NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3124 8.1127 119.7064 55.9049 31.8279 175.8107 3 M 3.8105 8.6626 120.5301 58.2129 31.9978 177.0650 4 R 4.0613 8.7770 119.8421 59.4384 30.6991 177.9350 5 Q 4.0038 8.0128 117.3980 59.0039 28.7643 178.5684 6 I 3.7165 7.6784 120.6589 64.4990 37.1333 178.4171 7 E 3.9748 8.3461 119.3760 59.5028 29.2872 179.1224 8 D 4.3653 8.2397 118.9877 57.2132 40.8302 178.7585 9 R 3.8805 8.0571 119.2438 59.3981 30.1016 178.4772 10 L 3.9714 8.0577 118.7455 58.0423 41.5887 179.4904 11 E 4.0263 8.3474 118.3970 59.4674 29.4637 179.3080 12 E 3.9856 8.7403 119.0908 59.2740 29.3871 179.4861 13 I 3.7020 8.1539 120.4856 64.2673 37.0674 178.4141 14 L 3.7412 7.9846 119.7911 57.7488 41.4667 179.6425 15 S 4.2821 8.2788 115.2227 61.6751 62.8070 176.7727 16 K 3.9992 7.9530 121.9272 59.5234 31.8430 178.8532 17 L 3.9353 8.2404 119.7161 57.9497 41.4892 179.0967 18 Y 4.2103 7.9941 117.0598 61.1565 37.7950 178.0358 19 H 4.2073 8.4690 119.1981 59.4232 30.0526 177.1533 20 I 3.6487 8.3786 121.8993 64.7772 36.9116 178.2010 21 C 4.1529 8.4345 117.5834 62.8481 27.9911 175.6803 22 N 4.3166 8.2826 118.0628 56.6001 38.1897 177.2132 23 E 3.9467 8.1721 119.6290 59.4657 29.5328 179.5212 24 L 4.0048 8.4112 119.1832 57.6382 41.7433 179.3734 25 A 4.0021 8.4796 121.2935 55.0674 18.2374 179.6571 26 R 3.8364 8.1616 117.2590 59.5421 30.1293 178.7092 27 I 3.6708 7.7975 119.6171 64.3990 37.1137 178.1532 28 R 3.8679 8.0526 119.4057 59.6763 29.6558 178.5584 29 R 3.9273 7.7007 116.8134 59.2529 30.3546 178.1199 30 L 4.1401 8.2777 119.3724 57.8059 41.5014 179.4493 31 L 4.1287 8.3832 119.5304 57.7012 41.3520 179.5966 32 G 3.7597 7.9920 104.3549 46.2209 0.0000 174.4681 33 E 4.5716 7.5927 118.0871 56.1529 30.0643 176.1432 34 R 4.0937 7.6339 124.6099 56.8913 30.1321 176.2807 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 R 8.11 4.31 0.00 1.89 1.92 0.00 3.11 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 3 M 8.66 3.81 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.72 0.00 4 R 8.78 4.06 0.00 1.96 1.91 0.00 3.29 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 5 Q 8.01 4.00 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 6 I 7.68 3.72 2.01 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 1.52 0.57 0.91 0.00 0.00 7 E 8.35 3.97 0.00 2.16 2.00 0.00 0.00 0.00 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 2.46 0.00 8 D 8.24 4.37 0.00 2.85 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 9 R 8.06 3.88 0.00 2.00 2.06 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 10 L 8.06 3.97 0.00 1.91 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.35 4.03 0.00 2.14 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 0.00 2.35 2.65 0.00 12 E 8.74 3.99 0.00 2.08 2.00 0.00 0.00 0.00 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 2.52 0.00 13 I 8.15 3.70 2.05 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 1.50 0.65 0.86 0.00 0.00 14 L 7.98 3.74 0.00 2.03 1.74 0.75 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.28 4.28 0.00 4.03 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 16 K 7.95 4.00 0.00 1.91 1.92 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.53 7.81 17 L 8.24 3.94 0.00 1.55 1.47 0.79 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.99 4.21 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.47 4.21 0.00 3.24 3.55 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.38 3.65 1.98 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 1.52 0.61 0.89 0.00 0.00 21 C 8.43 4.15 0.00 3.20 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 22 N 8.28 4.32 0.00 2.93 2.89 0.00 0.00 7.07 7.26 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 23 E 8.17 3.95 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 24 L 8.41 4.00 0.00 1.75 1.71 0.91 0.71 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 25 A 8.48 4.00 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 26 R 8.16 3.84 0.00 2.01 1.93 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 27 I 7.80 3.67 2.01 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 1.40 0.50 0.91 0.00 0.00 28 R 8.05 3.87 0.00 1.99 2.08 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 29 R 7.70 3.93 0.00 2.14 2.09 0.00 3.43 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 30 L 8.28 4.14 0.00 1.81 1.70 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.38 4.13 0.00 1.83 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.99 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 33 E 7.59 4.57 0.00 2.13 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 0.00 2.46 2.32 0.00 34 R 7.63 4.09 0.00 1.90 1.88 0.00 3.19 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 1.66 1.76 0.00