NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.1388 8.2876 121.4725 57.1108 29.1721 177.9423 4 V 2.8723 7.5941 118.1126 62.6167 34.4033 173.6675 5 C 4.6553 8.9355 120.3876 56.5422 41.5225 175.7090 6 S 4.5316 7.7733 112.8727 57.8293 64.1763 174.1525 7 E 4.1520 7.5474 121.9152 55.8663 29.9848 176.3397 8 Q 3.9411 8.3097 122.6772 55.3576 29.3932 176.2773 9 A 3.2801 7.7934 123.9478 52.0975 17.7184 176.7371 10 E 4.5757 8.1115 122.2634 55.6211 31.2343 177.1830 11 T 4.2814 8.6149 114.0208 62.6134 69.4777 175.6294 12 G 4.0587 8.1504 109.7563 44.0128 0.0000 170.9662 13 P 4.4093 0.0000 0.0000 64.8006 32.1191 177.5341 14 C 4.5729 7.8732 116.0922 56.6986 40.8674 173.3739 15 K 4.4444 8.2104 118.7952 56.2725 32.4927 176.6760 16 A 4.3139 7.7403 121.6770 51.6259 20.8026 177.4810 17 M 5.0398 8.2852 117.6222 53.7691 33.0929 172.5210 18 I 4.5598 8.7608 124.4836 58.7079 40.1538 174.8994 19 S 4.4167 8.8527 123.8269 58.9387 63.3573 173.7482 20 R 4.8997 8.3234 122.7013 54.8043 35.3863 173.7689 21 W 5.7731 9.7493 119.5606 55.4764 33.1854 174.5338 22 Y 5.6203 9.3589 119.7512 55.5852 41.7037 173.4359 23 F 4.5759 9.8737 123.4808 57.1281 40.9075 174.3683 24 D 4.6511 7.3464 125.9946 52.5910 41.6742 177.3684 25 V 3.8368 8.6192 120.6263 64.8343 31.9334 178.0964 26 T 4.0592 7.8873 115.7838 66.2237 68.3871 175.6072 27 E 4.0002 8.1772 119.1690 56.6300 29.9360 177.4241 28 G 3.8951 8.5979 105.8137 45.3108 0.0000 172.7473 29 K 4.3726 6.4070 117.0205 55.6469 35.7132 175.1526 30 C 4.8708 8.6160 117.9627 56.8444 41.9097 173.1465 31 A 5.0605 8.6066 123.1658 49.6576 22.5187 173.8112 32 P 4.3391 0.0000 0.0000 62.2406 32.7484 175.2854 33 F 4.5786 8.6810 116.2181 56.2320 41.8963 172.5187 34 F 5.2671 8.5727 117.8916 56.0200 40.4276 174.7554 35 Y 4.9077 8.7394 125.6366 56.0439 40.7883 176.2570 36 G 4.2714 8.2177 112.4752 45.7229 0.0000 175.0574 37 G 3.9599 6.8995 107.7084 45.2673 0.0000 172.3376 38 C 4.8964 7.1224 112.1072 54.6091 45.2248 175.7214 39 G 3.5497 9.4014 108.4176 48.1994 0.0000 173.1046 40 G 4.0305 9.4654 109.8362 46.0160 0.0000 170.6736 41 N 4.8994 8.1682 119.4259 52.0150 39.8837 174.1996 42 R 3.9719 8.3883 115.3159 58.1027 31.0295 176.9584 43 N 4.5605 8.0542 118.7606 51.3860 37.1749 175.1628 44 N 4.9181 6.3037 116.1636 53.1636 40.4886 172.8823 45 F 5.2184 9.6174 124.8782 55.2987 42.5696 176.5123 46 D 4.7343 9.0841 121.3951 56.0753 39.9728 177.4933 47 T 4.6074 7.8641 115.7935 60.5869 73.5443 173.9195 48 E 2.9519 7.3012 125.3987 58.9775 29.3722 178.9403 49 E 3.7680 7.6727 117.8665 59.6739 29.6007 178.5602 50 Y 4.1556 7.8391 118.7935 60.7402 38.8777 178.3882 51 C 2.8001 8.2374 119.6646 59.5844 41.9825 175.4902 52 M 3.8918 7.9887 120.1271 58.1674 31.2739 178.4263 53 A 3.8221 7.8629 120.2622 55.3857 18.6396 179.6397 54 V 3.4807 7.3548 115.2046 64.8826 31.5889 175.9711 55 C 4.4077 7.5378 113.2628 56.2554 42.2263 174.2812 56 G 3.7309 7.9388 108.6572 45.0118 0.0000 173.8802 57 S 4.2704 8.0029 112.1284 56.2951 62.4370 173.1050 58 A 4.2698 8.1261 128.7434 50.5677 19.9441 177.8095 59 I 3.6499 8.2037 118.8553 62.0849 37.4188 174.5723 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 3 E 8.29 4.14 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 4 V 7.59 2.87 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 0.68 0.00 0.00 1.03 0.00 0.00 5 C 8.94 4.66 0.00 2.85 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 6 S 7.77 4.53 0.00 3.99 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 7 E 7.55 4.15 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 2.31 2.28 0.00 8 Q 8.31 3.94 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 9 A 7.79 3.28 -0.36 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 10 E 8.11 4.58 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 11 T 8.61 4.28 4.53 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 1.33 0.00 0.00 12 G 8.15 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 13 P 0.00 4.41 0.00 2.16 2.18 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 14 C 7.87 