NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3652 8.3349 115.2900 58.3498 63.3594 174.2319 2 I 4.1609 7.3808 128.2378 58.0294 36.5723 173.9882 3 T 4.5179 7.9335 113.7042 60.0507 72.4322 176.4609 4 K 3.9370 8.6255 122.0317 59.8869 32.0534 179.2197 5 D 4.3636 8.0628 118.4772 57.6297 39.2336 178.6346 6 Q 4.0382 7.7397 118.1566 59.1394 28.5673 179.3036 7 I 4.0946 7.7607 120.8403 63.9552 37.2955 178.2027 8 I 3.6848 7.7357 120.8256 64.6458 37.1479 178.2113 9 E 4.1193 7.7308 116.8422 58.5166 29.0785 179.1086 10 A 4.0858 8.0651 121.7831 54.7945 18.2756 179.4607 11 V 3.6860 7.7572 115.6120 64.8369 31.4860 177.0814 12 A 4.2431 7.2979 117.3577 52.7953 18.8979 177.9095 13 A 4.3775 7.4952 118.9363 52.2177 19.8996 177.3501 14 M 4.3963 6.8308 116.5447 53.8587 34.0378 176.3779 15 S 4.4801 8.1115 115.2304 57.7120 65.4653 175.4235 16 V 3.5584 8.1620 121.2195 66.4542 31.3384 177.8994 17 M 4.0243 7.9689 117.8674 58.5693 31.7709 178.0750 18 D 4.3588 8.1141 117.5593 57.3214 41.2468 178.2713 19 V 3.6771 7.7963 118.8653 65.4824 31.4429 178.1444 20 V 3.5868 7.9389 118.4299 65.9333 31.3291 177.8835 21 E 3.9331 8.1270 118.1739 59.5737 29.3543 178.5273 22 L 3.9064 7.6838 120.1427 58.5368 41.9785 178.7935 23 I 3.7129 8.2944 119.4649 64.8437 37.3338 178.6690 24 S 4.1117 8.3379 115.6328 61.3473 62.6098 176.4688 25 A 3.9887 8.3794 123.8372 55.5605 18.1862 179.3803 26 M 4.2229 8.0353 116.8727 58.8329 32.1258 178.5952 27 E 4.0033 8.4268 118.7536 59.7195 29.8037 179.3519 28 E 3.9529 8.1263 118.4307 59.3490 29.5922 177.9394 29 K 3.7540 8.4465 118.5674 59.9364 32.2854 177.9200 30 F 4.3720 8.9428 117.5117 57.1260 40.0418 175.5009 31 G 4.0395 7.5410 107.4529 46.7874 0.0000 174.8313 32 V 4.3792 7.7833 115.0805 60.4781 31.4482 176.3286 33 S 4.7397 7.3275 113.1156 57.6958 65.5552 174.8432 34 A 4.5370 8.0646 119.6150 51.0178 20.2175 176.5753 35 A 4.4040 7.8943 120.5835 49.7252 20.8323 173.5153 36 A 3.8722 8.0544 121.5260 52.8066 18.5251 178.1053 37 A 4.1225 8.2898 123.6060 53.6977 19.0128 175.8784 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 S 8.33 4.37 0.00 3.85 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.38 4.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.86 0.91 0.00 0.00 3 T 7.93 4.52 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 4 K 8.63 3.94 0.00 1.85 1.90 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.59 7.81 5 D 8.06 4.36 0.00 2.68 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 6 Q 7.74 4.04 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.72 0.00 7 I 7.76 4.09 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.85 0.91 0.00 0.00 8 I 7.74 3.68 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.35 0.91 0.00 0.00 9 E 7.73 4.12 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 10 A 8.07 4.09 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.76 3.69 2.20 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 0.96 0.00 0.00 0.93 0.00 0.00 12 A 7.30 4.24 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.50 4.38 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 6.83 4.40 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.46 0.00 15 S 8.11 4.48 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 3.56 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 1.22 0.00 0.00 0.93 0.00 0.00 17 M 7.97 4.02 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 18 D 8.11 4.36 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.80 3.68 2.30 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 1.03 0.00 0.00 1.01 0.00 0.00 20 V 7.94 3.59 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.99 0.00 0.00 21 E 8.13 3.93 0.00 2.25 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 22 L 7.68 3.91 0.00 1.67 1.83 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.29 3.71 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.48 0.97 0.00 0.00 24 S 8.34 4.11 0.00 4.12 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 3.99 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 26 M 8.04 4.22 0.00 2.28 2.38 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.91 0.00 27 E 8.43 4.00 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 28 E 8.13 3.95 0.00 2.09 2.02 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 2.30 2.31 0.00 29 K 8.45 3.75 0.00 1.64 1.69 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.92 0.91 7.81 30 F 8.94 4.37 0.00 3.14 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 31 G 7.54 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 4.38 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 0.90 0.00 0.00 0.93 0.00 0.00 33 S 7.33 4.74 0.00 3.99 3.90 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 34 A 8.06 4.54 1.22 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 0.00 0.00 35 A 7.89 4.40 1.22 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 0.00 0.00 36 A 8.05 3.87 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.29 4.12 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