NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4408 8.3049 120.3473 55.2534 33.4186 174.2133 2 L 4.8314 8.1669 121.2424 51.0938 43.8217 174.6653 3 I 4.8807 8.8338 114.9051 59.4484 41.9562 173.7702 4 K 4.9972 8.9593 122.1333 54.8073 36.8385 175.7328 5 V 4.5886 8.1284 116.0847 59.2274 34.4355 175.1901 6 K 4.6267 9.7879 129.7380 56.2437 32.7960 176.3752 7 T 4.4080 10.3044 118.9495 60.8859 69.8560 175.1836 8 L 3.8738 8.7894 126.8917 58.8762 41.9683 179.2244 9 T 3.9427 7.8955 104.2045 62.9932 68.4213 174.1300 10 G 4.0639 8.8422 110.4933 45.1251 0.0000 173.2521 11 K 4.4590 8.1656 121.6275 54.5059 34.3410 174.9873 12 E 4.7070 8.7650 127.7075 54.9834 30.2202 175.6398 13 I 3.8907 8.7100 127.5165 60.3930 39.0520 175.0716 14 E 4.3925 8.8599 130.4021 55.4064 29.0788 177.6757 15 I 4.5339 6.8250 130.0340 63.1842 37.6197 176.3858 16 D 4.2635 7.1089 117.5211 53.2925 41.5058 177.1890 17 I 4.6794 7.9433 123.4121 59.6440 41.3740 174.4025 18 E 4.5766 8.7614 121.4767 54.4045 31.3366 176.2425 19 P 4.2090 0.0000 0.0000 66.1706 31.4542 179.1496 20 T 4.0771 7.7889 105.2673 63.1051 68.9411 174.0628 21 D 4.4895 7.5712 123.6927 54.2690 41.6637 176.0273 22 K 4.6597 8.3714 122.4438 55.6429 33.0037 178.1073 23 V 3.5994 8.7177 121.7543 66.3923 31.0038 178.1808 24 E 4.0831 8.1191 117.2924 58.6832 29.6345 178.2115 25 R 5.1446 7.9748 119.2937 58.2682 30.1065 178.5704 26 I 3.6836 7.5115 118.8290 64.3054 37.1134 178.3366 27 K 3.8734 8.0141 118.6014 60.0205 32.0085 178.7137 28 E 4.8697 7.8555 119.3170 58.4452 29.3132 178.9740 29 R 4.2826 8.8084 118.5129 57.5842 30.6250 178.7799 30 V 3.6265 7.6282 117.7438 65.6338 31.5052 177.0910 31 E 4.5015 8.4836 120.2670 57.8653 29.4287 176.6157 32 E 4.2780 8.3592 119.3956 56.9475 29.1158 177.8175 33 K 3.8523 8.1378 125.2473 59.3003 33.0353 177.5623 34 E 4.4119 7.9525 116.2506 55.4127 31.5377 177.2411 35 G 4.3699 8.2577 104.9194 46.4774 0.0000 172.6682 36 I 4.1670 7.3004 121.0011 59.1440 38.2725 173.9645 37 P 4.8521 0.0000 0.0000 61.2601 31.9536 175.5273 38 P 5.0074 0.0000 0.0000 65.2172 31.6057 177.6232 39 Q 4.0984 8.2092 117.7147 59.4444 29.0221 178.1653 40 Q 4.3251 7.5441 115.8360 55.3055 28.4105 177.0115 41 Q 4.5958 7.7152 117.6494 55.1195 33.0292 175.0390 42 R 4.9147 9.1360 124.4056 54.2315 33.1447 175.4438 43 L 4.9497 8.4143 122.2173 52.9394 45.2611 175.2099 44 I 4.4832 8.0625 123.7801 59.7539 38.6581 174.8798 45 Y 4.6469 7.9323 126.6347 56.5763 38.8603 175.1797 46 S 4.9293 8.0068 114.8794 58.6199 64.2533 176.2407 47 G 4.1927 8.7356 112.4170 46.3998 0.0000 174.8633 48 K 4.3091 7.6014 120.6054 55.0497 32.7456 175.6544 49 Q 4.6424 8.5105 122.8370 55.4193 29.7281 175.6492 50 M 3.8552 8.2209 123.1959 56.2021 33.0154 175.6184 51 N 4.4546 8.9346 119.6648 52.6570 39.7321 175.2738 52 D 4.2077 9.1370 122.9787 57.8063 41.6105 177.9947 53 E 3.9784 8.1968 121.2353 59.4790 30.0871 178.3118 54 K 4.3266 8.1685 118.1917 56.0854 33.2908 175.8597 55 T 4.9328 8.3863 110.2654 59.5986 70.9904 175.6266 56 A 4.0089 8.6034 124.8693 55.2457 18.7319 179.2433 57 A 4.1151 7.8920 118.9017 55.4361 18.5299 179.0330 58 D 4.4332 7.7551 111.6092 55.5152 40.2896 176.2572 59 Y 4.7318 7.7669 117.3662 59.6993 39.5516 175.6115 60 K 3.8109 8.0274 114.1960 57.8759 31.6150 175.4555 61 I 4.1455 7.3801 119.4690 60.7033 37.7746 176.3332 62 L 4.5556 8.1807 126.1864 52.9541 43.5034 178.0789 63 G 3.9912 8.3788 108.2345 45.0981 0.0000 174.6164 64 G 4.1767 7.6627 102.7604 44.2423 0.0000 174.7572 65 S 4.8204 8.2000 117.3625 56.9112 64.5551 174.3977 66 V 4.6784 8.4308 125.0808 61.7110 32.8393 174.4864 67 L 5.0621 8.8471 125.4456 53.3648 46.8228 174.7997 68 H 5.1374 8.5170 115.0647 54.1935 33.1243 