NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9890 8.2127 109.7389 45.4027 0.0000 175.6156 2 I 3.3589 8.6611 124.6298 62.3622 38.6258 170.6406 3 V 3.4482 8.3873 120.1772 65.8027 31.8432 177.3771 4 E 3.9428 8.0180 117.9339 59.3825 28.9806 178.9406 5 Q 4.0056 8.5390 119.9607 58.8902 29.0564 176.6319 6 C 4.9063 8.4845 115.5183 56.1587 41.0523 173.8611 7 C 4.5301 7.9535 116.9360 59.8203 29.6309 175.1978 8 T 4.2032 7.5287 115.9253 65.5861 68.2841 175.1741 9 S 4.7263 7.5438 115.0170 56.3266 67.0309 173.2878 10 I 4.0968 8.2115 123.7062 61.4397 37.3258 176.8405 11 C 4.8080 8.6236 123.5457 56.2555 42.3738 174.3502 12 S 4.5114 8.8955 119.2070 57.7118 64.8357 175.4165 13 L 3.9865 8.5168 121.7348 58.2491 40.8576 179.1479 14 Y 3.9119 8.0744 118.6450 60.9692 38.5772 178.1425 15 Q 4.1500 8.1270 117.5040 58.9179 29.0065 178.4777 16 L 4.3604 8.2482 120.1726 57.9332 41.7479 179.2121 17 E 3.8629 8.3627 119.0831 58.9763 29.2224 178.1125 18 N 4.0454 7.3917 116.0319 56.4747 38.6995 175.4440 19 Y 4.3648 7.9644 116.4803 57.9035 38.2873 175.4579 20 C 4.4028 7.1992 117.7902 59.2108 29.0045 173.4746 21 N 4.5164 8.5622 117.7096 53.8191 38.0967 175.3179 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 8.66 3.36 0.94 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.91 0.67 0.00 0.00 3 V 8.39 3.45 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 0.87 0.00 0.00 4 E 8.02 3.94 0.00 2.03 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 2.52 2.31 0.00 5 Q 8.54 4.01 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 6 C 8.48 4.91 0.00 2.96 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 7.95 4.53 0.00 3.16 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 4.20 4.41 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 0.00 0.00 1.22 0.00 0.00 9 S 7.54 4.73 0.00 3.69 3.69 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 10 I 8.21 4.10 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 1.42 0.74 0.93 0.00 0.00 11 C 8.62 4.81 0.00 3.01 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 4.51 0.00 4.13 4.06 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 13 L 8.52 3.99 0.00 1.77 1.81 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.07 3.91 0.00 3.12 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.15 0.00 2.43 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 16 L 8.25 4.36 0.00 1.91 1.78 0.95 0.68 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 17 E 8.36 3.86 0.00 2.03 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 2.14 2.24 0.00 18 N 7.39 4.05 0.00 2.48 2.55 0.00 0.00 7.19 7.21 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 19 Y 7.96 4.36 0.00 3.20 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 7.20 4.40 0.00 3.00 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 4.52 0.00 2.71 2.73 0.00 0.00 6.79 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