NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 46 M 4.3441 8.3001 120.3115 55.6513 33.0977 174.5569 47 A 4.2609 8.2779 121.4886 51.6792 19.1691 176.5483 48 T 3.9963 7.8332 111.7735 63.3448 70.0911 172.0841 49 T 4.5590 8.1631 115.9970 59.5149 71.4571 174.4092 50 T 4.1454 8.3198 119.2358 63.3466 67.5705 174.2291 51 L 4.7572 8.0983 125.8543 52.2232 44.5851 176.8126 52 G 3.7648 8.4492 109.9271 45.3517 0.0000 173.4596 53 V 4.4258 8.0554 123.4638 60.8008 34.8966 174.5732 54 K 4.4369 8.4424 123.2002 55.0358 32.5464 176.4860 55 L 4.7503 8.0571 123.1081 52.1937 45.7551 176.7009 56 D 4.6755 8.4075 122.0780 53.4968 43.2093 177.3628 57 D 4.3894 8.5914 122.2081 57.3419 40.9004 177.6688 58 P 4.2997 0.0000 0.0000 66.1674 31.1574 178.5116 59 T 3.8493 7.7288 115.1642 66.2939 68.4959 176.4004 60 R 3.8575 8.5752 121.0653 59.5760 30.0905 178.4805 61 E 3.9904 8.2371 118.3699 59.3128 29.3323 179.2316 62 R 3.9130 8.2741 119.2230 59.4120 30.1194 178.5314 63 L 3.8097 8.1161 119.0705 57.5976 41.5207 179.4119 64 K 3.9205 7.8771 118.8566 59.4664 32.1102 178.7271 65 A 3.9733 8.4124 121.2850 55.0744 18.1935 179.4509 66 A 3.8517 8.7782 120.1798 55.0872 18.3391 179.6512 67 A 3.8711 8.2972 119.6018 55.5652 18.3624 179.9523 68 Q 3.7975 8.3534 116.8867 59.2690 28.5417 179.2449 69 S 4.1723 8.5033 115.7205 60.6388 62.9102 175.4875 70 I 4.1669 7.6054 118.5284 59.5459 38.4504 174.5735 71 D 4.4686 7.7923 116.5632 56.4346 38.6130 173.6744 72 R 4.8813 8.6117 116.6120 53.9691 34.0591 176.5013 73 T 4.2255 8.5345 114.2631 61.1042 69.4224 173.6424 74 P 4.2269 0.0000 0.0000 66.2309 31.4806 178.1778 75 H 4.1824 8.3288 116.1513 59.1474 29.7810 176.9693 76 W 4.6424 8.3058 129.6016 60.4492 30.4320 177.4694 77 L 3.6104 8.8310 121.4542 58.1898 41.4388 178.9729 78 I 3.7918 8.3727 120.2066 64.2436 36.9654 178.5363 79 K 4.0302 7.9525 118.9763 59.6902 31.6798 179.4975 80 Q 4.0586 8.3183 117.9371 58.9248 27.9998 178.0310 81 A 3.9696 8.8016 123.9195 55.0130 18.3056 179.3124 82 I 3.8897 7.5896 116.5090 63.7978 38.1816 177.8347 83 F 4.3555 8.4883 121.7194 61.3897 39.3430 176.8316 84 N 3.5508 8.9687 117.3461 55.9951 38.7237 176.1944 85 Y 4.0857 7.4603 120.1948 60.6456 38.8610 178.0992 86 L 3.7286 7.6349 119.5549 57.6185 41.5010 179.0216 87 E 3.8209 7.7681 118.4521 59.2043 29.5590 178.7758 88 K 4.0285 8.1279 118.1393 59.1408 32.2000 178.9309 89 L 4.0661 7.2433 118.1744 57.8543 40.6874 177.2793 90 E 4.1991 7.9174 123.7061 56.5690 29.5622 176.3279 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 46 M 8.30 4.34 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 47 A 8.28 4.26 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 48 T 7.83 4.00 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 1.24 0.00 0.00 49 T 8.16 4.56 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 1.27 0.00 0.00 50 T 8.32 4.15 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 51 L 8.10 4.76 0.00 1.61 1.56 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.45 3.76 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 0.00 0.00 0.00 53 V 8.06 4.43 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 0.85 0.00 0.00 0.94 0.00 0.00 54 K 8.44 4.44 0.00 1.74 1.72 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.50 7.81 55 L 8.06 4.75 0.00 1.55 1.48 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.41 4.68 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.59 4.39 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.30 0.00 2.25 2.30 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 59 T 7.73 3.85 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 60 R 8.58 3.86 0.00 1.98 2.14 0.00 3.14 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 1.72 0.00 61 E 8.24 3.99 0.00 2.25 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 2.33 2.48 0.00 62 R 8.27 3.91 0.00 1.99 2.03 0.00 3.23 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 63 L 8.12 3.81 0.00 1.97 1.68 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.88 3.92 0.00 1.84 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 65 A 8.41 3.97 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 66 A 8.78 3.85 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.30 3.87 1.45 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 0.00 0.00 68 Q 8.35 3.80 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 69 S 8.50 4.17 0.00 3.92 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 70 I 7.61 4.17 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.78 0.88 0.00 0.00 71 D 7.79 4.47 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.61 4.88 0.00 1.56 1.74 0.00 2.70 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 73 T 8.53 4.23 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 74 P 0.00 4.23 0.00 2.24 2.16 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 75 H 8.33 4.18 0.00 3.31 3.41 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 W 8.31 4.64 0.00 3.37 3.24 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 77 L 8.83 3.61 0.00 1.61 1.80 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.37 3.79 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.40 0.92 0.00 0.00 79 K 7.95 4.03 0.00 2.32 2.10 0.00 1.55 0.00 0.00 1.94 0.00 0.00 3.27 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.60 7.81 80 Q 8.32 4.06 0.00 1.80 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.54 0.00 0.00 0.00 0.00 0.00 1.46 2.17 0.00 81 A 8.80 3.97 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 82 I 7.59 3.89 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.33 1.11 0.00 0.00 83 F 8.49 4.36 0.00 3.15 3.37 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 84 N 8.97 3.55 0.00 2.24 2.72 0.00 0.00 6.62 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 7.46 4.09 0.00 3.25 3.12 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 0.00 0.00 0.00 0.00 86 L 7.63 3.73 0.00 1.96 1.70 1.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 87 E 7.77 3.82 0.00 1.47 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 2.19 2.25 0.00 88 K 8.13 4.03 0.00 1.70 1.75 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.69 7.81 89 L 7.24 4.07 0.00 1.63 1.44 0.78 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.92 4.20 0.00 2.10 1.87 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 2.45 2.42 0.00