NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3906 8.3044 118.7933 54.0096 33.8410 175.2635 2 V 3.9321 7.5554 119.4811 59.5779 32.1908 174.6165 3 S 4.5041 9.1661 123.8786 57.5504 66.3334 174.6177 4 K 3.8923 8.4933 121.4683 59.5054 31.6425 179.2783 5 L 3.9370 7.8398 119.9757 58.4269 42.1503 179.1109 6 S 4.4643 8.1401 116.3875 61.0682 62.6675 176.5449 7 Q 3.9621 8.3790 122.6606 58.9445 28.7249 177.9874 8 L 3.9414 8.1156 121.5015 58.2142 42.0319 178.8011 9 Q 3.9880 8.3593 118.3223 59.3156 28.6630 179.1787 10 T 3.8962 8.0029 116.4901 66.8180 68.5737 176.6037 11 E 4.0063 8.3132 120.4555 59.4532 29.3703 179.5096 12 L 4.0787 8.2696 119.2305 57.3967 41.6687 179.4359 13 L 3.9494 8.1621 119.0277 57.6437 41.6087 179.1495 14 A 3.9556 8.0471 120.3357 55.3696 18.3777 179.5350 15 A 3.9688 8.0361 118.9784 55.1578 18.0470 179.8481 16 L 3.8949 8.2714 117.7825 58.1195 41.8073 179.8200 17 L 4.0080 7.9521 118.8389 57.7600 41.3019 179.2559 18 E 4.0189 8.1649 118.6866 58.8773 29.6460 178.4297 19 S 4.3558 7.7355 112.8903 58.9032 63.4023 174.7660 20 G 4.0446 7.8152 109.4954 45.0359 0.0000 173.9658 21 L 4.0520 7.4219 122.5118 54.6186 42.7782 177.5094 22 S 4.3935 8.4474 120.6920 58.0982 65.1481 175.5188 23 K 3.9654 8.5172 122.7371 59.4722 31.8430 179.2128 24 E 3.8839 8.1695 118.9681 59.3191 29.4115 178.6358 25 A 3.9744 7.9707 119.5383 54.8688 18.4934 178.7736 26 L 4.0424 7.7778 117.9597 58.7647 42.1994 179.2161 27 I 3.9381 7.9580 120.6704 64.7974 37.0877 177.3516 28 Q 4.3230 7.8726 125.2124 57.4279 28.1081 178.3845 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 8.30 4.39 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 V 7.56 3.93 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 0.96 0.00 0.00 0.93 0.00 0.00 3 S 9.17 4.50 0.00 4.09 3.98 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 0.00 0.00 0.00 4 K 8.49 3.89 0.00 1.82 1.91 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.50 7.81 5 L 7.84 3.94 0.00 1.75 1.66 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.14 4.46 0.00 4.06 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 7 Q 8.38 3.96 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 8 L 8.12 3.94 0.00 1.86 1.81 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.36 3.99 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 10 T 8.00 3.90 4.41 0.00 0.00 0.00 0.00 0.00 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 11 E 8.31 4.01 0.00 2.13 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 2.34 2.48 0.00 12 L 8.27 4.08 0.00 1.79 1.71 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.16 3.95 0.00 1.87 1.71 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.05 3.96 1.37 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 0.00 0.00 0.00 15 A 8.04 3.97 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 16 L 8.27 3.89 0.00 1.83 1.73 0.92 0.52 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 17 L 7.95 4.01 0.00 1.67 1.71 0.97 0.79 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 18 E 8.16 4.02 0.00 1.97 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 0.00 2.32 2.31 0.00 19 S 7.74 4.36 0.00 4.09 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 20 G 7.82 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.42 4.05 0.00 1.60 1.59 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.45 4.39 0.00 4.09 3.97 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 23 K 8.52 3.97 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.49 7.81 24 E 8.17 3.88 0.00 2.03 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 2.38 2.38 0.00 25 A 7.97 3.97 1.30 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 0.00 0.00 26 L 7.78 4.04 0.00 1.84 1.93 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.96 3.94 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 1.38 0.81 0.91 0.00 0.00 28 Q 7.87 4.32 0.00 2.17 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00