NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2854 8.1127 119.7050 56.0192 31.5889 173.7372 5 E 4.7442 8.2493 120.1141 53.2534 32.4540 173.7543 6 C 4.2793 9.6615 127.4750 59.2313 32.6460 173.5850 7 D 4.4452 8.5321 126.4230 55.8742 39.6768 175.6873 8 Y 4.4409 7.0035 118.1650 58.8981 41.6545 176.3026 9 C 3.9301 8.0645 114.5971 59.5081 30.6850 175.6715 10 G 4.1452 8.3346 107.3677 44.9190 0.0000 173.6005 11 T 4.3487 7.6627 109.7909 61.3409 70.4606 173.5597 12 D 4.8691 8.5429 122.7773 54.5608 41.6695 175.9910 13 I 4.1818 8.4358 124.9547 60.0104 38.0375 175.5984 14 E 3.9493 8.9305 128.9409 55.3098 29.8478 174.5451 15 P 4.2209 0.0000 0.0000 64.4465 31.5349 175.7371 16 G 3.9124 9.0970 106.9394 46.4887 0.0000 173.2945 17 T 4.4654 7.8984 112.9063 62.8131 72.5800 174.3798 18 G 4.1298 9.1989 108.7481 45.5952 0.0000 172.6474 19 T 4.7807 8.4747 113.8659 61.7579 72.7324 173.1441 20 M 4.9856 8.7557 124.6846 53.9465 33.9884 174.5466 21 F 4.8364 9.4096 129.9898 57.2044 41.3677 174.3302 22 V 4.4356 7.5762 125.9047 61.3823 32.6703 175.2919 23 H 4.1308 8.7540 125.7002 54.6986 29.6616 176.3479 24 K 3.8144 8.8414 122.6649 59.7976 31.8506 177.9800 25 D 4.3802 8.0100 116.1214 54.9833 39.3964 176.4917 26 G 3.8418 7.9281 105.5537 44.8634 0.0000 173.9715 27 A 4.2264 9.3078 123.3329 52.7231 19.6808 176.5872 28 T 5.0075 8.3672 115.0562 62.1160 72.0401 174.2659 29 T 4.6006 9.1544 121.7055 62.1898 72.3085 172.6115 30 H 5.0338 9.7004 125.5165 55.2525 30.3229 174.8393 31 F 5.2562 9.5528 122.3550 55.9441 41.5480 176.2840 32 C 4.4850 9.0635 116.0874 59.5888 30.7815 173.6793 33 S 4.6356 7.5890 114.4968 56.3285 66.4333 175.4048 34 S 4.6897 8.4140 118.5505 60.8137 62.8278 176.1151 35 K 3.7584 8.0517 122.7989 59.6643 31.8054 178.3772 36 C 4.2826 7.7959 115.6723 62.7766 28.2009 175.5472 37 E 2.5400 7.6069 119.6857 59.4446 29.1770 179.5348 38 N 4.2395 8.3767 116.2126 56.2156 38.3780 177.3472 39 N 4.5300 7.9984 117.7348 55.9374 38.6416 177.4440 40 A 4.2709 7.8038 122.3911 55.3593 18.3560 179.4432 41 D 4.5340 7.8078 115.7149 56.8577 40.8962 178.1606 42 L 4.3259 7.3305 116.6206 54.9011 41.9547 177.7039 43 G 3.9905 8.4852 107.8807 45.2991 0.0000 174.0768 44 R 4.3135 7.5045 118.3694 55.5990 31.1233 175.6157 45 E 4.6014 8.4734 119.6479 54.2714 31.2604 177.0320 46 A 3.3978 8.0650 126.4678 55.1540 18.4082 179.8150 47 R 3.7869 7.6458 113.6696 59.1037 30.2196 177.3815 48 N 4.4824 8.0403 113.1545 53.7446 39.0765 174.7563 49 L 4.5075 7.1695 119.8283 52.7652 42.4075 177.4231 50 E 3.9830 8.7865 124.4466 58.6941 29.6671 178.4659 51 W 4.4254 7.8914 114.7266 58.6566 29.0597 176.9047 52 T 3.7416 6.6476 117.3824 62.9532 68.3034 175.1995 53 D 4.3411 8.6782 125.7572 57.8260 41.0069 177.9302 54 T 3.7930 8.0230 115.1915 66.6746 68.6866 175.0724 55 A 3.9860 7.7967 123.0669 55.2850 18.6043 177.5926 56 R 4.0992 7.7508 118.1672 56.5640 30.1047 176.3629 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 4 R 8.11 4.29 0.00 1.88 1.88 0.00 2.99 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 1.54 1.59 0.00 5 E 8.25 4.74 0.00 1.95 1.76 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 2.17 2.38 0.00 6 C 9.66 4.28 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.53 4.45 0.00 2.67 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 8 Y 7.00 4.44 0.00 2.81 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 9 C 8.06 3.93 0.00 3.04 3.35 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 10 G 8.33 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 0.00 0.00 0.00 0.00 11 T 7.66 4.35 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 1.32 0.00 0.00 12 D 8.54 4.87 0.00 2.61 2.66 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 13 I 8.44 4.18 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.60 0.97 