NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7184 8.3244 115.8322 56.8997 39.1689 175.2412 2 Q 4.1809 8.6270 126.4500 53.8773 27.4844 171.9030 3 W 4.8180 8.5262 119.1612 55.0035 30.3436 176.5888 4 Q 4.3143 8.5100 130.7933 56.4283 27.4379 175.5639 5 R 3.7859 7.8554 108.6789 57.0730 29.0356 177.9434 6 N 4.8010 7.6462 114.1756 52.8141 39.4235 173.3053 7 I 3.9931 6.7823 118.9573 59.3330 40.3209 176.3145 8 R 3.8312 7.7770 119.6726 57.5916 28.6783 176.2689 9 K 4.6607 7.6963 110.9509 55.8294 33.6968 178.2875 10 V 3.9921 7.7162 111.0161 60.4388 30.4938 176.8399 11 R 4.1792 7.5744 123.0167 56.3147 30.0602 175.2031 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 4.72 0.00 2.76 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 2 Q 8.63 4.18 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 3 W 8.53 4.82 0.00 3.65 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 4 Q 8.51 4.31 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 5 R 7.86 3.79 0.00 2.05 2.05 0.00 3.05 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 6 N 7.65 4.80 0.00 2.58 2.64 0.00 0.00 7.30 7.43 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 7 I 6.78 3.99 1.42 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.52 0.00 0.00 8 R 7.78 3.83 0.00 1.82 1.90 0.00 3.19 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 9 K 7.70 4.66 0.00 1.65 1.69 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.37 7.81 10 V 7.72 3.99 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 0.75 0.00 0.00 0.92 0.00 0.00 11 R 7.57 4.18 0.00 1.72 1.75 0.00 3.26 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 1.50 1.57 0.00