NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4754 8.3349 115.4125 58.8160 64.3220 173.5489 2 T 4.3420 7.4285 115.3981 61.7190 71.8049 173.2840 3 A 4.3078 9.1675 129.8636 51.5056 20.3421 176.4068 4 L 4.2687 8.1213 119.1718 54.2078 42.5494 177.1442 5 A 4.3611 8.2107 125.2383 50.7190 19.7872 177.1842 6 K 3.9546 8.4819 122.8346 55.8968 32.4850 175.3462 7 P 4.5872 0.0000 0.0000 61.2354 32.9264 174.9566 8 Q 4.1317 8.4183 119.8001 56.3160 28.9829 175.0308 9 M 4.5884 8.6655 123.8439 55.0187 33.1207 175.9599 10 R 4.5530 7.8833 117.8997 55.3551 32.5715 176.4972 11 G 3.8799 8.7457 107.8850 46.8419 0.0000 175.5319 12 L 3.9420 7.3420 120.5849 57.4937 41.3923 179.2921 13 L 4.0137 7.8379 119.3024 57.9674 42.3056 178.4594 14 A 4.0195 7.9993 120.2233 55.1453 18.2750 179.6573 15 R 3.8893 8.3665 116.8888 59.5068 30.1669 179.0013 16 R 4.0366 7.7083 118.3391 59.5500 29.9724 178.1363 17 L 3.9929 8.2520 119.9352 58.4182 41.9982 178.8838 18 R 4.0537 7.9819 116.8956 59.5755 30.0375 178.5776 19 F 4.2918 8.5342 120.2174 61.7560 39.4523 177.0216 20 H 3.6745 8.7922 115.8907 58.4608 28.5102 177.5418 21 I 3.6251 8.2453 121.1599 64.2919 37.6883 177.8749 22 V 3.8600 7.4303 118.6437 66.0248 31.1623 178.1734 23 G 3.4529 7.7169 104.6016 47.6139 0.0000 175.1692 24 A 3.9247 8.0976 123.8280 55.0296 18.4057 179.7272 25 F 4.0736 8.0188 116.1145 60.7551 38.7023 177.6097 26 M 4.0565 8.1304 117.2393 58.6303 32.4734 178.2034 27 V 3.7462 8.0743 118.7525 66.1493 31.8172 178.1169 28 S 4.5261 8.4566 114.2812 61.6735 62.7497 176.3510 29 L 4.2570 8.3994 122.6131 57.4228 41.2668 179.3853 30 G 3.5165 7.9775 105.6189 47.4909 0.0000 175.3248 31 F 4.0302 7.8137 119.9629 60.0550 39.1835 177.6213 32 A 4.1329 8.2731 120.1294 55.7395 18.2417 179.8640 33 T 3.9339 8.3057 108.1080 64.5398 68.8622 176.8399 34 F 4.2354 9.0126 124.1830 61.2776 39.5236 176.4521 35 Y 4.0232 8.6908 119.5736 61.3029 38.5082 177.1734 36 K 3.5640 8.1978 119.3255 60.6571 30.6292 178.4254 37 F 3.9359 8.2806 117.3474 60.1964 39.0166 177.1708 38 A 4.0516 8.0588 118.7458 53.2087 18.4409 177.4021 39 V 3.9960 7.3865 115.7307 63.2229 34.8495 177.0833 40 A 3.8296 7.4209 120.6912 55.0477 18.3092 179.0414 41 E 3.8357 8.7788 118.9024 59.2841 29.7612 178.7630 42 K 3.8725 7.3877 117.2813 59.7206 32.0830 178.7030 43 R 4.1052 8.3268 119.1758 59.1348 29.6682 178.2855 44 K 3.9837 8.4751 119.8838 58.8557 32.0801 178.4785 45 K 4.0229 7.9865 119.0960 58.7956 32.5972 178.1204 46 A 4.0315 8.4106 121.4763 55.7288 18.1592 179.3313 47 Y 3.6640 8.0892 114.4459 60.9677 37.8423 178.0176 48 A 4.1930 7.5233 120.4105 55.3315 18.6697 179.2663 49 D 4.4522 8.7336 117.6719 57.4559 40.7657 178.3080 50 F 3.8535 7.7193 119.7919 61.8133 39.2253 175.6698 51 Y 4.7805 8.0627 114.3858 58.6325 37.7931 176.9534 52 R 4.0891 8.3492 121.8141 59.2343 30.7673 176.8829 53 N 5.0582 7.8690 111.5657 51.8861 38.9196 173.3224 54 Y 4.4140 7.6859 120.1261 55.7247 41.3401 173.5243 55 D 4.5876 7.5387 126.0085 52.0189 42.8760 176.3414 56 S 4.3566 8.0186 124.9467 61.0027 62.9602 176.0173 57 M 4.1153 7.9656 121.2063 58.3412 32.1979 177.7890 58 K 3.8511 8.2337 119.8071 59.5188 32.3781 178.0082 59 D 4.5616 8.4200 119.8569 56.7376 41.2011 177.7865 60 F 4.5235 8.5385 121.4203 61.6419 39.3248 176.6883 61 E 3.5097 8.4125 118.1875 59.5262 29.2344 179.1664 62 E 3.8948 7.8430 117.7520 59.8846 29.0761 179.5383 63 M 3.9864 7.8531 118.2352 58.2357 32.0978 178.8098 64 R 3.8401 8.0654 119.2043 59.3855 29.9826 178.8046 65 K 3.9576 8.1179 117.4738 59.2017 32.1041 178.9698 66 A 4.1111 7.8444 120.2269 52.8570 18.2207 177.9589 67 G 3.7965 7.5660 104.9079 46.4433 0.0000 175.2265 68 I 3.7488 7.0489 115.2369 62.9402 37.8689 176.4643 69 F 4.9718 7.4538 118.8457 57.1699 39.6401 174.6456 70 Q 4.7533 8.7598 116.4148 55.9654 29.0365 175.7702 71 S 4.5330 7.9926 108.9649 57.7646 64.0133 173.8255 72 A 4.3820 7.7964 118.0417 52.5527 19.8043 177.2597 73 K 4.2516 8.7315 119.9362 57.3420 32.3598 177.1684 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 S 8.33 4.48 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.43 4.34 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 3 A 9.17 4.31 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 4 L 8.12 4.27 0.00 1.65 1.60 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.21 4.36 1.23 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 0.00 0.00 0.00 6 K 8.48 3.95 0.00 1.73 1.74 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.59 0.00 2.21 2.05 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 8 Q 8.42 4.13 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 9 M 8.67 4.59 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.51 0.00 10 R 7.88 4.55 0.00 1.81 1.81 0.00 3.23 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 11 G 8.75 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 12 L 7.34 3.94 0.00 1.67 1.75 0.92 0.51 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 13 L 7.84 4.01 0.00 1.77 1.66 0.93 1.00 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 14 A 8.00 4.02 1.39 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 0.00 0.00 0.00 15 R 8.37 3.89 0.00 2.15 2.02 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 