NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3960 8.1076 122.4690 52.8186 20.9096 175.5293 2 T 5.2676 8.0803 104.5432 60.9191 69.5201 171.1824 3 Q 4.5255 7.5745 127.8321 54.5255 34.4938 174.7800 4 T 5.5515 7.9932 113.5603 59.5334 70.8747 172.6696 5 V 4.7467 8.6369 126.8315 61.3753 35.9439 173.6370 6 T 5.0737 8.3295 112.0763 60.0556 71.8073 173.2635 7 L 5.2713 8.7999 121.2972 53.0561 46.6469 175.8226 8 A 4.8542 8.6199 123.6131 50.6859 20.3696 175.7331 9 V 4.4373 8.3912 122.7030 59.4752 31.4315 174.5621 10 P 4.6143 0.0000 0.0000 63.5239 31.6191 178.7225 11 G 3.5775 8.0923 110.0343 48.2568 0.0000 174.7478 12 M 3.4848 7.7440 116.4170 56.7511 29.7464 177.1339 13 T 4.3519 7.6674 106.7629 62.0888 69.5414 172.6999 14 C 3.2799 8.2261 126.5044 60.2888 29.3329 172.2407 15 A 4.6361 8.8408 126.7965 52.7308 16.3250 178.0676 16 A 4.5766 7.9218 121.3834 55.3548 21.8267 179.0269 17 C 3.3074 8.7041 115.6609 61.0390 31.7642 173.8941 18 P 4.1993 0.0000 0.0000 64.2650 31.5035 177.8666 19 I 4.0021 7.4861 120.2086 64.2193 37.4803 177.8722 20 T 4.0134 7.8820 115.2948 66.3463 68.6161 177.0377 21 V 3.7881 7.9368 120.3392 65.7636 31.7551 177.6591 22 K 3.8127 7.5174 118.8226 59.7242 31.9464 178.7388 23 K 4.4575 8.1938 119.3181 58.7832 32.6210 179.0501 24 A 3.9249 7.9144 122.5908 55.3850 18.2010 179.6767 25 L 4.0211 7.8117 115.7406 57.6400 42.2248 179.4367 26 S 4.3612 8.2093 113.9330 59.9301 62.7416 175.4376 27 K 4.5768 7.3552 119.8704 56.0740 32.9455 177.5194 28 V 3.7609 7.2598 121.0442 64.6432 31.1536 176.2105 29 E 4.8433 7.8147 125.8695 55.2517 32.3326 176.9487 30 G 4.0106 7.2779 107.1611 45.0575 0.0000 173.1616 31 V 3.9722 7.5825 119.1675 62.8228 31.0296 176.2132 32 S 4.7477 8.7368 116.9599 58.7705 65.6984 173.3505 33 K 4.3772 7.8789 119.2754 56.2733 35.3859 173.3804 34 V 4.8080 8.0007 121.3078 61.5100 34.4977 171.7913 35 D 4.5662 8.7902 119.7916 54.5342 46.0115 174.8576 36 V 4.7503 8.2176 111.6852 60.7591 36.4053 175.5084 37 G 3.9704 8.7207 109.5279 45.4712 0.0000 174.0064 38 F 4.5894 9.0507 125.9337 58.6144 39.3144 177.4060 39 E 3.8417 8.1750 121.2081 58.8039 29.5180 177.4490 40 K 4.4630 7.7449 118.8346 56.4206 33.5102 175.9336 41 R 3.6144 8.3017 112.4179 56.4852 27.7005 175.0601 42 E 5.1093 8.0859 114.8185 54.6281 34.1658 175.9924 43 A 5.1805 8.6531 123.0842 50.0925 22.1254 175.3580 44 V 4.8802 8.3018 122.4257 59.9151 33.9390 175.4074 45 V 4.9449 8.8422 123.4789 60.2861 35.1103 174.5627 46 T 5.0727 8.4125 118.7094 61.6028 71.8251 173.4839 47 F 5.0955 7.6087 117.1516 57.6929 42.3732 171.6797 48 D 5.8500 8.2016 117.7727 52.1750 41.8687 177.6425 49 D 5.6413 8.9037 123.1790 56.0431 41.5034 176.9604 50 T 4.1142 7.9206 112.2041 64.5750 67.5488 174.4964 51 K 4.5660 8.1616 116.9370 55.7545 34.4099 175.1754 52 A 4.3218 6.8926 120.1516 53.2691 21.4793 174.5282 53 S 3.9823 7.7625 110.4856 56.8401 64.9606 178.7978 54 V 3.4236 7.8126 121.6377 66.2503 30.9151 177.1689 55 Q 3.9175 7.6481 118.9959 59.6012 28.5905 179.0901 56 K 4.0291 7.7748 117.4657 58.8683 32.2967 179.3136 57 L 4.0191 7.4332 119.1921 58.1994 41.7482 179.3506 58 T 3.8825 7.9955 115.5086 66.5231 68.3038 176.5792 59 K 3.9775 7.8865 120.9230 58.8665 32.2427 178.9549 60 A 3.9190 7.9405 121.4214 55.5086 18.5133 179.6180 61 T 3.9493 7.9003 110.7141 64.9307 67.0146 176.1643 62 A 4.8442 8.0797 124.5537 54.3993 18.2110 178.3604 63 D 4.1811 7.9963 113.9794 55.5380 41.5619 177.7585 64 A 4.2060 7.5198 120.3885 54.4405 18.4571 176.3583 65 G 2.7044 5.6585 106.5650 44.8259 0.0000 173.1369 66 Y 4.7169 7.7273 119.0054 55.3130 41.4481 172.9306 67 P 4.5039 0.0000 0.0000 63.2778 30.0658 174.9992 68 S 5.4868 8.0209 120.4200 57.0508 65.5407 171.0769 69 S 4.6993 7.9995 113.6671 58.0011 66.6299 173.4827 70 V 4.9035 8.3260 118.6322 60.8299 34.5392 175.1577 71 K 4.4813 8.5437 119.4507 55.4125 33.2956 176.6566 72 Q 3.8167 8.1752 125.0652 56.6031 28.8772 173.5101 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 A 8.11 4.40 1.28 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 2 T 8.08 5.27 4.14 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 1.19 0.00 0.00 3 Q 7.57 4.53 0.00 1.52 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 4 T 7.99 5.55 4.15 0.00 0.00 0.00 0.00 0.00 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 5 V 8.64 4.75 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 0.99 0.00 0.00 1.17 0.00 0.00 6 T 8.33 5.07 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 1.29 0.00 0.00 7 L 8.80 5.27 0.00 1.85 1.53 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.62 4.85 1.24 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 0.00 0.00 0.00 9 V 8.39 4.44 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 0.58 0.00 0.00 0.57 0.00 0.00 10 P 0.00 4.61 0.00 2.23 2.19 0.00 3.90 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 2.01 1.97 0.00 11 G 8.09 3.58 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 0.00 0.00 0.00 12 M 7.74 3.48 0.00 2.39 2.45 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 13 T 7.67 