NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5529 8.3644 120.5307 53.2246 42.4388 176.7515 4 S 4.6773 8.5018 122.7331 56.5813 65.8100 170.3765 5 I 4.2591 8.9033 121.7189 60.3699 38.9105 174.7245 6 L 4.8493 8.1835 124.6070 53.1371 43.5092 177.2579 7 S 4.4775 8.8361 118.1155 57.7252 65.3308 175.2629 8 Q 3.9051 8.6025 122.4370 59.2661 28.5259 178.4616 9 A 4.1055 7.8760 121.3431 55.3069 18.3780 179.3638 10 E 3.9379 7.9246 115.7633 59.4759 29.8749 179.4064 11 I 3.9048 8.0304 120.4159 64.3373 37.1710 177.9911 12 D 4.3760 8.3512 119.8038 57.1991 40.3582 178.4741 13 A 4.0203 7.4708 120.9207 54.6796 18.4878 178.7700 14 L 4.5747 7.7891 113.5063 55.8037 41.5974 176.6928 15 L 4.6842 7.9240 117.2731 54.3555 44.2275 176.2080 16 N 4.5927 8.0334 120.1166 53.2362 38.8281 174.1927 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 3 D 8.36 4.55 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.50 4.68 0.00 3.88 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.90 4.26 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 1.41 0.69 0.91 0.00 0.00 6 L 8.18 4.85 0.00 1.62 1.57 0.92 0.97 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 7 S 8.84 4.48 0.00 4.05 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.60 3.91 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 9 A 7.88 4.11 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 10 E 7.92 3.94 0.00 2.10 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 2.34 2.35 0.00 11 I 8.03 3.90 2.03 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 1.52 1.28 0.91 0.00 0.00 12 D 8.35 4.38 0.00 2.85 2.72 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 13 A 7.47 4.02 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 14 L 7.79 4.57 0.00 1.78 1.76 0.92 0.61 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 15 L 7.92 4.68 0.00 1.80 1.70 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.03 4.59 0.00 2.78 2.68 0.00 0.00 6.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00