NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4503 8.3049 120.3261 54.9505 33.4245 175.0676 2 K 4.1520 8.3649 121.1449 55.5829 33.1047 174.9715 3 I 4.5812 7.7546 121.7852 59.2377 40.8705 175.8374 4 S 4.1381 8.9736 120.2101 60.9825 63.0534 174.7857 5 G 3.8110 8.1556 109.4597 45.9108 0.0000 173.2571 6 R 3.9391 8.6216 124.8056 58.2676 30.6311 176.2731 7 N 4.7092 8.1102 116.0136 51.9656 39.4988 174.5055 8 K 4.6886 8.5183 124.1437 54.6901 34.0415 176.3973 9 L 4.1410 8.7210 126.9319 52.5536 43.3376 175.9988 10 E 4.6947 8.8873 124.3404 56.2022 29.9115 175.9107 11 A 5.1161 9.1599 126.6157 50.4307 23.6722 174.0035 12 T 4.9862 8.6025 114.1262 61.7121 72.0960 174.4681 13 V 3.9454 8.8352 126.9439 63.2362 32.0728 176.3088 14 K 4.3966 9.1741 127.3853 57.9169 33.8173 176.3548 15 E 4.7900 7.7413 118.0105 55.0704 33.2576 173.9535 16 I 5.0768 8.2619 124.6366 59.5384 40.9221 174.7109 17 V 4.3624 8.8266 126.9158 61.0232 34.0221 174.0842 18 K 4.6824 8.8233 127.5753 55.1111 33.5433 176.5497 19 G 4.2365 8.5939 116.1815 44.5249 0.0000 172.9327 20 T 4.0690 8.5277 114.8983 65.8393 69.0841 175.2112 21 V 4.2534 7.8872 118.8500 64.1315 34.4293 175.6689 22 M 5.1325 7.9548 118.1889 53.8241 35.2399 174.8125 23 A 5.0890 9.0429 121.2967 50.2733 23.1238 175.0144 24 K 4.6992 9.2094 124.0409 55.3893 34.1122 175.3340 25 I 4.7059 8.9098 129.1749 59.7500 39.4388 174.6237 26 V 4.6721 8.7410 128.7452 61.8474 33.0823 174.7616 27 M 5.2954 9.1377 126.7042 53.6256 36.8035 173.5171 28 D 5.2495 9.0823 120.9855 52.9331 43.6676 174.5114 29 Y 4.9421 9.0426 127.0544 55.5050 41.4383 175.2446 30 K 3.6483 9.6841 128.5451 57.2862 29.8116 176.4891 31 G 3.9471 8.2738 105.0841 45.5457 0.0000 174.0029 32 T 4.6158 7.7539 116.5730 61.2782 71.2669 172.7397 33 E 4.7982 8.6825 126.4028 55.9714 30.5653 175.5044 34 L 4.9427 9.1586 126.3357 52.9930 45.4528 175.6570 35 V 4.8260 8.2723 120.1585 61.3505 34.2017 174.2740 36 A 4.8693 9.0050 129.3101 50.0340 22.2576 175.1019 37 A 5.1566 8.6177 121.9049 50.3143 21.0615 175.1350 38 I 4.6959 8.2466 114.6655 59.5548 41.8011 175.3025 39 T 4.5490 8.2644 111.7609 61.0322 69.6739 175.7819 40 I 3.7679 8.4915 117.6880 64.1874 37.3602 178.2162 41 D 4.3730 7.5652 117.9228 57.5188 40.5723 178.9875 42 S 4.1083 7.9293 115.2999 61.4136 62.8271 176.7079 43 V 3.5682 7.8313 120.3110 66.0658 31.0980 177.8589 44 A 3.9785 8.0153 120.4140 55.0827 18.0195 179.1387 45 D 4.2732 8.1872 115.8927 57.3997 41.5032 177.9058 46 L 4.1927 8.2286 116.8576 54.4214 42.3373 176.2531 47 D 4.3997 7.6759 118.0331 54.9297 38.9780 174.2821 48 L 4.3509 7.7093 118.1622 55.0933 42.5307 177.6568 49 V 4.5534 8.8873 115.4876 58.7934 35.9527 172.7391 50 P 4.5235 0.0000 0.0000 64.6528 31.5479 176.8104 51 G 4.0409 9.2147 110.9940 45.2439 0.0000 173.8356 52 D 4.4709 7.8197 120.3312 54.5436 41.9406 175.8703 53 K 4.7236 8.6138 122.9450 56.0213 32.9806 176.4422 54 V 4.6097 8.8904 117.7007 59.9860 36.8395 174.3387 55 T 4.9248 8.3552 117.4346 61.8406 70.4878 174.2256 56 A 4.3024 8.9770 129.7251 51.2065 20.0715 175.6443 57 L 5.1413 8.4327 123.9554 53.1260 44.9785 175.6669 58 V 4.4304 8.6214 125.5088 60.6355 34.7892 174.8265 59 K 4.2544 8.7094 128.5793 55.9751 33.0442 177.2167 60 A 3.9861 8.7483 128.4169 55.6263 18.3920 179.4817 61 T 4.1337 7.8608 103.1275 63.3357 69.0719 174.6477 62 E 4.4679 8.1499 121.1931 56.1355 29.8352 174.8434 63 M 4.5005 7.6475 119.6074 53.7113 33.4067 175.5498 64 E 4.4298 8.5479 125.6293 55.4564 31.0482 175.7771 65 V 4.4382 8.0702 119.2513 61.0169 34.0914 174.6995 66 L 4.8575 8.3869 125.9756 52.9809 44.5364 176.3320 67 K 4.1148 8.3338 121.7891 56.8691 32.2381 175.6203 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 M 8.30 4.45 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 K 8.36 4.15 0.00 1.82 1.73 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.52 7.81 3 I 7.75 4.58 1.86 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 0.74 0.93 0.00 0.00 4 S 8.97 4.14 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.16 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.62 3.94 0.00 1.81 2.00 0.00 3.36 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 7 N 8.11 4.71 0.00 2.81 2.73 0.00 0.00 6.74 8.09 0.00 0.00 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 8.52 4.69 0.00 1.59 1.88 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.48 7.81 9 L 8.72 4.14 0.00 0.90 0.13 0.62 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.89 4.69 0.00 1.96 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 2.37 2.31 0.00 11 A 9.16 5.12 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.60 4.99 4.27 