NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4043 8.3044 120.3512 55.4096 34.3123 176.0713 1 Q 3.6573 7.8065 119.2875 56.2880 28.9900 175.3652 2 H 5.1321 7.6938 116.7801 56.7489 30.0153 172.5360 3 H 5.1019 8.0403 135.0000 57.2078 30.0815 175.9406 4 G 4.2073 8.1206 106.6068 45.1838 0.0000 173.6072 5 V 4.3272 7.7700 121.1750 59.2070 31.3955 174.6559 6 T 4.5722 7.5663 118.6248 63.2441 71.0720 174.2374 7 K 4.3780 8.7237 117.2578 57.3691 33.3477 170.5522 8 C 4.0344 8.5354 131.5995 55.0369 45.1124 172.5069 9 N 4.1813 8.8551 124.2969 55.4016 36.7492 174.7140 10 I 4.2942 7.4879 118.6953 58.8622 39.9345 173.7102 11 T 4.4605 8.3498 122.9027 60.5544 68.7348 175.9910 12 C 4.6956 8.4259 128.6638 56.4988 38.7564 174.3866 13 S 4.0151 8.0594 119.0038 60.7062 63.1683 174.0606 14 K 4.6999 7.6655 117.1599 54.8572 35.3584 173.8578 15 M 5.4560 8.2910 118.5898 53.0158 33.9901 177.0498 16 T 4.4366 8.7399 118.9819 62.0029 69.2586 172.6686 17 S 4.6801 8.2137 115.5330 55.7080 65.7924 173.5965 18 K 2.0000 7.9383 120.3678 56.4091 32.1658 175.6289 19 I 4.2223 5.8722 123.7553 58.4677 41.0675 172.8514 20 P 4.2056 0.0000 0.0000 62.7855 31.4563 177.3719 21 V 3.8537 8.7301 123.8262 64.5401 31.1664 177.8558 22 A 4.2144 8.0189 121.4349 53.6852 18.5239 177.4756 23 L 4.5457 8.3922 115.5353 54.8715 43.2137 176.7089 24 L 4.7234 7.6783 119.5121 54.5013 42.1266 176.5473 25 I 4.6021 8.6481 115.6505 61.7153 39.9841 175.1967 26 H 5.2281 8.1669 120.5433 54.5995 33.6453 171.6102 27 Y 5.3048 8.4851 120.8659 55.4651 40.7825 174.2713 28 Q 4.5111 9.1737 121.4930 54.0319 33.1210 173.6650 29 Q 4.8471 8.2745 120.6052 54.4968 31.3320 174.6384 30 N 4.7114 8.6787 123.7926 53.6417 40.7910 173.5617 31 Q 4.9252 8.3967 120.2867 54.1069 31.3012 176.5916 32 A 4.3136 8.7455 123.5480 53.3299 18.6095 178.2272 33 S 4.6037 7.8857 109.2150 57.8801 64.6017 174.6102 34 C 4.8165 7.8394 119.0163 55.9703 42.2651 174.7048 35 G 3.5490 8.5203 115.2052 46.8292 0.0000 172.1264 36 K 4.3641 8.2217 122.0368 55.1791 33.2748 177.6311 37 R 4.7421 8.6435 122.5107 56.4551 28.2860 175.2712 38 A 5.1271 8.1521 127.9467 50.0189 23.0642 174.1987 39 I 4.7156 8.5145 114.5534 59.9815 40.6361 175.0542 40 I 4.8073 8.8272 126.2910 59.7754 39.4671 174.5465 41 L 5.0595 8.8201 127.4968 53.0244 44.0935 174.9372 42 E 5.8324 9.5925 126.0676 53.9150 32.0583 175.1967 43 T 5.2011 8.5509 116.6627 59.7723 71.5969 175.6317 44 R 4.0688 8.5265 118.8754 58.6699 29.3157 177.2023 45 Q 4.4392 7.6307 117.7161 56.5401 29.5877 175.0083 46 H 4.0296 7.7780 110.7715 57.1527 27.0032 176.8323 47 R 4.6294 7.8020 119.6883 55.0835 31.3875 174.8352 48 L 5.9206 8.4627 126.2643 52.5165 43.1994 176.0934 49 F 4.7894 8.8665 122.0682 55.7135 43.8610 175.3127 50 C 4.9893 8.9944 119.6511 56.4116 39.2914 172.1372 51 A 5.2615 8.9039 126.5941 49.8920 21.8149 175.0563 52 D 4.7658 9.0154 121.1984 52.9542 42.2454 175.3284 53 P 4.1577 0.0000 0.0000 65.8380 31.5439 177.6229 54 K 3.9941 8.1943 115.5083 59.6311 32.3553 177.9063 55 E 4.1027 8.2369 118.9197 56.3698 30.5801 177.5515 56 Q 3.9178 8.8644 125.1229 59.1315 29.5065 178.3430 57 W 4.6276 8.5487 117.0523 59.3153 27.6996 177.9485 58 V 2.8769 6.8659 118.4694 65.0248 31.3398 177.8305 59 K 3.8409 7.5824 118.1424 59.5186 31.8956 179.1958 60 D 4.2630 8.5938 119.2570 57.1425 40.9397 178.3329 61 A 3.9536 7.6484 120.8383 55.6380 18.1631 179.7190 62 M 3.4912 7.7665 116.6858 58.5767 31.8506 178.5555 63 Q 3.9098 7.5035 117.9594 59.7143 29.2184 178.4263 64 H 4.2832 8.0396 119.0424 59.1377 30.0000 176.8772 65 L 3.9051 7.6939 120.2555 58.1981 41.5234 179.2524 66 D 4.3671 8.2519 118.7907 57.6831 40.9054 179.0952 67 R 3.9891 8.0373 118.5018 58.8293 29.7568 178.6546 68 Q 3.9988 7.8431 117.4986 