NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1596 8.0327 115.2471 60.7205 68.2967 176.4930 2 I 3.4615 8.4623 120.7339 60.7107 36.8933 172.5964 3 D 4.4801 8.3707 119.4199 58.2365 42.0311 177.4662 4 Q 4.0795 8.7162 117.7246 58.5792 29.6173 179.3045 5 W 3.4173 10.6227 119.4509 57.2285 31.2978 176.0591 6 L 3.6337 10.5957 115.7064 55.7235 41.3598 175.6009 7 L 3.3947 12.0000 117.5911 54.5602 41.6616 174.4677 8 K 4.3344 7.6223 116.7127 57.3437 31.2231 176.1899 9 N 4.6391 7.7327 116.1244 54.6253 39.6095 176.2100 10 A 4.2912 7.6059 120.1865 51.2857 18.3504 178.5040 11 K 3.7309 6.9260 116.2010 60.5837 31.6519 178.2239 12 E 3.7534 7.9195 117.8326 59.2048 29.9713 178.5105 13 D 4.7216 8.1196 117.3076 57.7623 41.0374 178.7881 14 A 4.0873 8.0802 120.6909 55.3562 18.4697 179.4797 15 I 3.1457 7.6954 117.7757 64.6506 36.8302 178.4168 16 A 3.9664 8.7949 121.5114 54.1312 18.2300 178.1287 17 E 4.4190 8.8615 116.6824 56.3658 30.2030 176.8128 18 L 4.4820 8.1283 118.7332 57.8645 42.4408 178.2502 19 K 3.9878 8.7618 117.6483 59.7411 31.7816 177.2592 20 K 4.1183 8.1696 119.0983 58.6354 32.5600 178.2107 21 A 4.0788 8.1179 121.5653 53.4797 18.3509 177.8288 22 G 4.1084 7.6656 102.1814 45.6422 0.0000 174.4016 23 I 3.9890 7.5209 120.9029 61.3808 37.5072 175.5676 24 T 4.4262 8.1931 113.3403 60.9951 69.7586 174.2340 25 S 4.1605 7.6747 118.2622 59.3083 63.4226 174.6604 26 D 4.6435 8.3949 121.8859 55.5947 40.8909 178.1386 27 F 4.2652 7.9383 119.5017 59.6094 39.5413 175.0533 28 Y 5.2335 7.6801 114.0602 60.4783 38.3173 177.2885 29 F 4.9716 7.8927 117.9728 60.5190 39.0912 177.8253 30 N 4.3271 8.6845 116.3083 56.3259 38.1628 177.1136 31 A 4.1925 7.8606 119.9162 53.5126 18.2798 179.3181 32 I 3.7549 7.5434 119.4046 64.3645 37.3115 178.1234 33 N 4.5833 7.4340 114.4292 54.3960 37.3838 176.0400 34 K 4.0623 7.5080 116.9140 58.1593 32.5578 176.5689 35 A 4.0238 7.1976 120.4303 52.1476 18.3670 176.5811 36 K 4.5677 8.3248 116.5134 57.9583 33.4348 177.8984 37 T 4.1407 7.1067 107.7540 59.2386 71.8531 174.2331 38 V 3.4752 7.9911 118.7693 66.5515 31.4925 178.3055 39 E 3.9641 8.1509 118.2587 59.1709 29.1977 179.0514 40 E 4.0834 7.9085 118.3612 58.8306 29.6809 179.0923 41 V 3.5342 7.7117 118.3902 66.2226 31.5320 177.9893 42 N 4.3663 8.3059 115.1231 56.0872 38.5880 177.0781 43 A 4.1253 7.9233 122.0809 54.9450 18.4731 179.5554 44 L 3.9318 7.9265 117.5342 58.0997 41.5557 179.9748 45 K 3.9364 7.8889 117.7980 59.4737 31.6335 178.9045 46 N 4.2690 7.9426 115.7804 55.3587 38.2768 176.8554 47 E 4.1432 8.0723 121.1062 58.7114 29.6523 178.3042 48 I 2.8914 6.8844 119.7205 64.0224 36.7603 177.9051 49 L 4.0528 7.1672 120.2943 57.2035 41.8758 177.6196 50 K 4.4391 7.7611 114.6871 56.2269 34.4907 176.1682 51 A 4.6027 9.7398 120.5760 51.6814 18.5671 176.3388 52 H 4.5240 7.5414 118.5214 56.6847 31.7400 174.0238 53 A 4.1673 8.0842 127.5614 52.0934 18.9617 175.5692 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 T 8.03 4.16 4.26 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 1.24 0.00 0.00 2 I 8.46 3.46 1.94 0.00 0.00 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 1.37 1.25 1.01 0.00 0.00 3 D 8.37 4.48 0.00 2.76 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 4 Q 8.72 4.08 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.34 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 5 W 10.62 3.42 0.00 3.55 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 6 L 10.60 3.63 0.00 1.82 1.88 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 7 L 12.00 3.39 0.00 1.40 1.82 0.76 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.62 4.33 0.00 1.78 1.77 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 9 N 7.73 4.64 0.00 2.79 2.91 0.00 0.00 5.85 7.19 0.00 0.00 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 A 7.61 4.29 1.25 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 