NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2469 8.3049 120.3510 53.7114 34.0575 174.2412 2 K 3.4872 8.0811 115.6534 56.5568 28.1354 173.0321 3 R 4.1989 7.6825 123.2225 55.2755 31.6708 177.4084 4 T 5.1475 7.3716 124.6169 63.1200 69.5549 172.8373 5 Y 4.1842 8.0850 120.3835 60.9234 39.0005 175.9308 6 Q 3.6974 7.3852 119.4365 54.5513 26.3659 175.2716 7 P 4.6480 0.0000 0.0000 62.4983 32.5709 176.6596 8 N 4.9594 8.1823 116.0552 51.7383 40.9682 176.8021 9 N 3.2363 9.0767 112.7475 53.3983 39.3999 178.4190 10 R 2.9892 7.7269 120.6198 57.3582 33.7556 180.2112 11 K 4.1846 8.5819 118.0755 57.1056 31.7104 181.8747 12 R 3.3008 8.8020 108.4101 57.8435 34.1336 178.1693 13 A 3.8270 9.8781 118.7517 56.0778 18.9149 179.8241 14 K 4.4814 6.0274 109.8047 54.6743 33.5010 182.1876 15 T 2.7626 7.6575 117.1573 61.8955 72.6885 170.9828 16 H 4.8668 8.0494 123.0361 52.5647 30.9606 175.2470 17 G 4.0364 9.0770 111.9306 47.0628 0.0000 175.5074 18 F 2.9821 8.6313 120.9106 56.9571 42.0972 179.4991 19 R 3.7310 8.4492 114.4044 55.5467 34.1355 182.0514 20 A 3.0809 9.9960 126.5271 53.1241 19.6446 180.9218 21 R 3.2944 7.8196 118.9029 56.7649 32.7670 178.4582 22 M 3.5615 9.9494 112.6957 58.9419 32.3819 181.0231 23 K 4.6907 7.8674 121.8248 59.7677 33.6503 176.6301 24 T 4.1694 8.0356 112.8227 61.0891 68.6274 174.4428 25 K 4.1765 9.0509 126.0927 57.3851 31.8737 180.9395 26 S 3.1904 8.5741 111.5783 58.9711 65.5803 177.6697 27 G 3.1228 6.4945 103.6823 47.6080 0.0000 177.1232 28 R 3.2800 7.1822 114.2016 56.8776 32.7098 178.9533 29 N 4.5657 9.4223 111.3336 53.4115 40.8751 179.6381 30 I 3.0189 8.3186 120.8352 65.1814 38.2438 176.5113 31 L 3.3221 7.8514 114.3368 57.7751 41.8508 178.8200 32 A 4.2947 6.9749 130.6626 55.3597 20.7966 180.3844 33 R 3.8592 9.4488 111.0671 58.7411 28.3392 180.2107 34 R 3.2090 8.6926 120.4268 58.1446 35.0796 178.0361 35 R 3.6727 8.9354 105.6624 55.0683 33.1654 179.6373 36 A 3.4370 10.2790 126.6609 56.4202 17.1059 184.0514 37 K 3.8123 8.2854 114.8242 57.0341 34.6375 175.2118 38 G 4.0618 9.3294 111.8627 47.5680 0.0000 173.3946 39 R 4.3517 8.8631 113.9690 53.6222 28.3593 179.8879 40 H 3.9046 9.0225 124.8688 57.8543 27.5527 172.5785 41 Q 4.4261 9.9960 121.1511 55.9933 30.1551 176.4125 42 L 4.9317 5.6200 125.1875 54.4313 47.1511 175.7388 43 T 4.7157 8.0060 105.6088 62.1531 67.5479 177.6280 44 V 3.0391 7.8753 117.1019 65.4848 33.0776 177.0551 45 S 4.0746 6.2044 110.4253 59.7529 63.3330 174.1163 46 D 4.3182 10.3135 126.6822 53.7901 39.3312 175.0593 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 8.30 4.25 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 2 K 8.08 3.49 0.00 2.00 1.83 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.54 7.81 3 R 7.68 4.20 0.00 2.14 2.29 0.00 3.43 0.00 0.00 3.35 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 4 T 7.37 5.15 3.97 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 1.15 0.00 0.00 5 Y 8.09 4.18 0.00 2.95 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.39 3.70 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.05 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 7 P 0.00 4.65 0.00 2.20 2.08 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 8 N 8.18 4.96 0.00 2.74 2.73 0.00 0.00 6.92 6.92 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 9 N 9.08 3.24 0.00 2.75 2.59 0.00 0.00 7.30 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 10 R 7.73 2.99 0.00 1.92 1.87 0.00 3.15 0.00 0.00 3.27 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 11 K 8.58 4.18 0.00 1.82 1.59 0.00 1.51 0.00 0.00 1.57 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 12 R 8.80 3.30 0.00 1.97 2.25 0.00 3.32 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 13 A 9.88 3.83 1.36 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 0.00 0.00 0.00 14 K 6.03 4.48 0.00 1.81 0.92 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.82 7.81 15 T 7.66 2.76 4.18 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 1.20 0.00 0.00 16 H 8.05 4.87 0.00 3.23 3.20 0.00 5.94 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 17 G 9.08 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 2.98 0.00 3.14 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 3.73 0.00 2.06 0.89 0.00 3.19 0.00 0.00 3.38 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 20 A 10.00 3.08 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 21 R 7.82 3.29 0.00 2.30 1.96 0.00 3.16 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 22 M 9.95 3.56 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.79 0.00 23 K 7.87 4.69 0.00 1.95 1.88 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 24 T 8.04 4.17 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 1.37 0.00 0.00 25 K 9.05 4.18 0.00 1.86 1.61 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.43 7.81 26 S 8.57 3.19 0.00 4.00 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 27 G 6.49 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 0.00 0.00 0.00 28 R 7.18 3.28 0.00 2.14 1.81 0.00 3.17 0.00 0.00 3.18 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.22 0.00 29 N 9.42 4.57 0.00 3.10 2.52 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.32 3.02 1.87 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 1.41 1.04 0.90 0.00 0.00 31 L 7.85 3.32 0.00 1.84 1.54 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 32 A 6.97 4.29 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 33 R 9.45 3.86 0.00 2.81 1.47 0.00 3.26 0.00 0.00 3.14 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.51 0.00 34 R 8.69 3.21 0.00 1.76 2.05 0.00 3.23 0.00 0.00 3.36 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 35 R 8.94 3.67 0.00 2.05 1.07 0.00 3.29 0.00 0.00 3.19 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 36 A 10.28 3.44 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 37 K 8.29 3.81 0.00 2.09 2.20 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.48 7.81 38 G 9.33 4.06 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 0.00 0.00 0.00 39 R 8.86 4.35 0.00 1.79 1.33 0.00 3.28 0.00 0.00 3.19 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 40 H 9.02 3.90 0.00 3.25 3.18 0.00 5.84 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 10.00 4.43 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.23 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 42 L 5.62 4.93 0.00 1.62 1.47 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.01 4.72 4.08 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 1.09 0.00 0.00 44 V 7.88 3.04 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.89 0.00 0.00 45 S 6.20 4.07 0.00 4.05 3.97 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 46 D 10.31 4.32 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00