NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4882 0.0000 0.0000 62.3796 33.7259 174.7925 2 I 4.8537 8.2393 121.7430 59.1134 40.0836 173.2070 3 A 4.7925 9.2502 129.6855 49.9610 22.2735 174.2475 4 Q 4.9504 8.7092 122.7436 54.2775 31.6537 174.4309 5 I 4.4702 9.0814 127.6332 59.8516 39.9641 174.1732 6 H 5.2630 8.8300 124.7014 54.2965 29.8948 174.4943 7 I 4.6229 8.4317 116.6212 58.5526 41.1490 174.9825 8 L 4.6272 8.3883 123.9105 54.5169 42.1645 176.9159 9 E 4.0756 8.8088 121.4377 57.2027 29.9461 176.2330 10 G 3.6802 8.8261 108.3578 45.6266 0.0000 174.6081 11 R 4.4126 7.6564 119.3424 55.2336 31.4185 176.9255 12 S 4.4434 8.6169 115.9241 58.1014 65.3010 175.2464 13 D 4.3649 8.5532 122.3259 57.4348 40.5159 178.7411 14 E 3.9345 8.0850 119.4237 59.3991 29.6760 178.7462 15 Q 4.0037 7.9997 118.1039 58.9902 28.7839 178.9847 16 K 3.9881 8.0834 119.5071 59.3207 32.0939 179.3652 17 E 3.9995 8.2090 119.1123 59.5583 29.3701 179.5155 18 T 3.8461 7.9398 115.8667 66.4059 68.4660 176.3103 19 L 3.9110 8.0637 122.4403 58.4920 42.1406 179.1716 20 I 3.6721 7.7671 119.4725 64.2195 36.9812 178.5226 21 R 3.8448 7.8440 119.2914 59.5403 29.9660 178.3817 22 E 3.9516 8.6610 118.7089 59.4516 29.4543 179.6165 23 V 3.5704 8.0307 118.3907 66.0846 31.5422 178.2311 24 S 4.1295 7.9382 114.4332 61.6663 62.5777 176.6191 25 E 3.9426 8.2942 121.0740 59.3130 29.2347 179.2001 26 A 4.0029 8.2536 121.0359 55.1411 18.5075 179.8776 27 I 3.6762 7.9372 118.3692 64.4604 37.2665 178.5171 28 S 4.1392 8.1777 114.0730 61.4804 62.3782 176.2412 29 R 3.9049 8.3308 121.7233 59.5501 29.6069 178.6231 30 S 4.2435 8.0411 114.0161 60.7136 62.9262 175.6635 31 L 4.5308 7.5787 117.6931 53.1750 42.6833 175.8208 32 D 4.3656 7.7012 116.5977 55.5497 38.8105 173.3614 33 A 4.7901 7.7228 119.8933 49.3062 21.6955 175.7207 34 P 4.3193 0.0000 0.0000 62.3929 32.2329 177.4390 35 L 3.9197 8.7860 124.8221 58.4647 42.0393 178.8620 36 T 4.0866 7.8327 106.7629 63.3982 68.8800 174.8635 37 S 4.3840 8.0216 116.2864 58.8457 63.7410 173.9981 38 V 4.2450 7.4695 122.6884 62.2905 32.1325 175.2635 39 R 4.7266 8.8099 126.6339 54.3036 33.3217 174.7075 40 V 4.8508 8.4683 122.7183 61.0709 34.5704 174.4324 41 I 4.5569 9.0183 127.8983 59.5610 40.2025 174.2739 42 I 4.7161 8.4001 127.5579 59.8689 39.2072 175.0933 43 T 4.5133 9.0725 123.7746 61.7522 71.1342 173.1657 44 E 4.9256 8.8203 126.2207 55.8479 31.1091 175.7334 45 M 4.8475 8.8634 122.6868 53.1865 35.1939 175.7073 46 A 4.6433 8.5627 125.7033 51.7643 19.3043 178.6217 47 K 4.1560 8.4584 121.0310 59.1183 32.2509 178.3798 48 G 4.0502 7.9726 105.5482 45.6429 0.0000 173.5031 49 H 4.9590 8.6359 114.9068 54.9387 29.8375 173.4503 50 F 5.1090 8.2445 122.7010 56.2299 41.4263 173.7479 51 G 4.1704 8.3729 116.3382 43.5382 0.0000 172.2490 52 I 4.1266 8.1845 122.9648 60.0759 39.8503 176.0260 53 G 3.7206 9.5242 113.4778 46.3778 0.0000 174.2453 54 G 3.9136 8.4597 106.9618 44.8097 0.0000 173.7766 55 E 4.6880 7.5501 118.8451 53.7996 32.2380 175.5323 56 L 4.3360 8.2241 121.4636 54.6564 42.5871 178.1820 57 A 3.9189 9.1483 127.2714 55.2372 18.5943 179.6812 58 S 4.2094 8.2587 109.4629 60.7484 62.7204 175.2699 59 K 4.6292 7.7483 119.1973 55.6843 32.8539 176.2031 60 V 3.9558 7.7305 124.9757 64.4056 31.6851 173.8296 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 P 0.00 4.49 0.00 2.09 2.03 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 2 I 8.24 4.85 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 1.27 0.72 0.90 0.00 0.00 3 A 9.25 4.79 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 4 Q 8.71 4.95 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.64 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 5 I 9.08 4.47 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.69 0.88 0.00 0.00 6 H 8.83 5.26 0.00 2.90 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.43 4.62 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.25 0.86 0.00 0.00 8 L 8.39 4.63 0.00 1.53 1.65 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.81 4.08 0.00 1.95 1.95 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 2.31 2.27 0.00 10 G 8.83 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.66 4.41 0.00 1.78 1.85 0.00 3.25 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 