NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4570 8.3349 116.7973 58.6926 64.4252 175.3350 6 Q 4.2918 7.9117 120.3274 53.5206 27.8873 173.3357 7 Q 4.4632 8.8210 122.2162 56.9334 32.6672 177.1765 8 I 3.7928 8.0031 116.8301 64.1882 37.1352 177.1145 9 A 4.4113 7.9342 121.3331 54.5168 19.1529 179.2475 10 T 3.8033 7.7281 106.3084 64.8423 69.1051 176.4918 11 A 4.0179 8.2367 123.8237 54.4849 18.3030 179.6556 12 K 3.8046 8.1455 117.8198 59.6516 32.5152 178.2229 13 D 4.3717 8.9800 119.5645 57.3356 41.0190 178.1723 14 K 4.0880 8.7860 120.3963 59.9595 32.1983 178.0127 15 Y 4.0641 8.1321 119.7002 60.8534 38.6503 177.9843 16 E 3.7912 8.8557 119.9121 58.8476 29.4156 179.1656 17 W 4.7099 8.0585 130.0514 59.7057 30.8623 177.8454 18 L 2.8667 7.8097 119.3609 57.5262 40.9921 179.6429 19 V 3.4656 7.3432 118.2691 66.0893 31.4963 178.2605 20 S 4.5702 7.9150 114.7812 60.2159 62.6310 176.1018 21 R 4.0556 7.9530 119.4739 58.0854 29.4564 177.2995 22 I 4.3359 7.0006 118.3873 61.9158 38.7445 176.4149 23 V 3.8314 8.2547 126.9338 62.9467 30.5413 176.2427 24 K 4.3273 8.3145 126.2273 58.0715 33.1249 177.4183 25 N 4.6050 8.0127 114.2412 52.4101 37.5720 176.2093 26 H 4.1590 8.2429 113.0088 56.9645 28.3876 175.7380 27 N 4.5602 8.3204 116.2559 54.5482 38.3532 174.7624 28 E 4.3372 7.6833 118.6164 55.9918 30.5953 175.8952 29 N 5.1512 8.2732 116.4613 51.0984 42.1442 173.8472 30 W 3.3566 8.8743 135.0000 60.4178 30.7193 177.7077 31 L 3.5917 7.3052 118.9838 57.3343 41.1240 179.7099 32 S 3.9325 7.8013 114.2907 61.7553 62.6627 177.0835 33 V 3.5527 7.3671 114.9706 63.6973 31.4132 178.6328 34 S 3.0139 7.4474 114.4142 60.4151 62.4997 176.4610 35 R 3.6392 7.3562 121.5939 59.7937 30.1354 178.2662 36 K 3.6320 7.7166 117.3506 60.1762 32.0116 178.7797 37 M 3.8253 8.6770 119.4285 58.7153 31.8762 179.0069 38 Q 4.0199 7.4613 116.5387 58.4308 28.6135 176.9177 39 A 4.4004 7.4233 122.5540 52.2392 18.4778 177.4426 40 S 4.6980 8.2010 115.1842 56.4065 67.0285 173.3160 41 P 4.3874 0.0000 0.0000 66.1705 30.8618 177.8647 42 E 4.0836 8.4639 118.0462 59.9797 29.3612 178.3173 43 Y 4.5749 8.2003 118.4147 61.2194 39.0364 177.9637 44 Q 3.9461 8.3916 118.7650 59.0433 28.7853 178.1180 45 D 4.3955 8.7277 118.9154 57.9717 41.2543 178.2396 46 Y 3.9304 7.9717 119.3729 60.7546 38.4433 178.1905 47 V 3.6264 7.8444 118.9085 65.3706 31.2562 177.5688 48 Y 3.9842 8.0406 119.4126 60.9059 38.7870 177.2373 49 L 3.6457 7.8855 118.8690 58.1951 41.8098 178.7345 50 E 4.0201 8.3224 119.9456 54.2356 29.9602 177.1052 51 G 4.2139 5.9502 107.5621 44.9654 0.0000 173.3719 52 T 4.0657 7.7636 117.1714 66.5190 68.4563 177.4152 53 Q 4.0618 7.9690 119.6054 58.5144 28.8801 178.2560 54 K 3.5968 7.9296 120.1680 59.1475 32.2184 178.6607 55 A 4.1493 7.9986 121.4131 54.6604 18.1737 179.2447 56 K 2.4800 7.6957 118.4490 59.0496 32.0725 178.5294 57 K 3.6118 8.4962 120.5420 59.7129 31.9760 178.3640 58 L 3.9506 8.2989 120.5655 57.9635 42.0673 178.4284 59 F 4.2061 8.7394 121.2417 61.4781 39.2261 176.7585 60 L 3.6634 8.5637 119.1693 58.4263 41.3959 179.0706 61 Q 3.8939 8.1723 117.3379 59.6663 28.5694 178.5681 62 H 4.0238 8.3854 118.4147 59.6013 29.8599 177.2200 63 I 3.5165 7.9859 121.6269 64.7823 36.8504 177.6999 64 H 4.0134 8.2891 118.9628 59.3720 29.4498 177.4379 65 R 3.9139 7.9953 118.9438 59.1872 29.9596 178.5512 66 L 4.0918 8.1865 118.3498 57.7929 41.7192 179.4879 67 K 4.3376 8.3400 117.4908 57.6534 32.4672 177.2491 68 H 4.4973 8.3145 112.5703 55.0769 29.9969 173.7019 69 E 4.1464 8.8064 125.9155 56.6046 29.5120 176.2614 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 5 S 8.33 4.46 0.00 3.89 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 6 Q 7.91 4.29 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 7 Q 8.82 4.46 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 8 I 8.00 3.79 1.90 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 1.57 0.53 0.94 0.00 0.00 9 A 7.93 4.41 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.73 3.80 4.30 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 1.24 0.00 0.00 11 A 8.24 4.02 1.59 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 0.00 0.00 12 K 8.15 3.80 0.00 2.17 2.19 0.00 1.95 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.72 1.41 7.81 13 D 8.98 4.37 0.00 2.88 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.79 4.09 0.00 2.10 2.13 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.26 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.80 1.70 7.81 15 Y 8.13 4.06 0.00 3.16 2.86 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 16 E 8.86 3.79 0.00 2.22 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 2.33 2.52 0.00 17 W 8.06 4.71 0.00 3.37 3.47 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 0.00 18 L 7.81 2.87 0.00 1.36 1.33 0.55 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.34 3.47 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 1.17 0.00 0.00 0.72 0.00 0.00 20 S 7.91 4.57 0.00 4.20 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 21 R 7.95 4.06 0.00 1.71 0.96 0.00 2.41 0.00 0.00 2.