NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A D 4.6313 8.3493 120.1922 54.3276 41.5196 174.0679 1 C 4.4710 7.7766 118.6673 56.6604 32.5412 174.3374 2 G 3.9768 9.5935 108.3097 45.9736 0.0000 174.5870 3 L 4.6488 7.6176 119.3729 52.8221 43.5165 176.0428 4 R 4.4875 9.0880 123.8246 54.3005 31.1838 175.3187 5 P 4.2191 0.0000 0.0000 65.9569 31.3066 177.3828 6 L 4.1643 7.8184 113.3621 55.0672 42.0113 176.8872 7 F 4.7214 8.2140 115.5941 58.0127 41.4948 176.7786 8 E 4.0359 9.2401 122.8574 60.1011 30.1784 179.9464 9 K 4.2435 8.1625 115.5715 58.5609 32.1520 177.6713 10 K 4.3453 7.8199 115.6809 55.3013 32.8530 175.8517 11 S 3.8117 8.3381 114.3582 59.8094 60.5689 172.3104 12 L 4.8491 8.1712 118.4092 52.9987 45.0700 176.8320 13 E 4.6579 8.7203 122.6178 55.2006 30.7424 175.9907 14 D 4.8334 9.0880 122.6853 52.3438 40.5561 176.7288 14A K 4.1617 8.4924 118.0092 58.5816 32.2021 178.0797 14B T 4.5365 8.2843 107.4489 60.5853 70.0432 175.6407 14C E 3.8672 8.3026 121.5218 59.5936 29.2781 178.7829 14D R 3.8163 7.9172 118.9742 58.8724 29.9687 177.8485 14E E 3.8522 8.3351 119.9515 58.9352 29.3214 178.8045 14F L 3.7391 7.4155 117.8026 57.8302 42.0902 179.0288 14G L 3.5175 7.7713 118.8618 57.4018 41.3810 179.3024 14H E 3.9115 8.3078 120.0708 59.0581 29.3682 178.8508 14I S 4.0665 7.4280 113.4420 61.5442 62.8671 175.8679 14J Y 4.4358 7.1889 119.7499 58.8888 37.6512 175.7054 14K I 3.6525 8.2584 125.2232 61.6856 37.8170 173.1746 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 1A D 8.35 4.63 0.00 2.64 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.78 4.47 0.00 3.18 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 2 G 9.59 3.98 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 0.00 0.00 0.00 3 L 7.62 4.65 0.00 1.66 1.62 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 4 R 9.09 4.49 0.00 2.22 2.07 0.00 3.18 0.00 0.00 3.50 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 5 P 0.00 4.22 0.00 2.04 2.14 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 6 L 7.82 4.16 0.00 1.26 1.26 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.21 4.72 0.00 3.05 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 E 9.24 4.04 0.00 2.21 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 0.00 2.44 2.46 0.00 9 K 8.16 4.24 0.00 1.97 1.89 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.43 7.81 10 K 7.82 4.35 0.00 1.78 1.76 0.00 2.07 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.38 7.81 11 S 8.34 3.81 0.00 3.98 3.95 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 12 L 8.17 4.85 0.00 1.68 1.61 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.72 4.66 0.00 2.00 1.88 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 2.29 2.32 0.00 14 D 9.09 4.83 0.00 2.35 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14A K 8.49 4.16 0.00 1.76 1.92 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.40 7.81 14B T 8.28 4.54 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 14C E 8.30 3.87 0.00 2.14 2.29 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 2.59 2.33 0.00 14D R 7.92 3.82 0.00 1.87 1.93 0.00 3.17 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 14E E 8.34 3.85 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 14F L 7.42 3.74 0.00 1.77 1.43 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14G L 7.77 3.52 0.00 1.58 1.67 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14H E 8.31 3.91 0.00 2.16 1.86 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 2.27 2.33 0.00 14I S 7.43 4.07 0.00 3.98 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 14J Y 7.19 4.44 0.00 3.07 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 14K I 8.26 3.65 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.53 0.93 0.00 0.00