NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 N 4.6655 8.4244 119.2071 52.3716 40.5777 174.4351 10 N 4.7369 7.4401 117.4283 52.4479 38.9550 171.6054 11 S 4.7396 7.2885 116.5259 55.7315 65.8706 172.5946 12 S 4.2868 8.4348 119.7426 59.4604 62.7931 173.9551 13 S 3.4069 9.5223 117.4854 59.2167 59.7237 165.2151 14 E 3.9969 8.3159 126.7545 55.1670 32.2922 173.5272 15 G 4.2303 8.2191 120.9053 45.7817 0.0000 176.1714 16 N 4.8107 8.4896 120.3797 51.1690 38.0532 172.2849 17 E 4.7114 8.1477 120.1708 55.1137 34.3903 176.8240 18 G 4.2448 8.3123 111.0305 44.9492 0.0000 172.8193 19 V 4.3945 7.3007 117.2374 60.9347 34.2888 175.2896 20 I 3.8894 8.5210 128.2294 64.4474 37.2943 177.0495 21 I 3.8391 7.5010 119.6890 60.7172 37.5050 175.3368 22 N 4.3566 8.8861 123.3443 53.9263 39.1379 173.6061 23 N 4.1152 8.5470 123.3954 52.7938 40.3308 174.0694 24 F 4.0604 8.9728 127.4723 61.3258 39.7143 175.3297 25 Y 4.4190 7.7677 115.8428 57.2469 38.9107 174.8485 26 S 4.7827 8.3940 116.9720 57.3653 64.7624 175.2632 27 N 4.1164 8.9500 120.7194 57.0759 38.0358 177.1654 28 Q 4.0361 8.1803 118.5899 58.1928 29.2839 176.4472 29 Y 4.2560 8.8641 117.4740 59.8703 39.2279 177.2602 30 Q 4.2048 8.2496 118.9143 57.0906 29.5392 174.7480 31 N 5.0982 7.6796 115.4044 50.8172 42.1101 174.9582 32 S 4.3887 8.1571 114.4893 58.5398 63.8331 174.6405 33 I 4.4153 7.8999 122.3026 60.0950 38.5587 174.1190 34 D 4.4051 8.5879 125.2163 54.1582 41.1874 176.0494 35 L 4.8578 8.2785 124.5092 53.1058 45.3645 175.0004 36 S 4.6935 8.3542 114.8146 56.2182 65.5251 172.8654 37 A 4.7145 8.3081 127.4183 50.1472 21.7384 175.1358 38 N 4.5985 8.5708 119.9870 52.2116 39.7516 175.5990 39 A 4.0284 8.8347 129.1405 55.7351 18.4176 178.2025 40 T 4.0568 7.6921 109.7314 63.7434 69.0125 174.1871 41 G 3.9312 8.4430 107.7083 44.7134 0.0000 173.4870 42 S 4.5394 8.0386 113.9081 56.7631 66.4467 174.0054 43 D 4.5361 8.7095 126.1430 52.9947 41.2440 174.7549 44 P 4.3480 0.0000 0.0000 61.6553 32.1157 174.5859 45 P 4.2618 0.0000 0.0000 63.3896 30.5344 178.4898 46 K 4.4834 7.3123 123.5139 59.1402 34.1123 175.9426 47 T 4.3236 7.9532 113.1582 61.5051 70.4296 172.5481 48 Y 4.3698 8.6308 125.3659 57.8069 38.5165 175.1633 49 G 4.0004 6.9614 106.2449 46.4975 0.0000 173.4762 50 Q 4.5158 8.8016 119.0534 55.6160 28.8630 175.1887 51 F 4.7571 7.9495 120.5575 57.1228 40.5354 175.0299 52 S 4.0786 7.0614 118.4159 57.6304 64.8606 174.5708 53 N 4.7400 8.2479 119.4826 51.6827 40.2069 174.5229 54 L 4.7254 8.0961 120.3135 52.6989 45.1029 175.7546 55 L 4.5370 8.4170 123.2650 53.3308 43.6884 175.9110 56 S 4.6192 8.4141 120.1884 56.8394 65.7155 174.5189 57 G 3.8557 7.5544 104.8652 47.1157 0.0000 177.1425 58 A 3.8214 7.3036 122.6823 54.2913 19.9897 178.3308 59 V 4.4475 6.7438 114.6124 61.2254 31.3921 174.6313 60 N 4.2205 8.6280 115.4472 54.3248 41.1360 170.6307 61 A 3.4800 8.4367 124.9710 55.4689 15.2793 176.7213 62 F 4.4994 8.8360 122.6818 58.7270 40.2692 173.8788 63 S 4.5297 8.5081 120.8184 58.9381 66.9332 176.1878 64 N 4.5448 8.6598 118.1565 53.1097 37.2894 174.6896 65 M 3.7297 9.0704 123.6727 57.0288 33.0928 176.9279 66 L 3.7901 7.9011 122.8384 55.8439 39.9258 175.7044 67 P 4.2946 0.0000 0.0000 64.3076 31.2643 175.6082 68 L 3.9764 7.9010 118.0100 55.4288 41.6271 178.6127 69 L 2.6569 7.5807 119.2077 52.7262 44.3981 176.3433 70 A 4.0740 9.1299 122.1558 52.3326 18.4671 178.5086 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 9 N 8.42 4.67 0.00 2.71 2.88 0.00 0.00 6.82 6.91 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 10 N 7.44 4.74 0.00 2.81 2.71 0.00 0.00 7.00 6.75 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 11 S 7.29 4.74 0.00 3.88 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 4.29 0.00 3.87 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.52 3.41 0.00 3.97 3.80 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 0.00 0.00 0.00 14 E 8.32 4.00 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 15 G 8.22 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.49 4.81 0.00 2.67 2.74 0.00 0.00 6.62 7.65 0.00 0.00 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 E 8.15 4.71 0.00 1.97 1.81 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 2.24 2.31 0.00 18 G 8.31 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 19 V 7.30 4.39 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 