NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4579 8.1476 118.1946 54.9480 32.1167 175.9085 2 P 4.4415 0.0000 0.0000 63.9509 32.2578 176.3636 3 G 4.1299 7.5888 105.6275 44.7864 0.0000 175.2178 4 T 4.6749 7.8151 111.4421 59.6620 67.4733 174.5699 5 I 4.1151 7.8655 123.7148 63.1777 38.1810 177.3252 6 K 3.9350 7.7803 119.6210 58.8700 32.2898 178.0273 7 E 4.0642 8.1656 117.5578 58.4625 29.7438 177.5381 8 N 4.5512 7.9863 116.5363 56.5340 39.3700 176.6449 9 I 3.7336 7.3143 120.8775 64.4917 37.1330 178.1832 10 I 3.8588 7.8817 120.7942 64.5114 36.4547 178.3159 11 G 3.7870 8.1288 106.1006 47.1540 0.0000 176.2356 12 V 3.5631 7.6237 120.0773 65.8495 31.5460 178.2512 13 S 4.2091 8.9105 115.4267 61.6508 62.9437 175.7128 14 Y 4.0513 7.9635 121.8648 60.3795 38.2452 177.5508 15 D 4.6845 7.8025 118.1923 56.7023 41.7798 177.4782 16 E 3.9378 8.0190 119.3928 59.7842 29.2503 178.4078 17 Y 4.1264 8.1964 118.4421 60.7640 39.1510 177.5609 18 R 3.1172 6.5077 115.2891 57.3510 30.1480 176.4738 19 Y 4.2896 7.6139 113.5654 58.0948 39.6261 177.1217 20 R 4.1142 8.1056 120.3418 58.4739 31.0313 176.9395 21 S 4.8378 7.8561 110.6373 57.5045 62.8401 174.1230 22 V 4.2701 7.5829 117.3456 62.9854 34.5363 176.9380 23 I 3.6668 7.9211 120.0257 63.9386 36.9489 175.4111 24 K 3.8559 7.9751 123.1694 56.8049 30.8307 176.0024 25 A 4.2803 8.2180 126.4220 51.8625 19.0198 177.0517 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 8.15 4.46 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 2 P 0.00 4.44 0.00 2.28 2.20 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 3 G 7.59 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.82 4.67 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 5 I 7.87 4.12 1.88 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 1.53 0.81 0.91 0.00 0.00 6 K 7.78 3.93 0.00 1.82 1.79 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.49 7.81 7 E 8.17 4.06 0.00 1.99 1.98 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 2.30 2.45 0.00 8 N 7.99 4.55 0.00 3.01 2.79 0.00 0.00 7.24 7.95 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 9 I 7.31 3.73 1.89 0.00 0.00 0.87 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 0.90 0.93 0.00 0.00 10 I 7.88 3.86 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.31 1.07 0.00 0.00 11 G 8.13 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 0.00 0.00 0.00 12 V 7.62 3.56 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.99 0.00 0.00 13 S 8.91 4.21 0.00 4.05 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 14 Y 7.96 4.05 0.00 3.41 3.08 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 0.00 0.00 0.00 0.00 15 D 7.80 4.68 0.00 2.62 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.02 3.94 0.00 2.32 2.03 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 2.35 2.36 0.00 17 Y 8.20 4.13 0.00 2.92 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.51 3.12 0.00 1.63 1.75 0.00 3.27 0.00 0.00 3.12 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.24 0.00 19 Y 7.61 4.29 0.00 3.12 2.96 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 0.00 0.00 0.00 20 R 8.11 4.11 0.00 1.93 2.18 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 21 S 7.86 4.84 0.00 3.82 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.58 4.27 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.68 0.00 0.00 23 I 7.92 3.67 1.91 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.51 0.96 0.00 0.00 24 K 7.98 3.86 0.00 1.71 1.78 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.46 7.81 25 A 8.22 4.28 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00