NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4274 8.1933 116.7919 58.5482 63.2172 172.4612 2 N 4.9944 8.2670 122.6701 49.5410 40.1333 173.2945 3 P 5.5062 0.0000 0.0000 62.6061 32.9299 177.4547 4 K 3.8397 8.2186 120.8939 60.1921 31.7192 177.3517 5 D 4.8945 8.7345 117.9632 54.7794 41.1369 178.6434 6 D 4.2830 8.2001 123.3993 57.3772 40.7109 177.8446 7 Y 4.3963 8.2496 117.8389 60.0559 37.6282 178.5135 8 K 3.5804 6.6282 119.3920 58.6260 31.8444 178.6369 9 I 3.3105 7.3429 119.4051 63.6062 37.4950 177.0744 10 W 5.1255 7.1615 118.2745 57.4239 29.0431 177.3014 11 L 4.4263 7.9704 119.0416 55.5862 41.5537 177.9910 12 V 4.0467 7.4578 117.1169 62.8906 32.9017 175.4272 13 I 4.4956 7.4871 112.3097 58.7171 39.6034 174.0237 14 N 4.9508 8.9854 123.1423 52.0926 39.0490 173.7060 15 P 4.3461 0.0000 0.0000 65.9276 30.8564 178.4093 16 S 4.0887 8.0225 113.8868 60.9501 62.7835 175.7289 17 T 3.9791 7.6576 117.4778 65.5509 69.1592 176.8604 18 W 4.6196 7.8012 119.5439 58.6500 29.2143 178.4382 19 L 3.6751 7.7724 120.9332 57.6311 41.4206 177.2863 20 P 3.8331 0.0000 0.0000 65.1957 31.1737 178.8077 21 V 3.6755 7.6397 117.1410 65.9042 31.7123 177.9595 22 I 3.8572 8.1118 112.7534 63.4123 37.4073 178.3496 23 W 4.5419 7.7901 121.4534 59.6983 28.9930 178.5236 24 I 3.7943 8.1840 119.9114 64.4231 36.6171 178.5498 25 V 3.6459 8.2079 119.0579 66.1521 31.3778 177.9424 26 A 4.1132 8.0810 119.9008 55.4296 18.1421 179.8243 27 T 3.9045 8.0343 114.4614 66.6681 68.4455 177.2167 28 V 3.6086 7.9620 120.2665 65.9035 31.5030 178.1813 29 V 3.5793 7.9591 117.7666 66.0861 31.3787 177.8085 30 A 4.0840 8.1148 120.3965 55.2576 18.1562 179.7647 31 I 3.6945 7.9801 118.1533 64.3694 37.1760 178.4546 32 A 4.0060 8.3370 121.9988 55.2719 18.3806 179.8848 33 V 3.5536 8.2371 117.1498 66.4545 31.5903 177.9453 34 H 4.2541 8.4659 115.8405 58.8118 28.6692 177.6390 35 A 4.0357 8.2471 122.4287 55.0539 17.9966 179.4569 36 A 3.9714 7.9821 118.2999 55.6000 18.8164 180.0668 37 V 3.7569 7.8269 110.4073 64.3449 31.4003 178.8272 38 L 3.9307 8.0342 117.7788 57.0465 41.4747 178.5270 39 A 4.3074 7.6899 118.5418 51.9187 19.1226 176.9218 40 A 4.3589 7.8700 121.6463 51.6628 19.3707 176.4365 41 P 3.4190 0.0000 0.0000 64.4083 32.5032 176.8450 42 G 3.9859 8.5253 110.0456 46.6874 0.0000 173.9069 43 F 4.6222 8.2072 117.1909 57.1275 39.8057 176.5999 44 N 4.4179 7.7600 120.6327 52.4795 38.1403 174.8674 45 W 4.3054 8.6766 126.3542 59.2026 28.2079 178.2556 46 I 3.6071 6.5982 120.1994 64.0751 36.5964 177.9476 47 A 3.9046 7.6193 121.0868 55.0839 18.2799 179.2772 48 L 4.0039 8.0884 117.7558 58.1663 41.5907 180.1889 49 G 3.6073 8.1626 105.1124 47.6239 0.0000 175.7128 50 A 4.0098 8.0190 122.9494 54.7029 18.3784 179.6056 51 A 3.8651 8.2406 119.5460 55.3430 18.3320 179.6398 52 K 3.9342 7.9511 116.7044 59.9743 31.8899 178.7745 53 S 4.2695 7.9692 115.2844 61.4178 62.5458 176.4743 54 A 4.0470 7.8247 122.5188 54.9572 18.1932 179.3017 55 A 4.0841 8.3677 118.7885 54.6147 18.4881 178.2340 56 K 4.2407 7.4470 120.2383 56.8198 32.3647 176.7418 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 1 S 8.19 4.43 0.00 3.91 3.92 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 2 N 8.27 4.99 0.00 2.75 2.88 0.00 0.00 7.12 7.45 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 3 P 0.00 5.51 0.00 2.25 2.28 0.00 3.89 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 2.09 1.92 0.00 4 K 8.22 3.84 0.00 1.77 2.21 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.53 7.81 5 D 8.73 4.89 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.20 4.28 0.00 2.95 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.25 4.40 0.00 3.37 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 8 K 6.63 3.58 0.00 1.59 1.61 0.00 1.45 0.00 0.00 1.39 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.88 0.40 7.81 9 I 7.34 3.31 1.38 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.73 -0.58 0.00 0.00 10 W 7.16 5.13 0.00 3.43 3.25 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 11 L 7.97 4.43 0.00 1.69 1.73 0.93 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 12 V 7.46 4.