NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2989 8.3033 121.4700 56.0102 32.0776 177.7920 2 K 3.7756 8.0000 118.5332 58.9751 32.1363 177.3664 3 M 4.1272 8.1509 117.7668 58.2367 32.5854 177.7248 4 S 4.1494 7.9087 113.5589 61.3142 62.7676 175.5468 5 T 4.1083 8.1482 111.6459 63.7136 68.8223 176.5077 6 A 4.1495 7.7910 123.8888 54.4740 18.5287 179.5161 7 I 3.7414 7.7550 112.0339 64.2044 37.8584 178.4930 8 S 4.0808 7.9629 114.6251 60.8184 62.2232 176.2140 9 V 3.5806 7.6518 120.6153 65.9032 31.3176 177.6348 10 L 3.9363 7.6709 118.1778 58.2575 41.5721 179.6529 11 L 4.0167 7.7481 118.2611 57.6158 41.4715 179.3260 12 A 3.9952 7.9834 120.7848 55.6586 18.3735 179.7326 13 Q 4.0537 8.1474 115.7097 59.0037 28.5062 179.0462 14 A 4.0541 7.6938 121.1421 55.1971 18.6565 179.4839 15 V 3.7474 7.8874 116.7170 65.6412 31.5741 177.8303 16 F 3.8797 8.2262 120.6649 61.4120 39.3916 177.0325 17 L 4.1174 8.2997 118.4267 57.4597 41.3766 179.5877 18 L 3.9040 7.7790 120.8529 58.1008 42.1617 178.9964 19 L 3.9813 7.7051 119.0442 58.7154 40.0684 179.1963 20 T 3.7196 7.3212 116.5319 66.4548 68.4862 176.3983 21 S 4.2589 7.6242 114.3792 61.6481 63.3210 176.0772 22 Q 4.2125 7.8106 118.9792 56.6504 28.5216 176.2410 23 R 4.1214 7.7120 125.7601 56.4665 30.5058 174.2114 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 E 8.30 4.30 0.00 2.06 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 2.27 2.40 0.00 2 K 8.00 3.78 0.00 1.96 1.83 0.00 1.61 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.61 7.81 3 M 8.15 4.13 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 4 S 7.91 4.15 0.00 3.93 4.12 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 5 T 8.15 4.11 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 1.31 0.00 0.00 6 A 7.79 4.15 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.76 3.74 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 1.66 1.13 0.97 0.00 0.00 8 S 7.96 4.08 0.00 3.91 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 9 V 7.65 3.58 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.96 0.00 0.00 10 L 7.67 3.94 0.00 1.90 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.75 4.02 0.00 1.75 1.74 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.98 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.15 4.05 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.44 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 14 A 7.69 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 3.75 2.23 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 0.99 0.00 0.00 1.00 0.00 0.00 16 F 8.23 3.88 0.00 3.14 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.12 0.00 1.80 1.77 0.96 0.57 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 18 L 7.78 3.90 0.00 1.72 1.84 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.71 3.98 0.00 1.80 1.77 0.51 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.32 3.72 4.36 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 1.23 0.00 0.00 21 S 7.62 4.26 0.00 4.05 3.98 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 22 Q 7.81 4.21 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 23 R 7.71 4.12 0.00 1.67 1.87 0.00 3.19 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00