NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5298 8.2048 119.7312 54.9225 32.3991 173.5077 2 R 3.7063 6.2693 120.5081 54.7180 35.1076 173.5326 3 Y 4.6528 7.6774 115.7284 57.6124 38.3213 174.4080 4 Y 4.3147 8.3809 121.6898 57.5224 40.1111 174.3913 5 E 4.5499 8.4493 116.8430 56.5090 30.0134 177.4945 6 S 4.4685 7.5439 109.0564 59.2684 64.1698 172.6626 7 S 4.7461 7.3052 112.8466 58.5104 64.3740 176.0358 8 L 4.7804 8.5971 120.3700 55.4896 44.3628 176.4814 9 K 4.0212 8.4550 118.1737 56.2407 32.0702 176.0634 10 S 3.3052 8.2130 120.7631 58.4151 62.5402 173.5170 11 Y 4.6968 6.6116 124.1534 54.6317 39.6327 174.8511 12 P 4.1303 0.0000 0.0000 63.9425 31.9892 175.7561 13 D 4.1528 7.8067 122.3815 54.3129 41.3385 175.6675 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 M 8.20 4.53 0.00 1.84 1.97 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 2 R 6.27 3.71 0.00 1.91 2.06 0.00 3.31 0.00 0.00 3.57 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 3 Y 7.68 4.65 0.00 2.98 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 4 Y 8.38 4.31 0.00 3.12 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.45 4.55 0.00 2.11 1.93 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 2.28 2.35 0.00 6 S 7.54 4.47 0.00 3.83 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 7 S 7.31 4.75 0.00 3.65 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.60 4.78 0.00 1.70 1.69 1.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.45 4.02 0.00 1.91 1.80 0.00 1.93 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.54 7.81 10 S 8.21 3.31 0.00 3.71 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 6.61 4.70 0.00 3.08 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 P 0.00 4.13 0.00 2.20 2.21 0.00 3.93 0.00 0.00 3.62 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 13 D 7.81 4.15 0.00 2.61 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00