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.32 0.00 22 I 7.00 4.34 1.78 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.82 0.00 0.00 23 V 8.25 3.83 2.39 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 1.19 0.00 0.00 1.32 0.00 0.00 24 K 8.31 4.33 0.00 1.79 1.81 0.00 1.84 0.00 0.00 1.93 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.37 7.81 25 N 8.01 4.60 0.00 2.74 2.88 0.00 0.00 6.01 7.89 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 26 H 8.24 4.16 0.00 3.39 3.61 0.00 5.47 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.32 4.56 0.00 2.84 2.90 0.00 0.00 6.78 7.28 0.00 0.00 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 E 7.68 4.34 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 29 N 8.27 5.15 0.00 2.76 2.62 0.00 0.00 6.57 8.05 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 30 W 8.87 3.36 0.00 2.92 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 31 L 7.31 3.59 0.00 1.70 1.53 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.80 3.93 0.00 3.84 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 33 V 7.37 3.55 1.89 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 0.96 0.00 0.00 0.57 0.00 0.00 34 S 7.45 3.01 0.00 3.21 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.36 3.64 0.00 1.77 1.88 0.00 3.22 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 36 K 7.72 3.63 0.00 1.71 1.63 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.52 7.81 37 M 8.68 3.83 0.00 1.81 1.55 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 38 Q 7.46 4.02 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.38 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 39 A 7.42 4.40 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 40 S 8.20 4.70 0.00 4.02 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 41 P 0.00 4.39 0.00 2.32 2.37 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 42 E 8.46 4.08 0.00 2.22 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 0.00 2.70 2.68 0.00 43 Y 8.20 4.57 0.00 3.26 3.36 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 0.00 0.00 0.00 0.00 44 Q 8.39 3.95 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.65 0.00 0.00 0.00 0.00 0.00 2.84 2.63 0.00 45 D 8.73 4.40 0.00 2.97 2.81 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 46 Y 7.97 3.93 0.00 3.12 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 47 V 7.84 3.63 1.83 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 0.83 0.00 0.00 0.38 0.00 0.00 48 Y 8.04 3.98 0.00 2.89 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.65 0.00 1.37 1.50 0.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.32 4.02 0.00 1.16 1.43 0.00 0.00 0.00 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 1.79 0.00 51 G 5.95 4.21 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 0.00 0.00 0.00 52 T 7.76 4.07 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 1.61 0.00 0.00 53 Q 7.97 4.06 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 54 K 7.93 3.60 0.00 1.75 1.73 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.48 7.81 55 A 8.00 4.15 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.70 2.48 0.00 0.96 1.57 0.00 1.56 0.00 0.00 1.46 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.15 0.39 7.81 57 K 8.50 3.61 0.00 2.06 1.86 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.50 7.81 58 L 8.30 3.95 0.00 2.00 1.97 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.74 4.21 0.00 3.27 3.05 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 60 L 8.56 3.66 0.00 1.73 1.67 0.92 0.41 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 61 Q 8.17 3.89 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.70 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 62 H 8.39 4.02 0.00 3.16 3.40 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.99 3.52 1.68 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 -0.36 0.70 0.00 0.00 64 H 8.29 4.01 0.00 3.13 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.00 3.91 0.00 1.85 2.13 0.00 3.22 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 66 L 8.19 4.09 0.00 1.79 1.74 1.00 0.59 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 67 K 8.34 4.34 0.00 1.75 1.53 0.00 1.43 0.00 0.00 1.43 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.81 1.45 7.81 68 H 8.31 4.50 0.00 3.09 3.21 0.00 5.55 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.81 4.15 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00