NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4562 8.1576 122.0541 56.6190 33.8615 174.2177 2 T 5.0250 8.4920 115.5591 59.7444 72.0475 172.3514 3 C 5.0801 9.2436 119.3039 55.2690 45.2310 173.7874 4 E 5.2740 8.8355 123.4408 54.6590 31.5773 174.1579 5 N 5.1665 9.1333 124.0541 52.3288 43.4102 173.0199 6 L 3.5708 7.6311 120.2933 54.0163 42.0455 177.6195 7 A 4.1811 8.3975 124.9260 52.3040 19.3612 176.5901 8 D 4.5509 9.6940 120.0966 53.7385 42.0672 176.8485 9 T 3.3489 8.3576 124.8060 64.5077 65.8545 172.1750 10 F 4.3247 8.0609 122.5104 57.0459 40.3755 174.5080 11 R 4.1525 7.8135 127.3577 55.9536 31.1513 177.2347 12 G 3.8318 8.5548 108.9732 43.8953 0.0000 170.9431 13 P 4.2832 0.0000 0.0000 62.5840 31.6502 177.1740 14 C 4.7120 8.6297 121.6418 55.5644 42.4514 173.1784 15 F 5.0986 8.5034 123.5133 57.3799 40.2119 176.1283 16 T 4.7039 7.7401 117.7190 60.9339 71.7989 174.0413 17 D 4.5314 9.2343 127.1671 57.6864 40.8435 179.2302 18 G 3.6899 8.1408 105.4435 47.8571 0.0000 175.7691 19 S 4.2626 8.0330 117.4800 61.5287 62.7778 175.9724 20 C 4.1533 8.1693 120.7486 59.6645 44.0212 174.6822 21 D 4.4009 8.4294 120.0967 57.4853 40.6438 177.8169 22 D 4.3093 8.3157 118.3092 57.6227 41.2593 177.4492 23 H 4.0989 8.3570 118.5797 59.7201 29.8104 176.3709 24 C 4.2923 8.6185 118.3752 60.0248 34.2220 176.4831 25 K 4.1644 8.2820 121.4049 58.8335 31.5114 178.7760 26 N 4.5925 8.2940 114.7577 54.1798 39.3403 176.5058 27 K 4.1108 7.9250 118.7919 57.9669 32.7652 177.4674 28 E 4.2869 7.7995 114.8344 55.7348 30.3147 175.4597 29 H 4.4967 7.7433 113.7530 56.5356 25.9337 174.2439 30 L 4.6758 7.7967 121.1329 53.7034 44.3210 177.4161 31 I 3.9772 8.4908 120.2166 64.2434 37.4563 176.5968 32 K 4.4789 7.7885 118.3615 56.7161 35.2721 173.5420 33 G 4.7003 9.3617 107.3911 45.3263 0.0000 172.2283 34 R 4.8799 8.7667 115.4617 54.7789 33.1147 173.8561 35 C 5.0020 9.1126 118.7073 57.1859 41.7186 173.3765 36 R 4.4752 8.4613 121.2223 53.9783 32.5073 176.3817 37 D 4.0087 8.2078 117.0959 55.2193 39.3164 176.5610 38 D 4.4062 7.7768 118.3416 53.0927 40.1415 175.9754 39 F 4.2679 7.5587 118.4787 59.1311 37.3108 174.9120 40 R 4.8874 8.1481 117.5075 54.3701 33.0408 174.1894 41 C 4.8523 8.1003 119.9173 55.5608 46.1617 172.0598 42 W 5.1358 9.1338 126.0492 55.1415 31.7920 173.9862 43 C 5.4125 9.1728 122.1710 55.7918 43.4609 172.7220 44 T 5.3789 8.8133 119.1890 62.0174 70.6893 173.9098 45 R 5.0022 8.9122 121.2952 54.1205 33.6108 174.1293 46 N 5.0638 8.7628 118.0310 53.6511 39.3671 174.1154 47 C 4.5455 8.9290 117.4425 55.7895 42.6532 173.7606 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 K 8.16 4.46 0.00 1.86 1.94 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.46 7.81 2 T 8.49 5.02 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 1.22 0.00 0.00 3 C 9.24 5.08 0.00 2.88 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 4 E 8.84 5.27 0.00 2.00 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 2.50 2.58 0.00 5 N 9.13 5.17 0.00 2.83 2.58 0.00 0.00 6.85 6.25 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 6 L 7.63 3.57 0.00 1.13 1.15 0.60 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.40 4.18 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.69 4.55 0.00 2.58 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 3.35 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 1.20 0.00 0.00 10 F 8.06 4.32 0.00 2.56 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.81 4.15 0.00 1.58 1.68 0.00 3.19 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 12 G 8.55 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.28 0.00 0.49 1.63 0.00 3.59 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.66 0.00 14 C 8.63 4.71 0.00 2.83 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 15 F 8.50 5.10 0.00 3.06 2.92 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 0.00 0.00 0.00 16 T 7.74 4.70 4.36 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 1.28 0.00 0.00 17 D 9.23 4.53 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.14 3.69 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 0.00 0.00 0.00 19 S 8.03 4.26 0.00 4.16 4.13 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 0.00 0.00 0.00 0.00 20 C 8.17 4.15 0.00 2.68 3.18 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 0.00 0.00 0.00 0.00 21 D 8.43 4.40 0.00 2.95 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.32 4.31 0.00 2.91 2.86 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 0.00 0.00 0.00 23 H 8.36 4.10 0.00 3.58 3.67 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.62 4.29 0.00 3.13 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 4.16 0.00 1.87 1.86 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.57 1.45 7.81 26 N 8.29 4.59 0.00 2.79 2.85 0.00 0.00 7.09 7.21 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 27 K 7.93 4.11 0.00 1.59 1.72 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.50 7.81 28 E 7.80 4.29 0.00 2.06 1.96 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 2.19 2.16 0.00 29 H 7.74 4.50 0.00 3.33 3.40 0.00 5.73 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.80 4.68 0.00 1.67 1.81 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.49 3.98 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.48 0.92 0.00 0.00 32 K 7.79 4.48 0.00 1.91 1.88 0.00 1.50 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.38 7.81 33 G 9.36 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.77 4.88 0.00 1.86 1.99 0.00 2.72 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 35 C 9.11 5.00 0.00 3.08 3.26 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 36 R 8.46 4.48 0.00 1.77 1.48 0.00 2.21 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.20 0.00 37 D 8.21 4.01 0.00 2.56 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 38 D 7.78 4.41 0.00 2.88 2.86 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 0.00 0.00 0.00 39 F 7.56 4.27 0.00 3.52 3.26 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 40 R 8.15 4.89 0.00 2.30 1.69 0.00 3.04 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 41 C 8.10 4.85 0.00 1.54 2.08 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 42 W 9.13 5.14 0.00 3.31 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 43 C 9.17 5.41 0.00 2.88 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 44 T 8.81 5.38 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 1.28 0.00 0.00 45 R 8.91 5.00 0.00 1.82 1.98 0.00 2.78 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 46 N 8.76 5.06 0.00 2.64 2.81 0.00 0.00 6.71 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 47 C 8.93 4.55 0.00 2.91 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