NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4886 8.1633 120.3265 55.1165 34.5126 177.3264 2 K 3.7424 8.1276 118.5729 58.4996 31.8476 173.7503 3 V 3.5550 8.4957 119.3299 66.0756 32.0278 177.7381 4 K 3.9382 8.0186 117.6606 59.6787 31.9105 179.2512 5 Q 4.0224 8.1318 118.3022 58.9086 28.5528 178.7325 6 L 4.0596 8.2499 120.3031 57.5983 41.6415 179.2265 7 E 3.9728 8.4808 118.9691 59.6447 29.4041 179.1924 8 D 4.3653 8.1240 118.8448 57.1116 40.7439 178.9111 9 V 3.5485 7.8086 118.8487 66.0087 31.5267 178.1055 10 V 3.5776 8.0673 118.2050 66.2214 31.3494 177.7140 11 E 3.9864 8.2526 118.1021 59.6342 29.2955 179.3531 12 E 4.0402 8.2767 118.5442 59.3296 29.4828 179.3917 13 L 4.0672 8.3526 119.4452 57.5612 41.5579 179.4507 14 L 4.0217 8.4198 119.6511 57.8902 41.5357 179.6759 15 S 4.1486 8.1692 115.1447 61.5182 62.7462 176.8134 16 V 3.6800 8.0092 120.9717 66.0418 31.1751 177.5474 17 N 4.2895 8.4013 116.7834 56.7916 38.8058 175.9094 18 Y 4.1264 8.2135 120.9837 61.3187 38.8418 178.0911 19 H 3.8168 8.4176 116.8029 58.7926 28.7238 177.9205 20 L 4.0098 8.1449 120.8589 57.6250 41.3970 179.3032 21 E 3.9157 8.4161 118.9307 59.4528 29.3949 179.0848 22 N 4.1771 7.8299 116.3700 56.3100 38.5064 177.6465 23 V 3.5224 7.7524 119.4709 65.9232 31.5455 178.2036 24 V 3.5233 8.0677 118.0780 65.9587 31.3833 177.8001 25 A 3.9548 8.0825 120.5369 55.1005 18.1928 179.6270 26 R 3.8121 7.9733 117.1776 59.6208 30.2252 178.8362 27 L 4.0129 8.1951 119.0867 57.5744 41.5103 179.4440 28 K 3.9048 8.3484 118.8990 59.4683 31.7234 179.1602 29 K 3.9184 8.1767 119.6837 59.4865 31.8685 178.7392 30 L 4.0001 7.7725 118.2734 57.5267 41.6936 179.0991 31 V 4.1350 7.7736 109.1534 60.6068 31.9584 176.5203 32 G 3.7828 7.5431 106.6169 46.2160 0.0000 172.9042 33 E 4.4374 8.3516 121.2160 54.4372 30.5560 176.2059 34 R 4.2022 8.2942 121.5272 56.4899 29.6355 174.6846 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 8.16 4.49 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 2 K 8.13 3.74 0.00 1.87 1.87 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.55 7.81 3 V 8.50 3.56 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 1.16 0.00 0.00 0.93 0.00 0.00 4 K 8.02 3.94 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.53 7.81 5 Q 8.13 4.02 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 6 L 8.25 4.06 0.00 1.87 1.71 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.48 3.97 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 8 D 8.12 4.37 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.81 3.55 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.99 0.00 0.00 10 V 8.07 3.58 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 11 E 8.25 3.99 0.00 2.17 1.98 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 2.52 2.49 0.00 12 E 8.28 4.04 0.00 2.16 2.01 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 2.34 2.48 0.00 13 L 8.35 4.07 0.00 1.82 1.73 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.42 4.02 0.00 1.86 1.73 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.17 4.15 0.00 4.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 3.68 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.03 0.00 0.00 17 N 8.40 4.29 0.00 2.92 3.04 0.00 0.00 6.88 7.11 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 18 Y 8.21 4.13 0.00 3.02 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.42 3.82 0.00 3.40 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.14 4.01 0.00 1.83 1.70 0.93 0.79 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 21 E 8.42 3.92 0.00 2.05 1.96 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 2.51 2.51 0.00 22 N 7.83 4.18 0.00 2.69 2.70 0.00 0.00 6.69 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.75 3.52 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.95 0.00 0.00 24 V 8.07 3.52 2.11 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 1.03 0.00 0.00 0.94 0.00 0.00 25 A 8.08 3.95 1.35 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 0.00 0.00 26 R 7.97 3.81 0.00 1.93 2.15 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 27 L 8.20 4.01 0.00 1.70 1.69 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.35 3.90 0.00 1.91 2.08 0.00 1.66 0.00 0.00 1.56 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 29 K 8.18 3.92 0.00 1.94 1.95 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 30 L 7.77 4.00 0.00 1.86 1.71 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.77 4.13 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 0.72 0.00 0.00 1.02 0.00 0.00 32 G 7.54 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.35 4.44 0.00 1.91 1.85 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 2.27 2.23 0.00 34 R 8.29 4.20 0.00 1.88 1.80 0.00 3.12 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00