12 S 8.62 4.44 0.00 4.06 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 0.00 13 D 8.55 4.36 0.00 2.78 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 14 E 8.08 3.93 0.00 2.03 1.94 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 2.37 2.40 0.00 15 Q 8.00 4.00 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 16 K 8.08 3.99 0.00 1.95 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.68 7.81 17 E 8.21 4.00 0.00 2.28 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 0.00 2.32 2.34 0.00 18 T 7.94 3.85 4.39 0.00 0.00 0.00 0.00 0.00 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 19 L 8.06 3.91 0.00 1.82 1.87 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.77 3.67 2.01 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 1.39 0.88 0.90 0.00 0.00 21 R 7.84 3.84 0.00 1.91 2.04 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.66 3.95 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 2.46 2.46 0.00 23 V 8.03 3.57 2.20 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 1.02 0.00 0.00 0.96 0.00 0.00 24 S 7.94 4.13 0.00 4.09 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 25 E 8.29 3.94 0.00 2.19 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 0.00 2.32 2.32 0.00 26 A 8.25 4.00 1.38 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 0.00 0.00 0.00 27 I 7.94 3.68 2.00 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 1.40 1.28 0.91 0.00 0.00 28 S 8.18 4.14 0.00 3.88 4.06 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 29 R 8.33 3.90 0.00 1.89 2.05 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 S 8.04 4.24 0.00 4.16 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 31 L 7.58 4.53 0.00 1.63 1.67 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.70 4.37 0.00 2.93 2.73 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 0.00 0.00 0.00 33 A 7.72 4.79 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 34 P 0.00 4.32 0.00 2.19 1.99 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 35 L 8.79 3.92 0.00 1.71 1.68 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.83 4.09 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 37 S 8.02 4.38 0.00 3.98 4.01 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 0.00 0.00 0.00 0.00 38 V 7.47 4.25 2.17 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 0.76 0.00 0.00 0.93 0.00 0.00 39 R 8.81 4.73 0.00 1.77 1.76 0.00 3.11 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 40 V 8.47 4.85 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 9.02 4.56 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 1.21 0.76 0.87 0.00 0.00 42 I 8.40 4.72 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.53 0.87 0.00 0.00 43 T 9.07 4.51 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 1.19 0.00 0.00 44 E 8.82 4.93 0.00 1.83 1.85 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 0.00 2.25 2.31 0.00 45 M 8.86 4.85 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 46 A 8.56 4.64 1.10 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 47 K 8.46 4.16 0.00 1.72 1.94 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.45 7.81 48 G 7.97 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.64 4.96 0.00 3.27 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.24 5.11 0.00 3.01 2.91 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 51 G 8.37 4.17 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 0.00 0.00 0.00 52 I 8.18 4.13 1.68 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.47 0.83 0.00 0.00 53 G 9.52 3.72 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 0.00 0.00 0.00 54 G 8.46 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 0.00 0.00 0.00 55 E 7.55 4.69 0.00 2.11 1.79 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 2.19 2.35 0.00 56 L 8.22 4.34 0.00 1.69 1.59 0.93 0.80 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 57 A 9.15 3.92 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 58 S 8.26 4.21 0.00 4.00 4.07 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 59 K 7.75 4.63 0.00 1.87 1.90 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.32 7.81 60 V 7.73 3.96 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 0.68 0.00 0.00 0.90 0.00 0.00