NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.1538 8.3349 116.7644 58.7918 63.6838 173.7117 2 H 4.4311 7.8858 126.8194 55.2955 28.7655 174.5349 3 Y 4.5918 8.2122 118.6952 56.5178 39.5436 175.9316 4 E 4.1827 8.8136 124.6604 56.7630 30.1899 175.8490 5 E 4.6337 8.3708 118.9838 55.1230 33.7553 176.1519 6 G 3.9626 8.7730 104.8604 44.2360 0.0000 170.9852 7 P 4.1318 0.0000 0.0000 64.2502 31.3427 177.2737 8 G 3.8908 8.9479 110.6690 45.6101 0.0000 173.5891 9 K 4.4295 8.1974 117.7262 56.0272 33.4986 176.2248 10 N 4.9153 7.8944 116.1230 52.2530 37.8446 174.4065 11 I 4.4987 7.1143 110.2961 59.4506 40.6574 172.7708 12 P 4.5823 0.0000 0.0000 62.6848 31.5098 175.7307 13 F 4.9183 6.5516 113.1427 54.7477 40.6257 174.5844 14 S 4.2314 8.8002 118.4928 58.6393 62.7420 173.8844 15 V 4.5749 8.0637 125.0228 61.5175 31.8547 176.6087 16 E 3.9939 8.1363 122.8091 58.9824 29.6550 177.1383 17 N 4.8725 7.8825 117.7151 51.2722 41.0367 175.0389 18 K 3.7807 8.4642 128.5622 59.3819 32.4535 178.6357 19 W 4.4646 8.7501 120.5539 59.1007 29.1971 178.5199 20 R 4.0239 8.1800 118.4582 58.9873 29.6107 178.1671 21 L 3.8915 7.9700 120.3420 58.1518 42.1527 178.3560 22 L 3.9082 7.7301 119.8966 58.5869 41.8635 178.9670 23 A 4.1301 8.0818 120.2672 55.1223 18.3219 179.6038 24 M 3.9976 8.3893 117.6428 59.0159 32.1427 178.9390 25 M 4.1836 8.5518 119.0299 58.5846 31.9671 179.1732 26 T 3.9806 7.8800 115.6423 66.7329 68.6546 176.7833 27 L 4.0346 7.9848 120.9375 58.3541 41.3765 178.5620 28 F 4.0631 8.7533 120.8970 61.5486 39.1357 177.0873 29 F 4.1126 9.1738 116.8117 60.4221 39.0806 177.9448 30 G 3.8678 8.5790 105.8679 48.1127 0.0000 175.8348 31 S 4.3162 8.4818 116.8724 60.8180 62.7629 176.8722 32 G 3.4696 7.3946 108.5040 47.7817 0.0000 175.2258 33 F 4.3623 8.2882 122.3610 60.7211 39.6384 176.6797 34 A 4.5380 8.4916 120.3368 54.5359 18.2669 179.0993 35 A 4.0078 7.9260 119.2810 55.2716 18.5162 177.9046 36 P 4.0800 0.0000 0.0000 65.8415 31.2974 178.6996 37 F 3.9627 7.9687 115.8180 60.6862 38.8761 177.4546 38 F 4.1682 8.6600 116.6763 59.7557 38.7822 178.0676 39 I 3.8303 7.8046 120.2365 64.1454 36.8806 178.4934 40 V 3.5309 7.6889 118.9504 65.9475 31.3957 177.9455 41 R 3.8756 7.7294 118.1704 59.7153 29.6054 177.9148 42 H 4.1931 7.9656 116.9671 59.4887 29.9752 177.0309 43 Q 4.0288 7.8988 118.6482 58.8605 28.6481 178.4133 44 L 4.1401 8.3896 119.0415 56.0443 42.9602 178.2330 45 L 4.6913 7.2923 119.6761 51.5352 39.2744 175.7305 46 K 4.5428 6.3422 116.6593 55.1409 36.7784 176.5213 47 K 3.9585 8.3595 121.7295 57.4673 32.2677 174.3727 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 S 8.33 4.15 0.00 3.89 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 2 H 7.89 4.43 0.00 3.04 3.17 0.00 5.69 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.21 4.59 0.00 3.01 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 4 E 8.81 4.18 0.00 1.98 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 2.34 2.29 0.00 5 E 8.37 4.63 0.00 1.90 1.81 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 2.22 2.49 0.00 6 G 8.77 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 0.00 0.00 0.00 7 P 0.00 4.13 0.00 2.03 2.04 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 8 G 8.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.43 0.00 1.98 1.80 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.30 7.81 10 N 7.89 4.92 0.00 2.75 2.83 0.00 0.00 5.84 7.81 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 11 I 7.11 4.50 0.95 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.03 0.72 0.00 0.00 12 P 0.00 4.58 0.00 2.23 2.16 0.00 3.54 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 13 F 6.55 4.92 0.00 3.09 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 14 S 8.80 4.23 0.00 3.87 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.06 4.57 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.02 0.00 0.00 16 E 8.14 3.99 0.00 1.97 2.05 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 2.34 2.39 0.00 17 N 7.88 4.87 0.00 2.76 2.71 0.00 0.00 6.96 6.17 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 18 K 8.46 3.78 0.00 1.51 1.73 0.00 1.01 0.00 0.00 1.11 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.65 0.21 7.81 19 W 8.75 4.46 0.00 3.54 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.18 4.02 0.00 1.95 1.97 0.00 3.23 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 21 L 7.97 3.89 0.00 1.81 1.74 1.01 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.73 3.91 0.00 2.04 1.95 1.21 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.08 4.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 M 8.39 4.00 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.61 0.00 25 M 8.55 4.18 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 26 T 7.88 3.98 4.55 0.00 0.00 0.00 0.00 0.00 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 27 L 7.98 4.03 0.00 1.97 1.77 0.96 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 28 F 8.75 4.06 0.00 3.07 3.02 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 0.00 0.00 0.00 0.00 29 F 9.17 4.11 0.00 3.22 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.58 3.87 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 0.00 0.00 0.00 31 S 8.48 4.32 0.00 4.01 4.25 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 0.00 0.00 0.00 0.00 32 G 7.39 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.36 0.00 3.08 3.20 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 34 A 8.49 4.54 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 4.01 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 36 P 0.00 4.08 0.00 1.61 1.82 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.06 0.00 37 F 7.97 3.96 0.00 3.30 2.93 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 38 F 8.66 4.17 0.00 3.21 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 3.83 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.99 0.91 0.00 0.00 40 V 7.69 3.53 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 0.83 0.00 0.00 0.82 0.00 0.00 41 R 7.73 3.88 0.00 1.88 2.02 0.00 3.06 0.00 0.00 2.76 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 42 H 7.97 4.19 0.00 3.30 3.53 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.90 4.03 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 44 L 8.39 4.14 0.00 1.76 1.71 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.29 4.69 0.00 1.65 1.61 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 46 K 6.34 4.54 0.00 1.76 1.61 0.00 1.39 0.00 0.00 1.46 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.44 7.81 47 K 8.36 3.96 0.00 1.66 1.61 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.16 1.23 7.81