NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1925 8.2516 119.7237 55.2464 33.4106 174.2573 2 K 4.1252 8.4226 125.2612 53.8707 33.1754 170.4672 3 V 3.4759 9.1562 127.2683 62.3560 32.1014 175.4893 4 R 4.0063 8.2642 120.0277 55.7362 30.6025 176.4733 5 S 4.3509 8.4439 114.1695 60.4074 63.6190 174.3767 6 S 4.6954 7.6478 118.1717 56.2946 61.2251 174.1663 7 V 3.4017 7.5162 124.1513 59.9685 31.6931 172.9298 8 K 3.8471 7.9454 130.3903 53.9605 33.5388 176.0166 9 K 4.1842 8.4793 123.5894 57.4383 32.5728 174.8367 10 M 4.1940 7.8664 116.5677 55.2738 34.1402 176.8874 11 C 4.6665 7.2966 116.6164 57.1454 34.5282 174.4889 12 E 3.9116 8.3403 121.6681 58.6570 29.0961 176.7320 13 F 4.8502 7.7774 116.2017 57.9786 39.0231 174.4090 14 C 4.7898 7.7080 118.8000 58.1094 29.4863 173.9000 15 K 4.2203 8.1501 125.5388 55.9655 32.7250 175.9814 16 T 3.5953 7.7246 104.5421 62.1808 66.7575 169.7798 17 V 4.3125 8.2771 127.5510 61.4060 33.6490 174.6286 18 K 4.4581 8.5031 128.1532 55.6549 33.0349 176.0237 19 R 4.5725 8.5872 124.9270 55.5705 33.3733 175.6792 20 R 3.8800 9.7007 122.7986 57.3921 27.5567 177.4599 21 G 3.8142 8.3631 103.2651 45.6982 0.0000 173.9227 22 R 4.1255 7.7285 120.1830 53.7131 31.1127 175.6507 23 V 3.7884 8.0535 123.8667 63.0580 31.7714 174.6380 24 Y 4.9623 8.7137 125.2618 56.4644 41.7295 175.5814 25 V 4.3966 8.2783 118.8326 61.5995 33.9745 173.4075 26 I 4.5543 8.2909 128.8273 60.2538 38.5973 174.2473 27 C 5.3038 8.6008 127.5028 57.5916 33.4611 174.4717 28 S 4.1088 8.9379 120.7485 59.8275 62.6599 174.7747 29 S 4.0185 6.7396 117.0687 58.7332 62.8964 172.8782 30 N 4.8691 7.5111 117.6202 50.5985 40.8512 173.8066 31 P 4.4866 0.0000 0.0000 65.2477 31.6211 178.7924 32 K 4.0606 7.9388 116.2527 59.1268 32.0590 177.5148 33 H 4.4766 8.3216 115.2090 56.9866 29.2489 175.1342 34 K 5.0282 8.1008 121.9528 56.2782 32.8323 175.7367 35 Q 4.7802 8.7284 126.2579 55.8326 32.3191 176.0574 36 R 4.4172 8.6514 123.6772 57.9527 29.3926 178.1220 37 Q 4.0833 9.5490 113.9606 55.6727 30.7398 175.2536 38 G 4.2410 8.2909 109.9373 46.7519 0.0000 172.6934 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 8.25 5.19 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 2 K 8.42 4.13 0.00 1.88 1.70 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 3 V 9.16 3.48 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.96 0.00 0.00 4 R 8.26 4.01 0.00 2.02 1.94 0.00 3.26 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 5 S 8.44 4.35 0.00 3.87 3.88 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 0.00 0.00 0.00 6 S 7.65 4.70 0.00 3.84 3.82 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 7 V 7.52 3.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.95 0.00 0.00 8 K 7.95 3.85 0.00 1.90 1.82 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.40 7.81 9 K 8.48 4.18 0.00 1.91 1.81 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 10 M 7.87 4.19 0.00 1.68 1.86 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 11 C 7.30 4.67 0.00 3.03 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 12 E 8.34 3.91 0.00 1.71 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 13 F 7.78 4.85 0.00 3.16 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.71 4.79 0.00 2.98 2.88 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 0.00 0.00 0.00 15 K 8.15 4.22 0.00 1.76 1.86 0.00 1.86 0.00 0.00 1.78 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 16 T 7.72 3.60 4.26 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 1.23 0.00 0.00 17 V 8.28 4.31 2.15 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 1.05 0.00 0.00 0.97 0.00 0.00 18 K 8.50 4.46 0.00 1.73 1.68 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.36 7.81 19 R 8.59 4.57 0.00 2.27 1.95 0.00 3.58 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 20 R 9.70 3.88 0.00 2.01 2.03 0.00 3.34 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 21 G 8.36 3.81 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 0.00 0.00 0.00 22 R 7.73 4.13 0.00 1.45 1.20 0.00 3.26 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 23 V 8.05 3.79 1.97 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 0.76 0.00 0.00 0.85 0.00 0.00 24 Y 8.71 4.96 0.00 3.05 2.76 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 25 V 8.28 4.40 2.15 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 1.03 0.00 0.00 0.97 0.00 0.00 26 I 8.29 4.55 1.90 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 1.22 0.58 0.91 0.00 0.00 27 C 8.60 5.30 0.00 3.06 2.91 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 28 S 8.94 4.11 0.00 3.93 3.93 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 0.00 0.00 0.00 29 S 6.74 4.02 0.00 3.57 3.84 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 30 N 7.51 4.87 0.00 2.29 2.54 0.00 0.00 6.87 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 31 P 0.00 4.49 0.00 2.15 2.10 0.00 3.56 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 32 K 7.94 4.06 0.00 1.77 1.92 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 33 H 8.32 4.48 0.00 3.20 3.37 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.10 5.03 0.00 1.86 1.90 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.27 7.81 35 Q 8.73 4.78 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 36 R 8.65 4.42 0.00 1.87 1.76 0.00 3.34 0.00 0.00 3.23 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.92 0.00 37 Q 9.55 4.08 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 38 G 8.29 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 0.00 0.00 0.00 0.00