NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4032 8.1627 120.6036 55.4130 34.1125 173.8490 2 Q 4.5471 8.4339 127.7847 53.8464 30.5499 172.9019 3 I 4.5487 9.2815 120.0966 59.0082 42.3848 173.3065 4 F 5.3581 8.5537 120.4850 55.6605 42.1983 175.1202 5 V 4.7849 9.3350 123.0548 61.2315 34.0573 174.1833 6 K 5.1173 8.9537 129.1689 55.0907 33.8470 177.4680 7 T 4.5940 9.0375 116.0639 60.6584 69.8703 175.2818 8 L 3.9190 8.4398 123.3996 58.3581 42.0158 177.6161 9 T 4.1058 7.8160 105.5812 62.0973 69.0279 175.0623 10 G 3.9182 8.2569 110.9183 45.1020 0.0000 173.4958 11 K 4.1650 7.8754 121.9550 56.4887 33.3581 175.7590 12 T 4.9096 8.4668 123.7824 62.3856 70.1267 173.9629 13 I 4.4569 8.9463 127.8134 59.9396 39.4738 174.7086 14 T 4.9133 8.6016 124.3506 62.4669 69.6448 174.3905 15 L 4.8335 8.8444 125.8126 52.7878 45.9394 174.9232 16 E 4.8740 8.6749 122.5593 54.8328 30.9841 175.1686 17 V 4.7056 8.8349 119.6050 59.8477 36.3798 174.3744 18 E 4.6975 9.1651 120.3903 53.9659 32.0543 176.0383 19 P 4.1717 0.0000 0.0000 65.8597 31.5199 178.2194 20 S 4.4294 7.8969 109.5092 58.9221 63.6136 174.0527 21 D 4.4207 8.0327 123.5014 54.5714 41.2661 176.4040 22 T 4.7272 8.2316 114.0232 61.1013 71.2337 175.9707 23 I 3.6873 8.3270 122.3438 64.4566 37.0544 178.2061 24 E 3.9256 8.4963 120.5952 59.5968 29.3815 178.6283 25 N 4.2973 8.2952 116.2420 56.4652 38.6371 177.5574 26 V 3.6021 7.8271 119.4858 65.9168 31.5596 178.2520 27 K 4.3500 8.7147 119.8671 58.8696 31.7522 179.2193 28 A 4.0747 8.0586 121.1980 54.9519 18.2611 179.8684 29 K 3.9307 8.1646 117.2124 59.5888 32.0113 179.6819 30 I 3.7306 7.9097 120.2530 64.1255 36.8973 178.0915 31 Q 4.2023 8.3994 122.2425 58.6948 28.6830 177.8433 32 D 4.3075 8.0461 117.7076 57.4055 41.2915 177.9266 33 K 4.1258 7.9178 118.5833 58.6776 32.4144 177.6937 34 E 4.6056 8.6845 116.6005 55.3445 31.1824 177.2569 35 G 3.8838 8.2765 106.5422 45.3163 0.0000 172.8827 36 I 4.1987 7.3808 121.0687 58.8270 38.2259 173.5921 37 P 4.4271 0.0000 0.0000 62.1603 31.9697 175.4102 38 P 4.2437 0.0000 0.0000 65.7542 31.3957 178.1168 39 D 4.4836 8.0529 115.7033 55.4628 39.6815 176.7411 40 Q 4.3400 8.1846 118.3713 56.2277 29.5125 174.7695 41 Q 4.7513 7.8893 118.7965 54.7533 30.7795 174.8303 42 R 4.6733 8.9313 122.7352 54.4184 33.0318 174.6806 43 L 5.1808 8.4959 123.7941 53.0166 44.5071 175.4184 44 I 5.0544 8.7405 123.9936 59.4509 40.9485 174.3519 45 F 5.1035 9.0008 127.7140 56.9550 42.6150 174.6295 46 A 3.3905 9.0792 129.4501 53.1345 15.8138 177.3697 47 G 3.9553 8.2010 108.4139 45.4855 0.0000 173.4502 48 K 4.6143 7.5815 119.4722 54.2168 34.3026 175.5224 49 Q 4.5455 8.5176 122.3037 56.0506 29.3208 175.7152 50 L 4.2093 8.7092 124.3639 53.8872 43.1949 176.1846 51 E 4.3644 9.4291 123.3545 55.6627 30.6709 176.9944 52 D 4.3759 9.2302 125.0009 57.6620 40.9666 178.7317 53 G 3.9139 8.0278 103.4566 45.5886 0.0000 173.3245 54 R 4.5478 7.9187 120.0895 54.5196 31.9683 176.3506 55 T 4.7269 8.0456 110.9491 60.9683 70.1100 175.4348 56 L 4.0901 8.6503 123.1588 58.2850 41.4756 179.8990 57 S 4.0896 7.8242 113.0594 61.5464 62.0900 175.7404 58 D 4.4048 7.7966 119.5468 55.9527 40.5373 176.4739 59 Y 4.6247 7.3717 115.6025 56.6755 38.6946 174.8470 60 N 4.1736 7.9457 117.3273 54.3990 38.0526 174.3507 61 I 3.6542 7.6566 116.3883 60.9155 38.1930 175.6073 62 Q 4.6532 8.7772 123.2511 53.0948 32.4019 174.4890 63 K 4.0860 8.4388 119.4369 58.4416 32.2718 176.2304 64 E 3.7174 9.0555 123.8307 56.8799 28.0746 174.9027 65 S 4.5754 7.9606 115.7693 59.0110 64.3041 173.2182 66 T 5.2194 8.7746 118.9278 62.1458 70.3887 174.0566 67 L 4.9756 9.1358 126.7272 53.6124 45.1441 174.9615 68 H 5.3043 8.9932 116.4092 54.0629 32.3618 172.6246 69 L 5.0052 8.9605 125.8399 53.4030 43.5365 175.4757 70 V 4.4515 8.7576 126.8668 61.0191 34.0760 174.2945 71 L 4.9061 8.6213 128.1158 54.0863 42.7896 176.9389 72 R 4.2906 8.8822 119.6972 56.2751 29.2122 175.9628 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 M 8.16 4.40 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 2 Q 8.43 4.55 0.00 2.14 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 1.79 2.19 0.00 3 I 9.28 4.55 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.86 0.76 0.00 0.00 4 F 8.55 5.36 0.00 3.10 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.33 4.78 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 0.97 0.00 0.00 0.92 0.00 0.00 6 K 8.95 5.12 0.00 1.74 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.40 7.81 7 T 9.04 4.59 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 1.23 0.00 0.00 8 L 8.44 3.92 0.00 1.64 1.75 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.82 4.11 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 10 G 8.26 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 11 K 7.88 4.16 0.00 1.81 1.70 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 12 T 8.47 4.91 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 1.28 0.00 0.00 13 I 8.95 4.46 1.98 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 1.38 1.30 0.98 0.00 0.00 14 T 8.60 4.91 4.31 0.00 0.00 0.00 0.00 0.00 