NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3595 8.1844 120.6284 54.7424 43.4487 174.5401 2 L 4.3954 8.2484 116.9561 55.1167 44.5365 178.0578 3 I 3.8166 8.5133 113.4338 63.7901 38.0215 177.3261 4 E 4.0697 8.0944 120.2065 59.3552 29.2342 178.9088 5 T 3.8316 7.8270 114.5779 66.2616 68.7948 176.3057 6 A 4.1761 7.9418 122.3814 55.4885 18.5989 178.9436 7 S 4.0799 8.0633 112.8890 62.5822 62.8879 177.0421 8 S 4.1877 8.1199 117.7333 61.3234 62.5648 176.5382 9 L 3.9326 7.5207 123.6228 58.4746 41.8032 179.3285 10 V 3.6335 7.7356 117.2832 65.4962 31.5012 178.3035 11 K 3.9559 7.8214 118.0694 59.6420 32.1944 178.9695 12 N 4.4106 8.3109 116.2704 55.9334 38.1197 177.4780 13 A 4.0208 7.4329 121.8859 55.0271 18.3431 179.4757 14 I 3.8160 7.6988 118.1797 64.5893 36.6836 178.4719 15 Q 4.0360 7.8673 118.3413 58.5225 29.7347 177.4095 16 L 4.5626 7.5531 120.6627 53.4132 39.9645 174.4973 17 S 4.5522 7.3284 124.8309 59.0947 67.6472 178.0749 18 I 3.8489 7.5526 111.9875 62.8771 38.6558 176.4936 19 E 4.1712 7.7320 123.2182 56.6554 27.1663 176.0595 20 Q 3.3016 8.4594 114.8852 56.4601 28.4774 172.5647 21 L 3.6601 7.3213 113.2433 55.5193 40.9108 174.4198 22 V 3.8800 7.6759 121.5121 63.0548 31.3725 175.0003 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 L 8.18 4.36 0.00 1.63 1.73 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.25 4.40 0.00 1.74 1.57 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.51 3.82 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 1.64 0.31 0.91 0.00 0.00 4 E 8.09 4.07 0.00 2.00 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 2.39 2.34 0.00 5 T 7.83 3.83 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 A 7.94 4.18 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 7 S 8.06 4.08 0.00 4.10 3.86 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 8 S 8.12 4.19 0.00 3.94 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.52 3.93 0.00 1.86 1.67 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.74 3.63 2.19 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 0.98 0.00 0.00 0.97 0.00 0.00 11 K 7.82 3.96 0.00 1.98 1.84 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.65 1.47 7.81 12 N 8.31 4.41 0.00 2.75 2.87 0.00 0.00 6.99 7.41 0.00 0.00 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 7.43 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.70 3.82 2.01 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 1.11 0.91 0.00 0.00 15 Q 7.87 4.04 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.16 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 16 L 7.55 4.56 0.00 1.62 1.67 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.33 4.55 0.00 3.83 4.02 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 0.00 0.00 0.00 0.00 18 I 7.55 3.85 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 1.28 0.58 0.91 0.00 0.00 19 E 7.73 4.17 0.00 2.21 1.90 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 2.30 2.24 0.00 20 Q 8.46 3.30 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 21 L 7.32 3.66 0.00 1.75 1.67 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.68 3.88 2.12 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 0.78 0.00 0.00 1.03 0.00 0.00