NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4102 0.0000 0.0000 62.0046 32.6444 176.0131 2 K 4.0723 8.4777 120.3517 55.6945 32.5886 175.8647 3 I 3.8727 9.3650 125.7037 61.6016 38.6138 175.1266 4 K 4.4708 8.4718 123.5752 55.0579 33.1544 176.3984 5 T 4.1548 8.4130 114.7926 60.6560 69.7977 174.8196 6 V 3.6498 8.5251 126.0323 62.9544 31.0976 176.4232 7 R 4.0065 8.5743 124.7194 59.3703 30.3155 178.1560 8 G 3.9196 8.2521 104.2912 48.1578 0.0000 175.2789 9 A 4.2269 8.0160 122.2855 54.5251 18.3097 178.6967 10 A 4.3483 7.8730 117.0114 53.2938 18.4966 178.4884 11 K 4.6320 7.4935 116.1986 55.8260 33.3296 177.1529 12 R 4.5308 7.8866 115.1759 55.6269 33.9908 174.8430 13 F 5.0612 7.9075 114.8503 54.8522 42.6188 175.6374 14 K 4.5856 9.5691 121.8995 55.1919 34.0554 173.5961 15 K 4.0059 8.5994 126.0984 56.3801 33.1728 175.7345 16 T 4.7057 8.5849 118.4055 60.6645 70.3790 176.2045 17 G 3.8021 8.0133 112.4876 46.6689 0.0000 173.6671 18 K 4.1855 7.7838 117.7012 56.5531 35.8891 174.3174 19 G 3.7531 9.1582 106.7767 49.2295 0.0000 173.8202 20 G 4.0309 7.5739 109.5720 44.9406 0.0000 173.5162 21 F 4.9863 8.5478 115.5766 54.2886 41.2033 175.1297 22 K 4.2114 8.2480 125.1127 56.0858 32.5194 173.1086 23 H 4.3547 8.2139 115.4225 55.3037 31.4912 172.6062 24 K 4.6223 8.3330 120.1580 55.4154 33.1653 175.9247 25 H 4.4983 8.4483 121.7308 55.3864 29.5583 175.8283 26 A 4.2271 8.4195 124.8328 52.9482 20.5690 177.0084 27 N 4.1368 8.7131 108.4732 53.9363 35.4150 175.1129 28 L 4.5285 7.3378 116.1622 54.0799 43.1021 175.2843 29 R 4.6604 8.0718 111.8267 55.6806 34.1282 173.9418 30 H 4.7058 8.0792 118.4640 54.5670 31.6780 169.3423 31 I 3.2724 8.7415 126.5545 60.6263 38.8918 173.0089 32 L 4.6731 8.1534 119.7481 55.6500 47.2688 177.7828 33 T 3.9897 8.1514 112.6148 64.4642 67.2182 174.2814 34 K 4.3942 7.9654 117.5653 56.3814 33.1479 175.9446 35 K 4.4914 7.9840 119.5760 54.4366 34.0743 176.6913 36 A 4.0451 8.4540 124.8371 52.4226 19.5233 178.5585 37 T 3.7792 8.6433 115.7989 64.8763 68.7704 176.3754 38 K 3.7491 7.9665 121.8533 59.1008 32.0546 178.0525 39 R 3.8318 7.9699 116.9426 59.7395 30.1364 177.9826 40 K 4.1065 7.9878 117.7486 59.4715 31.9223 179.2812 41 R 4.1891 8.3470 117.7760 59.2749 29.9055 177.1873 42 H 4.7319 7.8050 113.6857 56.8907 29.5194 176.2227 43 L 4.2402 8.0199 118.9894 55.0520 41.8171 178.3437 44 R 4.0810 7.7819 119.4923 57.8817 30.5004 174.7465 45 P 4.4907 0.0000 0.0000 62.4017 32.1079 175.4011 46 K 4.5001 8.2867 118.1766 55.9377 33.1011 176.1824 47 A 4.7948 8.2806 124.4873 50.3152 22.6839 175.4590 48 M 4.6897 8.3551 118.6573 54.0152 34.1172 176.5858 49 V 3.9696 8.3553 120.2075 62.6907 32.2672 176.9222 50 S 4.1495 8.7980 119.3052 58.9417 63.0848 174.5273 51 K 4.2541 8.7465 129.0387 57.8731 32.1027 178.0027 52 G 3.7492 8.1365 105.1849 48.0498 0.0000 173.5253 53 D 4.7538 7.9373 117.1352 53.8912 42.4728 177.6260 54 L 4.0946 8.0982 122.3417 58.6013 41.6822 178.8029 55 G 3.9364 8.0452 103.1230 48.0883 0.0000 174.6702 56 L 4.0540 7.3291 121.1366 57.2846 42.0572 179.5871 57 V 3.1048 7.4835 117.1012 65.6751 32.0636 177.7170 58 I 4.0343 7.7358 118.6622 60.0645 34.2717 174.9301 59 A 4.5383 7.0580 122.0275 53.4033 25.9564 177.6453 60 C 4.3271 7.8608 112.3335 60.8452 29.3348 173.3259 61 L 4.9397 7.1598 118.8414 52.3272 41.8203 175.2921 62 P 4.1158 0.0000 0.0000 65.7556 31.8675 177.3380 63 Y 4.4885 7.8560 113.1271 57.8251 38.2174 175.2889 64 A 4.2840 8.1044 129.2097 52.6191 18.4189 178.3584 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 P 0.00 4.41 0.00 2.21 2.13 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.01 0.00 2 K 8.48 4.07 0.00 1.86 1.83 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.55 7.81 3 I 9.36 3.87 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.50 0.99 0.00 0.00 4 K 8.47 4.47 0.00 1.76 1.76 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.43 7.81 5 T 8.41 4.15 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 6 V 8.53 3.65 2.16 0.00 0.00 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 0.94 0.00 0.00 7 R 8.57 4.01 0.00 1.80 2.02 0.00 3.41 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 8 G 8.25 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.23 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 10 A 7.87 4.35 1.38 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 0.00 0.00 11 K 7.49 4.63 0.00 1.80 1.82 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.80 7.81 12 R 7.89 4.53 0.00 1.54 1.46 0.00 3.26 