NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4329 8.3044 120.3282 54.5608 33.4382 174.6270 2 K 3.8398 8.4491 122.1039 56.2317 32.6553 175.3069 3 R 4.5721 8.0687 125.3889 54.5350 33.2597 175.8361 4 T 3.9340 8.5577 108.4193 64.4324 68.6068 174.3158 5 W 4.7884 8.1325 132.4167 56.2334 31.0395 175.9333 6 Q 4.1934 7.3837 125.3556 52.1444 28.5329 171.9855 7 P 3.1017 0.0000 0.0000 62.4210 32.0784 177.1349 8 N 4.5229 8.1743 119.8231 51.5311 41.2673 174.8277 9 R 3.9276 8.6574 128.2218 59.3927 30.2652 178.7150 10 R 3.8695 7.9669 117.7340 59.5313 30.0934 177.6940 11 K 3.7576 8.1198 118.6144 59.7654 32.0010 177.8855 12 R 4.0180 8.3496 118.4005 59.7661 29.9299 178.4111 13 A 4.0393 8.1879 120.0417 55.2555 18.2456 179.8050 14 K 3.9306 8.2737 116.1562 59.6027 32.0896 179.5827 15 T 4.1006 8.2542 115.6820 66.2538 68.7193 175.5785 16 H 4.8495 7.9274 114.1555 55.1929 29.4479 175.2730 17 G 3.8904 8.1385 110.0568 45.3405 0.0000 174.7492 18 F 4.0485 9.0594 122.9993 61.2690 39.7127 177.5323 19 R 4.0444 8.2263 116.7007 59.2198 29.9838 178.4794 20 A 3.9467 7.9967 119.7984 55.5727 18.4037 179.5004 21 R 3.8263 8.2129 116.6524 60.0024 29.8515 179.1721 22 M 3.9744 7.3507 117.0429 57.9543 31.9408 178.6857 23 R 3.9691 7.6728 117.8312 58.2972 30.8430 177.1315 24 T 4.3798 7.2016 112.7271 60.2169 68.8092 173.5668 25 P 4.3335 0.0000 0.0000 65.8247 31.3379 179.0890 26 G 3.6909 8.0441 105.3586 47.5294 0.0000 176.0084 27 G 3.8301 7.7608 108.9564 47.1232 0.0000 175.6797 28 R 3.9006 8.2049 120.9481 59.0858 29.3296 179.2789 29 K 3.9556 8.0278 118.0641 59.2434 32.0351 179.2790 30 V 3.7052 7.4557 118.1913 66.1324 31.3514 177.7773 31 L 3.9530 7.8401 118.3301 57.8577 41.4613 179.2257 32 K 3.8212 8.3183 119.5043 59.6977 32.1251 178.2088 33 R 3.8961 9.2983 118.9428 60.1046 29.9106 178.1503 34 R 3.9356 8.5716 117.8023 58.9601 29.8425 178.8599 35 R 3.9114 8.0868 117.9312 59.7229 30.3640 178.1244 36 Q 4.1318 8.1176 117.8876 59.5198 29.0429 178.6648 37 K 4.1640 7.8203 118.8762 58.6923 32.2358 177.4924 38 G 4.2891 8.3153 107.2785 45.5625 0.0000 174.0026 39 R 4.1817 7.9313 117.4028 55.8773 30.6108 176.9489 40 W 4.6640 8.6521 119.5120 58.0591 29.7346 176.9008 41 R 4.6603 7.8696 116.3301 54.1233 31.8248 175.3205 42 L 4.2424 8.8153 123.9465 56.9222 42.0930 177.5404 43 T 4.7790 7.5266 112.8939 60.4406 71.6729 171.9209 44 P 4.2363 0.0000 0.0000 62.7571 31.7748 176.4226 45 A 4.1673 8.5297 126.4094 51.9154 19.0920 176.9201 46 V 4.0897 7.8632 116.2020 62.4841 34.2541 172.2647 47 R 4.2496 8.8660 123.2791 56.2767 29.5644 175.9748 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 4.43 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 2 K 8.45 3.84 0.00 1.79 1.72 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.52 7.81 3 R 8.07 4.57 0.00 1.90 1.93 0.00 3.46 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 4 T 8.56 3.93 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 5 W 8.13 4.79 0.00 3.30 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 6 Q 7.38 4.19 0.00 1.78 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.48 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 7 P 0.00 3.10 0.00 2.13 2.21 0.00 3.37 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.04 0.00 8 N 8.17 4.52 0.00 2.62 2.52 0.00 0.00 7.21 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 9 R 8.66 3.93 0.00 1.90 2.00 0.00 3.21 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 10 R 7.97 3.87 0.00 1.87 1.92 0.00 3.20 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 11 K 8.12 3.76 0.00 1.99 1.99 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.59 7.81 12 R 8.35 4.02 0.00 2.12 2.18 0.00 3.46 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 13 A 8.19 4.04 1.40 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 0.00 0.00 0.00 14 K 8.27 3.93 0.00 1.91 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.61 7.81 15 T 8.25 4.10 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 0.88 0.00 0.00 16 H 7.93 4.85 0.00 3.17 3.33 0.00 5.67 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 17 G 8.14 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 0.00 0.00 0.00 18 F 9.06 4.05 0.00 3.05 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.23 4.04 0.00 1.95 2.00 0.00 3.27 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.87 0.00 20 A 8.00 3.95 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 21 R 8.21 3.83 0.00 1.77 1.89 0.00 3.27 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 22 M 7.35 3.97 0.00 1.86 2.04 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 1.97 1.82 0.00 23 R 7.67 3.97 0.00 1.88 1.97 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 24 T 7.20 4.38 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 25 P 0.00 4.33 0.00 2.29 2.28 0.00 3.74 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 2.06 2.02 0.00 26 G 8.04 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 0.00 0.00 0.00 27 G 7.76 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 0.00 0.00 0.00 28 R 8.20 3.90 0.00 2.00 1.98 0.00 3.11 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.90 0.00 29 K 8.03 3.96 0.00 2.00 1.85 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.59 7.81 30 V 7.46 3.71 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 0.99 0.00 0.00 0.99 0.00 0.00 31 L 7.84 3.95 0.00 1.92 1.74 0.62 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.32 3.82 0.00 1.88 1.99 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 33 R 9.30 3.90 0.00 2.19 1.99 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 34 R 8.57 3.94 0.00 2.04 1.97 0.00 3.29 0.00 0.00 3.24 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 35 R 8.09 3.91 0.00 1.95 2.07 0.00 3.24 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 36 Q 8.12 4.13 0.00 2.19 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 37 K 7.82 4.16 0.00 1.89 2.04 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 38 G 8.32 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 0.00 0.00 0.00 0.00 39 R 7.93 4.18 0.00 1.89 1.95 0.00 3.35 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 40 W 8.65 4.66 0.00 3.20 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 41 R 7.87 4.66 0.00 1.79 2.12 0.00 3.36 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 42 L 8.82 4.24 0.00 1.79 1.84 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.53 4.78 4.38 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 1.35 0.00 0.00 44 P 0.00 4.24 0.00 2.08 2.01 0.00 3.89 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 45 A 8.53 4.17 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 0.00 0.00 0.00 0.00 0.00 46 V 7.86 4.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.02 0.00 0.00 47 R 8.87 4.25 0.00 1.96 1.89 0.00 3.13 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00