NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8644 8.3501 109.7374 45.3005 0.0000 173.2446 2 A 4.1663 8.2927 123.4938 50.9077 19.7396 175.7157 3 T 4.3364 8.5871 119.7625 61.6940 70.1794 173.5217 4 A 4.1630 8.5267 129.7890 51.9560 19.1197 176.8689 5 V 4.5532 7.9603 118.9704 60.1478 31.9263 175.9627 6 S 3.9208 7.2931 125.0375 57.3037 64.6615 173.5164 7 E 3.8498 7.5438 121.4275 56.4787 29.9653 176.4354 8 W 5.4677 8.5035 125.3663 55.4555 31.1785 175.1747 9 T 4.7906 8.7281 121.2307 61.9597 70.6312 173.6823 10 E 4.8107 8.5086 122.0944 54.7627 31.8374 174.6647 11 Y 4.0969 8.1510 122.0285 55.5106 41.3215 174.5710 12 K 4.5023 8.5565 126.3705 55.8525 32.9044 176.2579 13 T 4.5840 8.5642 118.3300 60.2884 70.7507 175.9279 14 A 4.0637 8.5973 124.3530 54.6299 18.5840 178.3681 15 D 4.4378 8.0787 114.1125 55.2154 41.5094 176.2117 16 G 3.8867 8.1799 106.4577 46.8968 0.0000 173.2564 17 K 4.7050 8.0459 117.5486 54.5150 36.0060 176.1517 18 T 4.7532 8.5277 120.2699 62.5797 68.7206 173.7433 19 Y 4.8557 7.9573 124.9402 54.8660 41.1033 174.1580 20 Y 5.8663 9.3134 117.7843 55.9768 41.4461 174.7025 21 Y 5.0746 8.7836 122.8335 55.8110 42.1283 173.8151 22 N 5.9020 8.9824 125.6322 53.4650 38.6318 175.2937 23 N 4.1590 8.8688 121.2310 54.9361 39.0365 175.6560 24 R 3.6295 8.3077 117.0514 58.9271 30.1844 175.7929 25 T 4.3457 7.9741 106.1918 60.8459 70.1409 174.9939 26 L 3.5278 7.7037 120.0992 56.7960 40.1606 172.8539 27 E 4.6323 8.3623 120.2643 54.8032 32.6477 175.0106 28 S 4.9089 8.7074 117.7983 56.6537 66.2010 174.2192 29 T 4.5192 9.2202 111.4837 60.4599 70.6346 174.7387 30 W 4.0078 9.4486 127.8377 59.0706 29.4552 176.3173 31 E 4.9689 8.0200 114.1890 53.7396 31.5781 174.9155 32 K 2.9542 8.5065 118.0853 56.1307 32.9414 175.1245 33 P 3.9938 0.0000 0.0000 62.2176 31.6861 177.1229 34 Q 3.8944 8.2542 120.9851 58.9305 29.1187 176.7981 35 E 4.3156 7.8167 114.6755 56.2280 29.8953 175.8463 36 L 4.1224 7.2198 122.1953 54.3538 41.6114 176.7235 37 K 4.2040 8.6026 124.8661 56.5155 32.3037 176.5235 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 A 8.29 4.17 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 3 T 8.59 4.34 4.27 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 1.26 0.00 0.00 4 A 8.53 4.16 1.24 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 0.00 0.00 0.00 5 V 7.96 4.55 2.18 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 0.88 0.00 0.00 1.07 0.00 0.00 6 S 7.29 3.92 0.00 2.72 3.07 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 7 E 7.54 3.85 0.00 1.81 1.80 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 0.00 2.12 2.25 0.00 8 W 8.50 5.47 0.00 3.18 3.06 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 0.00 0.00 0.00 9 T 8.73 4.79 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 10 E 8.51 4.81 0.00 1.67 1.81 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 2.01 2.08 0.00 11 Y 8.15 4.10 0.00 1.46 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 0.00 0.00 0.00 0.00 12 K 8.56 4.50 0.00 1.63 1.66 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.46 7.81 13 T 8.56 4.58 4.28 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 1.41 0.00 0.00 14 A 8.60 4.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.08 4.44 0.00 2.76 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.18 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 0.00 0.00 0.00 17 K 8.05 4.71 0.00 1.77 1.85 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.63 1.87 7.81 18 T 8.53 4.75 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 0.84 0.00 0.00 19 Y 7.96 4.86 0.00 2.58 2.47 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 0.00 0.00 0.00 0.00 20 Y 9.31 5.87 0.00 3.07 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 21 Y 8.78 5.07 0.00 3.49 3.07 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 22 N 8.98 5.90 0.00 2.99 3.15 0.00 0.00 6.86 7.15 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 23 N 8.87 4.16 0.00 2.83 2.84 0.00 0.00 7.45 7.67 0.00 0.00 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 R 8.31 3.63 0.00 1.52 1.74 0.00 3.23 0.00 0.00 3.33 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 25 T 7.97 4.35 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 26 L 7.70 3.53 0.00 1.78 1.74 1.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.36 4.63 0.00 2.08 1.82 0.00 0.00 0.00 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 2.28 0.00 28 S 8.71 4.91 0.00 3.84 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 9.22 4.52 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 30 W 9.45 4.01 0.00 3.47 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 31 E 8.02 4.97 0.00 2.17 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 0.00 2.28 2.29 0.00 32 K 8.51 2.95 0.00 1.52 1.69 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.34 7.81 33 P 0.00 3.99 0.00 0.93 0.75 0.00 2.46 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.19 0.00 34 Q 8.25 3.89 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.04 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 35 E 7.82 4.32 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 36 L 7.22 4.12 0.00 1.06 1.36 0.86 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.60 4.20 0.00 1.82 1.70 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.45 7.81