NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3869 8.1233 122.4662 52.0185 20.5094 175.8187 2 S 5.2293 8.7980 115.0056 54.5322 65.2058 170.4906 3 C 5.0980 9.0794 116.8958 54.3368 45.8796 172.9581 4 R 4.4408 8.8529 115.6518 57.4121 31.9000 176.5120 5 T 4.7554 7.8147 106.3522 58.8661 71.6902 173.0294 6 P 4.4197 0.0000 0.0000 64.5123 31.7799 178.2678 7 K 4.1221 7.9357 119.1320 58.3217 32.4080 177.6779 8 D 4.5913 7.8665 117.1756 56.2940 41.0895 176.4985 9 C 4.5049 7.9915 118.7244 57.6023 39.3472 174.8183 10 A 4.0359 7.7353 121.8967 55.4168 17.4802 179.2482 11 D 4.3508 7.9817 117.3661 56.9277 41.2757 177.0687 12 P 4.2656 0.0000 0.0000 66.0041 31.2790 178.8064 13 C 4.3130 8.7742 118.7488 59.1753 37.8362 175.1332 14 R 3.8526 7.9023 119.8224 57.9555 29.4334 177.8841 15 K 4.0703 7.4273 118.4293 58.7013 32.7037 177.5881 16 E 4.2476 8.4240 117.1376 58.2405 30.1495 177.6387 17 T 4.3490 8.5104 108.1804 64.6014 70.2959 174.4239 18 G 3.7182 7.2672 110.8687 44.3064 0.0000 172.9396 19 C 4.9597 7.3087 117.2812 54.5226 43.7485 172.5508 20 P 4.5189 0.0000 0.0000 62.5149 30.4253 177.3512 21 Y 4.7973 7.5789 117.0928 57.3946 39.3079 176.4740 22 G 4.5928 8.4071 109.5774 44.7067 0.0000 170.0634 23 K 4.6431 8.8443 122.1499 54.6915 35.1540 175.1116 24 C 5.1805 8.6790 124.2772 55.6312 40.7184 171.3064 25 M 4.2805 8.7823 121.3616 53.6598 31.5043 175.8434 26 N 4.0724 9.2764 125.7089 54.6247 37.8397 173.7350 27 R 3.9455 8.0547 109.1357 57.1876 27.7298 176.2313 28 K 4.9601 7.5904 114.3108 54.7768 36.6424 176.0476 29 C 4.3341 9.2126 122.7135 57.2340 40.1547 173.4700 30 K 4.3086 8.8273 125.3521 55.2238 30.8346 175.5914 31 C 5.0288 8.3085 123.6235 56.5580 45.0729 171.2886 32 N 5.0774 8.6884 121.0700 52.6047 42.1953 173.0885 33 R 4.5020 8.6064 115.6824 54.6349 31.9092 174.9735 34 C 3.9338 8.2531 111.5859 55.3246 42.9478 173.5746 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 A 8.12 4.39 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 2 S 8.80 5.23 0.00 3.94 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 3 C 9.08 5.10 0.00 3.18 3.03 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 4 R 8.85 4.44 0.00 1.95 1.97 0.00 3.20 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 5 T 7.81 4.76 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 6 P 0.00 4.42 0.00 2.20 2.29 0.00 3.59 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 2.10 2.12 0.00 7 K 7.94 4.12 0.00 1.84 1.80 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.53 7.81 8 D 7.87 4.59 0.00 2.82 2.71 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 9 C 7.99 4.50 0.00 2.96 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 10 A 7.74 4.04 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 11 D 7.98 4.35 0.00 2.71 2.71 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 12 P 0.00 4.27 0.00 2.26 2.31 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.03 0.00 13 C 8.77 4.31 0.00 3.07 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 14 R 7.90 3.85 0.00 1.93 1.99 0.00 3.12 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 15 K 7.43 4.07 0.00 1.86 1.96 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.47 7.81 16 E 8.42 4.25 0.00 2.13 2.05 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 2.36 2.30 0.00 17 T 8.51 4.35 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 1.24 0.00 0.00 18 G 7.27 3.72 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 0.00 0.00 0.00 19 C 7.31 4.96 0.00 2.50 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.52 0.00 2.24 2.12 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 21 Y 7.58 4.80 0.00 2.88 2.87 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 0.00 0.00 0.00 22 G 8.41 4.59 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 0.00 0.00 0.00 23 K 8.84 4.64 0.00 1.69 1.70 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.48 7.81 24 C 8.68 5.18 0.00 3.05 3.01 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 0.00 0.00 0.00 25 M 8.78 4.28 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 26 N 9.28 4.07 0.00 2.82 2.84 0.00 0.00 7.30 7.65 0.00 0.00 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 R 8.05 3.95 0.00 2.06 2.04 0.00 3.28 0.00 0.00 3.51 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 28 K 7.59 4.96 0.00 1.86 1.64 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.54 7.81 29 C 9.21 4.33 0.00 2.96 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 30 K 8.83 4.31 0.00 1.70 1.77 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.53 7.81 31 C 8.31 5.03 0.00 3.00 2.99 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 0.00 32 N 8.69 5.08 0.00 2.79 2.94 0.00 0.00 7.20 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 33 R 8.61 4.50 0.00 1.88 1.88 0.00 3.13 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 34 C 8.25 3.93 0.00 2.85 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00