NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3249 8.2549 119.7073 56.2433 30.7656 174.8157 2 R 3.9041 7.7237 119.0719 55.2472 29.8624 175.4202 3 T 4.0576 9.1971 118.1443 64.6690 69.5033 173.5055 4 C 5.4329 8.4951 122.4560 55.6231 44.4409 172.4446 5 H 4.9243 9.0628 119.2371 55.6784 33.8780 171.0858 6 C 5.7413 7.7420 118.2039 55.0559 43.7623 173.9324 7 R 4.0912 8.6836 118.5548 54.9842 32.1752 176.3933 8 S 3.7050 7.6853 117.6413 60.5814 63.0300 175.0198 9 R 4.4652 7.5815 115.8701 54.2534 30.8893 175.2957 10 C 4.7732 8.5695 120.3972 54.8728 38.4571 174.1381 11 L 4.3490 8.1537 124.9252 53.5008 42.9398 177.6517 12 R 3.9426 8.4780 115.1958 59.6946 29.4113 178.2819 13 R 3.9006 8.0752 116.5442 58.1179 30.1739 176.0117 14 E 4.5799 7.6357 118.1286 54.4551 29.7799 175.7133 15 S 4.5982 8.6866 120.1387 57.4183 65.0087 173.3913 16 N 4.7841 8.6994 119.8095 53.5200 36.9880 174.5733 17 S 4.5636 8.7830 120.1066 58.8514 65.4810 174.3891 18 G 4.0722 7.0417 103.7587 46.3972 0.0000 171.9388 19 S 5.4239 8.8930 114.2548 56.7152 65.9008 173.5037 20 C 5.1961 9.8562 119.9055 53.6666 45.6023 172.5147 21 N 5.4634 8.8034 117.9239 51.4214 38.5845 173.7881 22 I 4.2618 7.6096 124.1067 60.2778 40.2522 175.3477 23 N 4.0430 9.5162 121.5363 54.2746 36.0451 176.6392 24 G 4.1088 8.3911 108.5048 46.1320 0.0000 175.4966 25 R 4.1079 7.6604 118.6780 56.0097 30.6581 175.8255 26 I 4.4120 8.3567 122.6500 61.1293 37.4918 175.2463 27 F 4.7591 9.6221 127.0443 55.9320 41.7957 174.9527 28 S 4.8044 8.3939 117.0198 56.7034 64.2602 173.1078 29 L 4.8656 8.7486 130.2323 54.8723 41.7949 174.0963 30 C 5.4318 8.9777 123.2296 55.5514 43.7413 172.1768 31 C 5.2145 9.2836 121.6358 55.3624 47.8355 173.7624 32 R 4.2756 7.8976 119.3650 56.4666 29.6656 174.9739 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 R 8.25 4.32 0.00 1.82 1.98 0.00 3.34 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 2 R 7.72 3.90 0.00 1.89 1.86 0.00 3.22 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 3 T 9.20 4.06 4.25 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 1.22 0.00 0.00 4 C 8.50 5.43 0.00 2.82 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 5 H 9.06 4.92 0.00 3.18 3.13 0.00 5.52 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 7.74 5.74 0.00 2.84 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 7 R 8.68 4.09 0.00 1.69 1.99 0.00 2.75 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 8 S 7.69 3.71 0.00 3.58 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.58 4.47 0.00 1.82 1.83 0.00 2.96 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.53 0.00 10 C 8.57 4.77 0.00 2.93 3.25 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 11 L 8.15 4.35 0.00 1.89 1.61 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.48 3.94 0.00 1.91 2.06 0.00 3.04 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 13 R 8.08 3.90 0.00 1.82 2.04 0.00 3.17 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 14 E 7.64 4.58 0.00 1.88 1.91 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 2.27 2.27 0.00 15 S 8.69 4.60 0.00 3.89 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 16 N 8.70 4.78 0.00 2.75 2.88 0.00 0.00 5.94 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 17 S 8.78 4.56 0.00 3.91 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 18 G 7.04 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.89 5.42 0.00 3.85 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.86 5.20 0.00 2.95 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 21 N 8.80 5.46 0.00 2.67 2.85 0.00 0.00 5.86 7.80 0.00 0.00 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 I 7.61 4.26 0.68 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.43 0.58 0.00 0.00 23 N 9.52 4.04 0.00 2.78 2.82 0.00 0.00 7.03 7.51 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 24 G 8.39 4.11 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 0.00 0.00 0.00 25 R 7.66 4.11 0.00 2.21 2.16 0.00 3.28 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 26 I 8.36 4.41 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.78 0.96 0.00 0.00 27 F 9.62 4.76 0.00 2.99 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 S 8.39 4.80 0.00 3.86 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.75 4.87 0.00 1.85 1.57 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.98 5.43 0.00 2.93 3.11 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 31 C 9.28 5.21 0.00 2.90 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 4.28 0.00 2.03 1.71 0.00 3.46 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00