NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3024 8.1127 119.7059 56.0598 31.5999 173.6461 5 E 4.7900 8.1909 119.3362 53.1975 32.5375 173.6008 6 C 4.3143 9.7409 127.3234 59.5985 32.1469 173.4734 7 D 4.3472 8.3646 126.0601 55.9215 39.9831 176.0732 8 Y 4.4872 7.7712 118.1965 58.6956 41.4261 176.3282 9 C 3.9232 7.9924 114.3045 58.9061 30.7575 175.4398 10 G 3.8964 8.3394 107.8289 45.0485 0.0000 173.5855 11 T 4.3536 7.6408 109.6518 61.2732 70.5536 173.4974 12 D 4.9090 8.5052 122.4966 54.4428 41.6806 176.2410 13 I 4.1282 8.3174 124.9119 60.0819 37.7464 175.7107 14 E 3.9054 8.9806 128.9485 55.5135 29.8052 174.7590 15 P 4.2441 0.0000 0.0000 64.4262 31.5463 175.7395 16 G 3.9017 9.3026 107.0494 46.5094 0.0000 173.3432 17 T 4.4232 7.9538 112.8711 62.9243 72.4354 174.0648 18 G 4.1038 9.2812 109.1677 45.4251 0.0000 172.6324 19 T 4.7890 8.7560 113.9797 61.7612 72.8089 173.1381 20 M 4.9727 8.7507 124.4595 53.9249 34.1360 174.4829 21 F 4.8621 9.3948 129.7353 57.1247 41.4639 174.4182 22 V 4.2639 7.6022 126.0499 61.4819 32.3341 175.3782 23 H 4.1427 8.9719 125.9638 54.8370 29.5775 176.5096 24 K 3.8220 8.8159 122.5067 59.8266 31.8106 177.9752 25 D 4.3876 7.9741 115.6426 54.5104 39.3782 176.8294 26 G 3.9591 8.0298 107.0304 44.8496 0.0000 173.9633 27 A 4.2402 9.7646 122.7736 52.5373 19.6588 176.5946 28 T 5.0646 8.3840 115.3680 62.1238 72.0279 174.2370 29 T 4.6509 8.7341 121.1149 62.3189 72.6430 172.6401 30 H 5.0608 10.0124 125.3939 55.1370 30.2951 174.8112 31 F 5.2622 9.8744 122.9311 55.9357 41.4412 176.5067 32 C 4.3162 9.0958 116.4467 60.3133 30.4129 173.6866 33 S 4.6351 7.6607 114.0501 56.2346 66.6061 174.9601 34 S 4.6459 8.4609 117.6223 60.5203 62.7833 176.2979 35 K 3.8589 7.9309 123.1901 59.6646 31.9055 178.2265 36 C 4.3005 7.9462 116.3155 62.7658 28.2984 175.5944 37 E 2.6822 7.6650 119.8795 59.5533 28.5445 179.6374 38 N 4.2031 8.1212 116.0943 56.4746 38.4481 177.3374 39 N 4.4336 8.0611 117.6261 55.9604 37.8355 177.4151 40 A 4.1853 7.8352 122.5473 55.4783 18.3868 179.3441 41 D 5.0341 7.9662 116.1095 57.3230 40.9410 178.5486 42 L 4.3112 7.3076 116.5503 54.9978 41.8231 177.7259 43 G 3.9515 9.3558 107.5506 45.6120 0.0000 173.9262 44 R 4.3988 7.5314 117.9726 55.2053 31.2802 175.6665 45 E 4.6217 8.4659 119.4658 54.3380 31.6254 176.9602 46 A 3.3832 8.2120 126.8401 55.2759 18.3958 179.7042 47 R 3.7911 7.6902 113.4337 59.1058 30.1778 177.2343 48 N 4.4995 8.2535 113.1219 53.2986 39.1294 174.7832 49 L 4.4753 7.2335 120.0126 52.7231 41.9209 177.1795 50 E 4.0163 8.7807 124.7100 58.3915 29.5723 178.5256 51 W 4.4879 7.6067 114.4023 58.0921 29.1769 176.9483 52 T 3.6210 6.8633 117.6569 63.0944 68.2301 175.0475 53 D 4.3271 8.6953 126.0136 57.8509 41.1668 178.0886 54 T 3.8342 7.9535 115.2240 66.6580 68.5591 175.3836 55 A 3.9882 7.7026 122.3795 55.0772 18.6763 177.5327 56 R 4.0906 7.7980 118.6165 56.5805 30.0889 176.3546 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 4 R 8.11 4.30 0.00 1.89 1.90 0.00 3.03 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 5 E 8.19 4.79 0.00 1.94 1.75 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 2.17 2.41 0.00 6 C 9.74 4.31 0.00 3.06 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 7 D 8.36 4.35 0.00 2.57 2.64 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 8 Y 7.77 4.49 0.00 2.72 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.99 3.92 0.00 3.02 3.29 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 10 G 8.34 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 0.00 0.00 0.00 11 T 7.64 4.35 4.29 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 1.32 0.00 0.00 12 D 8.51 4.91 0.00 2.61 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.32 4.13 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.60 