NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 K 4.2427 8.3031 120.1339 56.0979 33.4810 174.6802 21 G 3.6788 8.3257 108.6260 45.2945 0.0000 171.8167 22 S 4.4717 8.3426 115.6114 57.2844 64.7927 173.1798 23 V 3.7512 8.1533 123.0130 62.7633 31.9417 175.5413 24 V 4.3630 8.0637 125.8148 60.8525 33.8718 174.8436 25 I 4.0227 8.3288 127.6388 61.3088 37.0028 175.9885 26 V 4.2133 8.3660 117.8717 60.0442 32.0391 175.5363 27 G 3.9657 7.1739 108.3751 45.9868 0.0000 171.9401 28 R 4.6936 8.0880 114.1356 54.6586 32.2982 174.3373 29 I 4.4599 8.1375 118.6848 59.4949 39.9744 175.1081 30 V 4.3134 8.4314 125.0609 61.1878 32.8298 175.0308 31 L 4.4651 8.4200 126.6539 55.8014 42.6339 177.6871 32 S 4.3154 8.0549 111.3666 59.3061 63.4468 174.7720 33 G 3.8155 7.7958 110.2177 45.5491 0.0000 172.9436 34 K 4.6829 8.0044 118.9975 53.0826 35.9107 174.4484 35 P 4.1481 0.0000 0.0000 63.3245 31.7911 175.6302 36 A 4.6168 8.0068 122.9262 50.8268 22.0087 175.7701 37 I 3.9602 8.1722 121.9788 60.3926 37.6492 176.1906 38 I 3.7210 8.3637 127.1744 60.4536 37.0779 174.2573 39 P 4.1167 0.0000 0.0000 62.8215 31.2870 176.1770 40 K 4.2058 8.5204 124.1363 55.5964 31.3395 176.5530 41 K 4.2007 8.2525 124.7400 56.5067 32.9791 176.5915 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 20 K 8.30 4.24 0.00 1.76 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.45 7.81 21 G 8.33 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.34 4.47 0.00 3.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.15 3.75 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 0.76 0.00 0.00 0.93 0.00 0.00 24 V 8.06 4.36 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 0.90 0.00 0.00 0.97 0.00 0.00 25 I 8.33 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 0.96 0.00 0.00 26 V 8.37 4.21 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 0.77 0.00 0.00 0.93 0.00 0.00 27 G 7.17 3.97 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 0.00 0.00 0.00 28 R 8.09 4.69 0.00 1.87 1.85 0.00 2.98 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 29 I 8.14 4.46 1.87 0.00 0.00 0.86 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 0.67 0.91 0.00 0.00 30 V 8.43 4.31 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 0.83 0.00 0.00 0.93 0.00 0.00 31 L 8.42 4.47 0.00 1.67 1.70 0.92 0.95 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 32 S 8.05 4.32 0.00 3.97 3.98 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 0.00 0.00 0.00 33 G 7.80 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 4.68 0.00 1.70 1.67 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.36 7.81 35 P 0.00 4.15 0.00 2.03 2.03 0.00 3.69 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 2.04 2.13 0.00 36 A 8.01 4.62 1.24 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 0.00 0.00 37 I 8.17 3.96 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.58 0.91 0.00 0.00 38 I 8.36 3.72 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.46 0.91 0.00 0.00 39 P 0.00 4.12 0.00 2.17 2.08 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 40 K 8.52 4.21 0.00 1.74 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.40 7.81 41 K 8.25 4.20 0.00 1.72 1.62 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.34 7.81