NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0805 8.0393 120.3095 61.3840 32.7245 175.1984 2 Q 4.1132 8.4860 121.5663 55.6280 29.5198 174.2026 3 C 5.0178 8.1225 115.8072 53.7438 45.4779 173.4357 4 P 4.3956 0.0000 0.0000 63.4853 31.3076 176.8342 5 H 4.2640 9.1077 120.4499 59.4863 29.7728 177.2098 6 F 4.2353 8.4048 115.7988 59.7573 37.1077 178.1044 7 C 3.7727 6.8817 116.5647 59.8535 39.9018 174.2023 8 Y 4.8705 6.7184 115.3716 58.0565 37.2628 175.5926 9 E 4.7696 7.7663 117.1336 55.6594 29.8997 175.2515 10 L 4.8584 7.6374 117.5195 54.3214 46.2421 176.3782 11 D 4.4708 8.7753 119.0674 57.7233 40.8916 177.1541 12 Y 4.6786 7.8047 117.7307 57.4204 39.7029 175.3703 13 E 4.0777 8.0498 124.4561 54.0639 28.1163 175.6795 14 L 3.6895 7.8468 123.9171 58.1118 42.5185 178.4283 15 C 4.5635 7.7107 113.5331 55.2276 40.7495 171.4882 16 P 4.5159 0.0000 0.0000 62.6347 31.6205 177.0825 17 D 4.8299 8.8336 119.4789 55.0773 39.1893 178.2921 18 V 3.8318 7.6196 119.1534 64.0820 31.7736 177.5257 19 C 4.3314 7.9665 116.9726 57.7314 40.3278 173.1834 20 Y 4.5843 7.4420 117.2890 56.1511 38.1177 176.0443 21 V 3.6890 8.4202 123.0675 61.9956 32.9963 173.6258 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 V 8.04 4.08 2.07 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 0.91 0.00 0.00 0.92 0.00 0.00 2 Q 8.49 4.11 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 3 C 8.12 5.02 0.00 2.48 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.37 2.39 0.00 3.54 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.06 0.00 5 H 9.11 4.26 0.00 3.33 3.46 0.00 5.88 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.40 4.24 0.00 3.22 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 6.88 3.77 0.00 1.62 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.72 4.87 0.00 3.03 2.93 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 0.00 0.00 0.00 9 E 7.77 4.77 0.00 2.08 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 10 L 7.64 4.86 0.00 1.67 1.66 1.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.78 4.47 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.80 4.68 0.00 2.80 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.05 4.08 0.00 1.58 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.01 0.00 14 L 7.85 3.69 0.00 1.51 1.61 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 15 C 7.71 4.56 0.00 2.74 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.52 0.00 2.21 2.16 0.00 3.60 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 2.01 1.91 0.00 17 D 8.83 4.83 0.00 3.01 3.02 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 18 V 7.62 3.83 2.08 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 0.75 0.00 0.00 0.92 0.00 0.00 19 C 7.97 4.33 0.00 2.16 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.44 4.58 0.00 2.96 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 21 V 8.42 3.69 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.95 0.00 0.00