NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3985 8.3049 120.3256 55.3107 34.1176 175.7928 2 D 4.4790 7.7643 117.1690 52.7242 41.8462 172.2810 3 E 4.3457 8.6264 120.2252 55.8648 30.6578 176.5427 4 T 4.6899 8.2712 113.1601 59.5947 72.1925 174.1919 5 G 4.2022 8.2088 113.0996 46.2018 0.0000 172.8790 6 K 4.2741 8.9929 124.6755 56.9514 32.1566 177.3292 7 E 4.0895 7.7679 119.1785 56.5063 30.6143 175.4374 8 L 5.3645 8.4908 124.9135 53.1473 46.0967 175.6236 9 V 5.0667 8.8693 113.9683 59.5949 36.6433 174.1413 10 L 5.1984 8.6947 123.4075 53.0570 45.0854 175.3093 11 A 4.3312 8.8395 128.8642 52.0911 18.6564 178.1720 12 L 3.8322 8.5346 123.8511 57.0459 42.2193 176.9656 13 Y 5.0314 7.2906 113.6765 55.8706 42.1447 175.0787 14 D 4.7658 8.7749 120.9713 55.0675 42.1699 176.0718 15 Y 4.6113 9.1164 123.8974 56.9788 41.7752 173.3410 16 Q 4.7256 8.2518 126.9083 54.1978 29.9884 175.8498 17 E 4.0082 8.6576 122.7701 57.0547 29.7832 177.3257 18 K 4.4834 8.9008 120.8209 55.8725 33.4413 175.7066 19 S 4.6027 7.4881 112.1625 56.8441 65.0098 174.5736 20 P 4.2839 0.0000 0.0000 65.6126 31.2984 178.1177 21 R 4.1659 8.0478 113.2508 57.6090 29.7797 176.0963 22 E 5.4386 8.3195 118.4068 54.5034 31.4123 175.0051 23 V 4.7104 7.9984 117.7924 60.6273 34.6406 174.9702 24 T 4.7703 8.6054 118.8228 63.3192 69.5827 174.0482 25 M 5.0856 9.4647 125.3994 53.5524 35.8307 174.7253 26 K 4.9790 9.2406 121.4388 54.0014 35.1395 175.8691 27 K 3.9324 9.1819 125.2365 58.6587 32.3076 176.8708 28 G 3.9985 9.0437 115.2281 44.9144 0.0000 173.3595 29 D 4.5204 8.1363 120.3289 54.6349 42.1855 175.5184 30 I 4.7691 8.3055 122.9112 59.9390 38.6090 174.8926 31 L 4.9544 8.7353 127.7696 52.9243 44.8774 176.2067 32 T 4.3950 8.8416 120.7717 63.4473 69.6527 173.3372 33 L 4.5348 8.8140 129.9506 54.3494 41.9378 175.6743 34 L 4.6101 8.8886 127.2082 55.3305 43.9354 176.4630 35 N 5.0345 7.7968 117.6948 51.5920 42.0205 174.6562 36 S 4.4720 8.3089 120.6746 57.8438 63.7119 175.2586 37 T 3.9647 8.2809 114.1891 65.0441 68.6172 174.2673 38 N 4.8058 8.1315 119.8845 52.5097 39.7926 174.8715 39 K 4.4569 8.7816 123.6673 58.8866 33.6294 177.1344 40 D 4.3585 8.9486 119.2352 53.8844 43.5841 176.1151 41 W 5.3027 8.4411 117.1522 54.6915 31.9605 174.9326 42 W 5.3661 9.2878 125.3750 54.7565 31.7529 175.0773 43 K 4.1616 8.9589 126.2002 55.8622 32.8025 176.0532 44 V 5.0713 8.7830 120.0709 59.8037 36.8818 174.0249 45 E 5.2882 9.0166 121.8323 54.8718 33.5129 174.2592 46 V 4.5905 8.7248 125.9101 60.3057 34.7212 175.1308 47 N 4.2613 9.7554 124.6161 54.7321 37.1543 174.3463 48 D 5.3209 8.1312 112.9573 54.6808 39.4522 174.3457 49 R 4.3930 7.8710 120.0566 55.3119 31.2476 175.1264 50 Q 4.9814 8.3301 125.5194 54.2309 31.5455 174.5495 51 G 4.0343 8.2749 111.5169 46.1356 0.0000 171.6139 52 F 5.2497 8.9858 119.2579 56.9112 40.3499 176.1165 53 V 4.8724 9.0179 115.9242 58.4862 36.3171 173.4931 54 P 3.7021 0.0000 0.0000 62.1898 31.4543 177.7840 55 A 3.0862 8.1932 127.4206 54.6797 18.1533 179.2896 56 G 3.5869 7.2526 102.5079 47.5334 0.0000 173.2995 57 Y 5.0865 7.6796 117.2226 58.1341 39.0559 175.4127 58 V 5.0309 7.5649 112.1223 59.2388 36.2087 174.8008 59 K 4.6520 8.7042 121.3721 54.9097 34.9542 175.3244 60 K 4.4503 8.8491 125.8365 56.2212 33.1613 176.3061 61 L 4.5113 8.7322 128.6359 53.9845 41.7198 176.7788 62 D 4.2410 8.2787 122.8026 53.5448 39.3063 175.3366 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 M 8.30 4.40 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 2 D 7.76 4.48 0.00 2.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 4.35 0.00 1.94 1.90 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 2.44 2.25 0.00 4 T 8.27 4.69 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 1.18 0.00 0.00 5 G 8.21 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 0.00 0.00 0.00 0.00 6 K 8.99 4.27 0.00 1.89 1.95 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.39 7.81 7 E 7.77 4.09 0.00 2.02 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 2.25 2.26 0.00 8 L 8.49 5.36 0.00 1.58 1.49 0.91 0.97 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 9 V 8.87 5.07 2.30 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 0.91 0.00 0.00 1.04 0.00 0.00 10 L 8.69 5.20 0.00 1.68 1.45 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.84 4.33 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.53 3.83 0.00 0.33 0.54 0.70 0.62 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 13 Y 7.29 5.03 0.00 2.58 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.77 