NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.1491 8.3349 115.2922 60.9700 64.2131 174.7767 3 R 3.3528 7.2450 114.2726 56.9301 26.8521 171.2196 4 V 4.4692 7.3517 110.3861 59.2748 35.8189 175.9612 5 C 3.9988 8.3776 123.6874 60.9190 31.6636 175.6025 6 Q 4.0966 8.2668 123.3432 56.4766 28.5519 174.2487 7 V 4.0764 7.6335 115.0233 62.6446 32.3422 176.4871 8 T 4.4125 7.8642 107.2221 60.2696 70.1147 174.8409 9 G 3.8264 8.4664 109.5364 44.6662 0.0000 172.5108 10 K 3.7280 7.6728 119.6463 57.0518 31.9335 176.3943 11 R 4.7570 8.1666 122.6179 53.4404 32.0970 174.6503 12 P 5.0223 0.0000 0.0000 62.3199 31.6836 176.3275 13 V 4.3335 8.3241 123.5330 61.9806 33.8627 174.6482 14 T 4.7945 8.1163 114.4974 60.5583 71.0781 173.3193 15 G 4.3228 7.5919 105.1095 46.6026 0.0000 171.1522 16 N 5.4980 8.9379 116.4553 51.4291 41.1153 175.1544 17 N 4.1535 9.0582 120.9226 54.9758 39.2059 176.2060 18 R 4.2283 8.1694 113.2344 56.6822 28.3546 174.7956 19 S 4.3725 7.5631 119.8084 57.1717 64.3295 173.8499 20 H 4.1338 8.5284 119.6804 57.9220 29.6878 174.6817 21 A 3.5027 8.3030 125.0242 51.2903 16.0280 177.3629 22 L 3.5678 7.5842 115.9338 55.2316 39.1441 172.6558 23 N 4.8910 8.0091 117.9490 50.4677 41.8239 174.1529 24 A 4.3378 8.7497 126.3941 53.2569 19.4683 178.0063 25 T 4.7126 8.2262 113.9619 60.7043 68.2985 173.9278 26 K 4.4707 7.6791 120.0771 56.1978 32.3631 177.4394 27 R 4.7896 9.2073 127.2076 55.3757 32.3210 176.0354 28 R 4.6497 7.7423 111.2585 55.5167 31.8322 174.4241 29 F 4.7824 9.7081 122.1965 55.7950 41.0394 174.5413 30 L 4.6871 8.4051 124.3173 53.3441 41.8691 174.8968 31 P 4.3649 0.0000 0.0000 62.7303 31.5596 175.8336 32 N 4.2880 8.4054 117.3922 55.0176 39.3029 173.0436 33 L 3.7929 7.5891 122.0718 55.3139 41.3569 173.4572 34 H 4.6156 9.0707 115.4699 54.9905 36.0604 170.7668 35 S 4.0470 8.5072 122.4585 57.8509 63.9719 169.7054 36 H 4.5939 9.3267 123.8094 54.1694 33.6287 172.7263 37 R 4.8162 7.4921 118.4165 54.1202 29.3923 175.1103 38 F 4.5741 8.7832 121.4011 57.1325 40.5550 174.7017 39 W 5.0487 9.3167 133.8354 56.1099 30.1479 176.4818 40 V 2.9891 8.4668 121.5522 62.4492 31.3418 175.6239 41 E 2.5400 6.0388 123.2549 56.4206 29.6749 176.0510 42 S 3.9226 7.6117 113.0796 61.5818 62.6617 175.3969 43 E 3.9096 7.8696 120.4628 55.3616 29.5803 176.7392 44 K 3.7334 7.3753 117.3363 57.6417 31.5098 174.1901 45 R 4.8938 6.7937 115.6775 53.4778 33.2726 175.5240 46 F 6.3000 8.5152 120.5223 55.8939 38.7147 176.9517 47 V 3.5486 8.0228 111.6632 62.6692 32.7623 176.2542 48 T 5.3297 8.5280 120.4267 60.3028 68.3665 173.5518 49 L 4.8403 8.6802 128.4105 52.3526 45.0523 176.8144 50 R 4.4529 8.2696 124.0675 55.9019 27.5038 175.9526 51 V 4.4194 8.0351 122.3265 61.9718 33.8582 175.2606 52 S 5.2898 8.5113 119.2308 56.0832 65.7893 173.0946 53 A 4.0790 8.7248 123.1117 53.5867 18.7098 177.5894 54 K 4.1385 9.2370 125.5387 58.0524 31.7897 178.3673 55 G 3.8079 7.5919 104.3991 47.8162 0.0000 175.5415 56 M 4.2186 8.0152 120.6077 58.5258 32.0175 178.4695 57 R 3.9585 7.8170 116.9794 59.3409 29.8192 178.9534 58 V 3.6889 7.3652 116.9514 66.0872 31.7834 177.8943 59 I 4.1779 7.7298 118.9398 64.4443 36.6745 176.9962 60 D 4.8287 7.9612 116.8512 54.1966 40.7124 176.2939 61 K 4.4069 7.3679 118.3665 57.9878 34.9577 177.2796 62 K 4.0793 9.2029 116.9181 56.4867 32.7613 177.1966 63 G 4.5353 7.9527 105.5692 47.2192 0.0000 173.6261 64 I 3.8687 7.7029 123.9016 63.2244 37.1405 177.6122 65 D 4.3487 7.8707 121.0424 55.9069 39.4222 178.8054 66 T 3.8409 7.5266 117.8149 66.6280 68.4982 176.7633 67 V 3.5345 7.2771 118.4472 66.1446 31.7628 177.6226 68 L 4.0526 8.3677 117.8606 58.2552 41.2043 178.7720 69 A 3.8682 7.7843 120.8525 55.3325 18.2469 179.2385 70 E 4.0336 7.8120 115.3521 56.6490 32.3029 176.1996 71 L 