NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3654 8.2876 120.2264 55.8652 30.8745 176.6920 2 K 3.9534 8.7024 122.1189 57.6027 32.9019 175.8251 3 M 4.8224 7.9356 116.4042 54.3995 33.2556 178.2156 4 T 3.8053 7.8420 116.4322 66.1173 67.4288 175.6990 5 L 4.0082 7.7983 120.3297 57.8414 41.7163 179.0453 6 C 4.1150 7.9527 116.1318 62.9273 28.1398 175.7911 7 I 3.5976 7.9102 120.2687 64.2114 37.5307 177.8018 8 S 4.0610 8.0702 113.4613 60.9562 62.0946 176.0269 9 V 3.7966 7.5661 120.6252 65.0070 31.4467 177.8925 10 L 4.2000 8.6422 120.4174 58.3056 39.9125 179.0896 11 L 4.0736 8.3432 120.8612 58.2178 40.7032 178.8204 12 A 4.0903 7.9853 121.6588 54.8650 18.1802 179.6578 13 L 3.9841 8.4149 117.8235 58.2642 41.7334 179.5203 14 T 3.8332 8.1025 113.0540 65.2346 67.2552 176.2054 15 V 3.5749 8.9453 120.9789 66.0383 31.4962 177.5335 16 F 4.2745 8.5741 120.6376 61.6079 39.1039 177.1633 17 L 3.8699 8.2813 118.9052 57.2266 41.2764 179.4149 18 L 3.9313 8.0739 120.4389 58.6787 40.4290 179.4374 19 L 3.9392 8.2033 121.9441 58.3717 40.2829 179.1895 20 I 3.7183 7.3753 113.2967 63.2888 37.5441 178.2018 21 S 4.1731 7.8077 116.9828 61.4690 62.6473 176.4223 22 K 3.9891 8.4827 121.3287 59.1200 31.8341 178.2538 23 I 3.8011 7.8466 120.3199 64.6907 37.1254 177.2607 24 V 3.5649 7.2436 116.7103 64.3508 31.6314 174.8990 25 P 4.6334 0.0000 0.0000 60.7489 30.5067 173.7505 26 P 4.3201 0.0000 0.0000 65.8911 32.3427 178.2523 27 T 4.3223 7.5265 108.4290 59.6614 67.8934 174.6616 28 S 4.2244 7.4620 119.4839 59.7615 62.3603 175.8297 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 E 8.29 4.37 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 2 K 8.70 3.95 0.00 1.94 1.95 0.00 1.51 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.49 7.81 3 M 7.94 4.82 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 4 T 7.84 3.81 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 1.26 0.00 0.00 5 L 7.80 4.01 0.00 1.72 1.69 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 6 C 7.95 4.12 0.00 3.07 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.91 3.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.63 1.03 0.00 0.00 8 S 8.07 4.06 0.00 4.08 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 9 V 7.57 3.80 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.94 0.00 0.00 10 L 8.64 4.20 0.00 1.92 1.92 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.34 4.07 0.00 1.94 1.97 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.99 4.09 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 13 L 8.41 3.98 0.00 1.88 1.78 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.10 3.83 4.37 0.00 0.00 0.00 0.00 0.00 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 15 V 8.95 3.57 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.02 0.00 0.00 16 F 8.57 4.27 0.00 3.25 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 17 L 8.28 3.87 0.00 1.95 1.68 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.07 3.93 0.00 1.89 2.13 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.20 3.94 0.00 1.86 1.95 0.71 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.38 3.72 1.60 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.43 -0.01 0.00 0.00 21 S 7.81 4.17 0.00 4.12 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.48 3.99 0.00 1.88 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.52 7.81 23 I 7.85 3.80 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.82 0.88 0.00 0.00 24 V 7.24 3.56 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.91 0.00 0.00 25 P 0.00 4.63 0.00 2.19 2.06 0.00 3.92 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 26 P 0.00 4.32 0.00 2.06 2.11 0.00 3.66 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 27 T 7.53 4.32 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 28 S 7.46 4.22 0.00 3.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00