NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6207 8.3049 120.6172 55.2736 33.4192 175.2113 2 Q 4.1634 8.5375 124.8358 55.4856 30.3155 173.7822 3 S 5.1579 8.1884 115.6249 57.1680 65.8930 172.6178 4 I 4.9004 9.1496 120.2375 59.4189 41.8578 173.7300 5 N 5.5972 8.3995 119.4460 50.6136 39.7098 175.7158 6 F 4.1273 9.0081 120.6801 61.5938 39.1139 176.9409 7 R 3.7682 8.1420 117.5789 59.8700 30.0563 178.5043 8 T 3.8295 8.5478 115.5252 66.3676 68.4883 176.6454 9 A 3.8913 7.9560 122.7171 55.2198 18.2325 179.6860 10 R 3.8020 7.5843 116.1514 59.1120 30.1198 178.3171 11 G 3.8760 7.4756 103.7187 45.7326 0.0000 173.8318 12 N 5.0637 7.8260 117.6157 52.0378 40.4634 176.1397 13 L 3.8914 7.6944 122.2526 58.4576 41.9344 178.8665 14 S 4.1098 7.9464 113.6559 61.4522 63.0711 176.2198 15 E 3.9529 8.0674 121.7933 58.9057 29.2266 179.2249 16 V 3.5647 8.0526 118.6005 66.1774 31.6172 178.2011 17 L 3.9943 8.2358 118.8495 57.7344 41.3972 179.3553 18 N 4.3561 8.1539 116.7542 56.3158 38.4121 177.2254 19 N 4.3817 8.3459 118.0282 56.0345 38.4874 177.7219 20 V 3.9490 7.8957 121.1788 65.6043 31.4496 177.6809 21 E 3.9321 8.0903 116.8592 59.5483 29.4664 178.7074 22 A 4.3176 7.5754 117.0374 52.4705 18.5692 177.9201 23 G 3.9847 8.2098 108.7409 45.5548 0.0000 174.6255 24 E 4.4540 8.4627 118.1049 55.9303 31.8764 179.7314 25 E 4.8287 8.6566 120.0843 54.9852 32.1425 175.0218 26 V 4.6791 8.5146 124.7405 60.9968 34.0162 173.9889 27 E 4.7566 9.3112 130.5044 55.7960 31.1851 175.0351 28 I 5.0919 9.1834 127.7579 59.6407 40.5512 174.4542 29 T 4.8218 8.9172 117.5148 59.8595 71.1601 173.7554 30 R 4.4328 8.5798 125.6104 54.9783 32.0138 176.0883 31 R 3.9154 8.5000 122.3941 58.5706 30.0216 176.8127 32 G 3.9658 9.0183 114.6184 45.3420 0.0000 172.9443 33 R 4.4506 7.3397 117.9750 54.3714 31.6517 176.0096 34 E 4.1206 8.3847 119.1675 55.8814 29.9889 175.6685 35 P 4.7165 0.0000 0.0000 62.6902 32.4068 175.4316 36 A 4.8916 8.8451 123.8714 50.2657 22.4724 175.5324 37 V 4.8469 8.1743 117.8104 61.1186 34.9374 174.3643 38 I 4.6364 8.7315 127.8252 59.2507 40.2684 174.5352 39 V 4.9324 8.0796 127.1375 59.9164 34.6870 174.3828 40 S 4.1801 8.6413 116.5910 58.1729 63.5547 175.2043 41 K 3.9013 8.8582 124.1515 59.7624 31.9705 178.8247 42 A 3.9862 7.9289 120.5284 55.2409 18.3042 179.6719 43 T 3.4762 7.5778 114.3365 66.6010 68.4767 176.5837 44 F 4.0265 8.1357 122.5286 61.5552 39.3212 177.0618 45 E 3.8176 8.6300 118.1493 59.1456 29.2159 179.2306 46 A 3.9891 7.7702 120.4450 55.3943 18.4438 179.3757 47 Y 4.2427 7.9750 115.3718 61.0581 37.9551 178.4392 48 K 3.7564 7.9999 120.7712 59.2021 32.1820 178.5452 49 K 3.8456 8.1528 119.6496 59.6026 32.1440 178.5048 50 A 3.9672 8.0702 120.6329 55.0526 18.4264 179.1988 51 A 3.9236 8.3816 119.6858 55.4610 18.3529 179.8870 52 L 4.1790 7.9980 117.1792 58.3015 41.5482 179.6092 53 D 4.4484 8.1852 117.2691 57.1492 40.7342 178.4669 54 A 4.1589 8.0030 123.3363 55.7236 18.4796 179.7353 55 E 3.9244 7.8174 115.0556 59.4812 29.9484 178.5948 56 F 4.7369 8.2578 121.4011 57.7731 39.5495 174.9292 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 4.62 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 2 Q 8.54 4.16 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 3 S 8.19 5.16 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.15 4.90 1.87 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 1.51 0.68 0.91 0.00 0.00 5 N 8.40 5.60 0.00 2.92 3.02 0.00 0.00 6.35 8.12 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 6 F 9.01 4.13 0.00 3.13 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 7 R 8.14 3.77 0.00 2.07 2.09 0.00 3.35 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 1.70 1.30 0.00 8 T 8.55 3.83 4.33 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 1.19 0.00 0.00 9 A 7.96 3.89 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 10 R 7.58 3.80 0.00 1.39 1.64 0.00 3.37 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 11 G 7.48 