NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9851 8.3549 109.7385 45.7181 0.0000 172.5595 3 T 4.5517 8.1936 114.7842 61.3858 71.5249 172.4179 4 T 4.6491 9.1300 121.9526 61.9918 72.9987 173.1875 5 T 4.5340 8.5208 121.6497 61.9258 70.1196 173.6207 6 M 4.6628 8.4817 124.0071 52.9914 33.4981 175.5921 7 G 3.7506 8.5977 111.4445 44.8864 0.0000 173.0808 8 V 4.0963 8.3048 126.9191 60.1368 32.7241 176.2744 9 K 4.2241 8.5851 127.2254 53.8112 31.5115 172.5100 10 L 4.8309 8.1616 124.6906 51.4082 44.6534 177.2204 11 D 4.6409 8.3613 122.6290 53.0232 41.6523 177.2447 12 D 4.3210 8.5792 119.8657 57.3516 40.8339 178.8001 13 A 3.9789 7.9860 120.8011 55.5603 18.3612 179.6721 14 T 3.7893 8.1988 114.0433 66.7389 68.5395 176.7437 15 R 3.8716 8.0715 120.6173 59.7585 29.9753 178.4356 16 E 4.0165 8.5034 118.3990 59.2578 29.3969 179.4930 17 R 3.9238 8.1109 118.2708 59.2042 30.0886 179.1498 18 I 3.7079 7.9514 119.5947 64.3632 37.1697 178.5368 19 K 3.9612 8.1355 119.2527 59.6320 31.9504 179.5982 20 S 4.0911 8.4062 115.2906 61.6581 62.6778 176.7033 21 A 4.0166 8.2240 123.2769 54.9265 18.0088 179.5508 22 A 4.0196 8.4936 119.7743 55.6988 18.5337 179.8993 23 T 3.7992 7.9330 114.2338 67.0142 68.3153 177.0292 24 R 4.0331 7.8674 118.7992 58.2556 30.0218 178.1093 25 I 4.2688 7.0242 110.5963 59.7363 38.1743 175.0222 26 D 4.3311 8.0466 117.8723 56.1810 38.5605 173.2992 27 R 4.5063 8.0576 116.2946 53.9882 34.1010 175.8619 28 T 4.5088 8.0145 109.0679 60.2865 71.6941 173.7917 29 P 4.3055 0.0000 0.0000 66.0951 31.3402 178.4575 30 H 4.0823 8.2525 116.4603 58.9507 29.9001 176.7405 31 W 4.0843 8.2059 129.9444 60.4887 30.4913 177.4178 32 L 4.1359 8.2444 120.0893 58.4593 41.5234 179.0068 33 I 3.5951 7.8516 119.5536 64.3074 36.9742 178.6042 34 K 3.4093 7.7456 119.2012 59.1879 31.7095 179.2168 35 Q 3.6221 7.7922 119.9308 58.8159 28.8050 177.9038 36 A 3.9349 8.0986 122.2133 55.3020 18.3297 179.6524 37 I 3.5635 7.4941 117.9400 64.5498 37.1728 178.5372 38 F 4.5105 7.6430 118.5347 60.9728 38.8823 178.0374 39 S 4.1751 8.4018 114.7686 61.7209 62.5524 176.1923 40 Y 4.0680 8.2728 122.2878 60.6679 38.5085 177.8155 41 L 3.8993 8.4438 120.4034 57.8099 41.5842 179.1696 42 E 3.9009 8.2482 119.4065 59.2562 29.3715 178.8841 43 Q 3.9253 7.6611 116.3238 59.2096 28.7198 177.9348 44 L 3.8641 7.6236 121.6191 57.6303 42.1759 178.2906 45 E 4.1974 8.2916 119.4310 57.6513 30.0391 177.4625 46 N 4.6297 7.1246 116.4709 51.5508 38.4682 180.4335 47 S 4.3993 8.4332 118.2620 58.0202 63.8191 174.2493 48 D 4.5184 8.5426 122.9128 54.5044 40.8162 176.3952 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 G 8.35 3.99 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 0.00 0.00 0.00 3 T 8.19 4.55 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 4 T 9.13 4.65 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 1.21 0.00 0.00 5 T 8.52 4.53 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 1.22 0.00 0.00 6 M 8.48 4.66 0.00 2.08 2.00 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 2.43 2.46 0.00 7 G 8.60 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 4.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.89 0.00 0.00 9 K 8.59 4.22 0.00 1.80 1.67 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.03 7.81 10 L 8.16 4.83 0.00 1.57 1.55 0.90 1.09 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 11 D 8.36 4.64 0.00 2.86 2.79 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 12 D 8.58 4.32 0.00 2.70 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 13 A 7.99 3.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 3.79 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 15 R 8.07 3.87 0.00 1.87 2.09 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 16 E 8.50 4.02 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 17 R 8.11 3.92 0.00 2.04 1.98 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 18 I 7.95 3.71 2.03 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 1.52 0.73 0.93 0.00 0.00 19 K 8.14 3.96 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.60 7.81 20 S 8.41 4.09 0.00 4.04 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 21 A 8.22 4.02 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 22 A 8.49 4.02 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.93 3.80 4.37 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 1.20 0.00 0.00 24 R 7.87 4.03 0.00 2.00 2.00 0.00 3.14 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 25 I 7.02 4.27 1.83 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.68 0.93 0.00 0.00 26 D 8.05 4.33 0.00 2.75 2.69 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 27 R 8.06 4.51 0.00 1.67 1.75 0.00 2.21 0.00 0.00 2.65 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.00 28 T 8.01 4.51 4.32 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 1.24 0.00 0.00 29 P 0.00 4.31 0.00 2.22 2.18 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 30 H 8.25 4.08 0.00 3.22 3.36 0.00 5.69 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 31 W 8.21 4.08 0.00 3.54 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.14 0.00 2.00 1.94 1.06 1.14 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 33 I 7.85 3.60 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.61 0.76 0.00 0.00 34 K 7.75 3.41 0.00 1.55 1.33 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.10 1.21 7.81 35 Q 7.79 3.62 0.00 0.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 36 A 8.10 3.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.49 3.56 1.53 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.75 0.00 0.00 38 F 7.64 4.51 0.00 3.11 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 39 S 8.40 4.18 0.00 3.91 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 40 Y 8.27 4.07 0.00 3.11 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 41 L 8.44 3.90 0.00 1.93 1.75 1.02 nan 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 42 E 8.25 3.90 0.00 2.18 2.06 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 2.29 2.30 0.00 43 Q 7.66 3.93 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 44 L 7.62 3.86 0.00 1.29 1.67 0.74 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.29 4.20 0.00 1.99 1.96 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 2.30 2.34 0.00 46 N 7.12 4.63 0.00 2.72 2.60 0.00 0.00 7.04 7.53 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 47 S 8.43 4.40 0.00 3.84 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 48 D 8.54 4.52 0.00 2.64 2.55 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