NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 3.7382 8.0544 120.3329 62.9003 32.5189 174.7021 12 S 4.2443 8.1584 115.4044 56.5184 61.0677 171.1350 13 Y 5.0411 7.8318 123.9678 55.3456 41.0471 173.3930 14 P 4.8871 0.0000 0.0000 61.2867 33.7654 174.6773 15 I 4.0595 7.8879 109.6129 61.0456 39.8183 176.3694 16 F 3.9946 7.5042 121.2900 56.1895 37.9364 174.6239 17 T 4.6094 7.1372 116.7872 60.3559 69.8138 175.4766 18 V 3.7796 8.3881 125.3496 64.8951 31.2250 178.0214 19 R 4.0821 8.0183 115.7582 57.1693 30.0377 176.3044 20 W 4.5099 8.2075 126.6614 59.8979 31.7609 177.4166 21 V 3.0930 7.7365 116.3470 66.3755 31.0922 177.1060 22 A 4.1535 8.0623 120.6203 54.4402 18.0362 179.1767 23 V 3.4130 7.5858 114.6456 66.5351 31.4362 177.5931 24 H 4.1742 7.4367 111.6285 57.2090 28.7312 177.3168 25 T 3.9624 8.3346 120.2325 65.9287 67.9289 176.5066 26 L 3.9641 7.5151 121.1005 58.1943 41.0616 178.9052 27 A 3.9001 7.8973 122.1100 55.1449 18.3622 180.0344 28 V 3.5803 7.4892 117.2937 64.2428 31.5672 176.4862 29 P 4.0978 0.0000 0.0000 65.7410 30.9614 178.5135 30 T 3.8327 7.3254 114.8213 66.4286 68.5777 176.4107 31 I 3.8817 7.7475 119.8898 63.2184 37.8312 177.6262 32 F 4.3052 7.9569 121.3398 61.3719 39.3549 176.9724 33 F 4.5077 9.1773 118.5209 61.0905 38.5875 177.6665 34 L 4.1336 8.4720 117.5510 57.9060 41.3224 179.6767 35 G 3.6866 7.8668 104.0819 47.7474 0.0000 175.6992 36 A 4.1186 8.8044 123.4674 54.8180 18.3571 179.6841 37 I 3.6129 8.0038 118.6310 64.5058 36.8842 178.3681 38 A 3.7909 7.4175 119.3280 54.9490 18.4430 179.1689 39 A 3.9359 7.6822 118.8706 55.5679 17.7604 179.7604 40 M 4.0788 7.8800 116.9571 57.9400 31.8317 177.7237 41 Q 4.3536 7.5701 114.9411 56.5653 29.1855 177.0085 42 F 4.8571 7.7204 120.5265 59.5237 39.5504 176.4765 43 I 3.9450 6.5665 118.5235 61.9429 37.5774 175.2181 44 Q 4.3796 8.2010 117.8604 56.2040 30.7182 174.1338 45 R 4.1797 8.7764 117.6904 56.9226 30.6534 175.9082 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 11 V 8.05 3.74 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 0.92 0.00 0.00 0.84 0.00 0.00 12 S 8.16 4.24 0.00 3.90 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.83 5.04 0.00 2.93 2.71 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 14 P 0.00 4.89 0.00 2.17 2.09 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 15 I 7.89 4.06 1.25 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 0.72 0.00 0.00 16 F 7.50 3.99 0.00 2.95 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 17 T 7.14 4.61 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 1.30 0.00 0.00 18 V 8.39 3.78 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 0.75 0.00 0.00 0.98 0.00 0.00 19 R 8.02 4.08 0.00 1.84 2.03 0.00 3.37 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 20 W 8.21 4.51 0.00 3.38 3.45 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 21 V 7.74 3.09 2.12 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 0.90 0.00 0.00 1.27 0.00 0.00 22 A 8.06 4.15 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.59 3.41 2.02 0.00 0.00 0.00 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 0.96 0.00 0.00 24 H 7.44 4.17 0.00 2.08 2.90 0.00 5.90 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.33 3.96 4.13 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 0.00 0.00 0.00 1.12 0.00 0.00 26 L 7.52 3.96 0.00 1.72 1.80 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.90 3.90 1.22 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 0.00 0.00 28 V 7.49 3.58 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 0.83 0.00 0.00 0.98 0.00 0.00 29 P 0.00 4.10 0.00 1.65 2.04 0.00 3.51 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 30 T 7.33 3.83 4.41 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 1.22 0.00 0.00 31 I 7.75 3.88 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.24 1.03 0.00 0.00 32 F 7.96 4.31 0.00 3.29 3.16 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 33 F 9.18 4.51 0.00 3.15 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.47 4.13 0.00 1.63 1.77 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.87 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.80 4.12 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.00 3.61 2.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.59 0.88 0.00 0.00 38 A 7.42 3.79 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.68 3.94 1.35 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 0.00 0.00 40 M 7.88 4.08 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 41 Q 7.57 4.35 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 42 F 7.72 4.86 0.00 2.95 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 43 I 6.57 3.95 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.65 0.94 0.00 0.00 44 Q 8.20 4.38 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 5.56 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 45 R 8.78 4.18 0.00 1.88 2.24 0.00 3.27 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 1.46 1.56 0.00