NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8686 8.3501 109.7485 46.0073 0.0000 171.9728 2 A 4.1591 7.9197 134.1354 49.4329 22.5365 176.2794 3 W 4.4120 8.7380 114.8401 59.8687 28.3621 176.7915 4 K 3.7628 6.7227 118.4486 59.5946 31.4886 178.8991 5 N 4.4780 7.9462 115.7924 56.0538 38.2536 177.1779 6 F 4.1930 8.0534 121.7227 60.6626 39.7747 177.1209 7 W 4.3333 8.5993 119.1391 59.9287 29.0690 178.7127 8 S 4.2227 7.9762 112.8163 61.3930 62.2274 176.1795 9 S 4.0771 7.8636 115.9055 60.7920 62.2143 176.1314 10 L 4.0257 7.5082 121.6653 57.7484 41.5082 179.4258 11 R 4.3829 8.1272 115.2834 59.1756 28.9844 178.4162 12 K 3.7916 7.7682 118.7764 59.3379 31.7832 178.5683 13 G 3.7220 8.1131 105.3436 47.7889 0.0000 176.0223 14 F 4.3882 7.9719 119.3952 60.4749 38.3721 177.1781 15 Y 4.1697 8.7291 116.8271 60.8547 37.6735 177.8663 16 D 4.7073 8.1780 119.5409 55.8432 40.8650 177.4853 17 G 4.0621 7.3868 116.7648 46.0168 0.0000 174.9007 18 E 4.2472 8.1308 120.5020 59.1188 29.6364 178.8433 19 A 4.2524 8.3426 121.3616 54.4142 18.8452 178.3319 20 G 3.9730 7.9455 102.2776 46.6428 0.0000 174.7146 21 R 3.8539 8.7902 120.1943 59.4284 29.7705 178.4672 22 A 4.1538 7.6685 118.7443 54.7205 18.6058 179.2285 23 I 3.8632 8.0510 118.4611 62.0718 36.8691 177.0366 24 R 4.0334 7.6394 116.5201 56.6731 28.3242 176.3399 25 R 4.0967 7.4757 119.0743 56.5755 29.3024 176.1906 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 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 A 7.92 4.16 1.30 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 0.00 0.00 3 W 8.74 4.41 0.00 3.70 3.35 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 4 K 6.72 3.76 0.00 1.43 1.52 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.65 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.53 0.21 7.81 5 N 7.95 4.48 0.00 2.74 2.86 0.00 0.00 6.76 8.02 0.00 0.00 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 F 8.05 4.19 0.00 3.06 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 7 W 8.60 4.33 0.00 3.77 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 8 S 7.98 4.22 0.00 4.05 4.15 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 9 S 7.86 4.08 0.00 4.04 3.87 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 0.00 0.00 0.00 0.00 10 L 7.51 4.03 0.00 1.95 1.76 0.63 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.13 4.38 0.00 2.09 2.31 0.00 2.40 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 12 K 7.77 3.79 0.00 1.94 1.89 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.62 7.81 13 G 8.11 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.97 4.39 0.00 3.39 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.73 4.17 0.00 3.09 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 16 D 8.18 4.71 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.39 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.13 4.25 0.00 2.09 2.05 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 2.38 2.15 0.00 19 A 8.34 4.25 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.79 3.85 0.00 2.04 1.98 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 22 A 7.67 4.15 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.05 3.86 2.03 0.00 0.00 0.88 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 1.16 0.92 0.00 0.00 24 R 7.64 4.03 0.00 1.97 2.00 0.00 3.36 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 25 R 7.48 4.10 0.00 2.05 1.93 0.00 3.09 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00