NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.8751 8.1293 121.7013 56.7990 40.1518 175.6218 2 P 4.2054 0.0000 0.0000 62.2220 32.5321 171.1840 3 S 3.9459 8.7570 112.6949 56.9070 62.9828 174.5795 4 K 5.1478 7.4270 130.8428 57.4985 31.7213 174.0175 5 P 4.4795 0.0000 0.0000 61.9225 32.4037 175.0038 6 D 4.6126 8.0108 114.2227 54.6656 42.5242 174.3819 7 N 4.5022 8.0955 122.6228 51.9728 41.6684 173.0900 8 P 4.4986 0.0000 0.0000 61.6863 33.1095 175.7695 9 G 3.8921 8.4547 107.1825 46.4526 0.0000 171.5389 10 E 4.7301 8.1574 118.2561 54.6380 32.9410 174.2895 11 D 4.8909 8.4630 118.6705 54.1930 41.3397 177.6216 12 A 4.5277 7.1248 116.4815 51.2978 21.2403 174.5328 13 P 4.3574 0.0000 0.0000 62.1996 32.7374 178.0218 14 A 4.5611 7.8505 124.3332 52.2531 20.3807 175.6358 15 E 4.6581 7.5297 117.9879 56.0347 30.8822 178.3490 16 D 4.3816 8.0768 119.1846 57.9955 41.1505 178.3883 17 L 4.3463 7.9898 118.4638 57.4280 41.5253 179.3085 18 A 4.1880 7.9693 120.1516 55.0065 18.7283 179.2437 19 R 4.0219 8.3904 117.4057 59.8305 30.4533 178.0237 20 Y 4.3196 8.1014 118.8742 60.2742 38.0801 177.6115 21 Y 3.5333 7.7017 120.2652 60.9463 38.9432 177.8013 22 S 4.2276 8.1384 113.1611 60.8941 62.3649 175.9409 23 A 3.9867 7.6705 123.3660 55.3301 18.2043 179.4801 24 L 4.0976 7.2564 116.3038 57.9213 41.4626 179.8584 25 R 3.9102 7.7554 118.4296 59.7196 29.8089 177.8038 26 H 4.1119 7.9501 116.7558 59.5863 29.9262 176.4957 27 Y 4.0151 7.8318 117.6939 61.2316 37.4511 178.3492 28 I 3.9235 8.0726 119.5705 63.2313 37.0196 177.2005 29 N 4.7051 8.0685 116.4732 53.8981 38.7588 175.6664 30 L 4.1106 7.9403 120.1829 55.6765 41.9971 177.2184 31 A 4.1798 7.3008 121.5297 51.5209 19.3322 176.0557 32 P 4.4714 0.0000 0.0000 64.2987 30.5190 178.3733 33 R 3.5992 7.4033 113.5661 58.1080 28.4614 175.1855 34 Q 4.7632 7.6559 121.6557 55.0918 29.2334 176.0729 35 R 4.4289 7.8725 111.4668 57.7433 31.0265 174.9663 36 Y 4.2575 7.8190 122.7113 57.5792 39.1070 174.1317 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 Y 8.13 4.88 0.00 2.76 3.11 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 2 P 0.00 4.21 0.00 2.15 1.95 0.00 2.65 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 3 S 8.76 3.95 0.00 4.01 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 0.00 4 K 7.43 5.15 0.00 1.88 1.89 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.21 1.16 7.81 5 P 0.00 4.48 0.00 2.21 2.10 0.00 3.88 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 2.03 1.98 0.00 6 D 8.01 4.61 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.10 4.50 0.00 2.63 2.59 0.00 0.00 7.25 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.50 0.00 2.19 2.05 0.00 3.82 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 1.96 1.92 0.00 9 G 8.45 3.89 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 0.00 0.00 0.00 10 E 8.16 4.73 0.00 1.94 1.74 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 2.26 2.30 0.00 11 D 8.46 4.89 0.00 2.68 2.66 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 0.00 0.00 0.00 0.00 12 A 7.12 4.53 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.36 0.00 2.20 2.10 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 14 A 7.85 4.56 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 15 E 7.53 4.66 0.00 2.04 1.95 0.00 0.00 0.00 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 2.27 0.00 16 D 8.08 4.38 0.00 2.74 2.69 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 17 L 7.99 4.35 0.00 1.87 1.90 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.97 4.19 1.37 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 0.00 0.00 19 R 8.39 4.02 0.00 2.09 2.02 0.00 3.16 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 20 Y 8.10 4.32 0.00 3.23 3.27 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 21 Y 7.70 3.53 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 22 S 8.14 4.23 0.00 3.99 3.87 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 23 A 7.67 3.99 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 24 L 7.26 4.10 0.00 1.66 1.65 0.29 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.76 3.91 0.00 1.90 1.99 0.00 3.15 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 26 H 7.95 4.11 0.00 3.14 3.44 0.00 5.83 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.83 4.02 0.00 3.26 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.07 3.92 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.94 0.00 0.00 29 N 8.07 4.71 0.00 2.86 2.87 0.00 0.00 7.01 8.67 0.00 0.00 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 L 7.94 4.11 0.00 1.78 1.72 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.30 4.18 1.31 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 0.00 0.00 32 P 0.00 4.47 0.00 2.19 2.12 0.00 3.92 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 33 R 7.40 3.60 0.00 1.87 1.93 0.00 3.19 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 34 Q 7.66 4.76 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.52 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 35 R 7.87 4.43 0.00 1.81 1.99 0.00 3.25 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 36 Y 7.82 4.26 0.00 2.95 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00