16 R 7.71 4.04 0.00 1.91 2.19 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 17 L 8.25 3.99 0.00 1.84 1.83 0.95 0.98 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 18 R 7.98 4.05 0.00 1.97 2.07 0.00 3.26 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 19 F 8.53 4.29 0.00 3.17 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 20 H 8.79 3.67 0.00 3.44 3.36 0.00 5.88 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.25 3.63 2.09 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 1.10 0.00 0.00 22 V 7.43 3.86 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 0.99 0.00 0.00 0.92 0.00 0.00 23 G 7.72 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.92 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.02 4.07 0.00 3.26 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 26 M 8.13 4.06 0.00 1.98 2.30 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 2.63 2.59 0.00 27 V 8.07 3.75 2.28 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 1.27 0.00 0.00 1.04 0.00 0.00 28 S 8.46 4.53 0.00 4.12 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 29 L 8.40 4.26 0.00 2.12 1.84 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.98 3.52 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 0.00 31 F 7.81 4.03 0.00 3.31 3.24 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 32 A 8.27 4.13 1.46 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 0.00 0.00 0.00 33 T 8.31 3.93 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 34 F 9.01 4.24 0.00 3.06 3.30 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 35 Y 8.69 4.02 0.00 3.29 3.21 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 36 K 8.20 3.56 0.00 1.91 1.37 0.00 0.61 0.00 0.00 0.66 0.00 0.00 2.49 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.15 1.30 7.81 37 F 8.28 3.94 0.00 3.09 2.96 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 38 A 8.06 4.05 0.28 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 39 V 7.39 4.00 1.17 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 0.70 0.00 0.00 0.62 0.00 0.00 40 A 7.42 3.83 1.25 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 0.00 0.00 0.00 41 E 8.78 3.84 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.48 0.00 42 K 7.39 3.87 0.00 1.74 1.85 0.00 1.66 0.00 0.00 1.50 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.56 7.81 43 R 8.33 4.11 0.00 1.94 2.14 0.00 3.14 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 44 K 8.48 3.98 0.00 2.17 1.83 0.00 1.54 0.00 0.00 1.55 0.00 0.00 3.13 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.51 7.81 45 K 7.99 4.02 0.00 1.90 1.95 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.48 7.81 46 A 8.41 4.03 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 47 Y 8.09 3.66 0.00 3.08 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.52 4.19 1.39 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 0.00 0.00 0.00 49 D 8.73 4.45 0.00 2.75 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 50 F 7.72 3.85 0.00 2.85 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 51 Y 8.06 4.78 0.00 3.21 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 52 R 8.35 4.09 0.00 2.04 2.08 0.00 3.22 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 53 N 7.87 5.06 0.00 2.69 2.70 0.00 0.00 6.70 7.46 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 54 Y 7.69 4.41 0.00 3.12 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 55 D 7.54 4.59 0.00 2.55 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 0.00 0.00 0.00 0.00 56 S 8.02 4.36 0.00 4.24 4.37 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 57 M 7.97 4.12 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.72 0.00 58 K 8.23 3.85 0.00 1.92 1.84 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.41 7.81 59 D 8.42 4.56 0.00 2.83 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 60 F 8.54 4.52 0.00 3.30 3.32 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 61 E 8.41 3.51 0.00 2.07 1.90 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 2.33 2.49 0.00 62 E 7.84 3.89 0.00 2.11 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 2.30 2.52 0.00 63 M 7.85 3.99 0.00 1.69 2.38 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.45 0.00 64 R 8.07 3.84 0.00 1.25 1.74 0.00 3.17 0.00 0.00 2.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 65 K 8.12 3.96 0.00 1.83 1.80 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.48 7.81 66 A 7.84 4.11 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 67 G 7.57 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 68 I 7.05 3.75 1.69 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.36 0.75 0.00 0.00 69 F 7.45 4.97 0.00 3.36 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 70 Q 8.76 4.75 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.33 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 71 S 7.99 4.53 0.00 3.91 3.89 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 0.00 0.00 0.00 72 A 7.80 4.38 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.73 4.25 0.00 1.79 1.75 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.47 7.81