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 13 F 7.91 5.06 0.00 2.81 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 14 K 9.57 4.59 0.00 1.88 1.81 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.44 7.81 15 K 8.60 4.01 0.00 1.95 1.75 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.03 7.81 16 T 8.58 4.71 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 17 G 8.01 3.80 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 0.00 0.00 0.00 18 K 7.78 4.19 0.00 1.76 1.71 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.21 1.21 7.81 19 G 9.16 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.57 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 21 F 8.55 4.99 0.00 3.41 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 22 K 8.25 4.21 0.00 1.98 1.79 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.50 7.81 23 H 8.21 4.35 0.00 3.04 3.06 0.00 5.50 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.33 4.62 0.00 1.67 1.70 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.37 7.81 25 H 8.45 4.50 0.00 3.46 3.20 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.42 4.23 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.71 4.14 0.00 2.78 2.90 0.00 0.00 6.52 7.85 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 28 L 7.34 4.53 0.00 1.73 1.58 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.07 4.66 0.00 1.90 1.96 0.00 3.03 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 30 H 8.08 4.71 0.00 3.08 3.17 0.00 5.90 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.74 3.27 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 0.91 0.00 0.00 32 L 8.15 4.67 0.00 1.68 1.67 0.92 0.65 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 33 T 8.15 3.99 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 34 K 7.97 4.39 0.00 1.89 1.89 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.44 7.81 35 K 7.98 4.49 0.00 1.85 1.75 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.35 7.81 36 A 8.45 4.05 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 37 T 8.64 3.78 4.23 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 1.20 0.00 0.00 38 K 7.97 3.75 0.00 1.78 1.79 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.28 7.81 39 R 7.97 3.83 0.00 1.81 2.19 0.00 3.28 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 40 K 7.99 4.11 0.00 1.96 1.84 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.71 7.81 41 R 8.35 4.19 0.00 1.89 2.16 0.00 3.26 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 42 H 7.81 4.73 0.00 3.34 3.28 0.00 5.72 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.02 4.24 0.00 1.66 1.71 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.78 4.08 0.00 1.95 1.96 0.00 3.25 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 45 P 0.00 4.49 0.00 2.22 2.05 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 46 K 8.29 4.50 0.00 1.62 1.84 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.37 7.81 47 A 8.28 4.79 1.03 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 48 M 8.36 4.69 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 49 V 8.36 3.97 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 1.18 0.00 0.00 1.39 0.00 0.00 50 S 8.80 4.15 0.00 4.06 4.02 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 0.00 0.00 0.00 51 K 8.75 4.25 0.00 2.08 1.96 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.44 7.81 52 G 8.14 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.94 4.75 0.00 2.74 2.70 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 0.00 0.00 0.00 54 L 8.10 4.09 0.00 1.82 1.84 1.18 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.05 3.94 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 0.00 0.00 0.00 56 L 7.33 4.05 0.00 1.66 1.66 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.48 3.10 1.54 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 -0.77 0.00 0.00 0.66 0.00 0.00 58 I 7.74 4.03 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 1.81 0.91 1.10 0.00 0.00 59 A 7.06 4.54 1.24 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 0.00 0.00 60 C 7.86 4.33 0.00 2.82 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 61 L 7.16 4.94 0.00 1.58 1.55 0.50 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.12 0.00 1.86 1.94 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 63 Y 7.86 4.49 0.00 2.99 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 64 A 8.10 4.28 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00