NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2855 8.2649 123.5815 51.9489 19.7648 174.4142 2 L 4.5895 8.0262 114.7728 52.2282 45.1556 174.7232 3 C 4.1619 8.8386 116.8949 57.7100 34.8003 173.8316 4 N 4.5266 8.5013 124.8409 53.1130 37.1086 175.3542 5 C 4.6224 8.5451 121.5867 56.8413 43.4349 173.2012 6 N 4.7828 8.1454 113.8172 52.8778 39.8262 173.9776 7 R 4.6990 7.9142 116.2987 55.3608 32.1524 175.6358 8 I 4.5020 8.3373 121.3577 60.7705 39.0568 176.2856 9 I 4.4293 7.5894 111.6787 58.2158 36.3608 175.1767 10 I 3.9260 7.5877 115.9676 61.2042 38.6054 175.7639 11 P 4.2713 0.0000 0.0000 63.1457 33.3258 176.5481 12 H 3.3524 7.9883 117.4332 55.9050 30.2702 176.3677 13 M 4.0549 7.6841 119.3402 59.4161 32.2262 178.6782 14 C 4.4327 8.1578 115.9568 59.7154 37.0187 175.9543 15 W 4.5704 7.9924 121.0485 59.7008 28.8153 178.4853 16 K 4.3208 8.5979 117.7428 58.1003 31.3482 177.9326 17 K 4.6375 7.7592 117.5492 55.3554 33.6690 175.6268 18 C 4.1570 8.9753 119.2773 59.0118 43.7173 173.9121 19 G 4.0308 9.5606 106.8694 45.3002 0.0000 173.1056 20 K 4.0317 7.4599 127.3955 55.9454 38.7786 175.8149 21 K 3.6784 9.1929 130.3718 57.5124 32.5454 175.3272 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 4.29 1.29 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 0.00 0.00 2 L 8.03 4.59 0.00 1.68 1.58 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 3 C 8.84 4.16 0.00 2.97 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 4 N 8.50 4.53 0.00 2.74 2.79 0.00 0.00 6.78 7.67 0.00 0.00 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 C 8.55 4.62 0.00 3.01 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 6 N 8.15 4.78 0.00 2.72 2.93 0.00 0.00 6.95 6.96 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 7 R 7.91 4.70 0.00 1.84 1.84 0.00 3.21 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 8 I 8.34 4.50 1.86 0.00 0.00 0.79 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 1.13 0.91 0.00 0.00 9 I 7.59 4.43 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.71 1.02 0.00 0.00 10 I 7.59 3.93 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.95 1.04 0.00 0.00 11 P 0.00 4.27 0.00 2.15 1.95 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 12 H 7.99 3.35 0.00 1.40 1.96 0.00 5.67 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.68 4.05 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 14 C 8.16 4.43 0.00 3.10 3.20 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 15 W 7.99 4.57 0.00 3.49 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.60 4.32 0.00 1.87 1.91 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.63 7.81 17 K 7.76 4.64 0.00 1.90 1.77 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.36 7.81 18 C 8.98 4.16 0.00 3.11 3.35 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 0.00 19 G 9.56 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.46 4.03 0.00 1.70 1.05 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.21 7.81 21 K 9.19 3.68 0.00 0.79 1.13 0.00 0.61 0.00 0.00 0.63 0.00 0.00 2.45 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.51 0.21 7.81