NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1979 8.2644 123.5895 52.2185 19.9476 176.1506 3 C 4.5516 8.1240 119.0857 54.9557 45.5920 171.3574 4 Y 4.6893 8.0274 123.7596 55.3491 42.2933 176.1201 5 S 4.1603 8.8397 120.5500 61.7590 63.0303 177.0342 6 S 4.1304 8.0847 117.7741 61.1656 62.7939 175.9742 7 D 4.3979 8.1507 122.5889 56.7885 40.5609 179.1213 8 C 4.2575 8.5311 119.2394 59.6618 44.0286 175.4374 9 R 3.8927 8.1411 120.3520 59.6725 29.5790 178.6395 10 V 3.6137 7.9017 117.8624 65.7443 31.5135 177.9882 11 K 3.9518 8.4428 118.6907 59.7977 31.9853 178.5772 12 C 4.5256 8.4017 116.5958 60.2018 40.8942 176.4054 13 V 4.1273 8.4466 121.1067 65.5405 30.8836 177.7778 14 A 4.0000 8.0943 119.6718 55.2220 18.2737 178.5911 15 M 4.2552 7.7002 113.8744 55.4674 32.3526 177.2247 16 G 3.7742 8.0279 108.1474 44.8376 0.0000 173.7275 17 F 4.7738 7.7719 119.0328 56.7595 40.4182 177.1160 18 S 4.2053 9.0044 116.4133 61.8905 63.2697 174.4861 19 S 4.6519 7.8001 111.2394 59.7078 66.4421 174.7293 20 G 4.3926 8.7319 104.6849 46.1747 0.0000 172.8821 21 K 4.8567 8.4385 118.2606 54.7162 37.1173 175.2341 22 C 4.9223 8.6887 120.5190 56.7194 41.5834 173.4553 23 I 4.4000 8.5248 124.6391 60.4165 40.0414 175.0782 24 N 4.0645 9.6941 125.3451 54.8889 37.0685 174.6648 25 S 3.9538 8.2808 109.1522 58.4594 60.9779 170.3958 26 K 4.5663 7.8674 120.7029 54.5332 34.9100 174.7211 27 C 4.6999 8.7791 124.8641 55.9101 45.3412 172.7467 28 K 4.4347 8.6680 127.6488 54.7481 33.4350 175.6397 29 C 4.7557 8.3767 122.8798 56.6812 42.4214 173.0223 30 Y 4.4727 8.5414 120.3497 56.7238 39.1063 175.9842 31 K 4.2354 8.8551 123.7113 57.0565 32.2393 176.1606 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 2 A 8.26 4.20 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 3 C 8.12 4.55 0.00 3.08 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.03 4.69 0.00 3.13 2.87 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 S 8.84 4.16 0.00 4.08 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.13 0.00 4.10 4.20 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 7 D 8.15 4.40 0.00 2.94 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 C 8.53 4.26 0.00 3.04 3.26 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 9 R 8.14 3.89 0.00 1.97 2.11 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 10 V 7.90 3.61 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.02 0.00 0.00 11 K 8.44 3.95 0.00 2.09 1.90 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.65 7.81 12 C 8.40 4.53 0.00 3.23 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.45 4.13 2.13 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 1.46 0.00 0.00 1.07 0.00 0.00 14 A 8.09 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.70 4.26 0.00 1.85 2.18 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 16 G 8.03 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.77 4.77 0.00 3.32 3.22 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 0.00 0.00 0.00 0.00 18 S 9.00 4.21 0.00 4.03 3.96 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 7.80 4.65 0.00 3.92 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 20 G 8.73 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 4.86 0.00 1.55 1.62 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.62 7.81 22 C 8.69 4.92 0.00 2.80 2.94 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 23 I 8.52 4.40 1.79 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 1.09 0.96 0.86 0.00 0.00 24 N 9.69 4.06 0.00 2.75 2.79 0.00 0.00 7.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.28 3.95 0.00 4.04 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 26 K 7.87 4.57 0.00 1.74 1.62 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.48 7.81 27 C 8.78 4.70 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.67 4.43 0.00 1.51 1.50 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.44 7.81 29 C 8.38 4.76 0.00 2.10 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.54 4.47 0.00 2.99 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.86 4.24 0.00 1.76 1.80 0.00 2.05 0.00 0.00 1.97 0.00 0.00 3.22 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.63 7.81