NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4272 8.1627 118.3252 55.2350 33.5766 173.4161 2 Q 4.7426 8.2647 121.8737 52.9983 31.0069 172.6868 3 I 4.6260 8.8459 120.5742 58.9783 41.6824 173.9266 4 F 4.9779 8.3353 123.9803 56.7296 40.9488 175.0062 5 V 4.7607 9.4835 123.9759 61.3411 33.6708 174.0794 6 K 5.0079 9.1651 128.6772 55.1827 33.7382 176.6734 7 T 4.7274 8.7681 121.6310 63.1027 69.5736 176.0751 8 L 4.1706 8.0283 124.3547 57.2603 41.9671 178.1704 9 T 4.2923 7.7133 107.6872 61.8127 68.6770 174.8740 10 G 4.2918 7.6653 114.6807 46.0596 0.0000 174.8462 11 K 3.9797 8.1106 119.0838 57.0980 33.5367 174.9028 12 T 4.8847 8.5168 120.7772 62.2114 70.2016 173.9091 13 I 4.6082 9.0747 127.7698 59.7243 39.6406 174.5562 14 T 4.9280 8.5965 117.4616 60.2689 70.6319 173.9993 15 L 4.8832 8.4397 123.2076 53.0316 46.7184 175.1327 16 E 4.8480 8.7419 120.3651 54.9960 31.0759 175.7427 17 V 4.5424 8.8526 117.5568 59.4342 35.7761 174.9270 18 E 4.4994 8.9610 121.0676 54.4528 30.6541 176.0426 19 P 4.1689 0.0000 0.0000 65.8143 31.5363 178.0373 20 S 4.5344 7.8402 110.6463 58.4437 63.5061 174.0971 21 D 4.4440 7.9986 122.2513 54.5762 41.3700 176.5110 22 T 4.6481 8.1882 112.4582 61.0649 70.1564 175.6986 23 I 3.7669 8.6836 123.7818 64.4581 36.8740 178.4294 24 E 3.9724 8.2319 120.3216 59.1441 29.2833 178.4970 25 N 4.2665 7.9480 116.8211 56.5625 38.9604 177.0013 26 V 3.5554 7.7450 119.1736 65.9033 31.5941 177.9121 27 K 4.3323 8.3225 119.2832 59.0622 31.8880 179.2262 28 A 4.0031 8.1924 121.0610 55.0604 18.3569 179.8388 29 K 4.1181 8.2783 117.3043 59.4530 31.9854 179.6924 30 I 3.7974 7.9805 120.7532 64.0896 36.9913 178.1715 31 Q 4.0493 8.3054 120.6042 59.2178 28.7022 177.6176 32 D 4.3890 7.9373 118.9155 57.5501 40.9998 179.0088 33 K 4.0713 7.6974 117.4425 59.3878 32.5160 178.0660 34 E 4.4230 8.9925 117.6048 55.9976 30.1698 177.4995 35 G 3.8788 8.3414 106.4622 45.1908 0.0000 173.1018 36 I 4.0210 7.3931 120.5948 59.4585 37.5564 174.1549 37 P 4.3123 0.0000 0.0000 62.1081 32.0207 175.4203 38 P 4.2600 0.0000 0.0000 65.9737 31.4521 178.2810 39 D 4.4187 8.0945 116.2437 57.1862 41.0213 177.3627 40 Q 4.4567 8.3428 116.6850 56.2567 29.3697 175.1417 41 Q 5.0504 7.8969 117.9135 54.3960 31.5951 175.0628 42 R 4.7380 8.5586 120.4473 54.6274 33.6970 174.3222 43 L 5.1490 8.5257 123.9128 53.2778 44.5081 175.7292 44 I 5.2081 8.6868 122.1541 59.7616 41.6698 174.1680 45 F 5.0606 8.9220 127.5197 56.7292 42.7750 174.4086 46 A 3.3728 8.6752 128.0073 53.2533 15.6074 178.0870 47 G 3.9012 8.0557 106.3645 46.1594 0.0000 173.6188 48 K 4.5952 7.6172 119.3336 54.1272 34.6229 175.0883 49 Q 4.5088 8.4363 123.2063 56.1901 29.5990 175.1602 50 L 4.4473 8.6979 126.7409 53.5637 43.3468 175.8655 51 E 4.5965 9.3394 122.0528 55.1354 31.5194 176.7828 52 D 4.4481 9.1805 123.8538 57.8343 40.9481 179.3487 53 G 3.7826 7.9795 104.1917 46.9841 0.0000 173.6968 54 R 4.4419 7.6566 119.8250 55.7957 31.5863 175.6745 55 T 4.9181 8.6785 111.0036 60.1180 71.2806 175.5412 56 L 4.1175 8.6389 123.0349 58.3442 42.2836 180.2147 57 S 4.0920 8.0543 113.7836 61.5078 62.6703 176.0857 58 D 4.2873 7.7643 121.6269 57.1367 40.6198 177.6378 59 Y 4.5922 7.2656 112.7465 57.0965 38.1080 174.9766 60 N 4.1401 8.1879 117.5721 54.5043 37.9849 173.9840 61 I 3.6190 7.6221 117.9831 60.0137 37.0380 175.5396 62 Q 4.5756 8.1189 125.1525 53.0288 31.3317 175.0331 63 K 3.8849 8.3811 117.3829 59.0658 32.4408 176.3367 64 E 3.6344 8.9687 119.4892 57.3082 27.8096 174.8927 65 S 4.6787 7.6942 115.2093 58.8352 64.4640 173.0688 66 T 5.2150 8.7226 117.7619 62.0442 70.7284 173.8292 