NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4200 8.3049 120.3514 55.9944 33.3432 173.2613 2 D 4.4114 8.1079 119.5976 53.0299 44.6765 173.5529 3 F 5.1264 8.4974 121.9205 57.0376 42.0259 175.0276 4 N 4.8077 8.8811 124.7775 51.8670 37.4856 173.8680 5 P 4.1474 0.0000 0.0000 65.1280 32.7425 178.4752 6 S 3.9676 7.6584 114.7480 61.7366 63.1408 175.4216 7 E 4.0650 8.0432 117.7403 59.4009 29.4476 178.5900 8 V 3.7015 7.6261 117.6022 65.3014 31.6506 177.7310 9 A 4.0587 7.7712 121.7143 54.7639 18.0321 179.5052 10 S 4.1709 7.9969 114.6716 61.0227 62.6934 176.4329 11 Q 3.8540 7.6686 119.5944 59.1980 28.3879 179.1496 12 V 3.1010 7.3442 118.0252 66.1420 31.3387 177.9750 13 T 3.9441 8.5742 116.2674 66.9508 68.2801 176.0061 14 N 4.5740 8.6114 118.1916 56.0416 38.3404 176.9473 15 Y 3.8886 8.5112 118.3253 61.3318 38.0479 178.5825 16 I 4.0087 7.7986 118.8272 64.0467 37.5119 177.9774 17 Q 4.1376 7.7572 117.6873 58.5466 28.4148 178.3592 18 A 4.0319 8.0169 121.8639 55.3864 18.4620 179.7686 19 I 3.6160 7.8548 117.4592 64.1591 37.0887 178.1507 20 A 3.9695 7.6441 120.3271 55.1994 18.0431 179.5468 21 A 3.8496 7.7212 118.7851 55.4717 18.2478 179.7749 22 A 4.1246 7.9860 118.7439 54.7960 18.1519 179.9380 23 G 3.5281 8.6771 105.1310 47.7550 0.0000 176.2625 24 V 3.5851 7.8966 120.7156 65.6090 31.6369 178.2342 25 G 4.5551 7.8165 105.6043 47.7085 0.0000 175.8917 26 V 3.5600 7.4888 119.9682 66.1197 31.5648 178.2150 27 L 3.8599 7.4997 118.1997 57.3608 41.3603 179.0609 28 A 4.0612 9.4218 121.0440 55.4529 18.0376 179.7417 29 L 3.9924 8.3874 117.3704 57.4416 41.6950 179.6432 30 A 4.0059 8.9268 121.9106 55.3809 18.4196 179.7399 31 I 3.7587 8.7220 119.5739 64.1443 36.7666 178.8479 32 G 3.6757 7.7611 106.9155 48.0731 0.0000 175.7807 33 L 4.3571 7.6852 120.3999 56.8251 41.4283 179.5459 34 S 4.1954 7.9535 114.7696 61.7771 63.1421 176.3708 35 A 4.2257 7.9565 122.6002 55.1146 18.2868 179.5476 36 A 4.0655 7.6910 119.4351 54.9383 18.3575 179.6223 37 W 4.0045 9.1376 127.9541 60.3839 30.7025 178.4038 38 K 4.0297 8.2596 118.6205 59.6782 31.5560 178.7547 39 Y 4.2609 8.1219 119.0047 60.7130 38.7315 177.1830 40 A 4.1243 8.0343 120.5567 55.2401 18.5404 178.9257 41 K 3.8342 7.5887 115.7994 59.3261 32.2974 179.6751 42 R 3.8647 8.5658 118.3867 59.3167 30.1520 179.1241 43 F 4.0845 8.5014 117.7557 60.1401 38.5548 177.8558 44 L 4.1846 7.9742 117.5688 57.3835 41.4565 178.7949 45 K 4.0801 7.5224 117.6330 59.3177 32.0483 177.0194 46 G 3.7290 7.5344 110.1991 45.7398 0.0000 173.1125 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 4.42 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 2 D 8.11 4.41 0.00 2.78 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.50 5.13 0.00 2.76 2.91 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 4 N 8.88 4.81 0.00 2.82 2.89 0.00 0.00 6.10 7.79 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 5 P 0.00 4.15 0.00 1.81 0.94 0.00 3.40 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.10 0.00 6 S 7.66 3.97 0.00 3.78 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 7 E 8.04 4.06 0.00 1.92 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 2.29 2.25 0.00 8 V 7.63 3.70 2.03 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 1.04 0.00 0.00 0.91 0.00 0.00 9 A 7.77 4.06 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 10 S 8.00 4.17 0.00 4.12 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 11 Q 7.67 3.85 0.00 2.12 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 12 V 7.34 3.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.62 0.00 0.00 13 T 8.57 3.94 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 14 N 8.61 4.57 0.00 2.81 2.85 0.00 0.00 7.03 7.99 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 15 Y 8.51 3.89 0.00 3.01 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 16 I 7.80 4.01 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.54 0.93 0.00 0.00 17 Q 7.76 4.14 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 18 A 8.02 4.03 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 19 I 7.85 3.62 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 1.56 0.79 0.93 0.00 0.00 20 A 7.64 3.97 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 21 A 7.72 3.85 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 22 A 7.99 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 23 G 8.68 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.59 2.24 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 0.96 0.00 0.00 0.98 0.00 0.00 25 G 7.82 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 0.00 0.00 0.00 0.00 26 V 7.49 3.56 2.21 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 0.97 0.00 0.00 0.98 0.00 0.00 27 L 7.50 3.86 0.00 1.56 1.69 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 28 A 9.42 4.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 3.99 0.00 1.81 1.72 0.93 0.90 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 30 A 8.93 4.01 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 31 I 8.72 3.76 2.00 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 1.46 1.38 0.93 0.00 0.00 32 G 7.76 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 4.36 0.00 1.88 2.02 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.95 4.20 0.00 3.93 3.97 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 35 A 7.96 4.23 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 36 A 7.69 4.07 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 37 W 9.14 4.00 0.00 3.66 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 38 K 8.26 4.03 0.00 2.14 1.91 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.55 7.81 39 Y 8.12 4.26 0.00 3.25 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 40 A 8.03 4.12 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 41 K 7.59 3.83 0.00 1.64 1.62 0.00 0.89 0.00 0.00 1.06 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 42 R 8.57 3.86 0.00 1.38 1.16 0.00 3.01 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 43 F 8.50 4.08 0.00 2.65 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 44 L 7.97 4.18 0.00 1.62 1.75 0.94 0.95 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 45 K 7.52 4.08 0.00 1.81 1.82 0.00 1.54 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.46 7.81 46 G 7.53 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00