NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.4275 8.3331 118.3600 58.2027 30.9925 175.4521 2 G 3.5783 8.0178 107.3617 44.6668 0.0000 171.8946 3 G 3.6294 8.9458 113.5713 45.9156 0.0000 171.2402 4 A 4.4164 8.2500 121.3302 51.5162 19.9948 176.4861 5 C 4.8685 7.4409 112.5489 55.2865 40.6571 172.4130 6 Y 4.8692 8.6706 116.9443 56.7387 42.5980 173.5981 7 C 5.6459 8.7224 117.8621 55.5715 42.3659 173.8636 8 R 5.2389 9.4837 122.2212 54.5338 34.3092 174.2514 9 I 4.8353 8.6413 122.4530 59.1737 39.2714 173.8231 10 P 4.4734 0.0000 0.0000 63.4715 32.2443 174.8539 11 A 4.6609 7.4386 119.7960 50.6531 22.1678 175.8850 12 C 4.5548 8.5284 117.2499 56.9728 38.8756 173.7427 13 I 4.1442 8.2268 115.3082 59.0161 39.2164 174.8338 14 A 4.0010 8.1699 123.3187 53.8723 18.4176 178.0229 15 G 4.0256 9.1678 110.5233 45.0041 0.0000 173.0271 16 E 4.9895 7.4481 117.6797 54.3563 32.5672 175.0724 17 R 4.6360 8.7842 121.3675 54.3347 33.4192 174.5878 18 R 4.5798 8.4249 125.7170 56.6804 30.1930 175.4415 19 Y 4.4256 9.7112 124.0251 57.3169 39.3294 177.5765 20 G 4.2022 7.3227 106.6360 46.5071 0.0000 171.0614 21 T 5.3156 8.2805 118.1545 62.1567 72.6773 174.2389 22 C 4.9923 9.6247 122.5534 55.4660 43.2469 173.0232 23 I 5.0898 8.3955 123.2328 60.0316 38.4561 174.7914 24 Y 4.6626 9.2451 128.8743 57.0631 41.4362 175.0035 25 Q 3.1165 9.5082 126.6117 56.9532 26.3584 174.7571 26 G 3.9625 8.9128 103.9563 45.3564 0.0000 173.2114 27 R 4.7357 8.0244 115.4529 54.4020 32.8163 173.2863 28 L 5.4252 8.1792 117.0405 53.3294 43.4175 176.4755 29 W 5.3232 9.2974 121.2593 54.6614 34.2648 174.2492 30 A 4.5491 9.2008 124.7749 52.0662 19.3734 176.4034 31 F 5.1374 9.3108 125.7955 57.3045 40.9557 173.8593 32 C 5.5662 9.0323 124.1830 55.3219 41.4306 173.8241 33 C 4.5391 9.2516 119.5079 57.1855 42.0697 173.9508 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 C 8.33 4.43 0.00 2.95 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 2 G 8.02 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 3 G 8.95 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.25 4.42 1.13 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 0.00 0.00 5 C 7.44 4.87 0.00 2.40 2.11 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.67 4.87 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.72 5.65 0.00 2.28 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.48 5.24 0.00 1.89 1.91 0.00 3.20 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 9 I 8.64 4.84 1.58 0.00 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.14 0.73 0.00 0.00 10 P 0.00 4.47 0.00 2.15 2.13 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 11 A 7.44 4.66 1.23 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 0.00 0.00 12 C 8.53 4.55 0.00 2.99 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.23 4.14 1.84 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 1.42 0.84 0.87 0.00 0.00 14 A 8.17 4.00 1.25 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 0.00 0.00 15 G 9.17 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 16 E 7.45 4.99 0.00 2.11 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 2.30 2.23 0.00 17 R 8.78 4.64 0.00 1.80 1.63 0.00 3.01 0.00 0.00 2.99 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.11 0.00 18 R 8.42 4.58 0.00 1.87 1.78 0.00 3.32 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 19 Y 9.71 4.43 0.00 3.17 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 20 G 7.32 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 0.00 0.00 0.00 0.00 21 T 8.28 5.32 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 22 C 9.62 4.99 0.00 3.01 3.02 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 0.00 0.00 0.00 23 I 8.40 5.09 1.94 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 1.31 0.64 0.99 0.00 0.00 24 Y 9.25 4.66 0.00 2.72 2.32 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 25 Q 9.51 3.12 0.00 1.78 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 1.16 1.69 0.00 26 G 8.91 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.02 4.74 0.00 1.83 1.98 0.00 2.60 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.16 0.00 28 L 8.18 5.43 0.00 1.54 1.69 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 W 9.30 5.32 0.00 3.31 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.20 4.55 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.31 5.14 0.00 3.21 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 32 C 9.03 5.57 0.00 2.87 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 33 C 9.25 4.54 0.00 2.80 2.73 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