NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 G 3.8797 8.3501 109.7406 45.5832 0.0000 172.9434 23 A 4.1330 8.5442 126.2390 51.3441 19.4061 176.0077 24 M 4.3106 8.6197 122.7203 55.6836 34.3143 174.5733 25 G 3.9893 8.7592 112.6812 46.1135 0.0000 175.1740 26 Y 4.6067 7.1675 116.7415 56.4199 37.5223 177.0507 27 V 3.8788 7.4795 112.8840 61.9074 32.7448 176.2771 28 N 4.6890 8.9874 122.9046 55.8173 40.0408 176.5217 29 D 4.4561 8.1380 117.4017 56.0381 40.0791 178.1061 30 A 4.0254 8.0073 122.1540 54.8805 18.4938 179.1010 31 F 4.5448 8.2509 117.9688 60.7561 39.6004 177.4970 32 K 3.8614 7.5520 118.7353 58.9096 31.7819 178.5340 33 D 4.2881 8.6044 118.7172 57.2618 41.0366 177.8991 34 A 4.0150 8.0722 121.2954 55.6588 18.3654 179.6078 35 L 3.9428 7.6020 116.3216 57.2702 41.6238 179.5951 36 Q 4.0042 8.0522 118.4661 58.9529 28.5912 178.9615 37 R 4.1970 8.1396 120.0933 58.4222 30.0300 178.9057 38 A 3.9716 8.0400 120.8868 55.3755 18.3915 179.8541 39 R 4.0233 8.4056 116.5390 58.4516 29.8568 178.7771 40 Q 3.9572 7.7864 120.3934 59.3813 28.8993 178.7912 41 I 3.8075 8.3012 113.9641 63.7862 37.5819 177.7272 42 A 4.8750 8.0955 122.8875 53.6110 18.4353 179.4176 43 A 4.3226 8.3625 121.8050 54.4489 18.2114 179.9844 44 K 4.2384 7.6488 116.8468 58.3431 33.1683 177.6959 45 I 4.4319 8.0084 114.6562 59.6244 39.8887 173.5382 46 G 3.2811 8.5563 118.6854 44.7828 0.0000 174.0447 47 G 3.7651 8.3475 113.0217 44.2476 0.0000 171.9532 48 D 4.6546 9.0239 126.1024 53.2193 41.6067 175.6805 49 A 4.5963 8.8241 128.2325 51.6924 20.7567 176.0950 50 G 3.9826 8.8035 110.4956 45.8794 0.0000 175.4349 51 T 4.1901 8.2992 116.0507 63.4625 70.3386 175.0888 52 S 4.2823 7.5597 120.4630 59.1719 62.3413 175.7454 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 22 G 8.35 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.54 4.13 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 24 M 8.62 4.31 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 25 G 8.76 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 26 Y 7.17 4.61 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.48 3.88 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.99 0.00 0.00 28 N 8.99 4.69 0.00 2.85 2.83 0.00 0.00 6.97 8.51 0.00 0.00 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 D 8.14 4.46 0.00 3.01 2.91 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 30 A 8.01 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.25 4.54 0.00 3.03 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 32 K 7.55 3.86 0.00 2.02 1.78 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.71 7.81 33 D 8.60 4.29 0.00 2.78 2.91 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 34 A 8.07 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 35 L 7.60 3.94 0.00 1.57 1.53 0.82 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.05 4.00 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.69 0.00 37 R 8.14 4.20 0.00 2.01 1.97 0.00 3.15 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 38 A 8.04 3.97 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 39 R 8.41 4.02 0.00 1.81 1.96 0.00 3.12 0.00 0.00 3.07 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 40 Q 7.79 3.96 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 41 I 8.30 3.81 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.89 1.01 0.00 0.00 42 A 8.10 4.87 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.36 4.32 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.65 4.24 0.00 1.89 1.95 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.52 7.81 45 I 8.01 4.43 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 1.28 0.84 0.91 0.00 0.00 46 G 8.56 3.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.35 3.77 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 0.00 0.00 0.00 48 D 9.02 4.65 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.82 4.60 1.25 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 0.00 0.00 50 G 8.80 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 0.00 0.00 0.00 51 T 8.30 4.19 4.24 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 1.21 0.00 0.00 52 S 7.56 4.28 0.00 3.90 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