NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8913 8.3544 109.7366 45.5639 0.0000 172.0560 2 I 4.0349 8.1625 119.4972 58.7131 39.1528 174.1335 3 I 4.3724 8.8830 128.3886 60.0126 39.9793 174.4271 4 N 4.9829 8.4065 120.5675 52.7326 41.0361 174.6767 5 T 4.4069 7.7309 115.1837 62.9031 69.9171 175.3372 6 L 4.1558 7.5888 123.8126 54.1546 40.1030 176.3755 7 Q 4.3332 8.0221 117.6785 58.6380 28.9182 178.4593 8 K 3.8429 7.1383 117.1783 58.2515 32.6278 177.9687 9 Y 4.8507 7.3622 115.6276 56.6159 38.9861 176.1318 10 Y 4.2226 8.2766 124.3602 61.0672 38.6876 177.3847 11 C 4.5420 8.2789 117.2376 57.2122 43.9588 174.2757 12 R 4.0331 7.8321 117.9790 58.3583 30.2396 177.5103 13 V 4.0637 7.8932 111.6350 63.1572 32.0745 176.3307 14 R 4.6754 7.2308 112.1340 55.4284 31.6926 177.0061 15 G 4.1434 7.9149 112.1971 46.3115 0.0000 172.3657 16 G 4.3728 9.0517 110.9358 46.3335 0.0000 174.3370 17 R 4.8512 5.8400 119.6187 54.4529 33.8288 175.8902 18 C 5.4680 8.5525 114.9785 55.2058 41.9801 173.9750 19 A 4.6825 8.5096 124.2706 50.6119 20.7987 178.3718 20 V 3.6980 8.3867 118.9435 64.9622 31.6094 175.9682 21 L 4.8704 7.6696 115.3596 53.4602 44.3546 175.8938 22 S 4.7856 7.5182 113.8088 56.1783 65.5059 174.5391 23 C 4.4964 8.5062 119.6845 57.0859 41.8787 172.8761 24 L 4.6284 8.0438 119.9755 53.1056 42.3133 176.7161 25 P 4.2425 0.0000 0.0000 65.0315 31.5732 177.2981 26 K 4.4505 7.9821 116.6622 56.0961 32.3190 175.2649 27 E 5.1066 8.1027 116.6580 54.9994 32.7622 174.4409 28 E 4.5869 8.5708 118.9708 55.0372 32.6328 174.3204 29 Q 5.5342 8.6610 121.5328 54.8407 29.6008 175.0490 30 I 4.1481 8.0975 117.7223 60.7974 40.3880 174.9750 31 G 3.9287 7.3015 109.5202 45.2950 0.0000 171.5590 32 K 4.4620 8.0668 119.1107 56.2765 32.4665 176.7238 33 C 4.8366 8.6985 119.8834 56.6771 41.8310 173.1883 34 S 4.6187 7.8483 115.2607 58.2700 66.4804 172.9208 35 T 4.1563 8.7136 116.6458 62.7582 72.7480 171.9544 36 R 4.1086 8.1708 117.6941 59.1383 31.2461 174.0774 37 G 4.0841 9.1865 114.5881 44.9885 0.0000 171.7618 38 R 4.7380 7.4225 116.4831 54.6456 34.5913 173.9421 39 K 4.7449 8.1566 115.4573 55.8831 37.6525 173.9069 40 C 5.3788 9.4061 121.2099 55.2306 40.9268 171.8573 41 C 6.3000 9.1367 122.4659 54.1760 38.1037 173.0518 42 R 4.8543 8.2791 118.4911 53.8973 31.7765 174.6519 43 R 4.6010 8.7832 124.0183 55.9394 30.5050 176.0823 44 K 4.1511 8.7173 125.4913 56.4339 32.9718 177.2412 45 K 4.1568 8.5138 122.4861 56.5712 32.3172 176.2567 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 G 8.35 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.16 4.03 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 1.30 1.02 0.91 0.00 0.00 3 I 8.88 4.37 1.87 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 1.41 0.98 0.91 0.00 0.00 4 N 8.41 4.98 0.00 2.69 2.76 0.00 0.00 6.99 7.54 0.00 0.00 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 T 7.73 4.41 4.20 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 1.22 0.00 0.00 6 L 7.59 4.16 0.00 1.77 1.74 0.63 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.02 4.33 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.85 6.94 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 8 K 7.14 3.84 0.00 0.81 1.33 0.00 1.56 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.36 7.81 9 Y 7.36 4.85 0.00 3.14 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.28 4.22 0.00 3.11 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 11 C 8.28 4.54 0.00 3.06 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 12 R 7.83 4.03 0.00 1.92 2.15 0.00 3.36 0.00 0.00 3.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 13 V 7.89 4.06 2.14 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 0.86 0.00 0.00 1.17 0.00 0.00 14 R 7.23 4.68 0.00 1.88 1.98 0.00 3.17 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 15 G 7.91 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 16 G 9.05 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 0.00 0.00 0.00 0.00 17 R 5.84 4.85 0.00 1.91 2.06 0.00 2.71 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 18 C 8.55 5.47 0.00 2.82 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 19 A 8.51 4.68 1.26 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 0.00 0.00 20 V 8.39 3.70 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 0.83 0.00 0.00 0.93 0.00 0.00 21 L 7.67 4.87 0.00 1.59 1.55 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.52 4.79 0.00 3.93 3.81 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 0.00 0.00 0.00 0.00 23 C 8.51 4.50 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 24 L 8.04 4.63 0.00 1.69 1.62 0.92 0.98 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 25 P 0.00 4.24 0.00 2.03 2.11 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 26 K 7.98 4.45 0.00 1.80 1.80 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.41 7.81 27 E 8.10 5.11 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 28 E 8.57 4.59 0.00 2.01 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 2.17 2.17 0.00 29 Q 8.66 5.53 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.19 0.00 30 I 8.10 4.15 1.59 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.91 0.49 0.00 0.00 31 G 7.30 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.07 4.46 0.00 1.84 1.75 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.53 7.81 33 C 8.70 4.84 0.00 3.04 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 34 S 7.85 4.62 0.00 3.78 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.71 4.16 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 36 R 8.17 4.11 0.00 1.75 1.77 0.00 3.42 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 37 G 9.19 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 0.00 0.00 0.00 0.00 38 R 7.42 4.74 0.00 1.65 1.80 0.00 3.21 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 39 K 8.16 4.74 0.00 1.74 1.72 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.43 7.81 40 C 9.41 5.38 0.00 2.93 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 41 C 9.14 6.30 0.00 2.89 2.89 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 0.00 0.00 0.00 42 R 8.28 4.85 0.00 1.85 1.97 0.00 2.98 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 43 R 8.78 4.60 0.00 1.83 1.90 0.00 3.06 0.00 0.00 3.49 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 44 K 8.72 4.15 0.00 1.65 1.72 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.52 7.81 45 K 8.51 4.16 0.00 1.70 1.69 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.46 7.81