NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2620 8.3349 115.2902 58.8270 62.8915 173.2905 2 M 3.0530 8.4567 129.7845 55.7344 30.2031 175.0265 3 G 3.4437 9.0280 111.9298 47.2883 0.0000 173.9781 4 L 4.1507 8.8095 116.1319 53.3814 43.4420 175.0251 5 P 4.4249 0.0000 0.0000 62.1266 31.7656 175.5406 6 P 4.4741 0.0000 0.0000 64.3636 31.0465 176.7537 7 G 3.9043 7.8672 104.4012 45.3261 0.0000 172.0450 8 W 5.2581 8.1384 121.2445 55.4289 30.1551 175.5683 9 D 5.3178 9.3188 124.7281 52.3487 44.5246 174.5848 10 E 4.6403 8.4832 118.8802 55.1368 31.5567 174.8032 11 Y 4.7190 8.1272 118.9705 56.7641 43.1705 173.6787 12 K 5.3812 8.6205 122.4978 55.2050 33.5829 177.8833 13 T 4.2962 8.4259 123.9843 63.5625 69.5176 173.5915 14 H 4.2706 8.2295 118.5032 60.1106 29.1310 176.2727 15 N 4.2873 7.9635 117.6996 55.4267 37.2250 175.6056 16 G 4.1653 7.4352 106.5290 44.8930 0.0000 173.3285 17 K 4.0731 8.4784 120.8809 56.3677 33.4843 177.5692 18 T 4.6696 8.4324 123.9692 63.4469 65.8097 172.8113 19 Y 4.7841 9.2136 123.3624 56.8388 40.3872 175.1147 20 Y 5.2931 9.5076 121.1015 57.1367 40.1576 173.9750 21 Y 5.4786 9.3141 124.2624 55.8468 42.8850 173.4479 22 N 4.3711 7.0232 124.3621 50.9420 40.4109 174.1178 23 H 4.3696 7.7155 122.5147 56.0349 28.8841 175.7243 24 N 4.6224 7.7846 117.2505 54.2773 39.6430 175.8503 25 T 4.4349 7.1345 103.8349 60.0508 70.4100 174.0204 26 K 3.5884 7.5868 119.5487 56.7502 28.8834 173.9412 27 T 4.5993 7.4538 114.8707 61.6528 71.5972 173.9452 28 S 5.5148 8.8028 122.0934 57.1414 64.6506 173.3799 29 T 3.9458 9.3507 118.5401 60.6197 70.8431 173.8396 30 W 5.0756 7.5215 120.5611 57.2378 29.2944 176.9038 31 T 4.2724 7.6173 116.0164 62.7996 68.8025 173.7559 32 D 3.3700 8.3453 124.6583 53.1380 41.6522 175.6093 33 P 3.3888 0.0000 0.0000 65.1127 31.4721 177.9035 34 R 3.8075 7.3543 117.2402 58.7426 30.2604 176.7780 35 M 3.8405 6.9792 117.2820 55.3728 31.6008 176.5130 36 S 4.2764 7.8264 112.5252 58.0353 66.0491 175.1795 37 S 4.0807 8.3564 121.7887 58.6556 62.6588 173.6812 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 4.26 0.00 3.85 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 2 M 8.46 3.05 0.00 2.26 2.07 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 2.52 2.61 0.00 3 G 9.03 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.81 4.15 0.00 1.99 1.69 1.21 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.42 0.00 2.52 2.15 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.14 0.00 6 P 0.00 4.47 0.00 2.18 2.18 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 7 G 7.87 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 0.00 0.00 0.00 8 W 8.14 5.26 0.00 3.17 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.32 5.32 0.00 2.91 2.64 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 0.00 0.00 0.00 0.00 10 E 8.48 4.64 0.00 1.59 1.41 0.00 0.00 0.00 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 2.19 0.00 11 Y 8.13 4.72 0.00 2.53 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 12 K 8.62 5.38 0.00 1.70 1.80 0.00 1.81 0.00 0.00 2.43 0.00 0.00 2.71 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.30 7.81 13 T 8.43 4.30 4.08 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 0.00 0.00 0.00 0.86 0.00 0.00 14 H 8.23 4.27 0.00 3.09 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.96 4.29 0.00 2.74 2.90 0.00 0.00 6.06 6.72 0.00 0.00 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 G 7.44 4.17 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 0.00 0.00 0.00 17 K 8.48 4.07 0.00 1.80 1.95 0.00 0.77 0.00 0.00 1.46 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.33 7.81 18 T 8.43 4.67 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 0.96 0.00 0.00 19 Y 9.21 4.78 0.00 3.66 3.43 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 20 Y 9.51 5.29 0.00 3.18 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 9.31 5.48 0.00 3.20 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.02 4.37 0.00 1.44 1.53 0.00 0.00 5.99 7.66 0.00 0.00 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 H 7.72 4.37 0.00 3.01 3.27 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.78 4.62 0.00 2.70 2.75 0.00 0.00 6.69 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 25 T 7.13 4.43 4.18 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 1.17 0.00 0.00 26 K 7.59 3.59 0.00 1.91 1.99 0.00 1.85 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.30 1.35 7.81 27 T 7.45 4.60 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 28 S 8.80 5.51 0.00 3.99 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.35 3.95 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 30 W 7.52 5.08 0.00 3.57 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.62 4.27 4.14 0.00 0.00 0.00 0.00 0.00 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 32 D 8.35 3.37 0.00 2.49 2.25 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 33 P 0.00 3.39 0.00 0.92 0.49 0.00 2.60 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 34 R 7.35 3.81 0.00 1.80 1.90 0.00 3.11 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 35 M 6.98 3.84 0.00 1.85 1.85 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 36 S 7.83 4.28 0.00 3.68 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 37 S 8.36 4.08 0.00 3.82 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00