NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6096 8.3493 120.5319 54.3862 40.9673 174.4263 2 E 5.4935 7.7980 116.2595 57.1270 32.4575 176.2946 3 D 4.7379 8.3891 126.6574 54.8415 41.4311 177.4968 4 T 4.0502 8.1437 122.6820 64.7195 69.3472 173.0565 5 Y 4.4758 8.2872 121.0982 56.2578 41.7792 173.8288 6 Y 5.2061 8.2385 118.2753 56.2509 40.0269 175.3105 7 L 4.5270 8.6323 126.5303 53.0752 43.1540 175.4377 8 Q 4.1772 8.6735 128.4991 55.3437 29.0852 174.9738 9 V 4.3686 8.1930 125.1567 60.9101 33.8621 174.3512 10 R 4.2989 8.6523 127.2977 55.9132 31.5051 175.0484 11 G 3.9121 8.7859 113.7484 46.2303 0.0000 173.6390 12 R 3.9837 8.9081 124.4138 59.7566 30.1759 177.8751 13 E 3.9358 8.2873 118.3418 59.4161 29.6319 178.2047 14 N 4.3075 8.1285 116.3157 56.6703 39.1743 176.3556 15 F 4.4326 8.6531 122.4464 61.5061 39.4715 176.8895 16 E 3.7166 8.6015 118.4952 59.3937 29.1502 179.4152 17 I 3.6767 7.6210 119.4957 64.4856 37.1304 178.5918 18 L 4.0314 7.8614 119.5860 57.6319 41.4334 179.1516 19 M 3.8157 8.2706 118.5593 58.5699 32.1843 178.2056 20 K 3.8661 7.9969 119.7053 59.3904 32.2777 178.4809 21 L 4.3013 7.5949 121.8964 57.3164 41.9282 178.7130 22 K 3.9659 8.5621 120.1877 59.4203 31.9889 178.4398 23 E 3.9053 8.2175 119.8790 59.0960 29.5934 178.9089 24 S 4.0674 8.0151 114.2927 61.5195 62.8491 176.4953 25 L 3.9678 8.1883 121.9959 57.2977 41.8011 179.1145 26 E 4.1279 8.4051 118.6573 59.5200 29.4738 179.5170 27 L 4.0542 8.2678 119.1152 57.6172 41.4087 178.8607 28 M 4.2537 7.5978 117.0457 57.5644 32.1587 177.0220 29 E 4.3105 7.9601 115.9913 57.6775 30.4150 177.2136 30 L 4.5032 8.0859 119.5113 54.6589 41.2849 176.0503 31 V 4.0641 7.1098 120.3278 60.8827 32.7106 173.8877 32 P 4.1292 0.0000 0.0000 63.0605 32.3050 176.3063 33 Q 3.9749 8.9313 123.7432 59.0538 28.8385 177.0845 34 P 4.2481 0.0000 0.0000 65.8174 31.1081 177.9840 35 L 4.0379 7.8472 119.6364 57.7023 42.0450 178.8369 36 V 3.6929 7.8342 118.4293 65.7723 31.4504 177.4147 37 D 4.3499 8.3446 118.0319 57.4501 41.0435 178.1909 38 S 4.0816 7.9033 113.5576 61.5399 62.2904 175.5064 39 Y 4.0617 7.9169 121.7548 60.9298 38.5240 178.1774 40 R 3.5778 8.4589 119.2958 59.1170 29.9286 178.9435 41 Q 3.8404 7.8978 119.3643 59.2957 28.9365 178.0044 42 Q 3.9027 7.6652 119.0788 59.0238 29.0350 177.5697 43 Q 3.9573 7.8587 120.6446 58.3502 28.8870 177.4355 44 Q 4.0300 7.9199 120.1605 58.2024 29.0392 177.3227 45 L 4.1083 7.1839 121.4600 56.6184 42.4201 177.1689 46 L 4.3606 6.8507 113.6463 55.1330 43.2927 174.7364 47 Q 4.2685 8.6466 120.7550 56.3845 29.4128 176.0492 48 R 4.1025 7.7710 122.2245 56.4463 30.1095 176.2890 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 D 8.35 4.61 0.00 2.72 2.82 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 2 E 7.80 5.49 0.00 2.18 2.04 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 2.12 2.37 0.00 3 D 8.39 4.74 0.00 2.45 2.38 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 4 T 8.14 4.05 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 1.28 0.00 0.00 5 Y 8.29 4.48 0.00 2.95 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.24 5.21 0.00 3.00 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 7 L 8.63 4.53 0.00 1.67 1.68 0.95 0.82 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 8 Q 8.67 4.18 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.45 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 9 V 8.19 4.37 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 1.16 0.00 0.00 1.04 0.00 0.00 10 R 8.65 4.30 0.00 1.79 1.79 0.00 3.44 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 11 G 8.79 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 12 R 8.91 3.98 0.00 1.98 2.00 0.00 3.42 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.85 0.00 13 E 8.29 3.94 0.00 2.09 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 2.40 2.40 0.00 14 N 8.13 4.31 0.00 2.84 3.19 0.00 0.00 6.94 7.74 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 15 F 8.65 4.43 0.00 3.13 3.23 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 16 E 8.60 3.72 0.00 2.11 1.93 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 2.59 2.50 0.00 17 I 7.62 3.68 1.98 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 1.52 1.41 0.91 0.00 0.00 18 L 7.86 4.03 0.00 1.77 1.74 1.09 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 19 M 8.27 3.82 0.00 1.62 1.44 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 20 K 8.00 3.87 0.00 1.85 1.89 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.46 7.81 21 L 7.59 4.30 0.00 1.74 1.78 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.56 3.97 0.00 1.81 2.03 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.64 7.81 23 E 8.22 3.91 0.00 2.06 2.06 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 2.28 2.29 0.00 24 S 8.02 4.07 0.00 4.07 4.07 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 0.00 0.00 0.00 25 L 8.19 3.97 0.00 1.71 1.78 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.41 4.13 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 27 L 8.27 4.05 0.00 1.76 1.69 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 28 M 7.60 4.25 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 29 E 7.96 4.31 0.00 2.20 2.06 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 2.49 2.30 0.00 30 L 8.09 4.50 0.00 1.75 1.80 0.91 0.82 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 31 V 7.11 4.06 2.06 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 0.89 0.00 0.00 0.94 0.00 0.00 32 P 0.00 4.13 0.00 2.19 2.02 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 33 Q 8.93 3.97 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 34 P 0.00 4.25 0.00 2.31 2.31 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 35 L 7.85 4.04 0.00 1.79 1.90 0.94 0.90 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 36 V 7.83 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 1.05 0.00 0.00 0.98 0.00 0.00 37 D 8.34 4.35 0.00 2.77 2.85 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 38 S 7.90 4.08 0.00 3.90 4.07 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 0.00 0.00 0.00 39 Y 7.92 4.06 0.00 3.10 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 40 R 8.46 3.58 0.00 2.06 1.94 0.00 3.23 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.02 0.00 41 Q 7.90 3.84 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 42 Q 7.67 3.90 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 43 Q 7.86 3.96 0.00 1.41 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 44 Q 7.92 4.03 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 45 L 7.18 4.11 0.00 1.56 1.84 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 46 L 6.85 4.36 0.00 1.75 1.56 0.93 0.81 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 47 Q 8.65 4.27 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.17 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 48 R 7.77 4.10 0.00 1.79 1.84 0.00 3.23 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 1.63 1.61 0.00