0.00 0.00 14 E 8.93 3.95 0.00 1.93 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 2.38 0.00 15 P 0.00 4.22 0.00 2.22 2.08 0.00 3.95 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 2.01 2.00 0.00 16 G 9.10 3.91 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 0.00 0.00 0.00 17 T 7.90 4.47 4.53 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 0.00 0.00 0.00 1.25 0.00 0.00 18 G 9.20 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 0.00 0.00 0.00 19 T 8.47 4.78 4.51 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 0.00 0.00 0.00 1.30 0.00 0.00 20 M 8.76 4.99 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.39 0.00 21 F 9.41 4.84 0.00 3.30 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 22 V 7.58 4.44 1.85 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 0.73 0.00 0.00 0.84 0.00 0.00 23 H 8.75 4.13 0.00 3.30 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.84 3.81 0.00 1.74 1.89 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 25 D 8.01 4.38 0.00 2.82 2.80 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 26 G 7.93 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.31 4.23 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 28 T 8.37 5.01 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 1.17 0.00 0.00 29 T 9.15 4.60 4.47 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 0.00 0.00 0.00 0.67 0.00 0.00 30 H 9.70 5.03 0.00 3.07 3.26 0.00 5.76 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.55 5.26 0.00 2.99 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 32 C 9.06 4.49 0.00 3.16 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 33 S 7.59 4.64 0.00 4.06 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 34 S 8.41 4.69 0.00 3.98 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 35 K 8.05 3.76 0.00 1.75 1.85 0.00 1.38 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.40 1.31 7.81 36 C 7.80 4.28 0.00 3.38 3.20 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 37 E 7.61 2.54 0.00 1.79 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 1.47 2.26 0.00 38 N 8.38 4.24 0.00 2.63 2.78 0.00 0.00 7.13 6.89 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 39 N 8.00 4.53 0.00 3.20 3.16 0.00 0.00 6.81 7.35 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 40 A 7.80 4.27 1.20 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 41 D 7.81 4.53 0.00 2.68 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 42 L 7.33 4.33 0.00 1.95 1.74 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.49 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 0.00 0.00 0.00 44 R 7.50 4.31 0.00 2.12 1.99 0.00 3.27 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 45 E 8.47 4.60 0.00 1.96 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 46 A 8.07 3.40 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.65 3.79 0.00 1.72 1.91 0.00 3.13 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 48 N 8.04 4.48 0.00 2.79 2.84 0.00 0.00 6.96 7.39 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 49 L 7.17 4.51 0.00 1.04 0.98 1.21 0.91 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 50 E 8.79 3.98 0.00 2.03 2.06 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 2.31 2.31 0.00 51 W 7.89 4.43 0.00 3.54 3.20 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 52 T 6.65 3.74 3.97 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 0.94 0.00 0.00 53 D 8.68 4.34 0.00 2.79 2.71 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 54 T 8.02 3.79 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 1.05 0.00 0.00 55 A 7.80 3.99 1.26 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 0.00 0.00 56 R 7.75 4.10 0.00 1.96 1.84 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00