0.96 0.00 0.00 0.94 0.00 0.00 20 I 8.52 3.89 1.88 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 1.42 0.53 0.92 0.00 0.00 21 I 7.50 3.84 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.49 0.96 0.00 0.00 22 N 8.89 4.36 0.00 2.67 2.76 0.00 0.00 6.98 7.79 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 23 N 8.55 4.12 0.00 2.78 2.95 0.00 0.00 7.18 7.02 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 24 F 8.97 4.06 0.00 2.80 2.56 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 0.00 0.00 0.00 0.00 25 Y 7.77 4.42 0.00 3.11 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 26 S 8.39 4.78 0.00 4.11 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.95 4.12 0.00 2.80 2.95 0.00 0.00 6.61 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.18 4.04 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.06 2.31 0.00 29 Y 8.86 4.26 0.00 3.03 3.06 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 0.00 0.00 0.00 30 Q 8.25 4.20 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 31 N 7.68 5.10 0.00 2.88 2.71 0.00 0.00 7.05 7.17 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 32 S 8.16 4.39 0.00 3.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 4.42 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.89 0.00 0.00 34 D 8.59 4.41 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.86 0.00 1.65 1.49 0.91 0.86 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 S 8.35 4.69 0.00 3.80 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.71 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 38 N 8.57 4.60 0.00 2.81 2.87 0.00 0.00 7.01 8.54 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 39 A 8.83 4.03 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.69 4.06 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 41 G 8.44 3.93 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 0.00 0.00 0.00 42 S 8.04 4.54 0.00 3.82 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.71 4.54 0.00 2.66 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 44 P 0.00 4.35 0.00 2.10 2.13 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 45 P 0.00 4.26 0.00 2.05 2.18 0.00 3.41 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 46 K 7.31 4.48 0.00 1.85 1.90 0.00 1.49 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.38 7.81 47 T 7.95 4.32 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 1.16 0.00 0.00 48 Y 8.63 4.37 0.00 3.08 2.99 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 49 G 6.96 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 0.00 0.00 0.00 50 Q 8.80 4.52 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 51 F 7.95 4.76 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.06 4.08 0.00 3.80 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.25 4.74 0.00 2.62 2.70 0.00 0.00 6.75 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.10 4.73 0.00 1.50 1.49 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.42 4.54 0.00 1.52 1.52 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.41 4.62 0.00 4.00 3.94 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 57 G 7.55 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 0.00 0.00 0.00 58 A 7.30 3.82 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 59 V 6.74 4.45 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 0.72 0.00 0.00 0.93 0.00 0.00 60 N 8.63 4.22 0.00 2.64 2.68 0.00 0.00 6.89 7.96 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 61 A 8.44 3.48 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 62 F 8.84 4.50 0.00 2.96 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 63 S 8.51 4.53 0.00 3.80 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 64 N 8.66 4.54 0.00 2.74 2.77 0.00 0.00 6.72 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 M 9.07 3.73 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.70 0.00 66 L 7.90 3.79 0.00 1.79 1.91 0.93 1.08 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 67 P 0.00 4.29 0.00 2.04 2.12 0.00 3.62 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 68 L 7.90 3.98 0.00 1.67 1.69 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.58 2.66 0.00 1.61 1.44 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 9.13 4.07 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