NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4167 8.3044 120.3268 54.1861 32.6236 173.2927 2 K 3.9630 7.9900 118.5190 55.2495 35.1322 170.5346 3 L 4.0271 10.0565 134.2699 55.0951 44.0714 172.3788 4 L 4.6288 8.3875 122.2849 56.1939 47.3790 176.6088 5 S 4.6464 7.7444 111.0095 56.5344 65.2506 174.2559 6 S 4.5498 8.1685 114.5413 58.5066 63.1329 175.4622 7 I 4.5889 8.0847 116.2161 61.1749 37.8329 175.1049 8 E 4.4822 7.8835 122.4733 55.4216 29.9453 172.8940 9 Q 4.0779 8.4308 122.3986 54.8468 29.5396 175.8559 10 A 4.1641 7.8268 123.8994 50.5191 21.5946 176.3522 11 C 4.6049 7.6353 119.0530 57.5823 32.0180 174.1865 12 D 4.3170 8.4043 119.4372 57.7646 40.6377 178.4393 13 I 3.5556 7.6985 119.5545 64.2816 37.1736 177.9846 14 C 4.1977 7.9762 117.3190 62.5818 27.8578 175.2934 15 R 3.8515 7.5116 118.8950 59.8478 29.7279 178.6396 16 L 4.0675 7.5635 118.1871 58.0154 41.9932 179.7670 17 K 4.0511 7.5997 115.7383 56.2389 33.3765 176.7478 18 K 3.8695 7.5917 118.2250 56.8218 29.1007 174.3192 19 L 4.9188 7.3864 118.5587 52.2671 45.8457 176.9257 20 K 4.2658 8.3961 119.9337 56.6201 32.8003 177.2030 21 C 4.7118 8.0209 121.6854 56.2603 31.3425 173.2671 22 S 4.0340 8.2011 118.3443 59.4530 62.6941 176.8976 23 K 3.8726 8.2170 117.6630 55.6887 29.0087 175.8970 24 E 4.1411 7.9418 116.4470 56.7755 29.7088 176.5758 25 K 4.8543 8.2110 118.2254 53.9190 36.1627 174.9822 26 P 4.2918 0.0000 0.0000 65.3197 31.5348 176.8446 27 K 4.6492 7.7522 117.4987 53.9693 33.2419 176.5005 28 C 4.4488 8.6202 117.3221 58.1079 30.0183 173.9416 29 A 4.0057 8.7338 120.2948 55.9340 18.1749 178.6981 30 K 3.6204 8.4119 116.2212 61.1815 31.9949 178.1328 31 C 4.4286 8.1416 115.4516 62.8985 28.2829 175.8321 32 L 3.9268 7.3975 119.9892 58.2231 41.6745 179.0043 33 K 4.0437 7.6009 117.2919 58.2390 32.0266 178.0527 34 N 4.4275 6.8968 112.9962 50.6965 40.1000 173.8576 35 N 3.9588 7.4737 118.0308 53.7656 36.9704 172.4528 36 W 5.3148 7.9389 120.1588 54.6203 33.8964 175.6148 37 E 4.4519 8.4983 119.8608 54.3567 27.6463 174.6344 38 C 3.9040 7.9149 119.5866 59.6672 31.8341 172.6149 39 R 4.4102 8.4512 127.4508 54.5539 30.4272 175.5320 40 Y 5.0801 8.1167 129.2653 55.1552 37.5334 178.8112 41 S 4.5739 7.5233 112.6678 56.7498 63.4166 171.2534 42 P 3.8106 0.0000 0.0000 65.4203 31.9461 176.3071 43 K 4.0851 7.8110 126.1443 57.2118 32.0119 175.7845 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 4.42 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 K 7.99 3.96 0.00 1.73 1.65 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.55 7.81 3 L 10.06 4.03 0.00 1.83 1.69 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.39 4.63 0.00 1.62 1.62 0.92 0.89 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 5 S 7.74 4.65 0.00 4.00 3.91 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 0.00 0.00 0.00 0.00 6 S 8.17 4.55 0.00 4.02 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 7 I 8.08 4.59 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 1.30 0.83 0.92 0.00 0.00 8 E 7.88 4.48 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 9 Q 8.43 4.08 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 10 A 7.83 4.16 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.64 4.60 0.00 3.37 3.12 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 0.00 0.00 0.00 0.00 12 D 8.40 4.32 0.00 2.91 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 13 I 7.70 3.56 1.90 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.23 0.73 0.00 0.00 14 C 7.98 4.20 0.00 3.06 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.51 3.85 0.00 1.91 1.94 0.00 3.16 0.00 0.00 3.21 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 16 L 7.56 4.07 0.00 1.39 1.61 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.60 4.05 0.00 1.72 1.84 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.46 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 1.24 7.81 18 K 7.59 3.87 0.00 1.92 1.84 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.37 7.81 19 L 7.39 4.92 0.00 1.58 1.56 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.40 4.27 0.00 1.73 1.73 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.48 7.81 21 C 8.02 4.71 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.20 4.03 0.00 4.01 4.03 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 23 K 8.22 3.87 0.00 1.89 2.06 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.27 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.11 1.53 7.81 24 E 7.94 4.14 0.00 2.11 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 2.31 2.35 0.00 25 K 8.21 4.85 0.00 1.76 1.72 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.32 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.59 1.84 7.81 26 P 0.00 4.29 0.00 2.15 2.13 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 27 K 7.75 4.65 0.00 1.83 1.88 0.00 1.84 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.40 7.81 28 C 8.62 4.45 0.00 3.13 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.73 4.01 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 3.62 0.00 1.99 2.01 0.00 1.72 0.00 0.00 1.95 0.00 0.00 3.61 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.71 2.17 7.81 31 C 8.14 4.43 0.00 3.18 3.24 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 0.00 32 L 7.40 3.93 0.00 1.82 1.81 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.60 4.04 0.00 1.79 1.66 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.61 7.81 34 N 6.90 4.43 0.00 1.44 1.42 0.00 0.00 6.27 7.74 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 35 N 7.47 3.96 0.00 2.76 2.68 0.00 0.00 6.92 8.03 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 36 W 7.94 5.31 0.00 3.37 2.92 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 37 E 8.50 4.45 0.00 1.97 1.90 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 2.23 2.30 0.00 38 C 7.91 3.90 0.00 3.14 3.06 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 39 R 8.45 4.41 0.00 1.98 1.80 0.00 3.20 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 40 Y 8.12 5.08 0.00 3.04 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.52 4.57 0.00 3.78 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 3.81 0.00 2.08 1.97 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 43 K 7.81 4.09 0.00 1.64 1.60 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.49 7.81