NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8627 8.3549 109.7349 45.5201 0.0000 172.8729 2 S 4.4915 8.1046 114.9859 55.2637 64.2958 171.8869 3 P 4.4810 0.0000 0.0000 63.0615 32.6697 175.2463 4 G 3.6498 8.7820 112.2457 45.8518 0.0000 174.4871 5 L 3.9896 7.1429 118.7084 53.3715 42.2040 175.3327 6 P 4.3604 0.0000 0.0000 62.4588 31.9093 175.7379 7 S 4.3910 8.5170 115.8284 62.9998 62.1941 173.1740 8 G 3.6081 8.7323 116.8991 45.1132 0.0000 172.3817 9 W 4.7977 8.2878 120.9202 56.0850 30.1737 175.7593 10 E 4.9723 9.2559 123.7974 54.4671 33.0794 173.7313 11 E 4.7917 8.7227 122.2504 55.0587 32.2687 175.0381 12 R 4.4243 7.9680 119.5427 55.1597 35.0814 173.6363 13 K 5.1539 8.1183 117.2619 54.9115 36.1997 176.1230 14 D 4.7892 8.9977 121.5606 53.3655 39.5495 177.2404 15 A 4.1418 8.2592 125.2762 52.7746 17.6540 179.3194 16 K 4.5265 8.0583 114.9372 56.3614 32.5537 177.2035 17 G 4.2599 8.4195 109.8632 45.6599 0.0000 174.9894 18 R 4.1948 7.8564 119.1100 56.8230 31.1802 175.9413 19 T 4.8822 8.7030 121.4722 62.0441 69.9193 173.5778 20 Y 4.2744 7.8923 124.5460 54.9422 41.6075 174.0773 21 Y 4.9913 9.1001 119.1045 56.3736 40.4399 175.0652 22 V 4.6090 9.1327 125.2374 59.9038 33.7739 174.2363 23 N 4.6177 8.7406 126.1505 52.8790 39.1677 175.2298 24 H 4.3949 9.0201 124.4160 57.6267 29.2621 176.7936 25 N 4.3880 8.3236 115.1375 54.7305 37.5108 175.1278 26 N 4.5810 8.7497 114.6560 52.0310 39.9033 173.6418 27 R 3.7536 7.5039 115.3127 58.8259 28.6054 175.2927 28 T 4.7096 7.7407 113.1188 61.7666 72.0403 174.9569 29 T 4.9945 8.5999 115.1091 60.5139 70.4160 172.8395 30 T 4.7934 9.7243 124.9954 61.0354 71.2803 175.6436 31 W 4.8011 8.6306 129.6712 54.6789 28.2751 176.1553 32 T 4.3940 7.2643 111.4037 62.5926 72.1884 174.2713 33 R 2.9679 8.3694 124.8307 54.7861 30.2426 175.0350 34 P 3.6121 0.0000 0.0000 62.5428 31.3632 176.2168 35 I 4.0366 7.5218 114.0229 60.9691 38.9231 175.1846 36 M 3.9801 7.4968 125.3338 56.4653 32.1482 174.0307 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 G 8.35 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.10 4.49 0.00 4.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.48 0.00 2.03 1.98 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 4 G 8.78 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.14 3.99 0.00 1.67 1.77 1.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.36 0.00 2.75 2.15 0.00 3.13 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 7 S 8.52 4.39 0.00 3.90 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 8 G 8.73 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.29 4.80 0.00 3.35 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.26 4.97 0.00 2.13 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 11 E 8.72 4.79 0.00 1.47 1.78 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 2.13 2.27 0.00 12 R 7.97 4.42 0.00 0.75 1.27 0.00 3.02 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.40 0.00 13 K 8.12 5.15 0.00 1.52 1.65 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.68 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.29 7.81 14 D 9.00 4.79 0.00 2.90 2.94 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 15 A 8.26 4.14 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 4.53 0.00 1.96 1.87 0.00 1.66 0.00 0.00 1.89 0.00 0.00 3.16 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.44 7.81 17 G 8.42 4.26 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 0.00 18 R 7.86 4.19 0.00 2.41 2.48 0.00 3.23 0.00 0.00 3.58 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 19 T 8.70 4.88 4.13 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 0.85 0.00 0.00 20 Y 7.89 4.27 0.00 1.73 1.43 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 0.00 21 Y 9.10 4.99 0.00 3.24 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 22 V 9.13 4.61 2.13 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 0.58 0.00 0.00 0.79 0.00 0.00 23 N 8.74 4.62 0.00 1.44 1.71 0.00 0.00 5.19 7.43 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 24 H 9.02 4.39 0.00 2.99 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.32 4.39 0.00 2.78 2.86 0.00 0.00 5.78 8.01 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 26 N 8.75 4.58 0.00 2.44 2.54 0.00 0.00 7.07 8.22 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 27 R 7.50 3.75 0.00 1.90 1.89 0.00 3.39 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 28 T 7.74 4.71 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 1.23 0.00 0.00 29 T 8.60 4.99 4.35 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 0.00 0.00 0.00 1.32 0.00 0.00 30 T 9.72 4.79 5.01 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 0.00 0.00 1.46 0.00 0.00 31 W 8.63 4.80 0.00 3.34 3.35 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 0.00 0.00 0.00 0.00 32 T 7.26 4.39 4.33 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 1.12 0.00 0.00 33 R 8.37 2.97 0.00 1.57 1.59 0.00 3.34 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.19 0.00 34 P 0.00 3.61 0.00 0.84 0.49 0.00 2.63 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.81 0.00 35 I 7.52 4.04 1.80 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 1.18 0.60 0.81 0.00 0.00 36 M 7.50 3.98 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00