NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.5402 8.3249 119.4559 57.2998 40.4008 173.9038 2 E 4.5226 8.4289 121.7605 53.4030 32.5069 174.4633 3 N 4.5552 9.5293 121.8118 53.9451 39.4075 174.3611 4 R 4.6716 8.3273 125.5460 55.9799 31.2324 178.8414 5 V 3.6106 8.3423 120.5954 66.0693 31.4028 177.3119 6 A 4.3277 8.0150 121.3719 54.6624 18.1246 179.3403 7 E 3.9135 8.1164 116.3132 59.6441 29.5992 179.6427 8 K 4.1584 7.9508 118.5491 59.4466 31.6692 179.5331 9 Q 4.0879 8.6402 119.0540 58.6785 28.4948 178.6311 10 K 3.9432 8.0819 120.6729 59.4126 32.4692 178.4996 11 L 3.7841 7.9259 120.5420 58.1405 41.8143 178.3343 12 F 4.5302 8.1675 114.2502 58.2261 39.2300 176.0151 13 Q 4.5324 7.5218 116.4514 55.1365 29.6204 175.3974 14 E 3.9244 7.5296 119.3616 56.3984 29.8941 177.3989 15 D 4.6686 8.5225 127.2296 53.5889 39.1549 174.6896 16 N 4.8209 7.9932 115.5692 51.2550 38.1845 176.2346 17 G 3.9037 8.2664 104.7334 46.2631 0.0000 174.0307 18 L 4.2081 7.8764 120.2009 53.2116 42.4203 175.3810 19 P 4.4699 0.0000 0.0000 62.1941 31.7723 177.4703 20 V 3.6570 8.6545 120.2349 65.3876 31.0013 177.4953 21 H 4.5425 8.2283 113.0592 56.7215 28.6790 175.2938 22 L 4.7491 8.1313 118.9953 54.1070 43.2827 177.7400 23 K 4.1439 7.9036 118.9062 57.9510 32.2480 177.8152 24 G 3.6569 8.8938 107.4293 47.3987 0.0000 173.7724 25 G 3.6329 7.4206 106.0142 44.4530 0.0000 173.6781 26 A 4.0073 8.6476 120.8211 55.5593 18.1938 180.2324 27 T 3.8871 7.8890 113.9751 66.8681 68.4825 176.3067 28 D 4.4428 7.9244 120.6536 57.3999 40.7683 178.6268 29 N 4.4429 8.1475 116.3927 56.4155 38.5891 177.3108 30 I 3.7082 7.6126 120.5490 64.4070 37.1838 178.2466 31 L 3.9487 8.2896 121.4979 58.2238 41.8557 178.3457 32 Y 4.1233 8.3831 119.6344 60.9623 38.8100 178.3540 33 R 3.5556 8.1794 119.0111 58.8959 30.0151 179.3453 34 V 3.5088 7.9512 118.2599 66.1910 31.5273 178.1162 35 T 3.7932 7.9582 115.6285 67.0183 68.3179 176.2918 36 M 3.9088 8.0443 120.2947 58.7656 32.0679 178.3881 37 T 3.8065 7.8803 115.9357 66.6305 68.5868 176.6607 38 L 3.9888 8.0484 120.9876 57.8691 41.6107 179.4912 39 C 4.1342 8.2494 116.7133 62.8706 28.1276 176.2092 40 L 4.1184 8.3524 121.1165 57.6841 41.1998 179.8727 41 G 3.6949 8.5210 106.2324 47.8277 0.0000 176.0392 42 G 3.8472 8.3774 108.6070 47.7616 0.0000 175.9962 43 T 4.0074 8.0361 119.3315 65.8085 68.4736 176.7759 44 L 4.0457 8.1293 120.9720 58.1240 41.7048 178.8777 45 Y 4.5325 8.5907 120.0562 60.9577 38.5882 178.4315 46 S 3.9193 8.3864 115.4158 61.2750 63.0033 176.5119 47 L 4.1047 8.1393 122.6526 57.6269 41.2794 178.7557 48 Y 4.2750 8.3014 119.5005 61.1071 38.7317 177.9823 49 C 3.8053 8.1354 117.6268 62.5161 28.1478 175.8834 50 L 4.0468 8.2781 122.3894 58.0919 41.4716 179.2386 51 G 3.7346 8.1361 104.7884 47.5360 0.0000 175.1963 52 W 4.1856 8.2791 130.7076 60.2204 30.5856 177.9229 53 A 4.1512 8.4831 119.0481 54.4455 17.9292 179.3573 54 S 3.9702 8.0036 113.1858 59.5826 63.1422 174.3428 55 F 4.7610 6.7466 118.1654 54.4600 41.1949 173.6288 56 P 4.4102 0.0000 0.0000 63.1232 31.9184 175.8045 57 H 4.6188 8.3363 116.6011 56.0226 29.6304 174.3463 58 K 4.1988 8.1708 124.3896 57.0452 32.1168 174.6605 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 F 8.32 4.54 0.00 3.02 3.13 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 2 E 8.43 4.52 0.00 2.00 1.84 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 2.21 2.36 0.00 3 N 9.53 4.56 0.00 2.71 2.79 0.00 0.00 6.88 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 4 R 8.33 4.67 0.00 1.89 1.90 0.00 3.43 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.56 0.00 5 V 8.34 3.61 2.17 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 1.07 0.00 0.00 0.98 0.00 0.00 6 A 8.01 4.33 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 7 E 8.12 3.91 0.00 2.17 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 2.41 2.42 0.00 8 K 7.95 4.16 0.00 1.98 2.10 0.00 1.99 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.66 1.73 7.81 9 Q 8.64 4.09 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 10 K 8.08 3.94 0.00 1.96 2.02 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 11 L 7.93 3.78 0.00 1.65 1.69 0.66 