172.3683 69 L 4.7203 8.6411 124.0891 53.2300 44.3243 175.8199 70 V 4.3412 8.6598 125.6030 60.8447 33.9896 174.4637 71 L 4.6126 8.5505 128.2842 54.3225 42.4378 177.0397 72 A 4.0158 7.9705 125.4344 51.6033 18.7300 179.2156 73 L 4.2107 8.3036 124.5760 54.4483 39.5438 176.2656 74 R 4.1725 7.6324 122.2708 55.7579 31.8332 173.4935 75 G 4.1026 7.8239 111.9328 45.4561 0.0000 173.9991 76 G 4.2677 8.0091 109.8535 44.7363 0.0000 173.8316 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 4.44 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 2 L 8.17 4.83 0.00 1.57 1.50 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.83 4.88 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.80 0.85 0.00 0.00 4 K 8.96 5.00 0.00 1.71 1.66 0.00 1.48 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.42 7.81 5 V 8.13 4.59 2.05 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 0.64 0.00 0.00 0.92 0.00 0.00 6 K 9.79 4.63 0.00 1.68 1.92 0.00 1.84 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.43 7.81 7 T 10.30 4.41 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 1.30 0.00 0.00 8 L 8.79 3.87 0.00 1.74 1.73 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.90 3.94 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 10 G 8.84 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 0.00 0.00 0.00 11 K 8.17 4.46 0.00 1.91 1.66 0.00 1.51 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.43 7.81 12 E 8.77 4.71 0.00 1.89 1.90 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 2.26 2.30 0.00 13 I 8.71 3.89 1.86 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 1.22 1.34 0.93 0.00 0.00 14 E 8.86 4.39 0.00 1.89 2.05 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 2.30 2.33 0.00 15 I 6.83 4.53 1.85 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 1.29 0.60 0.90 0.00 0.00 16 D 7.11 4.26 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.94 4.68 1.84 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 1.60 0.70 0.88 0.00 0.00 18 E 8.76 4.58 0.00 2.18 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 2.40 0.00 19 P 0.00 4.21 0.00 2.17 2.08 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 20 T 7.79 4.08 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 21 D 7.57 4.49 0.00 3.01 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 22 K 8.37 4.66 0.00 1.83 1.95 0.00 1.70 0.00 0.00 1.97 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.43 7.81 23 V 8.72 3.60 2.36 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 0.95 0.00 0.00 1.02 0.00 0.00 24 E 8.12 4.08 0.00 2.00 1.97 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 2.29 2.40 0.00 25 R 7.97 5.14 0.00 1.91 2.03 0.00 3.19 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 26 I 7.51 3.68 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.09 0.88 0.00 0.00 27 K 8.01 3.87 0.00 1.78 2.04 0.00 1.67 0.00 0.00 1.97 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.57 7.81 28 E 7.86 4.87 0.00 2.16 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 0.00 2.31 2.30 0.00 29 R 8.81 4.28 0.00 1.74 1.95 0.00 3.12 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 30 V 7.63 3.63 2.25 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 1.03 0.00 0.00 0.97 0.00 0.00 31 E 8.48 4.50 0.00 2.41 2.02 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 2.37 2.20 0.00 32 E 8.36 4.28 0.00 2.06 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.59 0.00 33 K 8.14 3.85 0.00 1.73 1.91 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 34 E 7.95 4.41 0.00 2.22 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 2.23 2.35 0.00 35 G 8.26 4.37 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 