NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3415 8.1133 120.8674 55.3653 31.5196 176.4192 2 P 4.3070 0.0000 0.0000 65.1911 31.2712 175.8731 3 E 4.1015 8.9919 118.6284 59.2878 29.9322 178.8156 4 I 3.7657 7.7496 119.5399 64.0227 37.2342 178.1279 5 W 4.1107 8.3579 129.0562 60.3376 30.4734 177.9043 6 A 3.3781 8.3467 120.5783 54.8466 17.7042 179.4897 7 A 3.8093 7.8633 119.2133 55.2768 18.5024 179.5038 8 Q 3.7975 8.0126 118.1223 59.2754 29.0665 178.3838 9 E 3.6385 7.6922 120.1289 59.2241 29.5895 178.8295 10 L 3.8984 7.9123 119.4087 57.5759 41.5221 179.5022 11 R 3.8366 8.1880 119.1018 59.1966 30.0282 178.3687 12 R 3.8572 7.9239 118.4876 59.7517 30.0029 178.6209 13 I 3.8783 7.8386 119.5458 64.1341 37.0419 178.6488 14 G 3.6365 8.4541 107.0703 48.1327 0.0000 175.5623 15 D 4.4453 8.4471 121.8494 56.6261 40.7536 178.4947 16 E 3.9712 8.3212 120.1329 59.3937 29.6875 178.7530 17 F 4.0316 8.6791 120.9300 61.0105 39.4210 176.6214 18 N 4.3896 8.6444 116.7008 56.8246 38.6342 176.6278 19 A 4.0855 8.1552 120.9952 55.2683 18.4696 178.5421 20 Y 3.9517 7.9831 117.1537 61.0899 38.9751 177.6872 21 Y 3.9600 7.7142 114.3118 58.4535 38.3610 175.6020 22 R 4.2689 8.4303 125.1774 56.3357 31.9760 174.9878 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 R 8.11 4.34 0.00 1.89 1.90 0.00 3.25 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 2 P 0.00 4.31 0.00 2.35 2.15 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 3 E 8.99 4.10 0.00 2.05 2.02 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 2.43 2.43 0.00 4 I 7.75 3.77 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.67 0.96 0.00 0.00 5 W 8.36 4.11 0.00 3.45 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 6 A 8.35 3.38 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.86 3.81 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.01 3.80 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 9 E 7.69 3.64 0.00 1.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.12 0.00 10 L 7.91 3.90 0.00 1.65 1.61 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.19 3.84 0.00 1.89 2.02 0.00 3.08 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 12 R 7.92 3.86 0.00 1.99 2.03 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 13 I 7.84 3.88 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.49 0.84 0.00 0.00 14 G 8.45 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.45 0.00 2.79 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 16 E 8.32 3.97 0.00 2.16 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 2.38 2.37 0.00 17 F 8.68 4.03 0.00 3.30 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.64 4.39 0.00 3.11 2.87 0.00 0.00 7.05 7.81 0.00 0.00 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 A 8.16 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.95 0.00 2.88 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.71 3.96 0.00 3.00 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 22 R 8.43 4.27 0.00 1.71 2.25 0.00 3.27 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00