NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9851 8.2127 109.7429 45.3071 0.0000 173.6803 2 I 3.2670 8.1905 117.5829 63.1197 37.5137 173.1463 3 V 3.5077 8.4136 120.0093 65.9730 31.6810 177.2612 4 E 3.9483 8.0175 116.5448 59.6007 29.4911 178.7800 5 Q 4.1872 8.3266 118.5503 58.2820 29.2131 175.8113 6 C 5.0837 8.0173 113.8165 56.8416 41.4851 173.9217 7 C 4.5537 7.9397 116.1888 59.8536 28.3989 173.7113 8 T 4.4240 8.0067 115.1016 64.5367 70.2494 174.2670 9 S 4.8100 7.6824 113.6759 56.0067 65.1496 173.6543 10 I 3.8763 8.1682 124.1807 61.3735 37.3518 176.4054 11 C 4.7379 8.6989 123.8795 56.2073 40.4424 174.4947 12 S 4.4974 9.0619 120.1651 58.0437 64.8454 175.3464 13 L 4.0014 8.5398 122.2834 58.1049 41.0542 179.2533 14 Y 4.0831 8.0001 118.2985 60.9037 39.1713 177.6861 15 Q 4.0680 8.4100 119.0052 58.9687 28.8019 178.7748 16 L 4.3180 8.4206 120.2802 57.6108 41.5805 179.0386 17 E 3.9409 8.1089 119.1296 59.1516 29.2242 178.4677 18 N 4.2658 7.6635 115.1358 55.6019 38.5630 175.7857 19 Y 4.4090 7.6220 116.1127 57.6024 38.6357 175.6034 20 C 4.4009 7.1683 118.2330 59.2803 29.0552 173.2311 21 N 4.4913 8.5642 119.2656 54.0154 38.5796 174.8513 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 8.21 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.19 3.27 1.09 0.00 0.00 0.16 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 0.62 0.70 0.00 0.00 3 V 8.41 3.51 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.88 0.00 0.00 4 E 8.02 3.95 0.00 2.14 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 2.32 2.43 0.00 5 Q 8.33 4.19 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 6 C 8.02 5.08 0.00 3.06 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 7 C 7.94 4.55 0.00 3.05 2.92 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 8 T 8.01 4.42 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 1.21 0.00 0.00 9 S 7.68 4.81 0.00 3.96 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.17 3.88 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.54 0.93 0.00 0.00 11 C 8.70 4.74 0.00 3.00 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 S 9.06 4.50 0.00 4.13 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 13 L 8.54 4.00 0.00 1.78 1.82 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.00 4.08 0.00 2.94 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.41 4.07 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 16 L 8.42 4.32 0.00 1.89 1.79 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.11 3.94 0.00 2.19 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 18 N 7.66 4.27 0.00 2.48 2.51 0.00 0.00 7.00 8.22 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 19 Y 7.62 4.41 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 7.17 4.40 0.00 3.04 2.86 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 21 N 8.56 4.49 0.00 2.67 2.69 0.00 0.00 6.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00