NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2536 8.2985 121.4709 55.9086 31.6079 177.5188 2 A 3.8398 8.1242 120.6403 53.6213 18.5267 176.1006 3 D 4.9013 7.7592 113.7040 53.8127 42.6798 173.8763 4 C 3.9175 7.7438 112.8154 58.9923 29.7643 173.6495 5 G 4.0926 8.6038 107.0277 46.1795 0.0000 173.2614 6 L 4.5319 7.2895 119.3223 52.2311 41.9219 176.4073 7 R 4.1262 8.6294 123.9547 55.2843 30.4871 176.8168 8 P 4.2876 0.0000 0.0000 65.4896 31.4088 177.0618 9 L 4.2835 7.8555 115.8045 54.5611 42.4838 176.3790 10 F 4.5752 7.6769 114.6573 57.5526 41.3996 176.4528 11 E 3.9941 9.4030 123.5654 60.3026 30.0856 179.7437 12 K 4.2111 7.9201 113.9462 57.7951 31.7910 177.8128 13 K 4.5673 8.4050 118.9447 56.5929 33.0640 176.4569 14 S 4.0902 8.0163 112.5516 60.3709 61.0588 172.1317 15 L 4.7112 7.2815 118.3056 53.1056 43.3698 176.6596 16 E 4.7844 8.5724 122.1300 55.2945 31.4232 174.9896 17 D 4.7707 8.4889 119.9065 52.7415 42.3183 177.2053 18 K 4.0635 8.7119 123.0422 59.2676 32.4356 177.5804 19 T 4.5980 7.5993 105.0325 60.6157 70.0575 175.0552 20 E 3.9165 8.2011 121.8209 59.4562 30.0321 179.0141 21 R 3.8312 8.1792 116.3901 59.5224 28.7334 178.2060 22 E 3.9159 7.9442 118.7752 58.7831 29.9065 178.5988 23 L 3.9216 7.9426 119.4856 57.6803 41.7132 179.3800 24 L 3.7380 7.6374 118.3775 57.6272 41.5416 178.9588 25 E 4.1388 8.0006 117.4597 58.1654 29.1216 178.5605 26 S 4.2480 7.5023 113.9291 59.9145 63.3474 175.2413 27 Y 4.6693 7.3607 119.4702 59.7453 37.7402 176.5145 28 I 4.4330 7.3153 118.7119 60.9538 38.8766 175.1380 29 D 4.5763 7.6147 124.0709 54.2882 41.0553 175.8207 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 E 8.30 4.25 0.00 2.02 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 2.28 2.32 0.00 2 A 8.12 3.84 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 3 D 7.76 4.90 0.00 2.60 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.74 3.92 0.00 3.14 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.60 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 0.00 0.00 0.00 6 L 7.29 4.53 0.00 1.74 1.66 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.63 4.13 0.00 2.26 2.09 0.00 3.14 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 8 P 0.00 4.29 0.00 2.18 2.20 0.00 3.82 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 2.02 2.01 0.00 9 L 7.86 4.28 0.00 1.54 1.25 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.68 4.58 0.00 3.05 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 11 E 9.40 3.99 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 12 K 7.92 4.21 0.00 2.06 1.87 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.36 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.41 7.81 13 K 8.40 4.57 0.00 1.81 1.89 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.29 1.36 7.81 14 S 8.02 4.09 0.00 4.03 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 15 L 7.28 4.71 0.00 1.45 1.57 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.57 4.78 0.00 2.01 1.94 0.00 0.00 0.00 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 2.36 0.00 17 D 8.49 4.77 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.71 4.06 0.00 1.72 1.83 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 19 T 7.60 4.60 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 20 E 8.20 3.92 0.00 2.11 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 0.00 2.39 2.28 0.00 21 R 8.18 3.83 0.00 2.00 2.25 0.00 3.24 0.00 0.00 3.56 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 22 E 7.94 3.92 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 23 L 7.94 3.92 0.00 1.66 1.49 0.87 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.64 3.74 0.00 1.65 1.76 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.00 4.14 0.00 2.11 1.95 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 2.31 2.46 0.00 26 S 7.50 4.25 0.00 3.98 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.36 4.67 0.00 3.21 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 28 I 7.32 4.43 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.66 0.93 0.00 0.00 29 D 7.61 4.58 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00