0.97 0.00 0.00 14 E 8.98 3.91 0.00 1.93 1.92 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 2.32 2.40 0.00 15 P 0.00 4.24 0.00 2.23 2.08 0.00 3.94 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 16 G 9.30 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 0.00 0.00 0.00 17 T 7.95 4.42 4.55 0.00 0.00 0.00 0.00 0.00 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 18 G 9.28 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.76 4.79 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 1.28 0.00 0.00 20 M 8.75 4.97 0.00 1.97 1.81 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 2.05 2.41 0.00 21 F 9.39 4.86 0.00 3.27 3.21 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 22 V 7.60 4.26 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 0.73 0.00 0.00 0.84 0.00 0.00 23 H 8.97 4.14 0.00 3.32 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.82 3.82 0.00 1.74 1.88 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 25 D 7.97 4.39 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.03 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.76 4.24 1.20 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 0.00 0.00 0.00 28 T 8.38 5.06 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 1.22 0.00 0.00 29 T 8.73 4.65 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 30 H 10.01 5.06 0.00 3.05 3.28 0.00 5.76 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.87 5.26 0.00 2.94 3.07 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 0.00 0.00 0.00 0.00 32 C 9.10 4.32 0.00 3.17 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 33 S 7.66 4.64 0.00 4.05 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 34 S 8.46 4.65 0.00 3.98 4.10 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 0.00 0.00 0.00 0.00 35 K 7.93 3.86 0.00 1.76 1.83 0.00 1.40 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.38 1.33 7.81 36 C 7.95 4.30 0.00 3.41 3.17 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 0.00 0.00 0.00 0.00 37 E 7.66 2.68 0.00 1.64 1.27 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 1.47 2.25 0.00 38 N 8.12 4.20 0.00 2.70 2.79 0.00 0.00 7.15 6.89 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 39 N 8.06 4.43 0.00 3.12 3.15 0.00 0.00 6.88 7.07 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 40 A 7.84 4.19 1.22 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 0.00 0.00 0.00 41 D 7.97 5.03 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.31 4.31 0.00 1.88 1.74 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 43 G 9.36 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 44 R 7.53 4.40 0.00 2.07 1.98 0.00 3.26 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 45 E 8.47 4.62 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 46 A 8.21 3.38 0.37 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 47 R 7.69 3.79 0.00 1.72 1.92 0.00 3.13 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 48 N 8.25 4.50 0.00 2.74 2.83 0.00 0.00 6.93 7.41 0.00 0.00 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 L 7.23 4.48 0.00 1.21 0.94 1.21 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.78 4.02 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 51 W 7.61 4.49 0.00 3.59 3.24 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 52 T 6.86 3.62 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 0.93 0.00 0.00 53 D 8.70 4.33 0.00 2.79 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 54 T 7.95 3.83 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 1.05 0.00 0.00 55 A 7.70 3.99 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 56 R 7.80 4.09 0.00 2.01 1.83 0.00 3.21 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00