NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0055 8.0393 120.3863 62.8578 33.1456 175.9014 2 Q 4.1836 8.3782 125.5294 53.9284 27.5725 175.1805 3 C 4.6635 7.2514 116.6761 54.9903 46.6204 172.6904 4 P 4.5463 0.0000 0.0000 62.2194 32.2468 176.7973 5 H 4.2583 8.8555 118.0227 59.4650 29.6764 177.0674 6 F 4.1636 8.2272 115.9404 60.3003 37.1980 177.7382 7 C 3.8548 6.2923 115.6694 59.3924 39.8963 174.6875 8 Y 4.4710 7.5053 115.4216 58.1558 38.0520 177.0384 9 E 4.3326 7.7990 119.4755 58.1775 31.4410 177.8584 10 L 4.3504 7.7584 121.5022 52.8081 38.4458 176.8772 11 D 4.7968 8.0896 121.1025 57.2178 41.6221 177.7287 12 Y 4.1285 7.0674 116.2627 57.1976 38.7333 176.9946 13 E 4.1636 8.2911 122.1833 55.6866 27.9313 176.9779 14 L 4.2450 7.4480 119.6121 57.8659 41.7985 179.0005 15 C 4.7223 7.9392 115.9382 54.5954 38.8081 171.4478 16 P 4.5630 0.0000 0.0000 62.7945 31.5667 177.0793 17 D 4.7925 8.9495 120.3035 57.6308 41.0226 179.2158 18 V 3.5923 7.9874 117.4798 65.0228 31.2916 177.9550 19 C 4.1577 7.9632 117.1411 59.8300 40.1149 174.2684 20 Y 4.5433 7.8691 114.4172 59.3079 38.6277 176.0156 21 V 4.0676 8.0595 122.5025 61.6948 31.5345 175.2236 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 V 8.04 4.01 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 1.07 0.00 0.00 0.88 0.00 0.00 2 Q 8.38 4.18 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.48 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 3 C 7.25 4.66 0.00 2.76 2.93 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 4 P 0.00 4.55 0.00 2.08 2.15 0.00 3.40 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.79 0.00 5 H 8.86 4.26 0.00 3.25 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.23 4.16 0.00 3.27 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 C 6.29 3.85 0.00 1.93 2.35 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 8 Y 7.51 4.47 0.00 2.98 2.93 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 9 E 7.80 4.33 0.00 2.08 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 2.33 0.00 10 L 7.76 4.35 0.00 1.45 0.96 0.96 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.09 4.80 0.00 2.70 2.79 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 0.00 0.00 0.00 12 Y 7.07 4.13 0.00 3.16 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 4.16 0.00 1.92 1.94 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 1.47 1.94 0.00 14 L 7.45 4.24 0.00 1.81 1.95 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 C 7.94 4.72 0.00 2.90 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 16 P 0.00 4.56 0.00 2.21 2.19 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 17 D 8.95 4.79 0.00 2.85 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.99 3.59 2.07 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 0.63 0.00 0.00 0.96 0.00 0.00 19 C 7.96 4.16 0.00 1.98 1.96 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 20 Y 7.87 4.54 0.00 3.01 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 21 V 8.06 4.07 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 0.86 0.00 0.00 0.97 0.00 0.00