NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0242 8.3544 109.7474 45.6648 0.0000 175.7846 2 I 3.3536 8.4038 122.5334 62.6540 37.8665 172.5615 3 V 3.5695 8.4068 119.8554 65.8020 31.6720 177.0774 4 E 4.1008 8.2113 116.8197 58.4141 29.3567 177.3940 5 Q 4.5492 7.6560 116.7295 56.3518 30.6818 175.7452 6 C 4.9673 8.0964 112.3552 57.0456 42.6875 174.2738 7 C 4.1802 7.7692 118.4392 61.1020 31.8764 174.7684 8 T 4.1418 7.9702 115.4939 65.1868 68.4968 173.9345 9 S 4.8405 7.4994 112.7574 55.7398 66.0775 172.9331 10 I 3.7635 8.1925 121.1798 61.6297 37.0283 176.9307 11 C 4.7325 8.5378 125.6492 55.2671 44.0843 171.6754 12 S 4.8184 7.9568 114.3059 56.2388 65.9998 174.9643 13 L 3.9409 8.6579 122.3680 58.4521 41.9326 177.7971 14 Y 4.6670 7.9091 116.7181 57.3848 38.8865 175.3720 15 Q 4.6492 8.0828 116.2955 55.9955 34.5443 176.4882 16 L 4.6121 7.6911 115.6607 57.1468 40.5560 177.4550 17 E 4.1652 8.2197 120.9591 58.4813 30.1276 177.5833 18 N 3.5773 7.4412 115.7953 56.5246 38.2994 175.0389 19 Y 4.4427 7.9516 113.3496 58.1009 38.2644 174.3141 20 C 4.6721 8.7392 119.7034 58.1528 29.9400 173.5689 21 N 4.5661 8.5635 119.1252 53.0052 37.0650 174.4628 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 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.40 3.35 1.34 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.45 0.80 0.00 0.00 3 V 8.41 3.57 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 0.99 0.00 0.00 0.88 0.00 0.00 4 E 8.21 4.10 0.00 2.07 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 2.33 2.47 0.00 5 Q 7.66 4.55 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 6 C 8.10 4.97 0.00 2.87 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 C 7.77 4.18 0.00 2.86 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 8 T 7.97 4.14 4.35 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 1.21 0.00 0.00 9 S 7.50 4.84 0.00 3.93 3.85 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 10 I 8.19 3.76 1.88 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 1.31 0.42 0.92 0.00 0.00 11 C 8.54 4.73 0.00 2.93 3.01 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 0.00 0.00 0.00 12 S 7.96 4.82 0.00 4.03 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 13 L 8.66 3.94 0.00 1.80 1.78 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.91 4.67 0.00 2.96 2.93 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 15 Q 8.08 4.65 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 16 L 7.69 4.61 0.00 1.83 2.00 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.22 4.17 0.00 1.97 1.71 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 2.20 2.13 0.00 18 N 7.44 3.58 0.00 2.83 2.43 0.00 0.00 7.04 7.35 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 19 Y 7.95 4.44 0.00 3.15 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 20 C 8.74 4.67 0.00 2.82 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 21 N 8.56 4.57 0.00 2.79 2.76 0.00 0.00 5.94 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