NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4630 8.1627 120.3265 55.0953 34.2627 176.7563 2 T 3.6568 7.9004 115.8651 64.7467 67.0542 172.4444 3 E 4.0928 9.0682 120.4436 58.5935 29.6117 178.0094 4 E 3.6996 7.9632 118.6617 58.0340 29.6307 177.8620 5 M 3.9197 8.1987 116.8981 56.7870 31.8021 178.0758 6 L 3.7508 7.8444 119.7809 57.8231 41.6322 178.6609 7 Y 4.3517 7.5185 116.5168 59.3619 38.1704 177.6692 8 A 3.9376 6.7419 121.4808 54.5368 18.7479 179.2394 9 A 4.1449 8.8890 120.6044 55.3372 18.8587 179.4921 10 L 3.9988 7.5918 116.8418 58.3877 41.7011 179.9704 11 L 4.1460 7.9613 118.5049 57.7841 41.3010 179.7899 12 S 4.1592 7.9123 113.9952 62.1250 63.1378 175.8211 13 F 4.2405 8.6414 123.0046 61.0783 38.9761 176.6976 14 G 4.0312 8.8938 104.6071 48.4682 0.0000 174.9647 15 L 4.0782 8.0986 121.8498 57.5478 41.6821 179.8089 16 I 3.5936 7.9124 119.4756 64.7075 37.0447 178.5027 17 F 4.5349 8.9126 118.6640 60.2276 38.6979 178.1517 18 V 3.7642 7.9602 117.9776 65.8096 31.4702 178.2326 19 G 3.5418 8.7334 105.8293 47.5288 0.0000 175.1459 20 W 4.5238 8.7617 132.1120 60.5019 30.5319 177.6031 21 G 3.7061 8.6761 105.3544 48.4182 0.0000 175.3141 22 L 3.9614 8.2705 121.8806 56.9121 41.5583 180.1847 23 G 3.5847 8.1384 105.8698 47.8341 0.0000 175.5520 24 V 3.6108 8.0837 121.7190 65.6036 31.5293 177.5276 25 L 3.9368 8.6898 120.1216 58.4038 41.5869 179.2229 26 L 3.9583 7.8781 117.8546 57.8260 41.8699 179.0021 27 L 4.3075 8.1958 119.1457 58.0384 41.6202 179.6511 28 K 3.9245 8.5133 118.8559 59.1576 31.7611 177.7472 29 I 4.6357 7.3875 111.4760 60.7998 39.0527 176.2990 30 Q 4.3956 8.0789 116.4830 56.6228 33.8174 174.1227 31 G 3.9191 8.0725 108.3927 45.9329 0.0000 172.9442 32 A 4.5253 8.2921 129.2542 50.0536 19.4566 176.4111 33 E 4.2392 8.4903 121.6775 57.1408 30.0613 175.4769 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 M 8.16 4.46 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 2 T 7.90 3.66 4.23 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 0.00 0.00 0.00 1.21 0.00 0.00 3 E 9.07 4.09 0.00 2.09 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 2.44 2.44 0.00 4 E 7.96 3.70 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 5 M 8.20 3.92 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.70 0.00 6 L 7.84 3.75 0.00 1.73 1.80 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.52 4.35 0.00 3.11 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.74 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.89 4.14 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.59 4.00 0.00 1.81 1.81 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.96 4.15 0.00 1.92 1.82 1.26 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.91 4.16 0.00 4.00 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 13 F 8.64 4.24 0.00 3.25 3.23 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 0.00 0.00 0.00 0.00 14 G 8.89 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.10 4.08 0.00 1.95 1.84 0.97 1.17 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 16 I 7.91 3.59 1.56 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.64 0.34 0.00 0.00 17 F 8.91 4.53 0.00 3.28 3.24 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 0.00 18 V 7.96 3.76 2.35 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 1.10 0.00 0.00 1.09 0.00 0.00 19 G 8.73 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.76 4.52 0.00 3.28 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.68 3.71 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 0.00 0.00 0.00 22 L 8.27 3.96 0.00 1.75 1.77 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.14 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.08 3.61 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 0.93 0.00 0.00 0.92 0.00 0.00 25 L 8.69 3.94 0.00 1.82 1.82 0.91 0.78 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 26 L 7.88 3.96 0.00 1.99 1.73 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.20 4.31 0.00 1.87 1.74 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.51 3.92 0.00 2.00 1.87 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.46 7.81 29 I 7.39 4.64 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 1.83 0.59 0.95 0.00 0.00 30 Q 8.08 4.40 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.20 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 31 G 8.07 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 0.00 0.00 0.00 32 A 8.29 4.53 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 4.24 0.00 1.89 1.77 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 2.18 2.26 0.00