4.77 0.00 2.60 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 15 Y 9.12 4.61 0.00 3.23 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 16 Q 8.25 4.73 0.00 1.84 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 17 E 8.66 4.01 0.00 2.04 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 2.31 2.33 0.00 18 K 8.90 4.48 0.00 1.88 1.85 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.28 7.81 19 S 7.49 4.60 0.00 3.93 3.90 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 20 P 0.00 4.28 0.00 2.08 2.19 0.00 3.68 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 2.04 2.10 0.00 21 R 8.05 4.17 0.00 2.14 2.21 0.00 2.66 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 22 E 8.32 5.44 0.00 2.26 2.25 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 2.67 2.33 0.00 23 V 8.00 4.71 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 0.85 0.00 0.00 1.04 0.00 0.00 24 T 8.61 4.77 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 25 M 9.46 5.09 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 26 K 9.24 4.98 0.00 1.89 1.71 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.38 7.81 27 K 9.18 3.93 0.00 1.79 1.78 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.59 7.81 28 G 9.04 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 0.00 0.00 0.00 0.00 29 D 8.14 4.52 0.00 2.70 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 30 I 8.31 4.77 1.88 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 1.35 0.82 0.91 0.00 0.00 31 L 8.74 4.95 0.00 1.64 1.56 1.00 0.85 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 32 T 8.84 4.39 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 1.18 0.00 0.00 33 L 8.81 4.53 0.00 1.49 1.45 0.66 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.89 4.61 0.00 1.62 1.60 0.85 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.80 5.03 0.00 2.81 2.62 0.00 0.00 6.70 7.63 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 36 S 8.31 4.47 0.00 2.72 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 37 T 8.28 3.96 4.29 0.00 0.00 0.00 0.00 0.00 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 38 N 8.13 4.81 0.00 2.91 3.31 0.00 0.00 7.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.78 4.46 0.00 1.95 2.01 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.41 7.81 40 D 8.95 4.36 0.00 2.51 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 0.00 0.00 0.00 41 W 8.44 5.30 0.00 3.19 3.23 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 42 W 9.29 5.37 0.00 3.24 2.95 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 43 K 8.96 4.16 0.00 1.11 1.53 0.00 1.29 0.00 0.00 1.60 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.11 0.64 7.81 44 V 8.78 5.07 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 0.79 0.00 0.00 1.06 0.00 0.00 45 E 9.02 5.29 0.00 1.97 1.70 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 2.19 2.34 0.00 46 V 8.72 4.59 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 0.74 0.00 0.00 0.95 0.00 0.00 47 N 9.76 4.26 0.00 2.82 2.88 0.00 0.00 7.28 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 48 D 8.13 5.32 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.87 4.39 0.00 1.99 1.89 0.00 3.11 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 50 Q 8.33 4.98 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.94 0.00 0.00 0.00 0.00 0.00 2.14 2.36 0.00 51 G 8.27 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 0.00 0.00 0.00 52 F 8.99 5.25 0.00 3.15 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 53 V 9.02 4.87 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 0.86 0.00 0.00 1.03 0.00 0.00 54 P 0.00 3.70 0.00 0.81 0.83 0.00 2.67 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.64 0.00 55 A 8.19 3.09 -0.42 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 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.25 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.68 5.09 0.00 2.89 2.95 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 58 V 7.56 5.03 2.22 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 0.74 0.00 0.00 1.07 0.00 0.00 59 K 8.70 4.65 0.00 1.79 1.86 0.00 1.29 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.34 7.81 60 K 8.85 4.45 0.00 2.14 1.89 0.00 1.64 0.00 0.00 1.19 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.42 7.81 61 L 8.73 4.51 0.00 1.56 1.63 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.28 4.24 0.00 2.70 2.55 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