NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5734 8.3044 120.4018 54.9787 34.1739 174.8169 2 V 4.2968 7.5994 117.1758 59.2469 33.6654 173.2614 3 Y 4.3498 8.1849 124.5616 54.4155 42.8854 173.7096 4 D 4.6145 8.6890 126.4226 53.9115 40.7103 178.1187 5 K 3.7501 9.3718 129.9068 60.5894 32.0304 177.0368 6 I 3.6744 7.7601 117.7078 64.2212 37.8754 177.6895 7 A 3.9389 7.7254 120.1003 55.7162 17.8307 178.7856 8 A 3.6093 8.3941 117.8264 55.9812 18.4321 179.2212 9 Q 4.0358 8.5395 114.4409 57.4566 29.4875 178.4878 10 G 3.7709 7.6784 108.6353 48.1951 0.0000 175.2884 11 E 4.0011 8.4990 122.2464 58.3730 29.5664 178.6412 12 V 3.5391 7.1641 118.3801 66.3204 31.4504 178.3128 13 V 3.5930 7.6317 117.0798 65.8773 31.3941 177.8550 14 R 3.8935 7.8043 117.4707 59.5031 29.9783 178.9118 15 K 3.9924 8.5186 119.4692 59.2604 32.1226 178.7028 16 L 3.9407 7.8556 119.6153 57.8330 41.4219 179.6278 17 K 3.9547 8.5888 117.6839 59.9106 32.3632 178.7118 18 A 4.1551 7.5430 120.7657 54.9578 18.4368 178.5987 19 E 4.4961 8.3058 114.2237 55.1296 29.7628 173.2096 20 K 3.7348 7.8450 125.4137 55.9485 29.7925 174.8530 21 A 4.7620 7.9534 125.2989 48.6226 22.7917 173.6673 22 P 4.5236 0.0000 0.0000 62.5991 33.4229 177.5563 23 K 3.9231 8.6649 119.7463 59.4232 32.0281 179.2245 24 A 3.9823 8.0266 120.7019 55.2926 18.1898 179.7111 25 K 3.9117 7.8856 116.1423 59.2830 32.5244 179.3638 26 V 3.5717 7.7860 118.8086 66.3523 31.3473 178.1969 27 T 3.7355 8.2177 109.6112 64.7997 68.5736 175.8586 28 E 4.1584 8.3003 122.9099 58.3445 29.4580 179.4169 29 A 4.7814 8.0919 121.6572 54.9865 18.5425 179.5261 30 V 3.5206 7.5381 116.2562 66.4406 31.0678 178.1776 31 E 3.9219 8.2976 117.9777 59.8000 29.4484 179.0588 32 C 4.2116 8.1585 116.5642 62.6784 28.0814 176.4755 33 L 3.9932 8.0935 120.9551 57.7246 41.4079 179.2479 34 L 4.4868 7.6925 121.4413 57.7252 42.0900 179.1081 35 S 4.1170 8.8729 115.8280 61.5606 62.8042 176.4390 36 L 4.0126 8.3536 123.5183 57.9930 41.8369 178.8837 37 K 4.0343 8.2572 118.6153 60.2730 32.1009 178.7634 38 A 4.0188 7.7691 120.5136 54.8866 18.3509 178.9420 39 E 4.0787 7.8860 116.5005 59.0258 29.8805 177.7662 40 Y 4.0042 9.1569 117.4906 57.2950 39.0406 176.1433 41 K 3.7474 8.8813 119.8557 57.3081 31.0245 174.9287 42 E 3.8151 5.9000 120.1081 56.3809 30.2652 177.8423 43 K 4.4450 6.6616 117.2645 57.1066 33.2791 175.4583 44 T 4.5552 7.9258 114.8479 64.8895 71.6130 175.3723 45 G 3.5802 8.4179 110.6107 44.3041 0.0000 170.1043 46 K 3.5731 8.7114 124.4398 56.5535 30.3306 175.1350 47 E 4.4652 8.7941 124.2336 55.6933 26.3088 174.0827 48 Y 3.4767 8.0457 118.5347 57.7406 39.8102 176.0486 49 V 3.8532 6.4319 125.6737 60.9191 30.8056 173.4658 50 P 4.3667 0.0000 0.0000 62.3153 31.6073 176.3372 51 G 3.8253 6.7637 117.2422 45.4843 0.0000 174.4329 52 L 3.7927 7.9254 122.3139 55.5392 42.4945 176.0580 53 E 3.4471 8.7916 129.5661 56.7829 27.5340 168.8715 54 H 4.2861 9.0455 131.1488 55.5145 31.2209 173.5087 55 H 4.6793 7.8541 123.6574 54.9992 32.8903 172.6697 56 H 4.4040 8.2324 121.4730 56.1503 28.6538 175.2697 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 4.57 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 2 V 7.60 4.30 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 0.67 0.00 0.00 0.94 0.00 0.00 3 Y 8.18 4.35 0.00 2.27 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.69 4.61 0.00 2.74 1.98 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 5 K 9.37 3.75 0.00 1.80 1.90 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.54 7.81 6 I 7.76 3.67 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.86 0.00 0.00 7 A 7.73 3.94 0.32 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 0.00 0.00 0.00 8 A 8.39 3.61 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 9 Q 8.54 4.04 0.00 2.33 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 10 G 7.68 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 0.00 0.00 0.00 11 E 8.50 4.00 0.00 2.01 2.01 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 2.28 2.29 0.00 