4.0293 8.3950 123.2441 56.0318 41.9606 176.0939 72 R 4.0081 7.1562 115.3273 57.3690 29.1821 176.9808 73 A 4.2093 7.6533 120.7812 54.4740 19.0366 179.4490 74 R 3.9251 7.7866 111.1160 57.8553 29.7917 177.5544 75 G 3.8987 7.4586 106.5102 45.4062 0.0000 173.1473 76 E 4.2625 8.2128 120.4965 54.3708 29.8562 175.7177 77 K 3.3493 7.8904 116.5054 56.9509 32.9145 175.8719 78 Y 3.9960 8.0764 125.2561 57.1967 39.4922 169.3143 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 2 S 8.33 4.15 0.00 3.86 3.93 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 3 R 7.24 3.35 0.00 2.02 2.32 0.00 3.22 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 4 V 7.35 4.47 2.10 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 0.74 0.00 0.00 0.99 0.00 0.00 5 C 8.38 4.00 0.00 3.07 3.01 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 0.00 0.00 0.00 0.00 6 Q 8.27 4.10 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.61 0.00 7 V 7.63 4.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.88 0.00 0.00 8 T 7.86 4.41 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 9 G 8.47 3.83 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 0.00 0.00 0.00 10 K 7.67 3.73 0.00 1.88 1.85 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.46 7.81 11 R 8.17 4.76 0.00 1.80 1.87 0.00 3.21 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 12 P 0.00 5.02 0.00 2.22 2.11 0.00 3.38 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 13 V 8.32 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 0.99 0.00 0.00 0.99 0.00 0.00 14 T 8.12 4.79 4.30 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 1.25 0.00 0.00 15 G 7.59 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 0.00 0.00 0.00 0.00 16 N 8.94 5.50 0.00 2.61 2.72 0.00 0.00 6.80 8.00 0.00 0.00 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 N 9.06 4.15 0.00 2.59 2.88 0.00 0.00 7.20 8.61 0.00 0.00 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 8.17 4.23 0.00 1.89 2.11 0.00 3.13 0.00 0.00 3.14 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 19 S 7.56 4.37 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 20 H 8.53 4.13 0.00 3.09 3.31 0.00 5.99 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 21 A 8.30 3.50 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 22 L 7.58 3.57 0.00 1.81 1.70 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.01 4.89 0.00 2.69 2.67 0.00 0.00 6.89 7.27 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 24 A 8.75 4.34 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 25 T 8.23 4.71 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 1.26 0.00 0.00 26 K 7.68 4.47 0.00 1.67 1.87 0.00 1.97 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.47 1.45 7.81 27 R 9.21 4.79 0.00 1.41 1.71 0.00 2.21 0.00 0.00 2.69 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 28 R 7.74 4.65 0.00 1.80 1.90 0.00 2.96 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.44 0.00 29 F 9.71 4.78 0.00 2.90 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 30 L 8.41 4.69 0.00 1.76 1.67 0.92 0.70 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 31 P 0.00 4.36 0.00 2.07 2.09 0.00 3.70 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 2.21 2.12 0.00 32 N 8.41 4.29 0.00 2.70 2.88 0.00 0.00 7.06 7.78 0.00 0.00 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 L 7.59 3.79 0.00 1.77 1.62 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 34 H 9.07 4.62 0.00 3.16 3.27 0.00 5.78 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.51 4.05 0.00 4.18 4.01 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 0.00 0.00 0.00 0.00 36 H 9.33 4.59 0.00 2.94 1.96 0.00 5.72 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.49 4.82 0.00 1.26 