67 L 5.1345 9.2423 125.6561 53.3864 45.5979 174.9808 68 H 5.4363 9.0862 116.9759 54.1172 32.2862 172.8121 69 L 5.2032 8.8435 122.5285 53.3709 45.1862 175.4026 70 V 4.7103 8.5287 124.6130 61.1395 35.1772 173.9460 71 L 5.0203 8.5199 125.4560 53.3358 44.0108 176.5132 72 R 4.4768 9.1576 123.5475 54.4678 31.0086 173.6385 73 L 4.7311 8.1007 123.8137 51.8732 43.8739 176.6905 74 R 3.7045 8.5958 121.8726 58.2353 30.3413 176.1549 75 G 3.6704 9.1594 113.1627 46.6884 0.0000 173.6308 76 G 4.1814 8.2025 112.2881 45.7516 0.0000 173.9749 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 8.16 4.43 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 2 Q 8.26 4.74 0.00 2.32 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 1.70 2.15 0.00 3 I 8.85 4.63 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.49 0.77 0.00 0.00 4 F 8.34 4.98 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.48 4.76 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 1.00 0.00 0.00 0.93 0.00 0.00 6 K 9.17 5.01 0.00 1.63 1.74 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.43 7.81 7 T 8.77 4.73 4.54 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 1.25 0.00 0.00 8 L 8.03 4.17 0.00 1.78 1.72 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.71 4.29 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 7.67 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 11 K 8.11 3.98 0.00 1.90 1.99 0.00 1.39 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.57 7.81 12 T 8.52 4.88 4.25 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 0.00 0.00 0.00 1.26 0.00 0.00 13 I 9.07 4.61 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.07 0.93 0.00 0.00 14 T 8.60 4.93 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 1.56 0.00 0.00 15 L 8.44 4.88 0.00 1.51 1.49 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.74 4.85 0.00 1.79 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 0.00 2.17 2.22 0.00 17 V 8.85 4.54 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 0.64 0.00 0.00 0.90 0.00 0.00 18 E 8.96 4.50 0.00 1.90 1.82 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 2.24 2.25 0.00 19 P 0.00 4.17 0.00 2.14 2.08 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 20 S 7.84 4.53 0.00 3.83 3.87 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 21 D 8.00 4.44 0.00 2.80 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.19 4.65 4.45 0.00 0.00 0.00 0.00 0.00 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 23 I 8.68 3.77 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.09 0.93 0.00 0.00 24 E 8.23 3.97 0.00 2.03 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 0.00 2.31 2.47 0.00 25 N 7.95 4.27 0.00 2.93 2.78 0.00 0.00 6.76 7.95 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 26 V 7.75 3.56 2.21 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 1.08 0.00 0.00 0.97 0.00 0.00 27 K 8.32 4.33 0.00 2.08 1.85 0.00 1.74 0.00 0.00 1.95 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.56 7.81 28 A 8.19 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 4.12 0.00 1.98 1.86 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.55 7.81 30 I 7.98 3.80 2.12 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 1.41 0.98 0.96 0.00 0.00 31 Q 8.31 4.05 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 32 D 7.94 4.39 0.00 2.91 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 33 K 7.70 4.07 0.00 1.86 1.94 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 34 E 8.99 4.42 0.00 2.02 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 2.29 2.46 0.00 35 G 8.34 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.39 4.02 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 1.42 0.59 0.92 0.00 0.00 37 P 0.00 4.31 0.00 2.17 1.99 0.00 3.63 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 38 P 0.00 4.26 0.00 2.17 2.13 0.00 3.60 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 39 D 8.09 4.42 0.00 2.67 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 40 Q 8.34 4.46 0.00 2.