NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4278 8.1185 122.4622 51.4486 20.5399 175.8256 2 A 4.2794 8.6987 124.8289 51.4285 19.0543 175.7562 3 C 5.0230 9.1340 122.6462 54.0490 48.1171 171.5456 4 K 4.5486 8.5603 123.9943 57.2195 33.2053 176.8410 5 C 5.1598 9.2519 121.2992 55.2723 44.0766 174.3966 6 D 4.5623 8.9621 119.9297 53.6258 41.5866 176.3730 7 D 4.9243 8.0384 120.5062 52.7412 40.6165 176.0821 8 E 4.5915 8.8382 124.5946 56.6730 29.4820 180.0866 9 G 3.9210 8.2138 114.4066 45.8921 0.0000 170.5698 10 P 4.3122 0.0000 0.0000 65.4385 31.9457 177.0980 11 D 4.6704 7.3844 119.1531 52.0807 38.8475 175.9792 12 I 3.1990 6.8282 110.4152 64.3839 38.3505 176.5127 13 R 4.6137 7.7493 127.3981 53.8986 28.6328 175.2084 14 T 4.2487 8.1093 107.6450 60.3781 71.6434 174.5429 15 A 4.4688 7.7984 134.7883 48.6399 19.1722 174.8038 16 P 4.7031 0.0000 0.0000 65.8422 31.8427 176.3419 17 L 4.6199 7.5325 132.4604 54.0273 40.9623 175.7290 18 T 4.4847 8.3713 112.8549 62.6673 70.3888 174.7313 19 G 4.0644 8.0909 110.3175 46.2854 0.0000 171.1639 20 T 5.1168 8.8261 118.3870 61.1212 71.4528 174.1311 21 V 3.7683 8.5084 126.1044 63.6180 31.7996 174.8925 22 D 4.8900 9.2835 128.1853 52.4382 44.5233 175.4401 23 L 4.2259 8.3227 120.1718 54.6716 42.1016 174.8514 24 G 4.0594 9.3778 115.1513 44.9105 0.0000 172.8267 25 S 4.7874 7.7756 114.1399 55.7097 66.4983 174.5944 26 C 4.7728 8.4336 119.4014 55.1862 43.0665 173.3612 27 N 4.5690 8.4399 121.0342 52.7907 39.3619 174.1139 28 A 4.1177 8.6255 126.5189 53.8781 19.0726 176.2337 29 G 4.0495 9.2088 114.5483 46.1795 0.0000 173.8246 30 W 4.8127 8.1839 123.6906 55.2215 28.0164 175.4442 31 E 4.1828 9.1864 124.8837 55.5504 29.9885 176.1227 32 K 4.3603 8.9772 125.3427 57.5323 31.3334 175.1750 33 C 4.8999 9.1204 120.2151 55.6624 41.1743 172.5885 34 A 4.7201 8.5028 121.5081 49.2955 19.3974 176.5456 35 S 4.1615 8.9309 115.7352 61.2939 63.1618 175.3060 36 Y 4.8513 7.8599 119.1647 55.6238 41.0898 172.0980 37 Y 4.6921 7.7232 124.8465 58.2790 41.6072 175.5374 38 T 4.1555 6.7254 106.6295 59.9610 72.6047 177.5089 39 I 2.8067 6.9503 117.6963 58.4576 41.0964 173.8528 40 I 4.9100 7.9063 113.2965 60.7700 39.1851 175.7528 41 A 5.3214 8.7701 124.0196 51.2840 22.4324 175.8313 42 D 5.2274 9.2354 120.3353 51.7144 43.8778 173.7683 43 C 5.9627 9.1709 116.2826 54.5086 42.2850 172.7634 44 C 5.7579 8.9774 120.7166 55.0829 43.4442 172.9326 45 R 5.0075 8.8495 122.1402 54.1368 32.7097 174.6370 46 K 3.6198 8.0952 127.3583 57.0010 31.7882 176.4168 47 K 4.1299 9.1534 133.8183 57.6003 31.6164 176.4322 48 K 4.0264 7.8538 120.0778 56.8560 31.9121 176.5902 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 A 8.12 4.43 1.28 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 2 A 8.70 4.28 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 3 C 9.13 5.02 0.00 2.64 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.56 4.55 0.00 1.83 1.84 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.58 7.81 5 C 9.25 5.16 0.00 2.94 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 6 D 8.96 4.56 0.00 2.76 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 7 D 8.04 4.92 0.00 2.69 2.63 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 0.00 0.00 0.00 8 E 8.84 4.59 0.00 2.37 1.89 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 2.32 2.29 0.00 9 G 8.21 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 10 P 0.00 4.31 0.00 2.04 2.11 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 11 D 7.38 4.67 0.00 2.60 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 12 I 6.83 3.20 1.88 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 0.57 0.95 0.00 0.00 13 R 7.75 4.61 0.00 1.82 1.94 0.00 3.32 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.56 0.00 14 T 8.11 4.25 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 15 A 7.80 4.47 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 16 P 0.00 4.70 0.00 2.24 2.20 0.00 3.86 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.92 0.00 17 L 7.53 4.62 0.00 1.61 1.66 0.96 0.85 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 18 T 8.37 4.48 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 1.26 0.00 0.00 19 G 8.09 4.06 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 0.00 0.00 0.00 20 T 8.83 5.12 4.11 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 1.15 0.00 0.00 21 V 8.51 3.77 2.05 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 0.75 0.00 0.00 0.92 0.00 0.00 22 D 9.28 4.89 0.00 2.70 2.34 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 23 L 8.32 4.23 0.00 1.47 1.59 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.38 4.06 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 0.00 0.00 0.00 25 S 7.78 4.79 0.00 3.95 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 26 C 8.43 4.77 0.00 3.03 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 27 N 8.44 4.57 0.00 2.83 2.82 0.00 0.00 7.05 7.81 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 28 A 8.63 4.12 1.30 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 0.00 0.00 29 G 9.21 4.05 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 0.00 0.00 0.00 30 W 8.18 4.81 0.00 3.37 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 31 E 9.19 4.18 0.00 2.02 1.91 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 2.48 2.58 0.00 32 K 8.98 4.36 0.00 1.68 1.86 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.51 7.81 33 C 9.12 4.90 0.00 3.00 3.46 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 34 A 8.50 4.72 1.21 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 0.00 0.00 35 S 8.93 4.16 0.00 4.06 4.09 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 0.00 0.00 0.00 36 Y 7.86 4.85 0.00 2.86 2.88 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 37 Y 7.72 4.69 0.00 2.53 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 38 T 6.73 4.16 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 0.72 0.00 0.00 39 I 6.95 2.81 1.88 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 1.51 0.81 0.90 0.00 0.00 40 I 7.91 4.91 1.91 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 1.30 0.62 0.98 0.00 0.00 41 A 8.77 5.32 1.21 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 0.00 0.00 42 D 9.24 5.23 0.00 2.75 2.86 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 0.00 0.00 0.00 0.00 43 C 9.17 5.96 0.00 2.59 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 44 C 8.98 5.76 0.00 3.10 3.14 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 0.00 0.00 0.00 0.00 45 R 8.85 5.01 0.00 1.92 1.75 0.00 3.15 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 46 K 8.10 3.62 0.00 0.79 1.11 0.00 1.02 0.00 0.00 0.61 0.00 0.00 2.76 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.90 1.11 7.81 47 K 9.15 4.13 0.00 1.77 1.86 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.24 7.81 48 K 7.85 4.03 0.00 1.68 1.70 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.55 7.81