NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3434 8.3049 120.3492 55.1208 34.8742 177.0974 2 K 3.4312 9.1381 115.8505 54.0061 30.9249 170.7794 3 A 3.8426 8.8502 131.7055 52.4715 20.6919 177.5951 4 T 4.2354 8.7374 111.8704 62.7819 70.8554 175.1470 5 G 3.4758 8.0642 106.9142 45.8206 0.0000 174.2390 6 I 4.1875 7.3430 117.8451 58.7351 38.8463 174.6434 7 V 3.8214 8.1637 128.3411 62.3383 32.1080 175.1691 8 R 4.3871 8.2770 126.1956 54.3400 32.2865 174.6007 9 R 4.2236 9.2745 126.3548 56.1682 30.9734 177.3440 10 I 3.1651 7.4428 113.2790 61.7677 40.4475 177.0518 11 D 4.4408 8.5288 120.7337 53.6019 43.3051 177.8114 12 D 4.8039 8.4326 122.0093 54.1051 39.5116 175.5258 13 L 4.4300 8.7586 120.1557 58.3880 43.5998 176.0474 14 G 3.3235 8.9614 107.6827 44.9559 0.0000 173.8861 15 R 4.1524 7.9316 120.5261 55.6897 30.9186 175.8241 16 V 4.2807 7.9575 113.4565 59.4417 32.8604 176.5390 17 V 3.6519 8.2339 125.5830 62.5352 30.1851 175.3113 18 I 4.0644 8.0076 128.4849 59.3276 36.8995 174.4484 19 P 4.3002 0.0000 0.0000 62.7152 31.8253 177.9418 20 K 4.1393 8.6647 121.0756 59.3787 32.4900 179.0200 21 E 3.9668 8.1813 118.8422 59.0215 29.3523 178.8596 22 I 3.8546 7.7470 120.9546 63.9493 37.5968 178.0976 23 R 3.9135 7.9132 118.8613 58.9962 29.8107 178.4355 24 R 3.8504 8.4978 119.2795 59.8588 29.9557 178.7223 25 T 3.9000 7.6204 113.7002 66.4164 68.4357 176.3989 26 L 4.1038 8.0802 120.4690 55.4887 41.5739 177.8209 27 R 4.0268 7.8123 115.9543 57.0657 28.2789 176.0887 28 I 4.8503 7.7418 121.2826 60.7106 39.9415 173.4095 29 R 4.5011 7.7930 116.2409 57.1035 31.0075 176.2512 30 E 4.5292 8.8064 117.8283 56.8333 28.7573 177.8972 31 G 4.1369 8.3415 105.1833 45.6921 0.0000 172.8267 32 D 4.5790 8.2032 120.2439 52.6011 41.8877 173.9749 33 P 4.8119 0.0000 0.0000 62.4657 33.2991 174.9097 34 L 5.2425 8.2514 119.8367 53.3499 46.3753 175.4475 35 E 4.4795 9.4705 123.5284 54.8215 31.1163 175.2443 36 I 4.7800 8.4389 129.6460 60.6714 37.8375 175.7440 37 F 5.0562 9.2453 123.6076 55.2707 41.2225 174.5243 38 V 4.1190 8.5253 123.2699 61.2774 32.4738 175.5467 39 D 4.6046 8.6764 123.0317 56.0846 41.9589 176.7988 40 R 4.4737 7.6631 110.2613 55.9170 30.2196 174.6377 41 D 4.5960 8.3057 116.5288 54.2044 43.3803 176.3929 42 G 4.0887 7.6257 106.5416 45.0889 0.0000 171.4469 43 E 4.4033 8.1144 120.3893 54.5807 30.7464 175.2329 44 V 4.1307 8.2305 125.2915 61.8893 33.1032 174.9802 45 I 4.2423 8.4291 128.6971 59.4673 39.2857 174.3698 46 L 5.6117 8.4120 127.1213 52.2727 43.3924 175.6971 47 K 4.7668 8.5920 125.5680 54.0561 34.4379 176.8871 48 K 4.7471 9.0663 126.4086 57.9486 32.8361 176.4055 49 Y 4.1699 8.4253 125.3055 58.3870 38.1857 170.9134 50 S 3.6910 8.1668 112.2515 60.2564 63.2172 173.1964 51 P 4.6972 0.0000 0.0000 61.2303 32.3642 175.6742 52 I 3.1043 7.4074 122.1776 63.4962 36.2171 175.1884 53 S 4.7473 8.6318 123.2835 58.2624 63.3513 173.6514 54 E 5.2427 8.2735 128.1217 55.7415 31.2437 176.7929 55 L 3.9609 8.0486 122.9943 55.0220 41.5596 174.0354 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 4.34 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 K 9.14 3.43 0.00 2.01 1.65 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.45 7.81 3 A 8.85 3.84 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.74 4.24 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 5 G 8.06 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.34 4.19 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 0.90 0.00 0.00 7 V 8.16 3.82 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 0.76 0.00 0.00 0.92 0.00 0.00 8 R 8.28 4.39 0.00 1.72 1.74 0.00 3.53 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 9 R 9.27 4.22 0.00 1.78 1.86 0.00 3.35 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 10 I 7.44 3.17 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.53 0.98 0.00 0.00 11 D 8.53 4.44 0.00 2.93 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 12 D 8.43 4.80 