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.17 4.53 0.00 3.19 3.10 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 13 Q 7.52 4.53 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 14 E 7.53 3.92 0.00 2.17 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 2.29 2.22 0.00 15 D 8.52 4.67 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.99 4.82 0.00 2.78 2.81 0.00 0.00 6.31 7.00 0.00 0.00 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 G 8.27 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 18 L 7.88 4.21 0.00 1.80 1.58 0.93 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 19 P 0.00 4.47 0.00 2.24 2.17 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 20 V 8.65 3.66 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 0.91 0.00 0.00 21 H 8.23 4.54 0.00 3.30 3.44 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.13 4.75 0.00 1.52 1.58 0.70 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.90 4.14 0.00 2.00 2.13 0.00 2.03 0.00 0.00 2.00 0.00 0.00 2.86 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.35 1.35 7.81 24 G 8.89 3.66 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 0.00 0.00 0.00 25 G 7.42 3.63 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 0.00 0.00 0.00 26 A 8.65 4.01 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 27 T 7.89 3.89 4.28 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 1.25 0.00 0.00 28 D 7.92 4.44 0.00 2.84 2.99 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 29 N 8.15 4.44 0.00 3.01 2.94 0.00 0.00 7.14 7.34 0.00 0.00 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 7.61 3.71 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 0.93 0.00 0.00 31 L 8.29 3.95 0.00 1.90 1.74 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.38 4.12 0.00 3.19 3.29 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 33 R 8.18 3.56 0.00 2.07 1.90 0.00 3.27 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 34 V 7.95 3.51 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 1.09 0.00 0.00 0.94 0.00 0.00 35 T 7.96 3.79 4.33 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 1.21 0.00 0.00 36 M 8.04 3.91 0.00 1.63 1.51 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 37 T 7.88 3.81 4.36 0.00 0.00 0.00 0.00 0.00 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 38 L 8.05 3.99 0.00 1.83 1.71 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.25 4.13 0.00 3.09 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 40 L 8.35 4.12 0.00 1.69 1.72 0.91 0.76 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 41 G 8.52 3.69 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 0.00 0.00 0.00 42 G 8.38 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.04 4.01 4.43 0.00 0.00 0.00 0.00 0.00 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 44 L 8.13 4.05 0.00 1.97 1.79 0.94 0.66 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 45 Y 8.59 4.53 0.00 3.05 3.19 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 46 S 8.39 3.92 0.00 4.01 4.12 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 0.00 0.00 0.00 0.00 47 L 8.14 4.10 0.00 2.01 1.83 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.30 4.28 0.00 3.16 3.37 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 49 C 8.14 3.81 0.00 2.96 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 50 L 8.28 4.05 0.00 1.81 1.89 0.92 1.28 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 51 G 8.14 3.73 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 0.00 0.00 0.00 52 W 8.28 4.19 0.00 2.99 3.10 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 53 A 8.48 4.15 1.47 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 0.00 0.00 0.00 54 S 8.00 3.97 0.00 3.83 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 6.75 4.76 0.00 2.82 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 56 P 0.00 4.41 0.00 2.12 1.98 0.00 3.85 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 57 H 8.34 4.62 0.00 3.03 3.30 0.00 6.02 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.17 4.20 0.00 1.80 1.75 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.34 7.81