NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2988 8.3033 121.4700 56.0089 32.0776 177.7909 2 K 3.7756 7.9988 118.5346 58.9761 32.1352 177.3665 3 M 4.1262 8.1512 117.7722 58.2427 32.5872 177.7277 4 S 4.1489 7.9089 113.5593 61.3152 62.7674 175.5531 5 T 4.1067 8.1477 111.6567 63.7239 68.8167 176.5114 6 A 4.1483 7.7927 123.8951 54.4779 18.5253 179.5184 7 I 3.7405 7.7565 112.0339 64.2070 37.8579 178.4942 8 S 4.0809 7.9637 114.6228 60.8169 62.2247 176.2150 9 V 3.5806 7.6524 120.6176 65.9011 31.3192 177.6358 10 L 3.9374 7.6713 118.1811 58.2570 41.5722 179.6518 11 L 4.0172 7.7490 118.2630 57.6154 41.4715 179.3321 12 A 3.9943 7.9818 120.7854 55.6545 18.3749 179.7335 13 Q 4.0579 8.1466 115.7116 59.0033 28.5057 179.0459 14 A 4.0540 7.6931 121.1429 55.1979 18.6574 179.4857 15 V 3.7455 7.8870 116.7187 65.6443 31.5733 177.8289 16 F 3.8870 8.2242 120.6645 61.4115 39.3918 177.0309 17 L 4.1014 8.2927 118.4270 57.4600 41.3764 179.5893 18 L 3.9000 7.7693 120.8441 58.0987 42.1613 178.9981 19 L 3.9776 7.6959 119.0453 58.7167 40.0671 179.1973 20 T 3.7051 7.2924 116.5224 66.4462 68.4826 176.3991 21 S 4.2550 7.6125 114.3707 61.6477 63.3196 176.0801 22 Q 4.2380 7.8410 119.2387 56.5659 28.5209 176.4341 23 R 4.1569 7.7080 122.1739 56.3096 29.7061 174.7590 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 0.85 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 1.76 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 3.99 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 4.06 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.44 0.00 0.00 0.00 0.00 0.00 2.36 2.50 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 8.22 3.89 0.00 3.14 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.10 0.00 1.79 1.77 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.77 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 7.70 3.98 0.00 1.80 1.77 0.48 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.29 3.71 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 21 S 7.61 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 7.84 4.24 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 23 R 7.71 4.16 0.00 1.82 1.79 0.00 3.04 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00