NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8683 8.3249 122.8276 57.9518 40.9931 176.4273 2 V 3.6506 7.0168 120.3831 60.1461 29.6079 176.8199 3 N 4.3214 8.7106 120.3123 56.9011 39.2615 176.7780 4 Q 3.9992 7.9780 118.7156 58.8882 28.8339 177.8808 5 H 4.1064 8.1396 118.9153 59.4379 29.7929 177.2089 6 L 3.9266 7.8197 120.6766 57.6556 41.3515 178.8059 7 C 4.1841 8.3831 119.0743 62.6815 31.4839 175.9716 8 G 3.6097 8.3702 107.3935 47.8155 0.0000 175.4370 9 S 3.9399 7.7529 114.9675 61.6136 62.2683 176.0887 10 H 4.1843 7.9511 118.8320 58.4020 28.3900 177.7305 11 L 3.9184 8.0732 121.3481 58.0121 41.4649 180.0525 12 V 3.2752 7.6203 112.1967 64.0063 31.3585 178.3322 13 E 3.9087 7.8569 119.0215 58.9818 29.3726 178.6887 14 A 3.9369 8.2003 121.1692 55.0812 18.3794 179.4945 15 L 3.6644 7.9164 117.8651 57.9091 41.6488 178.8423 16 Y 4.3729 7.5501 119.3520 61.1469 38.4511 178.5808 17 L 3.8462 7.6632 118.0682 57.6400 41.7970 179.3689 18 V 3.7193 7.7813 117.6288 66.0348 31.9018 177.5699 19 C 4.3237 8.6430 116.8587 59.6321 28.5447 175.4431 20 G 3.7009 8.3874 108.3359 46.3717 0.0000 177.3413 21 E 4.0689 8.9016 123.5967 58.7294 29.4155 178.2004 22 R 3.8843 7.8438 117.6386 57.0947 30.3054 178.1324 23 G 3.9649 8.6008 106.5022 45.1736 0.0000 171.6024 24 F 4.8697 7.6438 112.1839 56.0094 40.3850 172.9222 25 F 4.9863 9.0169 122.3301 56.7082 40.6785 173.4479 26 Y 4.7428 8.9460 130.4422 56.4680 38.7948 175.2265 27 T 4.0840 7.4258 117.9431 58.4186 68.6329 171.7926 28 P 3.9805 0.0000 0.0000 64.7140 32.5034 178.1865 29 K 4.1896 8.3999 119.6302 55.0708 31.4046 177.2301 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 F 8.32 4.87 0.00 2.90 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 2 V 7.02 3.65 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.35 0.00 0.00 3 N 8.71 4.32 0.00 2.78 2.96 0.00 0.00 7.00 8.06 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 4 Q 7.98 4.00 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 5 H 8.14 4.11 0.00 3.18 3.37 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.82 3.93 0.00 1.77 1.74 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.38 4.18 0.00 3.06 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 8 G 8.37 3.61 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 0.00 0.00 0.00 9 S 7.75 3.94 0.00 3.71 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 10 H 7.95 4.18 0.00 3.29 3.30 0.00 5.68 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 11 L 8.07 3.92 0.00 1.78 1.64 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.62 3.28 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 0.01 0.00 0.00 0.85 0.00 0.00 13 E 7.86 3.91 0.00 1.99 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 2.30 2.39 0.00 14 A 8.20 3.94 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 15 L 7.92 3.66 0.00 0.72 0.60 0.78 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.55 4.37 0.00 3.22 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 3.85 0.00 1.79 1.68 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.78 3.72 2.11 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 0.81 0.00 0.00 0.92 0.00 0.00 19 C 8.64 4.32 0.00 3.23 3.23 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 0.00 0.00 0.00 20 G 8.39 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 0.00 0.00 0.00 21 E 8.90 4.07 0.00 1.96 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 2.30 2.31 0.00 22 R 7.84 3.88 0.00 2.00 2.03 0.00 3.29 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 23 G 8.60 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 0.00 0.00 0.00 24 F 7.64 4.87 0.00 3.27 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 25 F 9.02 4.99 0.00 2.84 3.03 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 26 Y 8.95 4.74 0.00 3.23 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 27 T 7.43 4.08 3.82 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 0.00 0.00 -0.11 0.00 0.00 28 P 0.00 3.98 0.00 2.05 1.72 0.00 3.38 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 29 K 8.40 4.19 0.00 1.99 1.79 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.22 0.99 7.81