NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.8623 8.2827 118.1255 53.4938 40.9589 176.2468 4 L 3.7050 7.8628 119.0616 57.9624 42.3580 177.0660 5 N 4.2869 8.3431 116.1289 56.1454 38.8612 176.2260 6 Q 3.9682 8.1938 120.5779 59.5325 28.9100 178.9293 7 I 3.6621 7.6129 120.3025 64.5305 37.1991 178.1154 8 Q 3.9461 8.3600 120.6839 59.0380 28.5988 178.7119 9 K 3.8909 7.9651 120.1449 59.6536 32.3893 178.7477 10 E 3.9320 8.1341 118.7978 59.2713 29.2246 179.7688 11 V 3.5672 8.1574 118.7941 66.1446 31.6786 178.1996 12 S 4.1135 8.0407 114.9619 61.5648 62.5718 176.4757 13 E 3.9204 8.4818 122.1718 59.2882 29.4521 178.7169 14 I 3.6718 8.1475 120.3310 64.3859 37.1647 178.1774 15 L 3.9563 8.0891 121.2563 58.1171 41.4535 179.2193 16 S 4.1101 8.1122 114.2363 61.6787 63.1215 176.1082 17 D 4.3818 8.2850 122.8976 56.9605 40.5146 178.6568 18 Q 3.9793 8.2069 120.1740 58.9637 29.0805 178.0312 19 K 3.9299 8.0460 119.6758 59.6962 32.0722 179.1869 20 S 4.1029 7.8179 112.3745 61.5562 62.2971 175.9839 21 M 4.0685 7.8982 121.2665 58.3505 31.7056 178.9326 22 K 3.9882 8.7136 119.0416 59.8203 32.8420 179.1970 23 A 4.0031 7.9192 121.6200 54.9825 18.2246 179.3676 24 D 4.3082 8.1580 117.5080 57.5497 40.9090 178.9949 25 I 3.6813 7.9475 120.4335 64.2728 37.0993 178.3586 26 K 3.9225 8.1209 120.2599 59.4624 31.9270 178.7613 27 A 4.0770 7.9141 120.9379 54.9487 18.2696 179.5266 28 I 3.6149 7.9560 118.5925 64.4565 36.8892 178.3139 29 L 3.8894 7.8813 120.8363 58.2201 41.9527 178.4658 30 E 3.9792 8.5241 119.0324 59.7702 29.2392 179.7664 31 L 4.0191 7.8352 117.0752 57.7455 41.8553 179.0033 32 L 4.3828 7.7773 115.1600 55.4787 41.3521 178.1817 33 G 3.9041 7.5767 106.7312 46.7448 0.0000 176.1557 34 S 4.1358 7.9220 116.5406 59.7831 63.1550 174.7789 35 Q 4.5794 7.1198 119.9247 53.7999 30.0839 174.9381 36 N 4.5893 8.7550 120.3617 51.7664 38.6272 173.3448 37 P 4.0928 0.0000 0.0000 62.0397 33.1662 177.2289 38 I 3.7074 8.4339 122.9143 64.4820 37.2715 178.6855 39 K 3.9784 7.9907 119.8195 59.0823 31.8082 178.3336 40 E 4.0929 7.9735 119.5035 59.0457 29.5742 178.3873 41 S 4.3187 8.1252 114.8693 60.7982 63.0262 176.4682 42 L 4.0841 7.7003 122.1937 57.2768 41.2488 179.1102 43 E 3.9428 7.8142 117.6990 59.6477 29.3051 179.4609 44 T 3.8601 7.3593 109.8822 64.9709 68.9404 176.6346 45 V 3.7355 7.7188 120.8089 65.1200 31.6344 177.9176 46 A 4.0032 8.0399 120.7249 55.0064 18.2221 179.4242 47 A 4.0242 7.9108 119.0007 54.7371 18.4422 179.8235 48 K 3.9128 7.7588 117.1770 59.4071 32.1640 178.8215 49 I 3.6850 7.5544 119.7817 64.8777 37.1326 178.7900 50 V 3.6711 7.6822 112.3845 64.2406 31.3110 178.2016 51 N 4.3698 8.1795 116.9129 56.6742 38.9315 176.4147 52 D 4.4563 8.2116 119.7589 56.4397 41.0721 178.7038 53 L 4.1077 7.7597 119.8125 57.5620 41.7116 179.3661 54 T 3.8404 8.3732 116.4290 66.4247 68.1699 176.1374 55 K 3.8361 8.0096 120.5971 59.5497 31.9635 178.2127 56 L 4.0876 7.6860 119.7837 58.2222 42.0809 178.9967 57 I 3.7216 8.0616 120.0404 64.6090 36.9363 178.3019 58 N 4.4313 7.8004 114.9892 56.1253 38.3424 176.8236 59 D 4.3806 7.6624 118.9643 54.8566 42.2524 175.5402 60 C 3.6986 8.2385 116.1440 59.9832 25.0992 172.6925 61 P 4.3932 0.0000 0.0000 65.0256 31.9920 177.1966 62 C 4.5903 7.8968 115.9095 59.9462 28.9461 174.9756 63 N 4.3165 8.2153 119.7259 55.7807 38.1100 176.9006 64 K 3.8379 8.1260 120.6502 59.9247 31.8393 177.8294 65 E 4.1356 8.0095 117.5547 58.6823 30.0098 178.3135 66 I 3.8897 7.1854 118.0928 64.4327 37.2092 178.3805 67 L 4.0720 8.3935 119.9237 57.6977 41.1361 179.3732 68 E 4.0399 7.7571 116.0677 58.4298 29.4857 177.5464 69 A 4.3432 7.7675 120.0524 52.5581 19.5866 177.1557 70 L 4.2913 7.3732 120.7768 54.7090 41.8330 176.3405 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 3 N 8.28 4.86 0.00 2.77 2.93 0.00 0.00 6.65 5.85 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 4 L 7.86 3.70 0.00 1.83 1.65 0.92 0.35 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 5 N 8.34 4.29 0.00 2.85 2.86 0.00 0.00 6.62 7.30 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 6 Q 8.19 3.97 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 7 I 7.61 3.66 2.00 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 0.76 0.91 0.00 0.00 8 Q 8.36 3.95 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 9 K 7.97 3.89 0.00 1.90 2.03 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 10 E 8.13 3.93 0.00 2.07 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 2.32 0.00 11 V 8.16 3.57 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 1.03 0.00 0.00 0.98 0.00 0.00 12 S 8.04 4.11 0.00 4.06 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 13 E 8.48 3.92 0.00 2.16 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 2.30 2.35 0.00 14 I 8.15 3.67 1.99 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 0.70 0.91 0.00 0.00 15 L 8.09 3.96 0.00 1.81 1.90 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.11 4.11 0.00 