4.57 0.00 2.97 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 15 K 8.21 4.44 0.00 1.67 1.75 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.36 7.81 16 A 7.74 4.31 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 M 8.29 5.04 0.00 1.78 1.76 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.91 0.00 18 I 8.76 4.56 2.09 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 1.26 0.57 1.00 0.00 0.00 19 S 8.85 4.42 0.00 3.81 3.77 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 20 R 8.32 4.90 0.00 0.97 1.95 0.00 3.15 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 21 W 9.75 5.77 0.00 3.44 3.25 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 0.00 0.00 0.00 0.00 22 Y 9.36 5.62 0.00 3.25 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 23 F 9.87 4.58 0.00 2.99 3.21 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 24 D 7.35 4.65 0.00 2.39 2.26 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 25 V 8.62 3.84 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.98 0.00 0.00 26 T 7.89 4.06 4.42 0.00 0.00 0.00 0.00 0.00 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 27 E 8.18 4.00 0.00 1.72 1.88 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 2.53 2.16 0.00 28 G 8.60 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 29 K 6.41 4.37 0.00 1.71 1.79 0.00 1.46 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.27 7.81 30 C 8.62 4.87 0.00 2.86 3.22 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 0.00 31 A 8.61 5.06 1.05 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 32 P 0.00 4.34 0.00 1.37 0.66 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.22 0.00 33 F 8.68 4.58 0.00 2.94 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.57 5.27 0.00 2.96 2.90 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 0.00 0.00 0.00 35 Y 8.74 4.91 0.00 2.55 2.74 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 36 G 8.22 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 0.00 0.00 0.00 0.00 37 G 6.90 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 38 C 7.12 4.90 0.00 3.04 2.98 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 39 G 9.40 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 0.00 0.00 0.00 40 G 9.47 4.03 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 0.00 0.00 0.00 41 N 8.17 4.90 0.00 2.82 2.78 0.00 0.00 5.89 7.66 0.00 0.00 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 R 8.39 3.97 0.00 1.77 1.95 0.00 3.19 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 43 N 8.05 4.56 0.00 3.02 2.87 0.00 0.00 6.88 7.41 0.00 0.00 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 N 6.30 4.92 0.00 2.59 2.47 0.00 0.00 7.09 7.02 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 45 F 9.62 5.22 0.00 3.34 3.22 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 0.00 46 D 9.08 4.73 0.00 2.90 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 47 T 7.86 4.61 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 48 E 7.30 2.95 0.00 1.16 1.12 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 0.00 1.91 1.74 0.00 49 E 7.67 3.77 0.00 2.01 1.92 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 2.33 2.33 0.00 50 Y 7.84 4.16 0.00 2.97 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.24 2.80 0.00 2.94 3.07 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 52 M 7.99 3.89 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.71 0.00 53 A 7.86 3.82 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 54 V 7.35 3.48 1.13 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 0.78 0.00 0.00 0.03 0.00 0.00 55 C 7.54 4.41 0.00 2.62 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 0.00 0.00 0.00 56 G 7.94 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 57 S 8.00 4.27 0.00 3.71 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.13 4.27 1.22 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 0.00 0.00 0.00 59 I 8.20 3.65 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.47 0.90 0.00 0.00