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 15 L 8.84 4.83 0.00 1.46 1.46 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.67 4.87 0.00 1.90 1.80 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 2.17 2.33 0.00 17 V 8.83 4.71 2.13 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 0.69 0.00 0.00 0.88 0.00 0.00 18 E 9.17 4.70 0.00 1.82 1.79 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 2.19 2.37 0.00 19 P 0.00 4.17 0.00 2.15 2.09 0.00 3.56 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 2.09 2.06 0.00 20 S 7.90 4.43 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 21 D 8.03 4.42 0.00 2.84 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.23 4.73 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 1.28 0.00 0.00 23 I 8.33 3.69 2.18 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.05 0.89 0.00 0.00 24 E 8.50 3.93 0.00 2.14 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 2.32 2.42 0.00 25 N 8.30 4.30 0.00 2.98 2.85 0.00 0.00 6.69 7.29 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 26 V 7.83 3.60 2.19 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 1.00 0.00 0.00 0.90 0.00 0.00 27 K 8.71 4.35 0.00 1.94 1.84 0.00 1.83 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.65 1.46 7.81 28 A 8.06 4.07 1.36 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 0.00 0.00 0.00 29 K 8.16 3.93 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.67 7.81 30 I 7.91 3.73 2.14 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 1.40 0.84 0.91 0.00 0.00 31 Q 8.40 4.20 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 32 D 8.05 4.31 0.00 2.69 2.84 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 0.00 0.00 0.00 33 K 7.92 4.13 0.00 1.88 1.81 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.48 7.81 34 E 8.68 4.61 0.00 2.05 1.96 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 2.24 2.43 0.00 35 G 8.28 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.38 4.20 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.89 0.91 0.00 0.00 37 P 0.00 4.43 0.00 2.25 1.99 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 38 P 0.00 4.24 0.00 2.17 2.22 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 39 D 8.05 4.48 0.00 2.78 2.80 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 40 Q 8.18 4.34 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 41 Q 7.89 4.75 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 42 R 8.93 4.67 0.00 1.81 1.81 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 43 L 8.50 5.18 0.00 1.53 1.51 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.74 5.05 1.93 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 1.12 0.64 0.97 0.00 0.00 45 F 9.00 5.10 0.00 2.90 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 46 A 9.08 3.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.20 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 0.00 0.00 0.00 48 K 7.58 4.61 0.00 1.84 1.74 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.58 7.81 49 Q 8.52 4.55 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 50 L 8.71 4.21 0.00 1.30 1.16 0.66 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.43 4.36 0.00 2.03 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 2.37 2.42 0.00 52 D 9.23 4.38 0.00 2.75 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.03 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.92 4.55 0.00 2.07 1.76 0.00 3.46 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 55 T 8.05 4.73 4.38 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 1.23 0.00 0.00 56 L 8.65 4.09 0.00 1.95 1.75 0.90 1.00 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 57 S 7.82 4.09 0.00 3.83 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.80 4.40 0.00 2.48 2.18 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 59 Y 7.37 4.62 0.00 2.91 3.03 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 60 N 7.95 4.17 0.00 2.88 2.96 0.00 0.00 7.14 8.10 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 61 I 7.66 3.65 1.68 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.11 0.61 0.00 0.00 62 Q 8.78 4.65 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 63 K 8.44 4.09 0.00 1.69 1.72 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.44 7.81 64 E 9.06 3.72 0.00 2.23 2.35 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 2.28 2.53 0.00 65 S 7.96 4.58 0.00 3.74 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 66 T 8.77 5.22 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 1.21 0.00 0.00 67 L 9.14 4.98 0.00 1.58 1.59 0.72 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.99 5.30 0.00 3.07 3.18 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.96 5.01 0.00 1.60 1.57 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.76 4.45 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 1.01 0.00 0.00 0.94 0.00 0.00 71 L 8.62 4.91 0.00 1.57 1.58 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.88 4.29 0.00 1.74 1.88 0.00 3.10 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00