12 V 7.16 3.54 2.23 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 0.92 0.00 0.00 1.00 0.00 0.00 13 V 7.63 3.59 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 1.02 0.00 0.00 0.98 0.00 0.00 14 R 7.80 3.89 0.00 2.07 2.00 0.00 3.20 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 15 K 8.52 3.99 0.00 1.78 1.79 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.36 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.47 7.81 16 L 7.86 3.94 0.00 2.02 1.69 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.59 3.95 0.00 1.86 1.95 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.63 7.81 18 A 7.54 4.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 4.50 0.00 1.89 1.98 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 2.32 2.49 0.00 20 K 7.85 3.73 0.00 1.91 1.94 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.37 7.81 21 A 7.95 4.76 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.52 0.00 2.27 2.17 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 23 K 8.66 3.92 0.00 1.81 1.88 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.50 7.81 24 A 8.03 3.98 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 25 K 7.89 3.91 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.54 7.81 26 V 7.79 3.57 2.16 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 0.96 0.00 0.00 0.96 0.00 0.00 27 T 8.22 3.74 4.16 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 0.91 0.00 0.00 28 E 8.30 4.16 0.00 2.20 2.07 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 2.34 2.34 0.00 29 A 8.09 4.78 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.54 3.52 2.22 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 1.04 0.00 0.00 1.00 0.00 0.00 31 E 8.30 3.92 0.00 2.27 1.98 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 2.31 2.58 0.00 32 C 8.16 4.21 0.00 3.14 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 33 L 8.09 3.99 0.00 1.90 1.85 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.69 4.49 0.00 1.87 1.79 1.03 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.87 4.12 0.00 3.89 3.92 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 36 L 8.35 4.01 0.00 1.83 1.69 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.26 4.03 0.00 2.29 2.31 0.00 1.67 0.00 0.00 2.02 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.70 1.54 7.81 38 A 7.77 4.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.89 4.08 0.00 2.01 2.23 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 2.37 2.41 0.00 40 Y 9.16 4.00 0.00 3.01 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 41 K 8.88 3.75 0.00 1.83 1.85 0.00 1.92 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.49 7.81 42 E 5.90 3.82 0.00 1.27 1.67 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 0.00 2.13 1.80 0.00 43 K 6.66 4.45 0.00 1.78 1.76 0.00 1.51 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.13 1.32 7.81 44 T 7.93 4.56 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 45 G 8.42 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.71 3.57 0.00 1.91 1.88 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.37 7.81 47 E 8.79 4.47 0.00 2.09 2.01 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 2.24 2.34 0.00 48 Y 8.05 3.48 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 6.43 3.85 1.65 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 0.86 0.00 0.00 0.68 0.00 0.00 50 P 0.00 4.37 0.00 2.33 2.20 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 51 G 6.76 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 52 L 7.93 3.79 0.00 1.67 1.73 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.79 3.45 0.00 2.20 1.93 0.00 0.00 0.00 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 2.35 0.00 54 H 9.05 4.29 0.00 3.33 3.27 0.00 5.78 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 H 7.85 4.68 0.00 3.07 3.03 0.00 5.78 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.23 4.40 0.00 3.12 3.14 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00