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.76 4.43 0.00 1.52 1.77 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.96 3.32 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 0.00 15 R 7.93 4.15 0.00 1.93 1.85 0.00 3.38 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 16 V 7.96 4.28 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 0.69 0.00 0.00 0.92 0.00 0.00 17 V 8.23 3.65 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 0.75 0.00 0.00 0.93 0.00 0.00 18 I 8.01 4.06 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 1.61 0.93 0.91 0.00 0.00 19 P 0.00 4.30 0.00 2.17 2.09 0.00 3.60 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 20 K 8.66 4.14 0.00 1.95 2.07 0.00 1.52 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.44 7.81 21 E 8.18 3.97 0.00 2.21 2.26 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 2.36 2.40 0.00 22 I 7.75 3.85 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.58 0.91 0.00 0.00 23 R 7.91 3.91 0.00 1.85 1.93 0.00 3.57 0.00 0.00 3.39 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 24 R 8.50 3.85 0.00 1.98 2.03 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 25 T 7.62 3.90 4.37 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 1.21 0.00 0.00 26 L 8.08 4.10 0.00 1.73 1.74 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.81 4.03 0.00 1.95 2.05 0.00 3.17 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 28 I 7.74 4.85 1.89 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 1.35 0.61 0.98 0.00 0.00 29 R 7.79 4.50 0.00 1.92 2.03 0.00 3.14 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 30 E 8.81 4.53 0.00 1.97 2.02 0.00 0.00 0.00 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 2.37 0.00 31 G 8.34 4.14 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 0.00 32 D 8.20 4.58 0.00 2.70 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 33 P 0.00 4.81 0.00 2.53 2.27 0.00 3.63 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 34 L 8.25 5.24 0.00 1.49 1.66 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.47 4.48 0.00 2.12 2.03 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 2.45 2.34 0.00 36 I 8.44 4.78 1.90 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 1.40 0.55 0.92 0.00 0.00 37 F 9.25 5.06 0.00 2.97 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 38 V 8.53 4.12 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 0.69 0.00 0.00 1.04 0.00 0.00 39 D 8.68 4.60 0.00 2.49 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 40 R 7.66 4.47 0.00 1.88 1.72 0.00 3.06 0.00 0.00 3.14 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 41 D 8.31 4.60 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.63 4.09 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 0.00 0.00 0.00 43 E 8.11 4.40 0.00 1.86 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 44 V 8.23 4.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.89 0.00 0.00 45 I 8.43 4.24 0.61 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.10 0.71 0.00 0.00 46 L 8.41 5.61 0.00 1.51 1.61 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.59 4.77 0.00 2.00 1.85 0.00 1.95 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.61 1.56 7.81 48 K 9.07 4.75 0.00 1.94 2.01 0.00 1.34 0.00 0.00 2.31 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.52 7.81 49 Y 8.43 4.17 0.00 3.22 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 50 S 8.17 3.69 0.00 3.93 3.96 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 0.00 0.00 0.00 51 P 0.00 4.70 0.00 2.20 2.25 0.00 3.77 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 1.98 1.94 0.00 52 I 7.41 3.10 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.34 0.91 0.00 0.00 53 S 8.63 4.75 0.00 4.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.27 5.24 0.00 2.13 2.09 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 2.06 2.05 0.00 55 L 8.05 3.96 0.00 1.81 1.70 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00