NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.8014 8.2985 117.8462 55.0783 30.4694 175.4997 2 A 3.7622 8.3131 127.4610 53.2181 19.6623 175.9611 3 E 4.4469 9.6404 111.4372 55.9438 31.9165 173.0183 4 G 3.6537 7.9564 113.4233 44.5519 0.0000 173.2144 5 T 3.3286 6.3923 119.0334 58.7161 70.4757 175.0355 6 F 4.7782 8.1948 120.4947 56.8887 34.4087 176.5431 7 T 3.8488 7.6377 113.9522 65.7764 69.0473 175.8104 8 S 4.1029 8.0164 116.8440 61.8909 62.7709 175.4790 9 D 4.2857 8.2715 121.5115 57.2458 40.5366 178.9428 10 V 3.2314 7.9769 117.8026 66.6079 31.5500 178.4013 11 S 4.0832 8.1937 113.1802 61.7272 62.7058 176.1658 12 S 4.0556 8.3308 117.7980 60.8717 61.8852 175.3835 13 Y 3.8890 8.1801 120.7277 60.8200 38.7543 177.9117 14 L 4.2285 8.2057 119.5386 57.8890 41.8095 178.7896 15 E 3.9882 8.5925 119.2810 60.2676 29.3091 179.7327 16 G 4.0525 7.7838 104.0110 47.2325 0.0000 174.9901 17 Q 4.2780 8.0344 119.4134 57.9353 29.5008 177.4470 18 A 4.0389 8.1344 120.8837 55.5994 18.3382 179.1194 19 A 3.9939 8.5815 119.1472 55.3876 18.3086 179.8018 20 K 3.8488 8.0175 117.1712 59.8308 32.4881 178.3777 21 E 3.8783 8.2595 118.9235 59.7124 29.2848 179.7481 22 F 4.2046 8.6782 117.7502 60.5093 38.8760 177.5588 23 I 3.6907 8.1455 117.3688 64.3366 37.9406 177.1369 24 A 4.1748 7.9892 121.3064 54.7907 18.3557 178.9553 25 W 4.3239 7.9264 128.3062 60.3953 30.5430 177.9831 26 L 4.5460 8.7303 117.3671 57.0089 41.2211 178.2770 27 V 4.3669 7.9787 110.6816 62.1333 33.9064 176.8228 28 K 4.4888 7.9426 115.8429 56.5524 33.6224 175.3650 29 G 3.7149 8.0477 110.9764 44.9084 0.0000 174.8552 30 R 4.2141 7.5576 121.5056 56.2695 30.7449 173.9649 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 H 8.30 4.80 0.00 3.21 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 A 8.31 3.76 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.64 4.45 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 4 G 7.96 3.65 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 0.00 0.00 0.00 5 T 6.39 3.33 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 6 F 8.19 4.78 0.00 3.32 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 7 T 7.64 3.85 4.12 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 0.00 0.00 1.25 0.00 0.00 8 S 8.02 4.10 0.00 4.13 4.30 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 0.00 0.00 0.00 0.00 9 D 8.27 4.29 0.00 2.81 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.98 3.23 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 0.90 0.00 0.00 0.31 0.00 0.00 11 S 8.19 4.08 0.00 4.11 4.12 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 0.00 0.00 0.00 12 S 8.33 4.06 0.00 3.92 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.18 3.89 0.00 3.03 3.03 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 14 L 8.21 4.23 0.00 1.94 1.75 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.59 3.99 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 16 G 7.78 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.03 4.28 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 18 A 8.13 4.04 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.85 0.00 1.80 2.00 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.46 7.81 21 E 8.26 3.88 0.00 1.80 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 22 F 8.68 4.20 0.00 3.22 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 23 I 8.15 3.69 2.15 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 1.50 1.04 1.02 0.00 0.00 24 A 7.99 4.17 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 W 7.93 4.32 0.00 3.48 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.73 4.55 0.00 2.04 1.92 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.98 4.37 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.04 0.00 0.00 28 K 7.94 4.49 0.00 1.71 1.76 0.00 1.44 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.58 7.81 29 G 8.05 3.71 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 0.00 0.00 0.00 30 R 7.56 4.21 0.00 1.86 1.93 0.00 3.30 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.40 0.00