NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.5942 8.4501 120.6417 56.4789 44.8385 172.4990 2 A 4.4927 8.3576 126.0077 50.5844 20.5415 173.6282 3 E 3.6291 8.5960 117.3263 56.2691 28.1660 169.5756 4 P 4.4320 0.0000 0.0000 62.2154 32.6684 177.2036 5 M 4.6238 7.6428 119.8362 55.9006 32.1255 174.4383 6 T 4.7063 7.7777 111.9291 61.2345 70.6469 172.2644 7 L 4.2747 7.7902 125.1952 52.2113 45.8449 173.7334 8 P 4.1139 0.0000 0.0000 62.7857 31.8921 174.9777 9 E 3.9159 8.8287 116.2113 56.0151 28.0785 174.2726 10 N 5.4877 7.9248 121.6632 53.8400 41.6276 174.4482 11 Y 4.6704 7.5007 122.5420 56.9116 40.0723 173.0812 12 F 4.3287 8.5040 121.7455 56.2531 41.5524 172.8366 13 S 4.5867 7.8827 123.8836 57.2883 64.7077 172.9046 14 E 4.6275 8.6450 114.7418 56.5449 29.8068 174.8646 15 R 4.6324 7.5201 118.4943 54.4771 33.8279 173.1662 16 P 4.1869 0.0000 0.0000 63.3630 30.3901 174.8590 17 Y 3.8947 8.5628 125.0364 58.0752 38.5575 175.9788 18 H 4.3314 8.6033 125.3312 58.0398 29.1722 174.4815 19 P 4.5461 0.0000 0.0000 60.6716 32.0726 173.6464 20 P 4.4903 0.0000 0.0000 62.1329 31.6143 175.7758 21 P 4.1878 0.0000 0.0000 64.7449 31.7562 175.8783 22 P 4.3490 0.0000 0.0000 65.1051 31.7480 176.6027 23 C 4.4707 7.6721 122.9940 56.7162 44.5093 172.7352 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 8.45 4.59 0.00 2.99 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 2 A 8.36 4.49 1.27 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 0.00 0.00 0.00 3 E 8.60 3.63 0.00 2.04 1.93 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 2.22 2.28 0.00 4 P 0.00 4.43 0.00 2.23 2.06 0.00 3.89 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 5 M 7.64 4.62 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 6 T 7.78 4.71 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 1.30 0.00 0.00 7 L 7.79 4.27 0.00 1.51 1.35 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.11 0.00 2.13 1.94 0.00 3.68 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 9 E 8.83 3.92 0.00 2.06 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 2.26 2.35 0.00 10 N 7.92 5.49 0.00 3.00 2.87 0.00 0.00 7.06 7.47 0.00 0.00 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 Y 7.50 4.67 0.00 3.11 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 12 F 8.50 4.33 0.00 1.68 2.71 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 13 S 7.88 4.59 0.00 3.74 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 14 E 8.65 4.63 0.00 2.06 1.97 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 2.15 2.27 0.00 15 R 7.52 4.63 0.00 1.72 1.83 0.00 3.18 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 16 P 0.00 4.19 0.00 2.21 2.13 0.00 3.78 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 17 Y 8.56 3.89 0.00 2.82 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 H 8.60 4.33 0.00 3.04 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.55 0.00 2.07 1.98 0.00 2.97 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.62 0.00 20 P 0.00 4.49 0.00 2.31 2.27 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.99 0.00 21 P 0.00 4.19 0.00 2.10 2.04 0.00 3.84 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 22 P 0.00 4.35 0.00 2.23 2.24 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 23 C 7.67 4.47 0.00 2.88 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