NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4856 8.2893 120.3258 54.4330 34.2227 175.5390 2 I 4.3615 7.5356 110.9031 58.6566 39.8568 174.6656 3 S 4.5223 8.6221 122.0075 57.0321 62.3107 173.7057 4 D 4.7276 7.6664 121.2354 51.8871 44.5906 174.8774 5 E 4.1595 8.7101 123.8701 56.4496 29.2928 176.2493 6 Q 4.5739 8.4407 124.7595 55.9249 29.8036 176.3264 7 L 4.3877 7.8765 113.2608 55.0537 41.0179 177.9568 8 N 4.4476 8.1178 120.0688 56.8107 39.0258 176.7970 9 S 4.2051 7.9874 116.0205 60.7526 62.9105 176.3055 10 L 4.1103 7.8724 123.0576 57.8039 41.5733 177.8383 11 A 4.6329 7.6709 117.6296 53.5041 18.2943 178.8460 12 I 3.9638 7.4883 118.6172 63.7286 37.7651 177.4359 13 T 3.8311 7.2491 111.3898 65.6562 67.3825 175.2487 14 F 4.2482 8.5064 121.9204 60.9150 39.2706 176.9567 15 G 3.6394 8.2721 106.1074 45.5013 0.0000 175.8857 16 I 3.7251 7.6195 114.7868 63.9389 37.2900 178.6351 17 V 3.7635 7.5199 115.1262 63.6416 31.4582 177.9812 18 M 3.7949 8.0075 118.4260 58.7183 31.6247 178.2139 19 M 3.9974 8.0308 118.9910 57.9808 32.1851 178.4625 20 T 4.1278 7.4942 108.5770 64.0556 69.2892 177.0084 21 L 4.0097 7.5444 121.9526 57.0885 41.5660 179.1916 22 I 3.6449 7.8550 119.2074 64.0504 38.0870 177.9442 23 V 3.8273 7.4906 116.9444 65.0196 31.4795 177.7671 24 I 3.9300 7.3767 118.4447 64.2035 37.1941 177.6212 25 Y 4.3133 8.5369 118.0176 61.2358 37.8234 177.3170 26 H 4.2925 8.3084 117.2600 57.2667 30.2399 175.5252 27 A 4.3475 7.2928 118.7368 54.7709 19.5958 179.0945 28 V 3.8571 7.6762 107.9575 64.2094 32.2217 177.4385 29 D 4.2735 8.0759 117.8461 57.1628 41.1683 176.8058 30 S 4.3257 7.6697 111.6096 57.8587 63.0067 174.5689 31 T 4.2254 8.0450 115.1021 61.4437 66.5208 173.3197 32 M 4.7700 7.7065 128.1926 53.7093 36.3195 175.9442 33 S 4.2823 8.4502 115.2714 57.4055 62.1361 172.3050 34 P 4.6679 0.0000 0.0000 61.1223 32.6386 176.4184 35 K 3.8091 8.8294 117.9622 59.1058 32.3980 176.6145 36 N 4.4440 8.1142 119.9942 53.5058 38.6420 173.6857 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 8.29 4.49 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 2 I 7.54 4.36 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 0.78 0.91 0.00 0.00 3 S 8.62 4.52 0.00 3.87 3.86 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 0.00 0.00 0.00 4 D 7.67 4.73 0.00 2.56 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.71 4.16 0.00 1.99 1.89 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 2.29 2.28 0.00 6 Q 8.44 4.57 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 7.10 0.00 0.00 0.00 0.00 0.00 2.52 2.27 0.00 7 L 7.88 4.39 0.00 1.65 1.59 0.85 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.12 4.45 0.00 2.75 2.82 0.00 0.00 7.14 8.35 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 9 S 7.99 4.21 0.00 3.87 3.91 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 10 L 7.87 4.11 0.00 1.66 1.70 0.72 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.67 4.63 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.49 3.96 1.90 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 1.42 0.72 0.93 0.00 0.00 13 T 7.25 3.83 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 14 F 8.51 4.25 0.00 3.09 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.27 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 3.73 1.84 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 1.62 1.05 0.88 0.00 0.00 17 V 7.52 3.76 1.99 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 0.85 0.00 0.00 0.95 0.00 0.00 18 M 8.01 3.79 0.00 1.71 1.48 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 19 M 8.03 4.00 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 20 T 7.49 4.13 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 21 L 7.54 4.01 0.00 1.45 1.38 0.74 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.86 3.64 1.79 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 1.38 1.24 0.90 0.00 0.00 23 V 7.49 3.83 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.92 0.00 0.00 24 I 7.38 3.93 2.14 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 1.54 0.91 1.01 0.00 0.00 25 Y 8.54 4.31 0.00 2.97 2.97 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 26 H 8.31 4.29 0.00 3.25 3.38 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.29 4.35 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 28 V 7.68 3.86 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.79 0.00 0.00 29 D 8.08 4.27 0.00 2.61 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 30 S 7.67 4.33 0.00 3.82 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 31 T 8.05 4.23 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 1.19 0.00 0.00 32 M 7.71 4.77 0.00 1.95 2.28 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 33 S 8.45 4.28 0.00 3.97 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 34 P 0.00 4.67 0.00 2.19 2.09 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 35 K 8.83 3.81 0.00 1.86 2.01 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.55 7.81 36 N 8.11 4.44 0.00 2.80 2.88 0.00 0.00 6.72 7.54 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