NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2680 8.1849 120.9774 55.9485 43.9711 177.3974 2 V 2.0000 6.6845 112.7975 58.3609 30.5169 175.7174 3 G 2.4151 6.8867 114.0055 47.8993 0.0000 173.5259 4 W 4.3005 7.9097 117.6428 59.6259 28.5163 177.7840 5 S 4.6152 6.2309 116.5895 56.6229 61.9791 173.8456 6 R 4.5495 7.3150 121.6816 57.7480 36.6356 174.5619 7 Y 4.5536 7.6343 117.4924 60.1587 38.5831 177.7773 8 I 4.0066 7.8613 117.2504 63.6949 38.1424 176.0228 9 P 4.6291 0.0000 0.0000 64.0067 31.5320 176.6201 10 E 4.1488 8.3001 122.9237 57.0668 28.0691 176.3311 11 G 3.9515 8.7515 111.9730 46.6351 0.0000 170.2421 12 M 3.5567 7.8476 125.4328 56.6457 32.5235 177.9907 13 Q 4.0184 8.2256 115.2157 59.5411 28.9965 179.1419 14 C 4.5422 7.2571 113.3762 59.3931 28.7130 173.5649 15 S 4.7627 7.3717 115.1859 59.4923 67.6303 174.6758 16 C 4.8820 8.9954 109.4715 59.0167 36.1279 175.1107 17 G 3.7153 8.2399 107.5898 44.8880 0.0000 171.6511 18 I 3.2488 7.9858 123.2943 60.9782 34.2478 173.5735 19 D 4.4379 8.5905 124.1476 56.8704 42.4389 177.2349 20 Y 4.0813 8.3707 116.8798 59.3851 37.2076 177.1099 21 Y 4.0634 9.3046 122.4596 62.4024 39.1477 178.5130 22 T 4.0865 8.0297 114.3382 66.4624 68.7451 174.3294 23 P 4.1804 0.0000 0.0000 63.8510 31.3176 176.9627 24 H 4.5127 7.7943 113.6106 55.3956 30.1205 172.5790 25 E 4.4749 8.0632 126.7263 58.0610 31.0993 177.8653 26 E 4.6875 7.8845 117.1228 56.0407 29.3755 176.2980 27 T 3.1439 6.2210 113.1750 61.6677 69.7552 170.9757 28 N 4.4557 6.6260 123.8283 54.3267 45.7800 173.9049 29 N 4.4746 8.7346 117.5314 55.3969 38.4169 176.1282 30 E 4.0555 8.9275 116.8910 58.8583 30.9840 179.4007 31 S 4.5032 5.8813 113.6599 55.8270 63.3005 174.2603 32 F 4.6852 8.1033 107.0835 56.1878 38.2630 173.5004 33 V 3.1458 8.6270 122.3162 63.7651 32.1475 171.5757 34 I 3.4976 8.2380 119.5526 61.3008 38.5127 172.6692 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 4.27 0.00 1.76 1.74 0.90 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 2 V 6.68 2.00 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 0.39 0.00 0.00 0.65 0.00 0.00 3 G 6.89 2.42 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 4 W 7.91 4.30 0.00 3.57 3.37 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 5 S 6.23 4.62 0.00 3.59 3.82 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 6 R 7.32 4.55 0.00 1.58 1.76 0.00 3.47 0.00 0.00 3.43 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 7 Y 7.63 4.55 0.00 3.02 2.82 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 I 7.86 4.01 2.06 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.89 1.10 0.00 0.00 9 P 0.00 4.63 0.00 2.13 1.90 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.64 0.00 10 E 8.30 4.15 0.00 2.31 2.02 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 2.32 2.27 0.00 11 G 8.75 3.95 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 12 M 7.85 3.56 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 13 Q 8.23 4.02 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.51 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 14 C 7.26 4.54 0.00 2.97 2.98 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 15 S 7.37 4.76 0.00 3.82 3.83 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 16 C 9.00 4.88 0.00 3.09 2.98 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 17 G 8.24 3.72 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 0.00 0.00 0.00 18 I 7.99 3.25 2.04 0.00 0.00 0.93 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 1.09 1.28 0.00 0.00 19 D 8.59 4.44 0.00 2.64 2.75 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 20 Y 8.37 4.08 0.00 3.13 2.68 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 Y 9.30 4.06 0.00 3.06 3.12 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 22 T 8.03 4.09 4.43 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 0.00 0.00 0.00 1.24 0.00 0.00 23 P 0.00 4.18 0.00 1.62 1.85 0.00 3.99 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 24 H 7.79 4.51 0.00 3.01 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.06 4.47 0.00 1.55 1.12 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 1.92 2.14 0.00 26 E 7.88 4.69 0.00 2.05 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 0.00 2.55 2.48 0.00 27 T 6.22 3.14 3.91 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 1.06 0.00 0.00 28 N 6.63 4.46 0.00 2.68 2.80 0.00 0.00 7.00 7.50 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 29 N 8.73 4.47 0.00 2.77 2.69 0.00 0.00 7.69 7.60 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 30 E 8.93 4.06 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 2.27 2.38 0.00 31 S 5.88 4.50 0.00 3.46 3.25 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 F 8.10 4.69 0.00 3.05 2.97 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 0.00 0.00 0.00 33 V 8.63 3.15 2.33 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 0.76 0.00 0.00 1.10 0.00 0.00 34 I 8.24 3.50 1.81 0.00 0.00 0.81 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 0.65 0.89 0.00 0.00