NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3357 8.3001 118.1943 54.3560 33.3692 174.8442 2 A 4.4124 7.9160 122.7596 50.1322 20.9208 174.2760 3 E 4.4398 8.7504 127.4875 56.0739 29.4602 174.3248 4 M 4.5751 7.5495 116.5264 55.5235 35.0047 176.5627 5 G 3.5804 8.3099 106.8693 47.0448 0.0000 171.5610 6 S 3.5759 8.0448 118.0839 58.6720 59.4945 171.2546 7 K 4.6133 8.5059 121.3469 55.8144 32.9725 177.4264 8 G 4.1906 7.7765 104.3021 44.3551 0.0000 175.1325 9 V 3.6213 8.0158 114.8404 64.8468 31.3747 178.4111 10 T 3.9697 7.8420 114.5392 66.3658 68.3179 176.7760 11 A 4.2503 8.1489 121.2573 54.0875 18.6519 178.5864 12 G 3.9499 8.0142 102.6584 44.8441 0.0000 175.4585 13 K 3.9035 7.9078 122.6870 59.5991 32.2374 178.4956 14 I 3.6960 7.4768 111.6868 63.9993 37.2828 178.1941 15 A 3.9609 7.7609 121.9593 54.9924 18.2958 179.4027 16 S 4.2054 8.4296 111.7875 61.2628 62.0813 176.2473 17 N 4.3724 7.7364 118.6743 56.3952 38.5453 177.4924 18 V 3.7992 7.6200 113.2902 64.1541 31.6846 178.4393 19 Q 3.9737 8.5760 119.9326 58.7293 28.3530 177.9881 20 K 4.0217 7.8798 121.0279 59.1711 32.0998 178.9030 21 K 4.1303 7.7838 118.9600 59.0048 31.9266 179.2425 22 L 4.1629 7.8122 119.5751 57.6423 41.4212 179.5271 23 T 3.8259 7.5713 114.8033 66.7813 68.3187 176.6413 24 R 3.8926 8.1040 119.1922 59.5022 30.0829 178.7934 25 A 3.9889 7.7345 118.8855 54.9219 18.4513 179.4306 26 Q 3.9673 8.4760 118.6225 59.2355 28.8201 178.1663 27 E 3.9938 8.2250 120.0085 58.8173 30.0161 178.7328 28 K 4.1368 7.5646 118.1980 59.6677 32.2483 179.7896 29 V 3.6897 7.8381 112.6241 64.4364 31.3952 178.5598 30 L 4.3963 8.0342 118.6409 57.8260 41.1666 179.2973 31 Q 4.3055 7.7990 116.5982 57.4148 28.9679 177.6140 32 K 4.2687 7.7798 118.5095 59.1235 33.5287 178.6273 33 L 4.0000 8.3866 119.5136 57.1930 41.7150 176.7342 34 Y 4.2273 7.5185 118.1032 58.0182 38.0723 175.5028 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 4.34 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 2 A 7.92 4.41 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 4.44 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 4 M 7.55 4.58 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 5 G 8.31 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.04 3.58 0.00 4.02 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.51 4.61 0.00 1.70 1.76 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.38 7.81 8 G 7.78 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.62 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 0.81 0.00 0.00 0.93 0.00 0.00 10 T 7.84 3.97 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 11 A 8.15 4.25 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 12 G 8.01 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 3.90 0.00 2.09 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.60 7.81 14 I 7.48 3.70 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 1.61 0.44 0.91 0.00 0.00 15 A 7.76 3.96 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 S 8.43 4.21 0.00 3.88 4.02 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 17 N 7.74 4.37 0.00 3.02 2.86 0.00 0.00 7.03 7.56 0.00 0.00 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 V 7.62 3.80 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 0.97 0.00 0.00 19 Q 8.58 3.97 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 20 K 7.88 4.02 0.00 1.78 2.05 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.62 7.81 21 K 7.78 4.13 0.00 1.98 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.62 7.81 22 L 7.81 4.16 0.00 1.98 1.71 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.57 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 24 R 8.10 3.89 0.00 1.96 2.00 0.00 3.29 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 25 A 7.73 3.99 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 26 Q 8.48 3.97 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 27 E 8.22 3.99 0.00 2.14 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 2.32 2.49 0.00 28 K 7.56 4.14 0.00 2.14 1.85 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.63 7.81 29 V 7.84 3.69 2.12 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 0.91 0.00 0.00 1.07 0.00 0.00 30 L 8.03 4.40 0.00 2.00 1.76 0.78 1.06 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 31 Q 7.80 4.31 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 32 K 7.78 4.27 0.00 1.88 1.93 0.00 1.47 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.81 7.81 33 L 8.39 4.00 0.00 1.71 1.47 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.52 4.23 0.00 3.18 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00