NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3086 8.3049 120.3515 56.1953 33.3956 172.3709 2 R 3.7935 8.6284 129.9269 54.8594 29.9075 173.2930 3 Q 4.8844 8.9013 121.7432 55.1630 33.5260 172.7832 4 C 5.0082 8.6572 120.7305 58.1934 33.6500 172.6921 5 K 4.9220 9.2805 124.1413 54.2302 34.6518 175.5777 6 V 4.0025 8.4437 127.5185 63.1633 32.1855 176.4726 7 L 4.1788 8.6351 126.1262 56.8538 41.2981 175.6015 8 F 4.9454 7.8830 115.6224 55.5755 42.9669 174.0142 9 E 4.9569 9.3260 118.4614 55.8809 30.9619 175.5116 10 Y 4.7987 8.5716 122.5947 55.7537 41.9543 174.7923 11 I 4.1822 7.6423 125.5401 58.3116 39.5699 173.2579 12 P 4.1847 0.0000 0.0000 62.3743 32.2481 175.6918 13 Q 4.3404 8.5107 119.6961 56.6315 31.1284 175.3612 14 N 4.9612 7.6115 114.0560 50.9293 40.9153 175.5018 15 E 4.0011 8.5254 117.7004 59.5048 29.9596 178.1421 16 D 4.3992 8.0178 118.2854 55.8125 41.5600 175.0202 17 E 5.0144 7.8747 120.0787 54.8127 31.3510 175.5103 18 L 4.8401 8.7938 126.5445 53.8379 44.4841 175.4159 19 E 4.4315 8.6556 123.4985 54.6624 30.4483 175.4627 20 L 4.3073 8.5523 128.7232 54.1029 42.9584 176.4405 21 K 4.7827 8.5985 124.5545 55.1356 33.8148 177.2039 22 V 3.8510 8.3424 124.6037 63.0359 31.7765 176.6428 23 G 3.9397 8.6299 112.7720 45.1772 0.0000 173.0779 24 D 4.6351 7.5642 119.4257 53.6975 41.7565 175.6716 25 I 4.4156 8.1676 123.8191 60.1630 38.8561 175.1098 26 I 4.7402 8.1430 126.7689 59.4335 40.2453 174.0715 27 D 4.7957 8.5852 127.0213 53.5031 42.2199 175.0588 28 I 4.3736 7.9329 120.8269 60.7397 38.2820 175.2234 29 N 4.7310 8.7447 122.7381 54.6279 39.6275 175.1749 30 E 4.4053 7.4189 114.5346 55.1191 33.3429 174.3861 31 E 3.8334 8.0501 121.4168 54.6112 29.5343 176.2135 32 V 3.6687 8.2972 124.8347 65.4452 31.7497 175.2245 33 E 4.8615 8.2516 116.3135 54.5749 33.7684 174.8704 34 E 4.3057 9.0259 120.3408 58.7796 30.0700 177.3531 35 G 3.5986 8.1279 105.0448 46.5701 0.0000 173.6300 36 W 5.6243 7.9963 121.0658 54.9996 31.1049 175.8777 37 W 5.2915 9.5933 124.3785 55.1420 32.3990 174.8329 38 S 5.0127 7.3083 117.5140 56.6326 65.1981 173.4845 39 G 4.3329 7.9914 107.2665 46.4970 0.0000 172.2397 40 T 4.7617 8.1872 114.6418 61.6981 71.8252 174.6218 41 L 4.3281 9.1537 129.1498 55.1158 41.8784 176.9685 42 N 4.9350 7.4431 116.6967 53.9901 42.1410 175.0499 43 N 5.1301 7.8404 114.8191 52.4860 39.0077 174.2775 44 K 4.6896 8.0548 116.7207 55.1301 35.7401 174.8985 45 L 4.9724 7.9858 122.8504 53.4686 44.5517 175.7133 46 G 4.0258 7.4837 110.1122 46.0424 0.0000 171.6511 47 L 4.8166 7.5948 118.1691 53.0376 46.1973 175.9147 48 F 5.9260 8.4273 113.4281 56.3384 41.9875 171.5315 49 P 4.6191 0.0000 0.0000 63.1946 31.4315 177.8038 50 S 3.9463 9.2855 121.9613 61.0006 62.5307 175.5256 51 N 4.1907 8.0472 117.4246 55.9298 39.3781 175.2308 52 F 3.7299 8.3901 116.6337 58.3314 38.2743 176.0458 53 V 3.1566 6.8886 115.8987 55.9452 33.7950 175.2165 54 K 4.4676 8.3595 123.9197 54.1495 34.5875 174.9345 55 E 3.9355 8.8921 129.1142 56.9110 29.7551 175.2127 56 L 4.2734 8.2874 126.0676 52.8779 42.3483 173.5915 57 E 3.6742 8.2789 130.3373 56.2428 28.3919 174.1899 58 L 4.8225 8.0332 121.9221 52.8581 45.9116 176.6360 59 E 4.0090 8.8146 123.0840 59.6434 30.0292 176.3753 60 H 4.4217 7.9051 118.4621 56.0842 28.7633 175.2941 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 4.31 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 R 8.63 3.79 0.00 2.21 1.99 0.00 3.25 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 3 Q 8.90 4.88 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 4 C 8.66 5.01 0.00 3.05 2.85 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 0.00 0.00 0.00 5 K 9.28 4.92 0.00 1.75 1.61 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.45 7.81 6 V 8.44 4.00 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 1.11 0.00 0.00 0.81 0.00 0.00 7 L 8.64 4.18 0.00 1.68 1.73 1.08 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.88 4.95 0.00 2.97 3.06 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 9 E 9.33 4.96 0.00 2.05 1.99 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 2.39 2.39 0.00 10 Y 8.57 4.80 0.00 1.91 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.64 4.18 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.79 0.84 0.00 0.00 12 P 0.00 4.18 0.00 2.19 2.07 0.00 3.55 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 13 Q 8.51 4.34 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 14 N 7.61 4.96 0.00 2.71 2.63 0.00 0.00 6.88 7.64 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 15 E 8.53 4.00 0.00 2.04 2.06 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 2.24 2.28 0.00 16 D 8.02 4.40 0.00 2.68 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 17 E 7.87 5.01 0.00 2.07 1.97 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 2.18 2.36 0.00 18 L 8.79 4.84 0.00 1.59 1.96 0.