59.0773 28.4081 178.0566 69 A 4.1252 7.9880 120.9510 54.7371 17.9780 179.1249 70 A 4.3874 8.2036 120.7103 54.7712 18.3028 179.5976 71 A 4.1158 7.4888 115.2829 53.8189 18.3910 178.2090 72 L 4.4660 7.2059 116.3951 55.4131 43.7869 176.4838 73 T 4.6509 8.9215 108.2130 59.5561 71.7896 173.5675 74 R 4.0319 8.5126 120.8752 56.5625 30.1091 175.4600 75 N 4.6756 8.8698 115.3986 52.8286 41.1911 174.3652 76 G 4.0301 8.2043 110.3353 45.5970 0.0000 172.8148 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 0 M 8.30 4.40 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 1 Q 7.81 3.66 0.00 2.03 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.12 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 2 H 7.69 5.13 0.00 3.28 3.35 0.00 5.89 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 8.04 5.10 0.00 3.18 3.38 0.00 5.87 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 4 G 8.12 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 0.00 0.00 0.00 0.00 5 V 7.77 4.33 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 0.84 0.00 0.00 0.93 0.00 0.00 6 T 7.57 4.57 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 1.19 0.00 0.00 7 K 8.72 4.38 0.00 1.70 1.73 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.16 1.22 7.81 8 C 8.54 4.03 0.00 3.13 3.04 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 0.00 0.00 0.00 9 N 8.86 4.18 0.00 2.85 2.96 0.00 0.00 5.85 7.80 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 10 I 7.49 4.29 1.85 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 1.29 0.91 0.90 0.00 0.00 11 T 8.35 4.46 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 1.19 0.00 0.00 12 C 8.43 4.70 0.00 3.25 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.06 4.02 0.00 3.86 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 14 K 7.67 4.70 0.00 1.66 1.71 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.52 7.81 15 M 8.29 5.46 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.33 0.00 16 T 8.74 4.44 4.67 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 0.00 0.00 0.00 1.41 0.00 0.00 17 S 8.21 4.68 0.00 3.70 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 18 K 7.94 2.00 0.00 1.21 1.41 0.00 1.48 0.00 0.00 1.59 0.00 0.00 3.15 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.20 1.13 7.81 19 I 5.87 4.22 1.88 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.14 0.83 0.00 0.00 20 P 0.00 4.21 0.00 2.15 2.01 0.00 3.51 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 2.06 2.03 0.00 21 V 8.73 3.85 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.92 0.00 0.00 22 A 8.02 4.21 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 0.00 0.00 0.00 0.00 0.00 23 L 8.39 4.55 0.00 1.76 1.72 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.68 4.72 0.00 1.82 1.68 1.06 0.94 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 25 I 8.65 4.60 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.82 0.96 0.00 0.00 26 H 8.17 5.23 0.00 3.37 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.49 5.30 0.00 2.95 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 28 Q 9.17 4.51 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 29 Q 8.27 4.85 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.14 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 30 N 8.68 4.71 0.00 2.90 2.81 0.00 0.00 7.11 6.85 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 31 Q 8.40 4.93 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 32 A 8.75 4.31 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 33 S 7.89 4.60 0.00 3.96 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.84 4.82 0.00 2.94 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 35 G 8.52 