NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2504 8.2649 123.5720 50.8345 19.9373 176.5530 2 P 3.8012 0.0000 0.0000 62.5003 31.5972 175.5628 3 S 4.2214 8.0348 117.8260 60.1127 64.2520 173.8323 4 Y 4.6470 6.7248 117.6552 55.2953 39.5334 175.1916 5 S 4.4514 8.4514 116.4971 57.3451 63.6654 172.8745 6 P 4.6086 0.0000 0.0000 61.5927 31.8856 174.4127 7 P 4.3911 0.0000 0.0000 61.8045 31.8134 174.6880 8 P 4.4277 0.0000 0.0000 61.7616 31.8824 174.1305 9 P 4.2294 0.0000 0.0000 62.5142 31.7988 174.7460 10 P 4.4210 0.0000 0.0000 63.1114 31.3159 176.1353 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 A 8.26 4.25 1.20 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 0.00 0.00 2 P 0.00 3.80 0.00 1.53 0.59 0.00 3.52 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 3 S 8.03 4.22 0.00 3.85 3.91 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 4 Y 6.72 4.65 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.45 4.45 0.00 3.96 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.61 0.00 2.20 2.08 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 7 P 0.00 4.39 0.00 2.21 2.11 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 8 P 0.00 4.43 0.00 2.20 2.11 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 9 P 0.00 4.23 0.00 2.06 2.06 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 10 P 0.00 4.42 0.00 2.18 2.04 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00