NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 G 3.7160 8.3501 109.7372 43.5769 0.0000 172.1873 9 A 3.8021 7.7607 119.3051 51.2974 19.3578 176.1924 10 M 4.0957 8.9724 123.3571 56.6457 33.8783 176.1953 11 G 3.8082 7.9098 104.7768 43.6844 0.0000 170.8109 12 P 4.4874 0.0000 0.0000 62.5276 32.7619 175.9504 13 I 4.4595 8.2324 123.6736 61.0766 37.9273 175.2601 14 I 4.7774 9.2588 120.1304 59.3559 41.6451 174.1140 15 T 5.1389 8.4060 117.9789 62.1106 71.4481 173.9035 16 T 4.7377 9.4567 122.1068 61.8362 72.6003 172.8915 17 Q 5.3412 8.7393 123.5861 54.2315 31.8388 175.2301 18 V 4.6730 8.6322 121.0656 60.3981 35.3011 174.2706 19 T 5.1150 8.4648 112.0775 60.5262 70.9486 173.7441 20 I 4.7462 8.6005 115.8805 58.2140 41.6055 172.8375 21 P 4.5921 0.0000 0.0000 63.0728 31.8674 177.2294 22 K 3.8753 9.4780 125.5260 59.8729 31.9333 178.8136 23 D 4.4206 8.1242 117.2881 56.6427 40.7598 177.6006 24 L 4.3890 7.8869 117.9601 55.2342 42.0008 178.2801 25 A 4.1403 8.1731 122.0869 54.6578 18.2912 179.7242 26 G 3.6670 8.1408 104.2244 48.2632 0.0000 175.8979 27 S 4.1805 7.6047 116.2293 61.5070 62.9148 176.5729 28 I 3.8816 7.6565 121.1158 64.0128 37.0926 177.6289 29 I 3.7814 7.6281 120.4520 64.1813 37.3471 177.2750 30 G 4.2759 7.8352 103.3097 44.4357 0.0000 172.8714 31 K 3.9366 8.4418 119.7061 57.5219 32.5985 176.7414 32 G 3.8163 9.5720 112.5317 46.2754 0.0000 173.3927 33 G 4.0049 8.1194 104.2058 46.4825 0.0000 176.7749 34 Q 4.0718 8.2342 123.7272 59.0469 28.6547 179.0106 35 R 3.9478 7.9154 121.1942 61.5292 29.4197 180.4605 36 I 3.9227 8.0114 122.3702 64.3381 38.1059 178.4822 37 K 3.8871 7.8797 124.1802 60.1572 31.4332 180.6359 38 Q 4.2342 8.2986 120.6986 58.9936 28.9647 178.3589 39 I 3.7515 7.9427 121.1258 64.4214 37.2491 178.6487 40 R 4.1921 8.2342 120.5416 58.8933 29.6394 178.6911 41 H 4.2876 7.9407 116.7387 59.0941 30.0027 176.4237 42 E 3.9777 8.0185 120.1840 59.6478 29.5645 178.8199 43 S 4.5512 7.5999 114.1355 58.4735 63.4853 175.5056 44 G 3.8913 7.9406 108.3442 45.2981 0.0000 173.5027 45 A 4.4285 7.8949 122.1927 51.7457 20.0640 176.5147 46 S 4.7043 9.1674 115.7586 57.3853 64.1954 173.1720 47 I 5.0256 8.3199 126.7255 59.5384 40.1606 174.4101 48 K 4.6220 9.3303 129.1369 54.4782 35.0659 174.5730 49 I 4.8434 8.2541 127.3905 59.6452 38.9905 175.3969 50 D 4.7236 8.9256 127.6571 53.4619 41.8477 176.3951 51 E 4.1502 8.5908 119.8395 55.3755 30.1484 175.4080 52 P 4.5298 0.0000 0.0000 63.1662 31.6642 176.1620 53 L 4.3738 8.1197 123.0439 54.1192 42.9133 176.3596 54 E 3.7943 8.9307 120.1180 57.4826 30.0315 176.5848 55 G 4.0460 8.8405 108.6671 46.3778 0.0000 172.8316 56 S 4.6742 7.6251 111.3506 56.1945 65.7241 173.2429 57 E 4.4221 8.6122 123.7384 56.6962 29.3133 174.7857 58 D 5.3615 8.2941 119.6522 53.4907 43.4406 175.5336 59 R 4.8374 8.8934 121.0459 54.4369 33.6098 174.8430 60 I 4.5603 8.3121 123.9918 60.6628 39.1089 174.5177 61 I 4.8529 9.0063 128.0262 59.9095 39.7391 174.6014 62 T 4.9402 9.2626 124.3066 61.9926 70.6604 173.4159 63 I 5.0073 9.1000 128.1211 59.7455 40.1402 174.8388 64 T 4.9072 9.2956 123.9213 61.3535 71.7720 174.3742 65 G 3.7558 8.0300 112.9875 45.2679 0.0000 172.0323 66 T 4.8360 7.8996 112.6308 60.2554 71.0266 175.2634 67 Q 3.9741 8.5727 119.5250 59.4251 28.6570 179.0454 68 D 4.3961 8.1373 118.9483 57.6400 40.9274 178.8842 69 Q 4.0984 7.8461 118.0124 59.0781 28.7395 178.9379 70 I 3.6847 8.1115 121.0985 64.5633 37.1867 178.4822 71 Q 3.8963 8.2896 118.9220 58.9471 28.2684 178.0247 72 N 4.3461 8.7197 118.1210 57.0634 38.8969 176.3608 73 A 4.1031 8.6039 122.0458 55.6601 18.5319 179.6888 74 Q 3.8902 8.2561 116.2571 59.0718 28.6098 178.6042 75 Y 4.1685 7.9760 117.8443 61.1695 37.9672 178.5017 76 L 4.0573 8.0636 119.9364 57.6904 41.4853 179.4833 77 L 3.9938 8.1672 119.1326 57.8312 41.3434 179.4368 78 Q 3.9847 7.7101 117.9542 59.4284 29.1732 177.7703 79 N 4.4962 8.3629 116.3676 56.1278 38.5285 177.2889 80 S 4.2782 7.9695 116.1615 61.6200 63.1121 175.0895 81 V 3.8945 7.3042 123.4806 63.2409 31.4252 175.3132 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 8 G 8.35 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 9 A 7.76 3.80 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.97 4.10 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 11 G 7.91 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 0.00 0.00 0.00 12 P 0.00 4.49 0.00 2.08 1.98 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 13 I 8.23 4.46 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 1.40 0.35 0.91 0.00 0.00 14 I 9.26 4.78 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 1.23 0.98 0.91 0.00 0.00 15 T 8.41 5.14 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 16 T 9.46 4.74 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 1.19 0.00 0.00 17 Q 8.74 5.34 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 18 V 8.63 4.67 2.06 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 0.76 0.00 0.00 0.91 0.00 0.00 19 T 8.46 5.11 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 1.20 0.00 0.00 20 I 8.60 4.75 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 1.22 1.41 0.90 0.00 0.00 21 P 0.00 4.59 0.00 2.09 2.03 0.00 3.60 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 2.10 0.00 22 K 