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 N 7.83 5.06 0.00 2.88 2.71 0.00 0.00 6.44 6.03 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 13 L 7.69 3.89 0.00 1.90 1.63 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.95 4.11 0.00 4.07 4.08 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 15 E 8.07 3.95 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 16 V 8.05 3.56 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.94 0.00 0.00 17 L 8.24 3.99 0.00 1.82 1.69 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.15 4.36 0.00 2.92 2.85 0.00 0.00 6.91 6.62 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 19 N 8.35 4.38 0.00 2.92 2.86 0.00 0.00 6.64 7.26 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 20 V 7.90 3.95 2.22 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 1.43 0.00 0.00 0.99 0.00 0.00 21 E 8.09 3.93 0.00 2.21 2.01 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 2.34 2.34 0.00 22 A 7.58 4.32 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 23 G 8.21 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 4.45 0.00 1.67 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 25 E 8.66 4.83 0.00 1.94 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 2.36 2.33 0.00 26 V 8.51 4.68 2.08 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 1.03 0.00 0.00 0.93 0.00 0.00 27 E 9.31 4.76 0.00 2.08 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 2.31 2.43 0.00 28 I 9.18 5.09 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.57 1.00 0.00 0.00 29 T 8.92 4.82 4.27 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 1.24 0.00 0.00 30 R 8.58 4.43 0.00 1.74 1.77 0.00 2.70 0.00 0.00 2.66 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 31 R 8.50 3.92 0.00 2.03 1.87 0.00 3.37 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.21 0.00 32 G 9.02 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 0.00 0.00 0.00 33 R 7.34 4.45 0.00 1.81 1.85 0.00 3.11 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 34 E 8.38 4.12 0.00 1.96 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 2.31 2.28 0.00 35 P 0.00 4.72 0.00 1.95 2.14 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 36 A 8.85 4.89 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 37 V 8.17 4.85 2.12 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 0.87 0.00 0.00 0.97 0.00 0.00 38 I 8.73 4.64 1.84 0.00 0.00 0.83 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 1.26 0.97 0.00 0.00 39 V 8.08 4.93 2.11 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 0.79 0.00 0.00 0.93 0.00 0.00 40 S 8.64 4.18 0.00 4.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 3.90 0.00 1.84 1.86 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.55 1.60 7.81 42 A 7.93 3.99 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 43 T 7.58 3.48 4.23 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 0.52 0.00 0.00 44 F 8.14 4.03 0.00 3.04 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 3.82 0.00 2.00 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 2.64 2.52 0.00 46 A 7.77 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 47 Y 7.98 4.24 0.00 2.83 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 48 K 8.00 3.76 0.00 1.52 1.60 0.00 1.50 0.00 0.00 0.83 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.05 7.81 49 K 8.15 3.85 0.00 2.02 2.02 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.52 7.81 50 A 8.07 3.97 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 51 A 8.38 3.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 4.18 0.00 1.98 1.89 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.19 4.45 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 4.16 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 55 E 7.82 3.92 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 56 F 8.26 4.74 0.00 3.05 2.89 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