0.00 36 I 7.30 4.17 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 1.29 1.33 0.91 0.00 0.00 37 P 0.00 4.85 0.00 2.17 1.96 0.00 4.03 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 38 P 0.00 5.01 0.00 2.03 2.13 0.00 3.74 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 39 Q 8.21 4.10 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.75 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 40 Q 7.54 4.33 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.49 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 41 Q 7.72 4.60 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 42 R 9.14 4.91 0.00 1.87 1.99 0.00 3.22 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 43 L 8.41 4.95 0.00 1.50 1.49 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.06 4.48 1.89 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 1.11 0.59 0.91 0.00 0.00 45 Y 7.93 4.65 0.00 2.76 2.75 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 0.00 0.00 0.00 46 S 8.01 4.93 0.00 3.87 3.56 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 47 G 8.74 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.60 4.31 0.00 1.74 1.85 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.41 7.81 49 Q 8.51 4.64 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 50 M 8.22 3.86 0.00 1.61 1.89 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.64 0.00 51 N 8.93 4.45 0.00 2.82 2.80 0.00 0.00 6.86 7.99 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 52 D 9.14 4.21 0.00 2.68 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 53 E 8.20 3.98 0.00 1.97 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 0.00 2.35 2.34 0.00 54 K 8.17 4.33 0.00 2.21 1.99 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.45 7.81 55 T 8.39 4.93 4.50 0.00 0.00 0.00 0.00 0.00 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 56 A 8.60 4.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.89 4.12 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 58 D 7.76 4.43 0.00 2.60 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 0.00 0.00 0.00 0.00 59 Y 7.77 4.73 0.00 2.92 3.08 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 0.00 0.00 0.00 0.00 60 K 8.03 3.81 0.00 2.00 2.03 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.63 7.81 61 I 7.38 4.15 1.82 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.63 0.72 0.00 0.00 62 L 8.18 4.56 0.00 1.65 1.64 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.38 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 0.00 0.00 0.00 0.00 64 G 7.66 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.20 4.82 0.00 3.67 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 66 V 8.43 4.68 2.11 0.00 0.00 0.00 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 0.94 0.00 0.00 67 L 8.85 5.06 0.00 1.51 1.50 0.81 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.52 5.14 0.00 3.04 3.12 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.64 4.72 0.00 1.62 1.53 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.66 4.34 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 1.02 0.00 0.00 0.93 0.00 0.00 71 L 8.55 4.61 0.00 1.57 1.71 0.92 0.86 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 72 A 7.97 4.02 1.23 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 73 L 8.30 4.21 0.00 1.65 1.65 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.63 4.17 0.00 1.87 1.85 0.00 3.31 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 1.59 1.62 0.00 75 G 7.82 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 76 G 8.01 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 0.00 0.00 0.00 0.00