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 1.31 0.00 0.00 13 V 8.84 3.95 2.22 0.00 0.00 0.00 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 14 K 9.17 4.40 0.00 1.72 1.83 0.00 1.79 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.45 7.81 15 E 7.74 4.79 0.00 2.01 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 16 I 8.26 5.08 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 1.23 0.78 0.91 0.00 0.00 17 V 8.83 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 0.98 0.00 0.00 0.93 0.00 0.00 18 K 8.82 4.68 0.00 1.67 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.42 7.81 19 G 8.59 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 0.00 0.00 0.00 0.00 20 T 8.53 4.07 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 21 V 7.89 4.25 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 1.09 0.00 0.00 0.93 0.00 0.00 22 M 7.95 5.13 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 23 A 9.04 5.09 1.16 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 0.00 0.00 24 K 9.21 4.70 0.00 1.81 1.69 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.41 7.81 25 I 8.91 4.71 1.86 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 1.11 0.84 0.91 0.00 0.00 26 V 8.74 4.67 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.93 0.00 0.00 27 M 9.14 5.30 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 28 D 9.08 5.25 0.00 2.70 2.54 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 29 Y 9.04 4.94 0.00 2.97 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.68 3.65 0.00 1.22 1.55 0.00 1.38 0.00 0.00 1.49 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.12 0.70 7.81 31 G 8.27 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.75 4.62 4.40 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 1.26 0.00 0.00 33 E 8.68 4.80 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 34 L 9.16 4.94 0.00 1.57 1.51 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.27 4.83 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 0.79 0.00 0.00 0.94 0.00 0.00 36 A 9.01 4.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.62 5.16 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.25 4.70 1.86 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 1.28 1.03 0.90 0.00 0.00 39 T 8.26 4.55 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 40 I 8.49 3.77 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 1.72 0.63 0.95 0.00 0.00 41 D 7.57 4.37 0.00 2.77 2.76 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 42 S 7.93 4.11 0.00 4.07 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 43 V 7.83 3.57 2.23 0.00 0.00 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 0.93 0.00 0.00 44 A 8.02 3.98 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 45 D 8.19 4.27 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 4.19 0.00 1.75 1.69 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.68 4.40 0.00 2.74 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 48 L 7.71 4.35 0.00 1.66 1.61 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.89 4.55 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 0.84 0.00 0.00 1.03 0.00 0.00 50 P 0.00 4.52 0.00 2.04 2.15 0.00 3.66 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 2.03 2.10 0.00 51 G 9.21 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.82 4.47 0.00 2.73 2.61 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 53 K 8.61 4.72 0.00 1.65 1.77 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.42 7.81 54 V 8.89 4.61 2.07 0.00 0.00 0.00 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 55 T 8.36 4.92 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 56 A 8.98 4.30 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.43 5.14 0.00 1.57 1.49 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.62 4.43 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 0.87 0.00 0.00 0.88 0.00 0.00 59 K 8.71 4.25 0.00 1.82 1.65 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.43 7.81 60 A 8.75 3.99 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 61 T 7.86 4.13 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 62 E 8.15 4.47 0.00 2.04 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 2.24 2.35 0.00 63 M 7.65 4.50 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 64 E 8.55 4.43 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 65 V 8.07 4.44 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 0.93 0.00 0.00 66 L 8.39 4.86 0.00 1.63 1.52 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.33 4.11 0.00 1.65 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.43 7.81