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.22 4.36 0.00 1.75 1.75 0.00 1.61 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.42 7.81 37 R 8.64 4.74 0.00 1.82 1.88 0.00 3.00 0.00 0.00 3.89 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.48 0.00 38 A 8.15 5.13 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 39 I 8.51 4.72 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.90 1.02 0.00 0.00 40 I 8.83 4.81 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 1.24 0.96 0.96 0.00 0.00 41 L 8.82 5.06 0.00 1.79 1.73 0.60 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.59 5.83 0.00 2.09 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 2.30 2.13 0.00 43 T 8.55 5.20 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 1.34 0.00 0.00 44 R 8.53 4.07 0.00 1.97 2.15 0.00 3.05 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 45 Q 7.63 4.44 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 46 H 7.78 4.03 0.00 3.31 3.33 0.00 5.63 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.80 4.63 0.00 1.99 1.95 0.00 3.14 0.00 0.00 2.81 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.80 0.00 48 L 8.46 5.92 0.00 1.55 1.64 0.93 0.96 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 49 F 8.87 4.79 0.00 3.05 3.04 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 0.00 0.00 0.00 50 C 8.99 4.99 0.00 2.93 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 51 A 8.90 5.26 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 52 D 9.02 4.77 0.00 2.85 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.16 0.00 2.05 2.08 0.00 3.78 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 2.03 2.11 0.00 54 K 8.19 3.99 0.00 1.98 1.94 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.47 7.81 55 E 8.24 4.10 0.00 2.05 2.25 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 2.48 2.61 0.00 56 Q 8.86 3.92 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.04 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 57 W 8.55 4.63 0.00 3.68 3.33 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 58 V 6.87 2.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 -0.18 0.00 0.00 59 K 7.58 3.84 0.00 1.90 1.77 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.74 7.81 60 D 8.59 4.26 0.00 3.03 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 61 A 7.65 3.95 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 62 M 7.77 3.49 0.00 1.56 1.96 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 1.98 0.00 63 Q 7.50 3.91 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 64 H 8.04 4.28 0.00 3.29 3.49 0.00 5.86 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 65 L 7.69 3.91 0.00 1.70 1.74 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.25 4.37 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 67 R 8.04 3.99 0.00 1.93 1.85 0.00 3.12 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 68 Q 7.84 4.00 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.29 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 69 A 7.99 4.13 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 70 A 8.20 4.39 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.49 4.12 1.32 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 0.00 0.00 0.00 72 L 7.21 4.47 0.00 1.68 1.72 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.92 4.65 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 1.22 0.00 0.00 74 R 8.51 4.03 0.00 1.94 2.00 0.00 2.97 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 1.60 1.63 0.00 75 N 8.87 4.68 0.00 2.67 2.83 0.00 0.00 7.22 8.01 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 76 G 8.20 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