7.71 4.85 0.00 2.64 2.78 0.00 0.00 6.98 8.47 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 56 D 7.98 4.47 0.00 2.82 2.73 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 57 C 8.06 5.29 0.00 2.93 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.47 0.00 2.17 2.10 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 59 N 7.48 4.71 0.00 2.72 2.78 0.00 0.00 7.24 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 60 A 8.38 4.16 1.23 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