NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2331 8.3144 121.7914 56.5211 34.3186 176.7307 2 S 4.0997 7.9471 113.0706 59.3686 62.3116 172.2288 3 S 4.7285 6.9857 115.7394 56.3888 70.0800 173.2441 4 A 4.9169 7.2782 125.3267 52.6177 21.5416 176.3612 5 Y 4.5867 8.5532 121.0761 56.0964 38.3604 174.6734 6 S 4.7328 7.9046 115.9867 56.7191 64.5630 173.6078 7 L 4.1724 8.5038 125.3720 56.3104 41.2569 173.3440 8 Q 3.6201 8.4837 125.8924 55.5512 28.7345 171.2993 9 M 4.8019 8.9677 122.0130 56.6818 40.4417 176.1013 10 G 3.4271 7.3124 101.2320 47.3277 0.0000 174.4190 11 A 5.4101 7.8609 131.6049 53.5808 19.2253 179.6366 12 T 3.8052 7.5079 112.2770 66.8232 69.0775 176.3883 13 A 3.9443 8.3166 122.8692 55.5728 18.1640 179.2723 14 I 3.6106 7.2213 118.5005 64.6051 37.2213 178.4343 15 K 3.9271 8.5224 119.5260 60.2567 32.3877 179.0522 16 Q 4.0263 8.2339 119.4549 57.9265 28.5346 179.0412 17 V 3.5471 7.6266 120.1395 66.1357 31.4939 178.1892 18 K 4.0103 8.0681 118.0737 59.7146 32.1321 178.9134 19 K 3.9844 7.9809 120.3017 58.4891 32.3500 177.8541 20 L 4.1664 7.7093 119.0937 56.9896 40.8455 178.3578 21 F 3.5751 7.9584 118.9186 59.0749 38.6884 177.2985 22 K 4.0113 8.1623 117.9592 59.3839 32.0360 178.0780 23 K 4.3592 7.3438 117.4575 58.6410 33.3456 178.0484 24 W 4.2398 7.9347 119.0708 59.0871 29.3303 177.8343 25 G 3.9195 8.9566 105.4112 45.1491 0.0000 173.1821 26 W 4.2356 8.8418 127.3769 58.0326 31.7361 174.0732 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 K 8.31 4.23 0.00 1.71 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.36 7.81 2 S 7.95 4.10 0.00 3.88 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 6.99 4.73 0.00 3.94 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.28 4.92 1.36 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 0.00 0.00 5 Y 8.55 4.59 0.00 2.84 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 6 S 7.90 4.73 0.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.50 4.17 0.00 1.80 1.79 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.48 3.62 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 9 M 8.97 4.80 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 10 G 7.31 3.43 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 0.00 0.00 0.00 11 A 7.86 5.41 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 12 T 7.51 3.81 4.23 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 1.20 0.00 0.00 13 A 8.32 3.94 1.32 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 14 I 7.22 3.61 2.11 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 1.57 0.77 0.89 0.00 0.00 15 K 8.52 3.93 0.00 1.94 2.08 0.00 1.19 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.68 7.81 16 Q 8.23 4.03 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 17 V 7.63 3.55 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 1.08 0.00 0.00 0.97 0.00 0.00 18 K 8.07 4.01 0.00 1.98 1.90 0.00 1.22 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.83 7.81 19 K 7.98 3.98 0.00 1.75 1.92 0.00 1.96 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.57 7.81 20 L 7.71 4.17 0.00 1.74 1.70 -0.48 0.58 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 21 F 7.96 3.58 0.00 3.06 3.05 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 0.00 0.00 0.00 0.00 22 K 8.16 4.01 0.00 1.93 2.08 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.47 7.81 23 K 7.34 4.36 0.00 2.09 2.01 0.00 1.99 0.00 0.00 1.94 0.00 0.00 3.07 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.35 1.48 7.81 24 W 7.93 4.24 0.00 3.24 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 25 G 8.96 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 0.00 0.00 0.00 26 W 8.84 4.24 0.00 3.36 3.21 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