4.10 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 0.00 17 D 8.28 4.38 0.00 2.87 2.76 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 18 Q 8.21 3.98 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 19 K 8.05 3.93 0.00 2.01 1.86 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.57 7.81 20 S 7.82 4.10 0.00 3.91 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 21 M 7.90 4.07 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.55 0.00 22 K 8.71 3.99 0.00 1.92 2.15 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.45 7.81 23 A 7.92 4.00 1.40 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 0.00 0.00 0.00 24 D 8.16 4.31 0.00 2.85 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 25 I 7.95 3.68 2.00 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 0.76 0.91 0.00 0.00 26 K 8.12 3.92 0.00 2.10 1.88 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 27 A 7.91 4.08 1.41 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 28 I 7.96 3.61 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 0.62 0.91 0.00 0.00 29 L 7.88 3.89 0.00 1.78 1.86 0.92 1.01 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 30 E 8.52 3.98 0.00 2.08 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 0.00 2.38 2.54 0.00 31 L 7.84 4.02 0.00 1.90 1.73 0.92 1.02 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 32 L 7.78 4.38 0.00 1.64 1.70 0.92 0.95 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 33 G 7.58 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 0.00 0.00 0.00 34 S 7.92 4.14 0.00 3.98 3.98 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 35 Q 7.12 4.58 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 36 N 8.75 4.59 0.00 2.83 2.82 0.00 0.00 6.17 7.75 0.00 0.00 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 P 0.00 4.09 0.00 2.18 2.02 0.00 3.75 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 2.19 2.23 0.00 38 I 8.43 3.71 1.87 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 1.52 0.67 0.91 0.00 0.00 39 K 7.99 3.98 0.00 1.78 1.80 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.43 7.81 40 E 7.97 4.09 0.00 2.07 2.10 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 2.37 2.39 0.00 41 S 8.13 4.32 0.00 3.93 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 42 L 7.70 4.08 0.00 1.75 1.71 0.95 0.83 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 43 E 7.81 3.94 0.00 2.19 2.00 0.00 0.00 0.00 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 2.52 0.00 44 T 7.36 3.86 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 45 V 7.72 3.74 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 1.00 0.00 0.00 0.95 0.00 0.00 46 A 8.04 4.00 1.42 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 47 A 7.91 4.02 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 48 K 7.76 3.91 0.00 1.88 1.80 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 49 I 7.55 3.69 2.04 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 1.52 1.09 0.91 0.00 0.00 50 V 7.68 3.67 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 0.80 0.00 0.00 0.96 0.00 0.00 51 N 8.18 4.37 0.00 2.98 2.81 0.00 0.00 7.19 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 52 D 8.21 4.46 0.00 2.91 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 53 L 7.76 4.11 0.00 1.63 1.71 0.92 0.76 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 54 T 8.37 3.84 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 55 K 8.01 3.84 0.00 1.70 2.07 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.51 7.81 56 L 7.69 4.09 0.00 1.83 1.81 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.06 3.72 1.87 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 1.52 0.46 0.91 0.00 0.00 58 N 7.80 4.43 0.00 2.84 2.89 0.00 0.00 7.16 7.41 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 59 D 7.66 4.38 0.00 2.95 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 60 C 8.24 3.70 0.00 3.18 3.01 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 0.00 0.00 0.00 61 P 0.00 4.39 0.00 2.17 2.18 0.00 3.74 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 1.99 1.99 0.00 62 C 7.90 4.59 0.00 2.99 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 63 N 8.22 4.32 0.00 2.99 2.85 0.00 0.00 6.57 7.67 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 64 K 8.13 3.84 0.00 1.81 1.84 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.69 1.54 7.81 65 E 8.01 4.14 0.00 2.00 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 2.28 2.39 0.00 66 I 7.19 3.89 1.99 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 1.67 0.78 0.91 0.00 0.00 67 L 8.39 4.07 0.00 1.63 1.72 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.76 4.04 0.00 2.19 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 2.34 2.50 0.00 69 A 7.77 4.34 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.37 4.29 0.00 1.71 1.58 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00