NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6247 8.2076 120.5368 54.6453 43.2173 177.2182 2 Y 4.1003 8.3424 117.5558 60.0420 37.3369 177.1060 3 L 3.5394 7.3510 121.4731 57.5464 42.1708 180.6407 4 R 3.8833 7.7547 117.3284 59.2923 29.9401 178.6274 5 E 3.9568 8.5169 118.6904 59.5255 29.5002 179.6066 6 L 3.9731 8.2405 119.1816 57.5875 41.7408 178.9474 7 L 3.9043 8.1730 120.9250 58.4051 41.8773 179.3798 8 K 3.9536 8.5901 118.1918 59.3959 32.0147 179.0042 9 L 3.9727 8.1417 119.6989 58.3866 41.4135 179.7276 10 E 4.1898 8.3539 117.8341 59.0011 29.4422 179.3064 11 L 4.0364 8.0120 119.2976 57.7473 41.7654 179.2411 12 Q 3.9816 8.7048 118.1653 59.1054 28.7092 179.0582 13 A 3.9097 8.4026 121.5827 55.3922 18.5321 179.4442 14 I 3.7547 9.5926 117.8942 64.5538 37.0413 178.4384 15 K 3.8875 8.1853 120.0924 59.8645 32.1248 178.9316 16 Q 3.9646 7.9498 117.9365 59.1290 28.4902 178.3593 17 Y 4.2438 8.0716 117.8204 61.0136 37.7649 179.0684 18 R 3.9693 7.9881 118.6078 59.3921 30.1712 178.9225 19 E 3.9675 8.0181 118.0820 59.3870 29.3153 179.3181 20 A 4.0375 8.5686 121.2147 55.1108 18.2483 179.3999 21 L 4.0791 8.0114 117.9587 57.5509 42.1710 178.6055 22 E 4.0971 8.1203 119.2977 59.6030 29.7789 177.7829 23 Y 4.3985 8.2128 118.7435 58.9636 38.9844 176.1875 24 V 4.2537 7.2399 119.0010 60.4247 34.7240 175.5380 25 K 4.4005 8.4444 128.1870 55.2607 31.3985 177.7174 26 L 4.3774 7.4820 119.9777 53.2386 42.5734 176.7062 27 P 4.4843 0.0000 0.0000 65.3604 31.0376 178.8031 28 V 3.6022 7.8452 117.7228 65.1157 31.0517 178.3024 29 L 3.9163 8.5547 120.0032 57.2025 41.4019 179.4047 30 A 4.0054 7.8937 120.2769 54.6507 18.5876 179.2321 31 K 3.7958 8.2936 118.7658 59.8784 32.1899 179.0541 32 I 3.6986 7.8552 120.1944 63.7556 36.8040 178.2186 33 L 3.8078 7.8841 120.4978 57.9441 41.4806 179.4075 34 E 3.5821 8.0260 118.2896 59.3123 29.2274 179.0386 35 D 4.1544 7.5235 117.5745 57.5706 40.8892 178.7143 36 E 3.6590 8.0076 118.7601 59.2851 29.2861 179.0144 37 E 3.7830 8.9096 120.5814 59.2312 29.4739 179.1925 38 K 3.3601 7.6336 118.4833 59.2876 31.8576 179.1167 39 H 4.3216 7.9996 116.6173 58.9879 28.6538 177.9038 40 I 3.4964 7.8761 121.7782 64.1386 36.9762 177.8634 41 E 3.8260 7.5673 120.2977 59.3049 29.3682 179.1691 42 W 4.5350 7.9691 118.8424 59.6398 29.1205 178.3681 43 L 4.0442 8.9393 120.2487 58.2017 40.9305 179.3266 44 E 3.9910 8.5453 116.9710 59.9087 29.5946 179.4937 45 T 4.0648 7.8356 114.9764 66.8567 68.3744 176.8128 46 I 3.3630 7.7477 120.2517 64.1512 37.1942 177.6559 47 L 4.2641 8.1561 117.6914 54.4128 41.7769 177.1663 48 G 4.1791 8.7277 114.7889 45.8603 0.0000 173.6104 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 8.21 4.62 0.00 2.84 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.34 4.10 0.00 3.38 3.28 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 3 L 7.35 3.54 0.00 1.31 1.52 0.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.75 3.88 0.00 1.82 1.95 0.00 3.12 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 5 E 8.52 3.96 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 6 L 8.24 3.97 0.00 1.76 1.74 1.14 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.17 3.90 0.00 1.77 1.89 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.59 3.95 0.00 1.97 1.84 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.52 7.81 9 L 8.14 3.97 0.00 1.95 1.78 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.35 4.19 0.00 2.02 2.03 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 2.47 2.56 0.00 11 L 8.01 4.04 0.00 1.89 1.72 0.92 0.80 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 12 Q 8.70 3.98 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 13 A 8.40 3.91 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.59 3.75 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.92 0.00 0.00 15 K 8.19 3.89 0.00 1.83 2.11 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 16 Q 7.95 3.96 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.56 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 17 Y 8.07 4.24 0.00 3.15 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 18 R 7.99 3.97 0.00 2.16 2.00 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 19 E 8.02 3.97 0.00 1.94 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 2.33 2.59 0.00 20 A 8.57 4.04 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 21 L 8.01 4.08 0.00 1.89 1.97 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.12 4.10 0.00 2.09 2.28 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 2.41 2.35 0.00 23 Y 8.21 4.40 0.00 2.92 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 24 V 7.24 4.25 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 0.91 0.00 0.00 0.95 0.00 0.00 25 K 8.44 4.40 0.00 1.76 1.83 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.38 7.81 26 L 7.48 4.38 0.00 1.73 1.63 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.48 0.00 2.15 2.11 0.00 3.62 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 28 V 7.85 3.60 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 0.89 0.00 0.00 0.93 0.00 0.00 29 L 8.55 3.92 0.00 1.72 1.91 1.00 1.15 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 30 A 7.89 4.01 1.29 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 0.00 0.00 0.00 31 K 8.29 3.80 0.00 1.95 1.84 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.61 7.81 32 I 7.86 3.70 1.44 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 0.11 0.00 0.00 33 L 7.88 3.81 0.00 1.70 1.65 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.03 3.58 0.00 1.94 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 2.27 2.29 0.00 35 D 7.52 4.15 0.00 2.76 2.53 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 0.00 36 E 8.01 3.66 0.00 1.90 1.97 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 2.33 2.47 0.00 37 E 8.91 3.78 0.00 2.00 1.94 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 2.22 2.29 0.00 38 K 7.63 3.36 0.00 1.37 0.74 0.00 1.54 0.00 0.00 1.09 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.33 7.81 39 H 8.00 4.32 0.00 3.27 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.88 3.50 1.95 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 1.40 0.67 0.91 0.00 0.00 41 E 7.57 3.83 0.00 1.79 1.55 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 2.31 2.30 0.00 42 W 7.97 4.53 0.00 3.68 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 43 L 8.94 4.04 0.00 1.85 1.75 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.55 3.99 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 45 T 7.84 4.06 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 46 I 7.75 3.36 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.69 0.93 0.00 0.00 47 L 8.16 4.26 0.00 1.81 1.69 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.73 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00