NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3853 8.1633 120.3428 55.6305 34.4787 177.6215 2 E 3.4982 8.0505 117.9579 58.9835 29.6253 177.3062 3 T 4.0831 8.7613 116.5783 67.0331 68.9003 175.8890 4 I 3.7269 7.7569 120.7683 64.9055 37.1848 178.4845 5 T 3.8541 7.4553 116.0552 66.6762 68.3179 176.4647 6 Y 4.3115 7.8813 119.0544 61.2335 37.9949 178.7377 7 V 3.7323 8.3799 119.6360 65.8308 31.5149 177.5180 8 F 4.2637 8.5850 120.6207 61.6449 39.1626 176.9695 9 I 3.4201 7.7997 118.6218 64.3273 36.9710 178.0054 10 F 4.0258 8.1999 120.6581 61.5043 39.3795 177.0167 11 A 3.8724 8.6303 120.4395 55.3700 18.0536 179.4125 12 C 3.9357 7.9468 115.5953 62.6889 28.0669 176.3414 13 I 3.4655 7.5386 121.7346 64.2275 36.6166 178.5071 14 I 3.0633 7.1474 120.3923 63.8134 36.7830 178.3051 15 A 3.9379 7.6456 121.2607 55.1086 18.2643 178.9712 16 L 4.0194 7.9983 118.7745 58.8205 42.0121 178.9348 17 F 4.2823 8.5428 117.6593 61.3114 38.9045 177.1962 18 F 4.2229 8.5298 119.3909 62.1219 39.0226 177.0325 19 F 3.8663 8.4416 116.4510 60.6354 38.6254 177.8253 20 A 4.0573 8.4097 119.7768 55.1415 18.2657 179.5710 21 I 3.5924 7.6019 117.2849 64.1032 37.3749 177.9577 22 F 4.8381 7.8072 115.2617 57.4688 39.5231 175.8553 23 F 4.8645 8.6140 118.5742 56.8901 39.9457 174.9958 24 R 4.2953 8.0143 117.1118 55.2871 30.8929 175.0374 25 E 4.2925 8.4397 117.7268 54.5571 29.7216 174.9780 26 P 4.0310 0.0000 0.0000 62.4672 31.7258 174.4803 27 P 4.4351 0.0000 0.0000 62.2399 30.6113 175.6792 28 R 4.3261 8.2086 123.3183 55.0689 31.5079 176.9814 29 I 3.9783 8.1867 115.4532 60.5707 38.6278 179.5284 30 T 3.0946 7.7808 107.2018 63.4869 71.8522 174.0107 31 K 4.3068 7.2934 127.4304 55.0487 30.2951 177.4122 32 K 4.1441 7.9707 122.8212 56.1786 32.3303 175.6681 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 8.16 4.39 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 2 E 8.05 3.50 0.00 2.23 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 2.44 2.45 0.00 3 T 8.76 4.08 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 1.27 0.00 0.00 4 I 7.76 3.73 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.60 0.83 0.00 0.00 5 T 7.46 3.85 3.94 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 1.12 0.00 0.00 6 Y 7.88 4.31 0.00 3.14 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 7 V 8.38 3.73 2.18 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 0.98 0.00 0.00 1.01 0.00 0.00 8 F 8.59 4.26 0.00 3.16 3.30 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 9 I 7.80 3.42 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.81 0.92 0.00 0.00 10 F 8.20 4.03 0.00 3.23 3.31 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 11 A 8.63 3.87 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 12 C 7.95 3.94 0.00 2.80 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 13 I 7.54 3.47 1.46 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.33 0.00 0.00 14 I 7.15 3.06 1.53 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.44 0.81 0.00 0.00 15 A 7.65 3.94 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 4.02 0.00 1.90 1.95 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.54 4.28 0.00 3.21 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 18 F 8.53 4.22 0.00 3.04 3.09 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 19 F 8.44 3.87 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 4.06 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 21 I 7.60 3.59 1.16 0.00 0.00 0.61 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 0.45 -0.01 0.00 0.00 22 F 7.81 4.84 0.00 2.66 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 23 F 8.61 4.86 0.00 3.13 3.12 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 0.00 0.00 0.00 24 R 8.01 4.30 0.00 1.91 2.18 0.00 2.99 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 25 E 8.44 4.29 0.00 1.98 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 2.29 2.33 0.00 26 P 0.00 4.03 0.00 2.01 2.01 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 27 P 0.00 4.44 0.00 2.16 2.09 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 28 R 8.21 4.33 0.00 1.81 1.88 0.00 3.35 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 29 I 8.19 3.98 1.86 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 1.46 0.50 0.90 0.00 0.00 30 T 7.78 3.09 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 31 K 7.29 4.31 0.00 1.79 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.37 7.81 32 K 7.97 4.14 0.00 1.79 1.62 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.44 7.81