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.66 4.43 0.00 2.01 1.89 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 2.21 2.44 0.00 20 L 8.55 4.31 0.00 1.55 1.43 0.29 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.60 4.78 0.00 1.89 1.73 0.00 1.70 0.00 0.00 2.04 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.46 7.81 22 V 8.34 3.85 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 0.65 0.00 0.00 0.81 0.00 0.00 23 G 8.63 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 0.00 0.00 0.00 24 D 7.56 4.64 0.00 2.99 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.17 4.42 1.89 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 1.36 0.81 0.97 0.00 0.00 26 I 8.14 4.74 1.97 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 1.19 1.02 1.16 0.00 0.00 27 D 8.59 4.80 0.00 2.87 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.37 1.96 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.93 1.24 0.00 0.00 29 N 8.74 4.73 0.00 2.70 2.86 0.00 0.00 6.88 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 30 E 7.42 4.41 0.00 1.89 1.66 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 2.18 2.16 0.00 31 E 8.05 3.83 0.00 1.25 1.12 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 1.90 1.93 0.00 32 V 8.30 3.67 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 0.84 0.00 0.00 0.91 0.00 0.00 33 E 8.25 4.86 0.00 2.43 2.00 0.00 0.00 0.00 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 2.43 0.00 34 E 9.03 4.31 0.00 1.97 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 2.33 2.48 0.00 35 G 8.13 3.60 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 0.00 0.00 0.00 36 W 8.00 5.62 0.00 3.42 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 37 W 9.59 5.29 0.00 3.42 3.29 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 38 S 7.31 5.01 0.00 4.03 3.70 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 39 G 7.99 4.33 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 0.00 40 T 8.19 4.76 4.29 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 1.31 0.00 0.00 41 L 9.15 4.33 0.00 1.72 1.63 1.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.44 4.94 0.00 2.68 2.72 0.00 0.00 6.64 8.02 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 43 N 7.84 5.13 0.00 2.77 2.82 0.00 0.00 5.79 7.14 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 44 K 8.05 4.69 0.00 1.82 1.70 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.39 7.81 45 L 7.99 4.97 0.00 1.54 1.46 0.91 0.99 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 46 G 7.48 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.59 4.82 0.00 1.48 1.59 0.84 1.47 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 48 F 8.43 5.93 0.00 2.93 3.36 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 49 P 0.00 4.62 0.00 2.14 1.83 0.00 2.96 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.35 0.00 50 S 9.29 3.95 0.00 3.15 2.65 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 0.00 0.00 0.00 0.00 51 N 8.05 4.19 0.00 2.46 2.60 0.00 0.00 6.76 6.85 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 52 F 8.39 3.73 0.00 2.97 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 53 V 6.89 3.16 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 0.41 0.00 0.00 0.79 0.00 0.00 54 K 8.36 4.47 0.00 1.84 1.72 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.45 7.81 55 E 8.89 3.94 0.00 1.99 1.82 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 2.31 2.38 0.00 56 L 8.29 4.27 0.00 1.40 1.59 0.93 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 57 E 8.28 3.67 0.00 2.12 2.00 0.00 0.00 0.00 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 2.37 0.00 58 L 8.03 4.82 0.00 1.57 1.51 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.81 4.01 0.00 1.86 1.79 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 2.17 2.26 0.00 60 H 7.91 4.42 0.00 3.20 3.19 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