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 41 Q 7.90 5.05 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 42 R 8.56 4.74 0.00 1.83 1.80 0.00 3.46 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 43 L 8.53 5.15 0.00 1.57 1.55 0.92 0.78 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 44 I 8.69 5.21 1.92 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 1.11 0.76 0.95 0.00 0.00 45 F 8.92 5.06 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.68 3.37 0.91 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 47 G 8.06 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.62 4.60 0.00 1.78 1.68 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.32 7.81 49 Q 8.44 4.51 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 50 L 8.70 4.45 0.00 1.42 1.30 0.72 0.15 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 51 E 9.34 4.60 0.00 2.10 1.93 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 2.31 2.38 0.00 52 D 9.18 4.45 0.00 2.80 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 53 G 7.98 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.66 4.44 0.00 1.90 1.64 0.00 3.03 0.00 0.00 2.69 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 55 T 8.68 4.92 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 1.20 0.00 0.00 56 L 8.64 4.12 0.00 1.80 1.76 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.05 4.09 0.00 4.02 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 58 D 7.76 4.29 0.00 2.52 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 0.00 0.00 0.00 0.00 59 Y 7.27 4.59 0.00 3.07 2.92 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 0.00 60 N 8.19 4.14 0.00 2.86 3.02 0.00 0.00 7.11 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.62 3.62 1.72 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.41 0.48 0.00 0.00 62 Q 8.12 4.58 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 63 K 8.38 3.88 0.00 1.83 1.81 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.43 7.81 64 E 8.97 3.63 0.00 2.18 2.28 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 2.29 2.53 0.00 65 S 7.69 4.68 0.00 3.79 3.86 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 66 T 8.72 5.21 4.36 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 1.18 0.00 0.00 67 L 9.24 5.13 0.00 1.54 1.73 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.09 5.44 0.00 3.07 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.84 5.20 0.00 1.74 1.49 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.53 4.71 2.09 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 0.93 0.00 0.00 0.94 0.00 0.00 71 L 8.52 5.02 0.00 1.56 1.56 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.16 4.48 0.00 1.90 1.78 0.00 3.23 0.00 0.00 3.17 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 73 L 8.10 4.73 0.00 1.64 1.56 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.60 3.70 0.00 1.74 1.88 0.00 3.39 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 75 G 9.16 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 76 G 8.20 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