9.48 3.88 0.00 1.81 1.87 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 23 D 8.12 4.42 0.00 2.66 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 24 L 7.89 4.39 0.00 1.93 1.69 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.17 4.14 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 26 G 8.14 3.67 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 0.00 0.00 0.00 27 S 7.60 4.18 0.00 4.04 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.66 3.88 1.99 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 1.64 0.35 0.91 0.00 0.00 29 I 7.63 3.78 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 1.23 0.70 0.91 0.00 0.00 30 G 7.84 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.44 3.94 0.00 1.89 1.69 0.00 1.99 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.51 1.01 7.81 32 G 9.57 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.12 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 34 Q 8.23 4.07 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.74 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 35 R 7.92 3.95 0.00 1.81 1.94 0.00 3.25 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 1.64 1.26 0.00 36 I 8.01 3.92 1.99 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 1.39 1.41 0.95 0.00 0.00 37 K 7.88 3.89 0.00 1.80 1.82 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.34 7.81 38 Q 8.30 4.23 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 39 I 7.94 3.75 2.01 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 1.54 0.85 0.93 0.00 0.00 40 R 8.23 4.19 0.00 1.86 1.99 0.00 3.14 0.00 0.00 3.43 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 41 H 7.94 4.29 0.00 3.14 3.34 0.00 5.97 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.02 3.98 0.00 2.31 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 2.32 2.36 0.00 43 S 7.60 4.55 0.00 4.31 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 44 G 7.94 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 45 A 7.89 4.43 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 46 S 9.17 4.70 0.00 3.87 3.73 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 47 I 8.32 5.03 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 1.23 0.79 0.91 0.00 0.00 48 K 9.33 4.62 0.00 1.75 1.61 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.37 7.81 49 I 8.25 4.84 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 1.34 0.77 0.91 0.00 0.00 50 D 8.93 4.72 0.00 2.54 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 4.15 0.00 2.21 1.88 0.00 0.00 0.00 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 1.87 0.00 52 P 0.00 4.53 0.00 2.07 2.06 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 53 L 8.12 4.37 0.00 1.73 1.62 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.93 3.79 0.00 1.96 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 2.28 2.34 0.00 55 G 8.84 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 56 S 7.63 4.67 0.00 3.76 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 57 E 8.61 4.42 0.00 2.13 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 2.31 2.39 0.00 58 D 8.29 5.36 0.00 2.63 2.54 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 0.00 0.00 0.00 0.00 59 R 8.89 4.84 0.00 1.69 1.78 0.00 3.11 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 1.60 1.56 0.00 60 I 8.31 4.56 2.03 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 1.34 0.74 0.91 0.00 0.00 61 I 9.01 4.85 1.86 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 1.22 0.81 0.96 0.00 0.00 62 T 9.26 4.94 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 63 I 9.10 5.01 1.86 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 1.22 0.94 0.91 0.00 0.00 64 T 9.30 4.91 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 1.25 0.00 0.00 65 G 8.03 3.76 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 0.00 0.00 0.00 66 T 7.90 4.84 4.42 0.00 0.00 0.00 0.00 0.00 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 67 Q 8.57 3.97 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 68 D 8.14 4.40 0.00 2.73 2.74 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 69 Q 7.85 4.10 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.61 2.41 0.00 70 I 8.11 3.68 2.06 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 1.51 0.75 0.89 0.00 0.00 71 Q 8.29 3.90 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 72 N 8.72 4.35 0.00 2.95 3.03 0.00 0.00 7.11 8.18 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 73 A 8.60 4.10 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 74 Q 8.26 3.89 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 75 Y 7.98 4.17 0.00 3.28 2.93 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 76 L 8.06 4.06 0.00 1.89 1.75 0.94 0.72 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 77 L 8.17 3.99 0.00 1.83 1.72 0.91 0.63 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 78 Q 7.71 3.98 0.00 2.35 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 79 N 8.36 4.50 0.00 2.88 2.89 0.00 0.00 7.13 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.97 4.28 0.00 4.10 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.30 3.89 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 0.79 0.00 0.00 1.00 0.00 0.00