NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3342 8.1733 120.1341 56.0746 33.6485 176.7399 3 L 3.9044 8.3384 122.6087 56.3703 41.4864 178.1570 4 K 3.9311 7.8845 120.0833 59.4755 32.6528 178.2857 5 Q 3.9753 8.0323 117.5159 59.2408 28.3813 178.6676 6 V 3.5116 7.5823 119.2814 65.6387 31.6281 177.7041 7 A 3.9875 8.1414 120.6633 55.5045 18.2295 179.3251 8 D 4.3160 8.3101 117.3491 57.3980 40.7780 179.0318 9 K 3.9877 8.0363 120.1819 59.4724 32.1408 178.9532 10 L 3.9728 8.2712 119.6710 57.6359 41.5088 179.0630 11 E 3.9439 8.3930 119.4780 59.2219 29.5911 178.5455 12 E 3.9658 8.2441 119.4486 59.2226 29.6944 178.9927 13 V 3.5732 8.1712 118.4423 65.7288 31.5713 177.5996 14 A 3.8214 8.1752 120.7766 55.4726 18.0975 179.7210 15 S 4.3565 8.2447 113.3249 61.8843 62.8431 177.0841 16 K 3.9745 8.1665 121.0251 59.4693 31.6969 179.4484 17 L 3.9231 8.0513 119.1677 57.9892 41.5468 178.9461 18 Y 4.2261 8.0900 117.1034 61.4733 37.7679 178.5023 19 H 4.1832 8.6502 119.1433 59.3726 29.9599 177.0238 20 N 4.4424 8.5599 118.4313 56.2268 38.3593 177.0293 21 A 3.9812 8.1998 122.2818 55.4184 18.4601 179.2921 22 N 4.2837 8.0278 114.9476 56.7272 38.9354 176.9046 23 E 3.9266 8.2822 120.1354 59.4865 29.5091 179.3962 24 L 3.9774 8.3108 119.0856 57.6444 41.6458 179.3997 25 A 4.0065 8.0654 120.7957 55.1686 18.3117 179.9177 26 R 3.8376 8.1406 116.6038 59.4576 30.0845 179.5094 27 V 3.5902 8.1903 118.1920 65.8558 31.4986 177.8372 28 A 3.9702 8.4047 121.0429 54.9605 17.9559 179.5703 29 K 3.8748 7.8070 117.1579 59.5308 32.5062 178.5850 30 L 4.1276 7.8677 119.2310 58.1289 41.7530 179.5804 31 L 4.1086 8.2992 119.0070 57.8602 41.3184 179.9088 32 G 3.7098 8.1565 104.7599 47.0510 0.0000 174.5519 33 E 4.5415 7.5552 117.4675 55.8513 29.9589 176.0626 34 R 4.0781 7.6419 125.1761 56.5720 30.1564 175.9357 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 K 8.17 4.33 0.00 1.84 1.80 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 3 L 8.34 3.90 0.00 1.81 1.72 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.88 3.93 0.00 1.82 1.80 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.50 7.81 5 Q 8.03 3.98 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 6 V 7.58 3.51 2.20 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 1.09 0.00 0.00 0.98 0.00 0.00 7 A 8.14 3.99 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 0.00 0.00 0.00 0.00 0.00 8 D 8.31 4.32 0.00 2.86 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 9 K 8.04 3.99 0.00 1.96 1.97 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 10 L 8.27 3.97 0.00 1.88 1.70 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.39 3.94 0.00 2.22 2.14 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 2.33 2.41 0.00 12 E 8.24 3.97 0.00 2.07 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 0.00 2.32 2.46 0.00 13 V 8.17 3.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.00 0.00 0.00 14 A 8.18 3.82 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.24 4.36 0.00 4.11 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 16 K 8.17 3.97 0.00 2.00 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.31 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.69 7.81 17 L 8.05 3.92 0.00 1.61 1.53 0.82 0.68 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 18 Y 8.09 4.23 0.00 3.19 2.97 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 19 H 8.65 4.18 0.00 3.40 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.56 4.44 0.00 2.93 2.85 0.00 0.00 6.94 8.21 0.00 0.00 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 A 8.20 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.03 4.28 0.00 2.85 2.93 0.00 0.00 7.28 8.57 0.00 0.00 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 E 8.28 3.93 0.00 2.18 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 0.00 2.26 2.34 0.00 24 L 8.31 3.98 0.00 1.81 1.71 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.07 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.14 3.84 0.00 2.05 1.98 0.00 3.12 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 27 V 8.19 3.59 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.00 0.00 0.00 28 A 8.40 3.97 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 29 K 7.81 3.87 0.00 1.87 2.01 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.52 7.81 30 L 7.87 4.13 0.00 1.97 1.71 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.30 4.11 0.00 1.80 1.72 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.16 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.56 4.54 0.00 1.90 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 0.00 2.26 2.28 0.00 34 R 7.64 4.08 0.00 1.95 1.99 0.00 3.34 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00