NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0651 8.0549 120.3111 61.2653 33.9181 175.4319 2 L 4.2016 7.6431 122.4713 53.9394 40.8677 175.3592 3 M 4.3331 7.3713 118.1714 54.6099 34.2590 177.0540 4 S 4.3443 8.3457 116.4887 58.1705 64.0857 173.6175 5 K 4.4851 8.0136 120.8887 54.7575 34.0160 176.8414 6 L 4.1354 8.5133 119.1740 57.4743 41.5636 178.1139 7 S 4.5668 7.5508 113.7920 55.6209 62.0358 173.6272 8 V 3.7684 7.8209 122.9603 62.1005 32.4845 175.9889 9 N 4.5778 8.3344 117.1419 51.8505 36.3401 173.7331 10 A 4.1368 7.6411 120.8185 52.2058 19.5906 175.9836 11 P 4.5449 0.0000 0.0000 62.7161 30.6460 175.0440 12 E 4.3829 8.4668 121.8100 56.2217 31.2154 175.9604 13 F 4.8546 8.7839 114.9125 55.5544 38.5983 174.4041 14 Y 4.3881 8.2785 122.6383 54.5429 40.9139 174.1280 15 P 4.4111 0.0000 0.0000 63.0162 29.6673 176.1731 16 S 4.1676 8.7365 119.4266 61.8922 62.9582 175.8230 17 G 3.9377 7.7396 108.5366 45.1271 0.0000 174.7334 18 Y 4.4689 7.5331 120.3109 57.4967 37.6620 177.4836 19 S 4.4470 7.4060 119.4372 57.6367 61.8642 174.8601 20 S 4.2050 7.3807 117.0003 57.8907 63.5779 174.5685 21 S 4.2701 7.7007 117.4233 57.8350 62.9410 174.1093 22 Y 4.5819 8.2283 122.3586 58.1505 37.8573 175.7387 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 V 8.05 4.07 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 0.91 0.00 0.00 0.93 0.00 0.00 2 L 7.64 4.20 0.00 1.72 1.69 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 3 M 7.37 4.33 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 4 S 8.35 4.34 0.00 3.97 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.01 4.49 0.00 1.76 1.81 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.38 7.81 6 L 8.51 4.14 0.00 1.63 1.73 0.92 0.79 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 7 S 7.55 4.57 0.00 3.95 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.82 3.77 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 0.74 0.00 0.00 0.93 0.00 0.00 9 N 8.33 4.58 0.00 2.84 2.88 0.00 0.00 5.90 7.26 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 10 A 7.64 4.14 1.29 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 0.00 0.00 11 P 0.00 4.54 0.00 1.99 1.96 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 12 E 8.47 4.38 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 13 F 8.78 4.85 0.00 3.24 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 Y 8.28 4.39 0.00 2.73 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 15 P 0.00 4.41 0.00 2.52 2.22 0.00 3.54 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.49 0.00 16 S 8.74 4.17 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.74 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.53 4.47 0.00 3.09 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 19 S 7.41 4.45 0.00 3.85 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.38 4.21 0.00 3.42 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.70 4.27 0.00 3.76 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.23 4.58 0.00 2.97 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00