NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7552 8.1700 119.7096 53.0895 41.0874 175.7706 2 H 3.7777 8.7621 117.8612 58.6583 29.4962 174.9030 3 Y 3.9146 8.8869 122.1299 60.9921 39.1744 177.3919 4 N 4.3644 9.0165 117.7001 56.2226 38.4998 176.3838 5 C 4.1012 8.4430 120.3940 59.9097 40.3487 175.9654 6 V 3.5571 7.8290 119.6582 66.0819 30.9115 178.0548 7 S 3.9703 7.7145 114.2249 61.2281 62.7040 175.9695 8 S 4.5414 7.8137 113.9495 58.2561 63.1897 174.7161 9 G 3.9142 7.8715 111.1943 45.3952 0.0000 173.7327 10 G 4.0583 7.8019 107.6948 44.5861 0.0000 173.0686 11 Q 4.7180 8.5352 119.8338 54.2860 32.2817 173.6363 12 C 5.0542 8.7426 123.4908 56.2911 37.9579 173.0732 13 L 4.9065 8.7219 123.1666 53.5350 45.3177 177.2792 14 Y 4.3078 9.0724 120.7979 60.2958 38.4453 176.0745 15 S 4.5388 7.8623 112.9918 56.8420 65.1506 173.3262 16 A 4.1702 8.2561 122.4967 52.1975 18.6394 178.2635 17 C 4.3952 8.5442 118.6468 56.2171 37.3518 172.5244 18 P 4.4893 0.0000 0.0000 61.8590 31.8087 175.3645 19 I 3.4392 7.9258 118.7831 63.0157 37.9174 175.5751 20 F 4.2050 8.6059 123.9651 58.0667 35.8892 174.0519 21 T 4.9405 7.7515 109.9614 60.1063 72.2653 172.5002 22 K 4.6628 8.1670 119.6787 55.2100 36.6686 174.7401 23 I 4.2854 8.2366 121.3863 61.0966 38.2505 175.2587 24 Q 4.5259 9.6580 126.8708 54.6002 31.3466 175.5379 25 G 3.8936 7.1430 107.3019 46.2945 0.0000 171.9917 26 T 4.9953 7.4060 107.3157 60.2705 72.0472 173.1621 27 C 4.5753 8.1374 118.5076 56.3981 45.1770 172.8062 28 Y 3.6723 8.5778 116.2533 60.3071 33.9074 170.3107 29 R 3.8914 8.9577 112.5762 57.3250 28.3603 178.3080 30 G 3.9756 8.4135 104.0781 45.6629 0.0000 174.9062 31 K 4.2326 7.9159 117.7052 57.0772 32.8375 176.1831 32 A 4.6559 7.9278 120.5133 49.7396 22.6085 175.1382 33 K 4.5358 8.8201 118.6237 55.1916 34.8380 175.3420 34 C 4.8901 8.8079 124.4801 55.7987 44.9198 171.4982 35 C 5.4369 9.0639 124.8991 55.3442 42.4389 174.1533 36 K 4.1310 8.5837 123.6066 57.0370 31.7687 175.0710 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 D 8.17 4.76 0.00 2.88 2.92 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 2 H 8.76 3.78 0.00 3.25 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.89 3.91 0.00 3.17 3.09 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 4 N 9.02 4.36 0.00 2.88 2.87 0.00 0.00 6.72 7.64 0.00 0.00 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 C 8.44 4.10 0.00 2.95 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.83 3.56 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.79 0.00 0.00 7 S 7.71 3.97 0.00 3.84 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.54 0.00 4.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.87 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 0.00 0.00 0.00 0.00 10 G 7.80 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.54 4.72 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.88 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 12 C 8.74 5.05 0.00 2.74 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.72 4.91 0.00 1.51 1.53 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.07 4.31 0.00 2.98 3.03 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 15 S 7.86 4.54 0.00 4.01 3.97 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 16 A 8.26 4.17 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 17 C 8.54 4.40 0.00 2.96 3.03 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 18 P 0.00 4.49 0.00 2.22 2.18 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 19 I 7.93 3.44 1.59 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.77 0.00 0.00 20 F 8.61 4.20 0.00 3.31 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 4.94 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 22 K 8.17 4.66 0.00 1.79 1.91 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.43 7.81 23 I 8.24 4.29 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.84 0.90 0.00 0.00 24 Q 9.66 4.53 0.00 1.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 25 G 7.14 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.41 5.00 4.28 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 1.17 0.00 0.00 27 C 8.14 4.58 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.58 3.67 0.00 3.04 2.91 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 0.00 29 R 8.96 3.89 0.00 1.99 2.02 0.00 3.45 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 30 G 8.41 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 0.00 0.00 0.00 31 K 7.92 4.23 0.00 2.08 2.11 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.79 1.65 7.81 32 A 7.93 4.66 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.82 4.54 0.00 1.61 1.67 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.33 7.81 34 C 8.81 4.89 0.00 2.88 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 9.06 5.44 0.00 2.84 2.95 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 36 K 8.58 4.13 0.00 1.72 1.59 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.55 7.81