1.15 0.00 2.83 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.18 0.00 38 F 8.78 4.57 0.00 3.26 3.12 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 39 W 9.32 5.05 0.00 3.32 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 40 V 8.47 2.99 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 0.69 0.00 0.00 0.59 0.00 0.00 41 E 6.04 2.54 0.00 1.59 1.63 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 2.14 2.30 0.00 42 S 7.61 3.92 0.00 3.92 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 43 E 7.87 3.91 0.00 1.98 1.85 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 2.32 2.28 0.00 44 K 7.38 3.73 0.00 1.79 1.83 0.00 1.84 0.00 0.00 1.58 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.57 7.81 45 R 6.79 4.89 0.00 1.72 1.68 0.00 3.11 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 46 F 8.52 6.30 0.00 3.14 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 47 V 8.02 3.55 1.99 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 0.39 0.00 0.00 1.03 0.00 0.00 48 T 8.53 5.33 4.22 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 0.00 0.00 0.00 1.23 0.00 0.00 49 L 8.68 4.84 0.00 1.86 1.64 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.27 4.45 0.00 1.85 1.92 0.00 3.30 0.00 0.00 3.18 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 51 V 8.04 4.42 2.37 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 1.06 0.00 0.00 1.23 0.00 0.00 52 S 8.51 5.29 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 53 A 8.72 4.08 1.31 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 0.00 0.00 0.00 54 K 9.24 4.14 0.00 1.96 1.92 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.38 7.81 55 G 7.59 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.02 4.22 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.91 0.00 57 R 7.82 3.96 0.00 1.98 2.04 0.00 3.19 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 58 V 7.37 3.69 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 1.01 0.00 0.00 1.00 0.00 0.00 59 I 7.73 4.18 1.71 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.54 0.60 0.00 0.00 60 D 7.96 4.83 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.37 4.41 0.00 1.81 1.90 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.50 7.81 62 K 9.20 4.08 0.00 1.75 1.77 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.36 7.81 63 G 7.95 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.70 3.87 1.85 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 1.76 0.77 0.89 0.00 0.00 65 D 7.87 4.35 0.00 2.86 2.90 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 66 T 7.53 3.84 4.41 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 1.23 0.00 0.00 67 V 7.28 3.53 2.12 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 0.76 0.00 0.00 0.95 0.00 0.00 68 L 8.37 4.05 0.00 1.63 1.95 1.03 0.31 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 69 A 7.78 3.87 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.81 4.03 0.00 2.04 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 2.44 2.44 0.00 71 L 8.40 4.03 0.00 1.81 1.75 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.16 4.01 0.00 1.03 2.01 0.00 3.10 0.00 0.00 2.66 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.36 0.00 73 A 7.65 4.21 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 74 R 7.79 3.93 0.00 1.91 2.05 0.00 3.20 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 75 G 7.46 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 76 E 8.21 4.26 0.00 1.91 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 0.00 2.37 2.29 0.00 77 K 7.89 3.35 0.00 1.95 1.85 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.62 7.81 78 Y 8.08 4.00 0.00 3.06 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00