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.82 0.00 0.00 13 I 7.49 4.50 1.87 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.84 0.67 0.00 0.00 14 N 8.99 4.95 0.00 2.89 2.88 0.00 0.00 6.95 7.75 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 15 P 0.00 4.35 0.00 1.97 1.62 0.00 3.89 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 16 S 8.02 4.09 0.00 3.97 3.90 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 0.00 0.00 0.00 17 T 7.66 3.98 3.92 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 0.20 0.00 0.00 18 W 7.80 4.62 0.00 3.53 3.26 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 0.00 19 L 7.77 3.68 0.00 1.54 1.18 0.68 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 3.83 0.00 2.09 2.06 0.00 3.63 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.83 0.00 21 V 7.64 3.68 2.50 0.00 0.00 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 0.83 0.00 0.00 22 I 8.11 3.86 1.97 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.42 1.14 0.00 0.00 23 W 7.79 4.54 0.00 3.64 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.18 3.79 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.25 0.98 0.00 0.00 25 V 8.21 3.65 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.05 0.00 0.00 26 A 8.08 4.11 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.03 3.90 4.45 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 1.23 0.00 0.00 28 V 7.96 3.61 2.27 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 1.12 0.00 0.00 1.02 0.00 0.00 29 V 7.96 3.58 2.27 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 1.05 0.00 0.00 1.00 0.00 0.00 30 A 8.11 4.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.69 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.76 0.94 0.00 0.00 32 A 8.34 4.01 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 33 V 8.24 3.55 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.98 0.00 0.00 34 H 8.47 4.25 0.00 3.52 3.59 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.25 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.98 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 37 V 7.83 3.76 1.88 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 0.91 0.00 0.00 1.33 0.00 0.00 38 L 8.03 3.93 0.00 1.72 1.56 0.75 -0.61 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 39 A 7.69 4.31 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.87 4.36 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.42 0.00 2.25 1.84 0.00 3.64 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 42 G 8.53 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 43 F 8.21 4.62 0.00 3.16 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 44 N 7.76 4.42 0.00 2.81 2.66 0.00 0.00 6.44 7.56 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 45 W 8.68 4.31 0.00 3.67 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 6.60 3.61 1.50 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 -0.36 0.82 0.00 0.00 47 A 7.62 3.90 1.28 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 48 L 8.09 4.00 0.00 1.94 1.78 0.90 0.80 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 49 G 8.16 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.01 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 51 A 8.24 3.87 1.36 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 0.00 0.00 52 K 7.95 3.93 0.00 1.77 2.02 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 53 S 7.97 4.27 0.00 4.02 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.82 4.05 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 55 A 8.37 4.08 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 56 K 7.45 4.24 0.00 1.97 1.73 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.66 7.81