NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5146 8.3644 120.1915 53.9887 42.3927 174.2787 2 V 3.8781 8.1971 125.6616 61.6785 32.4211 175.5214 3 S 4.3804 8.6630 125.4205 57.8454 62.4697 175.2523 4 G 3.8589 7.9952 111.6329 45.3368 0.0000 170.4633 5 T 4.4626 8.2796 117.0411 62.0054 71.4356 173.3789 6 V 4.2705 8.1990 126.5080 59.6645 33.3323 175.8172 7 C 4.2124 8.4896 121.5177 59.5781 29.0176 174.4361 8 L 3.9722 8.7221 125.9147 58.1817 41.8338 179.2522 9 S 4.1475 8.0741 111.5026 60.6061 63.0121 174.5986 10 A 4.2932 7.8261 122.2090 52.5373 18.8683 177.1316 11 L 4.5156 7.3523 115.5753 52.3194 43.3881 174.9152 12 P 4.4280 0.0000 0.0000 62.0516 31.9992 176.1680 13 P 4.3198 0.0000 0.0000 66.0662 31.0014 178.5863 14 E 4.2126 8.2876 117.6281 59.0518 29.2979 178.8253 15 A 4.0573 8.1541 121.5346 55.2037 18.4012 179.7243 16 T 3.8472 7.8372 108.0304 64.9293 68.7982 176.4550 17 D 4.3592 8.0990 121.2348 57.4854 40.4913 178.7336 18 T 3.9181 7.8936 115.9843 66.7723 68.5681 176.5326 19 L 3.9478 7.8999 120.7500 57.9698 41.2861 179.4367 20 N 4.3262 8.2202 116.2571 56.3849 38.4533 177.5344 21 L 4.0430 7.8464 121.6747 56.9633 41.5292 179.4387 22 I 3.6753 7.9827 119.8422 64.4635 36.7899 178.2976 23 A 4.0121 7.6925 120.0375 54.3742 18.3897 178.7828 24 S 4.3961 7.6900 109.3354 57.1397 63.8329 173.5728 25 D 4.1956 8.9992 121.0659 55.6092 40.0438 172.5687 26 G 2.8095 7.3212 104.7247 42.8173 0.0000 171.7480 27 P 4.1968 0.0000 0.0000 62.6839 31.9333 175.5126 28 F 5.0162 8.2440 118.7945 55.3530 40.8399 174.5912 29 P 4.3699 0.0000 0.0000 64.6067 32.0111 175.9883 30 Y 4.8572 8.0096 116.5611 55.5824 41.1303 176.6074 31 S 4.2076 8.9875 117.6276 61.7119 63.1799 175.6386 32 Q 4.1266 8.0735 118.1701 57.0042 28.9019 175.4125 33 D 4.2199 7.7407 119.6578 55.4229 40.9510 176.7994 34 G 3.5540 7.5804 113.4352 44.7292 0.0000 173.9335 35 V 3.8832 7.0075 113.2263 60.6742 33.0186 175.8737 36 V 3.8562 8.2041 122.9436 63.2021 32.0588 174.8829 37 F 4.7373 8.5361 130.6785 57.1530 39.4428 175.9244 38 Q 3.9681 8.3873 125.4051 56.7412 29.3424 175.3686 39 N 3.6338 6.0381 115.3498 54.1355 37.2935 175.6951 40 R 3.9081 7.6571 117.3379 58.7103 29.1961 176.4230 41 E 4.2137 8.1150 115.5444 56.0837 29.8440 176.6738 42 S 3.9453 7.8561 113.7730 59.4577 61.1608 174.1077 43 V 3.7011 7.3435 120.8488 65.7432 31.4507 176.5727 44 L 4.4308 7.6495 117.8109 52.7535 42.5344 174.8493 45 P 4.3422 0.0000 0.0000 63.0217 31.7802 176.8069 46 T 4.0267 8.3641 119.0658 64.0400 68.8060 173.6187 47 Q 4.3369 8.2044 123.4393 53.8224 33.2687 174.2061 48 S 4.2354 8.2966 113.1070 58.3428 62.8535 172.5654 49 Y 4.2151 8.4036 125.8736 59.0953 38.7007 176.1517 50 G 3.7913 8.3105 115.6587 45.2992 0.0000 173.6233 51 Y 3.9280 7.7205 120.5259 59.8984 39.1463 175.4566 52 Y 5.1056 7.7748 116.5074 56.6429 40.5895 174.7920 53 H 5.4835 9.0083 119.2048 53.9421 33.0347 172.3905 54 E 4.6911 8.4359 118.5765 54.9157 32.3350 174.7494 55 Y 4.8746 8.0572 117.9531 56.5206 42.1134 175.1886 56 T 3.9629 8.9667 121.4305 63.4255 69.1370 174.3863 57 V 4.2886 7.9950 124.9679 60.1496 32.1899 175.6364 58 I 3.8344 8.4001 128.6407 61.9173 37.7405 175.5997 59 T 4.4463 8.3190 121.0274 61.0133 69.4562 172.5308 60 P 4.3387 0.0000 0.0000 64.5080 31.6373 176.9348 61 G 3.8056 9.1348 110.9798 45.0974 0.0000 172.8301 62 A 4.4979 7.8641 122.7658 50.8154 19.0753 177.2863 63 R 4.3832 8.4845 120.0474 57.1735 30.4193 176.8302 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 8.36 4.51 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.20 3.88 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 0.84 0.00 0.00 0.94 0.00 0.00 3 S 8.66 4.38 0.00 3.89 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 8.00 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 T 8.28 4.46 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 1.22 0.00 0.00 6 V 8.20 4.27 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 0.74 0.00 0.00 0.93 0.00 0.00 7 C 8.49 4.21 0.00 3.01 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 8 L 8.72 3.97 0.00 1.71 1.67 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.07 4.15 0.00 4.01 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 10 A 7.83 4.29 1.30 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 0.00 0.00 11 L 7.35 4.52 0.00 1.82 1.61 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.43 0.00 2.18 1.98 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 13 P 0.00 4.32 0.00 