0.00 0.00 11 K 6.93 3.73 0.00 1.82 1.62 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.42 7.81 12 E 7.92 3.75 0.00 2.00 1.86 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 2.28 2.28 0.00 13 D 8.12 4.72 0.00 2.76 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 14 A 8.08 4.09 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 15 I 7.70 3.15 1.49 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.56 -1.30 0.00 0.00 16 A 8.79 3.97 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 17 E 8.86 4.42 0.00 1.86 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 0.00 2.28 2.35 0.00 18 L 8.13 4.48 0.00 2.71 1.89 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.76 3.99 0.00 2.03 2.01 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.66 7.81 20 K 8.17 4.12 0.00 1.87 1.81 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.46 7.81 21 A 8.12 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.67 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 0.00 0.00 0.00 0.00 23 I 7.52 3.99 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.59 0.90 0.00 0.00 24 T 8.19 4.43 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 1.23 0.00 0.00 25 S 7.67 4.16 0.00 3.61 3.37 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 26 D 8.39 4.64 0.00 2.77 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 27 F 7.94 4.27 0.00 2.97 2.55 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 28 Y 7.68 5.23 0.00 2.88 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 29 F 7.89 4.97 0.00 3.19 3.06 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 30 N 8.68 4.33 0.00 3.11 2.86 0.00 0.00 6.92 7.23 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 31 A 7.86 4.19 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.54 3.75 2.22 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 2.00 0.90 0.00 0.00 33 N 7.43 4.58 0.00 2.90 2.94 0.00 0.00 7.15 7.03 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 34 K 7.51 4.06 0.00 1.84 1.90 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.37 7.81 35 A 7.20 4.02 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 36 K 8.32 4.57 0.00 1.87 2.11 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.50 7.81 37 T 7.11 4.14 3.99 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 0.00 0.00 0.00 1.39 0.00 0.00 38 V 7.99 3.48 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 1.19 0.00 0.00 0.84 0.00 0.00 39 E 8.15 3.96 0.00 2.06 1.98 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 2.30 2.32 0.00 40 E 7.91 4.08 0.00 2.26 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 2.42 2.39 0.00 41 V 7.71 3.53 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 1.02 0.00 0.00 0.94 0.00 0.00 42 N 8.31 4.37 0.00 2.79 2.85 0.00 0.00 7.16 7.03 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 43 A 7.92 4.13 1.43 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 0.00 0.00 0.00 44 L 7.93 3.93 0.00 2.00 1.79 0.95 1.00 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 45 K 7.89 3.94 0.00 1.85 1.87 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 1.55 1.60 7.81 46 N 7.94 4.27 0.00 2.86 2.83 0.00 0.00 6.56 8.59 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 47 E 8.07 4.14 0.00 2.22 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 2.29 2.34 0.00 48 I 6.88 2.89 1.59 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.38 0.00 0.00 49 L 7.17 4.05 0.00 1.78 1.68 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.76 4.44 0.00 1.71 1.78 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.36 7.81 51 A 9.74 4.60 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 52 H 7.54 4.52 0.00 3.36 3.73 0.00 5.49 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.08 4.17 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