NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3691 8.3044 120.3498 55.2306 33.1677 177.8938 2 K 4.1739 8.9746 114.1822 54.3483 33.2894 174.1915 3 R 4.3415 8.2140 125.4516 56.1597 32.2816 175.4678 4 T 4.1773 8.3264 107.4129 63.6552 69.6547 174.7935 5 F 4.6390 8.1987 124.4237 57.8900 38.9693 174.5745 6 Q 4.2716 8.4846 128.3837 52.7268 29.5413 173.6373 7 P 3.9226 0.0000 0.0000 63.3672 31.5344 177.2022 8 S 4.6360 8.2689 108.4607 56.3695 64.0627 176.8494 9 V 3.5987 7.9358 129.4215 64.7026 30.7454 177.9013 10 L 3.9025 7.8449 119.9477 58.0408 41.8806 179.0196 11 K 4.0111 7.7026 116.5116 59.6211 32.1734 178.7629 12 R 4.0583 8.4076 119.2268 59.4558 29.9320 177.8349 13 N 4.3725 8.3987 115.8687 56.5335 38.6433 178.3587 14 R 4.5042 7.5536 115.1283 56.5523 30.4297 177.2361 15 S 4.5814 7.8683 113.8323 60.4849 68.0336 174.8500 16 H 4.8372 8.5560 113.2605 55.1507 31.0623 173.4258 17 G 3.9581 8.6123 110.9933 44.7692 0.0000 175.1137 18 F 4.0189 8.8288 119.9192 61.4193 39.3028 177.1661 19 R 4.1831 8.2369 114.7742 58.0311 29.9961 177.7156 20 A 4.3672 7.6386 120.3538 54.0084 19.6260 179.0750 21 R 3.7908 7.9779 117.4010 59.5965 29.9110 178.5229 22 M 3.8764 8.1691 117.6840 57.2931 31.9218 178.0803 23 A 4.1180 7.1958 121.1594 54.3162 18.7996 177.9627 24 T 4.3410 7.0277 104.7874 60.2251 70.5659 174.6469 25 K 4.0977 8.3220 122.3562 58.7564 32.3534 178.2439 26 N 4.5718 8.1129 115.5027 54.9182 38.7984 176.5769 27 G 3.8820 8.2558 105.7751 45.1390 0.0000 175.3152 28 R 3.9429 7.4049 119.7224 58.7523 30.2567 178.1916 29 Q 4.0258 7.9277 117.5798 58.4827 28.7337 178.2523 30 V 3.5556 7.4356 119.1047 66.2197 30.7754 177.9697 31 L 3.9751 7.5150 118.0302 57.6546 41.5813 178.9503 32 A 4.4098 8.0344 120.5588 55.5945 18.2298 179.5510 33 R 3.7906 8.6460 117.2029 59.6842 30.1418 178.8786 34 R 3.9169 8.1481 117.6081 59.3499 30.0331 179.0404 35 R 3.9146 9.3206 117.8237 59.8035 29.9022 178.2435 36 A 3.9858 8.2216 118.7297 55.4965 18.3854 179.0963 37 K 3.8889 8.1797 118.0754 57.5800 32.2926 177.3308 38 G 3.8931 8.1375 106.3616 45.9927 0.0000 173.6930 39 R 3.9486 8.0945 118.1104 56.2299 30.7076 176.2989 40 A 4.1216 8.6815 125.9756 54.7467 18.7705 178.1569 41 R 4.6257 7.7080 113.1955 54.6778 32.0399 176.0487 42 L 4.2454 8.5648 123.5204 56.7223 42.2710 177.8888 43 T 4.3227 7.6135 113.7858 60.6634 69.5217 173.6602 44 V 3.2202 9.3518 129.7764 68.3660 31.4238 177.0429 45 S 3.6509 7.0143 115.8526 57.3494 66.8605 171.8953 46 K 4.1458 8.6847 123.6901 56.3963 32.3034 174.8293 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 8.30 4.37 0.00 2.00 1.37 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 8.97 4.17 0.00 1.83 1.69 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.53 7.81 3 R 8.21 4.34 0.00 1.87 1.95 0.00 3.44 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 4 T 8.33 4.18 4.29 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 1.24 0.00 0.00 5 F 8.20 4.64 0.00 2.90 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 6 Q 8.48 4.27 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.23 0.00 7 P 0.00 3.92 0.00 1.99 1.66 0.00 3.51 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 8 S 8.27 4.64 0.00 3.83 3.74 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 9 V 7.94 3.60 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 0.73 0.00 0.00 0.99 0.00 0.00 10 L 7.84 3.90 0.00 1.71 1.71 0.93 0.49 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 11 K 7.70 4.01 0.00 1.95 1.89 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.46 7.81 12 R 8.41 4.06 0.00 2.05 2.11 0.00 3.25 0.00 0.00 3.24 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 13 N 8.40 4.37 0.00 2.87 2.92 0.00 0.00 6.94 7.65 0.00 0.00 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 R 7.55 4.50 0.00 1.91 2.03 0.00 3.05 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.67 0.00 15 S 7.87 4.58 0.00 4.12 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 16 H 8.56 4.84 0.00 3.07 3.26 0.00 5.85 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 17 G 8.61 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 18 F 8.83 4.02 0.00 3.09 3.08 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 0.00 0.00 0.00 0.00 19 R 8.24 4.18 0.00 1.88 2.02 0.00 3.31 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 20 A 7.64 4.37 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 21 R 7.98 3.79 0.00 2.07 1.69 0.00 3.10 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 22 M 8.17 3.88 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.58 0.00 23 A 7.20 4.12 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 24 T 7.03 4.34 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 1.18 0.00 0.00 25 K 8.32 4.10 0.00 1.83 1.81 0.00 1.58 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 26 N 8.11 4.57 0.00 2.80 2.82 0.00 0.00 7.05 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.26 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 28 R 7.40 3.94 0.00 2.09 1.94 0.00 3.04 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 29 Q 7.93 4.03 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 30 V 7.44 3.56 2.27 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 1.03 0.00 0.00 0.98 0.00 0.00 31 L 7.51 3.98 0.00 1.68 1.74 0.68 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.03 4.41 1.37 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 0.00 0.00 33 R 8.65 3.79 0.00 2.25 1.98 0.00 3.15 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 34 R 8.15 3.92 0.00 2.04 1.99 0.00 3.22 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 35 R 9.32 3.91 0.00 2.08 2.02 0.00 3.19 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 1.68 1.71 0.00 36 A 8.22 3.99 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 37 K 8.18 3.89 0.00 1.77 2.05 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 38 G 8.14 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 0.00 0.00 0.00 39 R 8.09 3.95 0.00 1.93 2.02 0.00 3.29 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 1.63 1.72 0.00 40 A 8.68 4.12 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 41 R 7.71 4.63 0.00 1.80 1.86 0.00 3.21 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 42 L 8.56 4.25 0.00 1.71 1.86 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.61 4.32 4.56 0.00 0.00 0.00 0.00 0.00 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 V 9.35 3.22 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 0.85 0.00 0.00 1.02 0.00 0.00 45 S 7.01 3.65 0.00 4.09 3.31 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 46 K 8.68 4.15 0.00 1.65 1.64 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.46 7.81