2.26 2.32 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 14 E 8.29 4.21 0.00 2.10 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 0.00 2.53 2.46 0.00 15 A 8.15 4.06 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 16 T 7.84 3.85 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 1.21 0.00 0.00 17 D 8.10 4.36 0.00 2.91 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 3.92 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 19 L 7.90 3.95 0.00 1.82 1.69 0.91 0.69 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 20 N 8.22 4.33 0.00 2.91 2.83 0.00 0.00 7.05 6.25 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 21 L 7.85 4.04 0.00 1.91 1.41 1.01 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.98 3.68 1.81 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.82 0.69 0.00 0.00 23 A 7.69 4.01 1.32 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 24 S 7.69 4.40 0.00 4.02 4.03 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 0.00 0.00 0.00 0.00 25 D 9.00 4.20 0.00 2.77 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 26 G 7.32 2.81 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 0.00 0.00 0.00 27 P 0.00 4.20 0.00 2.12 1.99 0.00 3.60 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 28 F 8.24 5.02 0.00 3.14 3.26 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 0.00 0.00 0.00 0.00 29 P 0.00 4.37 0.00 1.94 2.14 0.00 4.15 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.13 0.00 30 Y 8.01 4.86 0.00 3.29 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 31 S 8.99 4.21 0.00 4.02 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 32 Q 8.07 4.13 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 7.13 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 33 D 7.74 4.22 0.00 2.69 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 0.00 0.00 0.00 34 G 7.58 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.01 3.88 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 0.64 0.00 0.00 0.91 0.00 0.00 36 V 8.20 3.86 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.69 0.00 0.00 37 F 8.54 4.74 0.00 2.96 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 3.97 0.00 1.85 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.53 2.32 0.00 39 N 6.04 3.63 0.00 2.74 2.75 0.00 0.00 6.87 7.65 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 40 R 7.66 3.91 0.00 1.70 1.85 0.00 3.24 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 41 E 8.11 4.21 0.00 2.08 1.95 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 2.37 2.31 0.00 42 S 7.86 3.95 0.00 4.04 3.94 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 43 V 7.34 3.70 2.11 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 0.78 0.00 0.00 0.95 0.00 0.00 44 L 7.65 4.43 0.00 1.53 1.44 0.40 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.34 0.00 2.09 2.02 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 46 T 8.36 4.03 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 1.21 0.00 0.00 47 Q 8.20 4.34 0.00 1.40 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.03 1.16 0.00 48 S 8.30 4.24 0.00 3.88 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 49 Y 8.40 4.22 0.00 2.96 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 50 G 8.31 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.72 3.93 0.00 2.83 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 52 Y 7.77 5.11 0.00 3.27 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.01 5.48 0.00 3.09 2.97 0.00 5.65 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.44 4.69 0.00 1.87 1.92 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 2.27 2.05 0.00 55 Y 8.06 4.87 0.00 2.88 2.81 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 56 T 8.97 3.96 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 57 V 7.99 4.29 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 1.05 0.00 0.00 0.95 0.00 0.00 58 I 8.40 3.83 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.82 0.98 0.00 0.00 59 T 8.32 4.45 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 1.22 0.00 0.00 60 P 0.00 4.34 0.00 2.05 2.04 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 61 G 9.13 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 0.00 0.00 0.00 62 A 7.86 4.50 1.31 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 0.00 0.00 63 R 8.48 4.38 0.00 1.85 1.90 0.00 3.44 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00