NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.3998 8.2629 120.3486 55.5192 34.2556 178.1998 3 K 4.0335 7.9386 122.8925 59.0858 31.8364 179.8838 4 Q 4.3394 8.8616 120.6063 60.0914 28.6121 182.3548 5 I 3.8918 7.5510 120.5144 64.6338 37.2620 177.9755 6 E 3.9437 8.1738 119.3280 59.8291 29.2860 179.3862 7 D 4.3610 7.9944 118.4234 56.8795 40.7578 178.7863 8 K 3.8953 7.9419 119.7534 59.4782 32.2245 178.5590 9 L 3.9424 8.0087 119.4948 58.1500 41.6274 179.3018 10 E 3.8962 8.3068 118.8422 59.3408 29.5766 178.4816 11 E 4.0015 8.2780 119.3238 58.9240 29.5936 178.7696 12 I 3.6725 8.1000 120.4995 64.4133 37.2203 178.2609 13 L 3.8567 8.1502 120.0291 57.9112 41.4024 179.6312 14 S 4.1591 8.0897 112.9734 61.0791 62.2683 176.3621 15 K 4.0629 8.0752 121.4312 58.9765 31.7141 179.1237 16 L 3.9462 8.0688 119.6209 58.3513 41.7406 179.3677 17 H 4.3025 8.0721 115.8508 59.1806 28.5732 177.4163 18 H 4.2519 8.4814 120.0858 59.2347 29.5792 177.3363 19 I 3.6069 7.7975 121.7512 64.5500 36.8393 178.0122 20 C 4.0831 8.5248 117.9256 62.8879 28.0870 176.0497 21 N 4.2870 8.1813 117.4447 56.5107 38.1706 177.1422 22 E 3.9770 8.1143 120.1534 59.7952 29.5372 179.9694 23 L 4.0147 8.2029 118.5739 57.6016 41.4572 179.2210 24 A 4.0813 8.0724 119.8175 54.0488 18.5820 179.1910 25 R 4.1425 7.5626 113.9464 58.7582 30.1104 178.9663 26 I 3.6090 7.5325 120.1244 64.2035 36.9850 178.0840 27 K 3.8361 7.9908 119.0019 59.6141 31.7712 178.5692 28 K 4.0955 8.0204 118.6743 59.4453 31.7081 179.0739 29 L 3.9532 7.8172 118.7727 58.2081 41.4597 179.7452 30 L 3.9905 7.7182 116.5101 57.0725 41.6972 178.6185 31 G 3.7002 7.7900 108.9655 47.7326 0.0000 174.1682 32 E 4.1517 7.5521 120.4905 56.1996 29.6154 182.0601 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 2 M 8.26 4.40 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 3 K 7.94 4.03 0.00 1.88 1.80 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.13 7.81 4 Q 8.86 4.34 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.01 0.00 5 I 7.55 3.89 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 0.42 0.91 0.00 0.00 6 E 8.17 3.94 0.00 2.12 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 2.33 2.24 0.00 7 D 7.99 4.36 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 3.90 0.00 2.03 1.95 0.00 1.55 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.52 7.81 9 L 8.01 3.94 0.00 1.85 1.72 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.31 3.90 0.00 2.13 2.16 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 2.31 2.19 0.00 11 E 8.28 4.00 0.00 2.18 2.16 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 2.30 2.22 0.00 12 I 8.10 3.67 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.51 0.89 0.00 0.00 13 L 8.15 3.86 0.00 1.76 1.61 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.09 4.16 0.00 3.91 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 4.06 0.00 1.98 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.61 7.81 16 L 8.07 3.95 0.00 1.74 1.70 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.07 4.30 0.00 3.30 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.48 4.25 0.00 3.27 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.80 3.61 1.99 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 1.50 0.43 0.90 0.00 0.00 20 C 8.52 4.08 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.18 4.29 0.00 2.97 2.86 0.00 0.00 6.99 6.96 0.00 0.00 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 E 8.11 3.98 0.00 2.15 1.97 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 2.27 2.30 0.00 23 L 8.20 4.01 0.00 1.81 1.71 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.07 4.08 1.34 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 0.00 0.00 0.00 25 R 7.56 4.14 0.00 2.23 2.38 0.00 2.90 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 26 I 7.53 3.61 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.10 0.91 0.00 0.00 27 K 7.99 3.84 0.00 1.79 1.90 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.51 7.81 28 K 8.02 4.10 0.00 2.05 1.83 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.46 1.35 7.81 29 L 7.82 3.95 0.00 2.03 1.74 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.72 3.99 0.00 1.65 1.72 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.79 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.55 4.15 0.00 1.83 1.74 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 2.26 2.13 0.00