4.35 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 1.47 0.00 0.00 14 C 8.23 3.28 0.00 3.22 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 15 A 8.84 4.64 1.42 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 0.00 0.00 0.00 16 A 7.92 4.58 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.70 3.31 0.00 2.85 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 0.00 0.00 0.00 0.00 18 P 0.00 4.20 0.00 2.02 1.78 0.00 3.53 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.44 0.00 19 I 7.49 4.00 2.06 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 1.64 1.80 0.94 0.00 0.00 20 T 7.88 4.01 4.71 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 1.35 0.00 0.00 21 V 7.94 3.79 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.00 0.00 0.00 22 K 7.52 3.81 0.00 2.19 1.80 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.60 7.81 23 K 8.19 4.46 0.00 2.02 2.06 0.00 1.53 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.55 7.81 24 A 7.91 3.92 1.45 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 0.00 0.00 0.00 25 L 7.81 4.02 0.00 1.62 1.75 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.21 4.36 0.00 4.10 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 27 K 7.36 4.58 0.00 1.85 1.93 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.68 7.81 28 V 7.26 3.76 2.14 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 0.85 0.00 0.00 0.86 0.00 0.00 29 E 7.81 4.84 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 30 G 7.28 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 0.00 0.00 0.00 31 V 7.58 3.97 2.18 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 0.89 0.00 0.00 1.15 0.00 0.00 32 S 8.74 4.75 0.00 3.79 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 33 K 7.88 4.38 0.00 1.78 1.61 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.35 7.81 34 V 8.00 4.81 2.10 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 0.69 0.00 0.00 0.98 0.00 0.00 35 D 8.79 4.57 0.00 2.69 2.56 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 36 V 8.22 4.75 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 0.64 0.00 0.00 0.88 0.00 0.00 37 G 8.72 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 38 F 9.05 4.59 0.00 3.15 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 39 E 8.17 3.84 0.00 1.96 2.01 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 2.32 2.27 0.00 40 K 7.74 4.46 0.00 1.72 1.69 0.00 2.01 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.42 7.81 41 R 8.30 3.61 0.00 2.06 1.96 0.00 3.57 0.00 0.00 3.76 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 42 E 8.09 5.11 0.00 2.09 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 2.16 2.20 0.00 43 A 8.65 5.18 1.18 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 44 V 8.30 4.88 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 0.82 0.00 0.00 1.01 0.00 0.00 45 V 8.84 4.94 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.06 0.00 0.00 46 T 8.41 5.07 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 1.14 0.00 0.00 47 F 7.61 5.10 0.00 3.12 3.19 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 48 D 8.20 5.85 0.00 2.74 2.68 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 49 D 8.90 5.64 0.00 2.86 2.85 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 0.00 0.00 0.00 50 T 7.92 4.11 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 1.30 0.00 0.00 51 K 8.16 4.57 0.00 1.79 1.78 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.51 7.81 52 A 6.89 4.32 1.11 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 0.00 0.00 0.00 0.00 0.00 53 S 7.76 3.98 0.00 4.08 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.81 3.42 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 0.92 0.00 0.00 1.02 0.00 0.00 55 Q 7.65 3.92 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 56 K 7.77 4.03 0.00 1.76 1.73 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.52 7.81 57 L 7.43 4.02 0.00 1.73 1.66 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.00 3.88 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 1.25 0.00 0.00 59 K 7.89 3.98 0.00 1.97 1.91 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 60 A 7.94 3.92 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.90 3.95 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 1.32 0.00 0.00 62 A 8.08 4.84 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.00 4.18 0.00 2.87 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.52 4.21 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.66 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 0.00 0.00 0.00 66 Y 7.73 4.72 0.00 3.06 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.50 0.00 2.21 2.14 0.00 3.87 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 68 S 8.02 5.49 0.00 3.96 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 69 S 8.00 4.70 0.00 3.77 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 70 V 8.33 4.90 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 0.83 0.00 0.00 1.03 0.00 0.00 71 K 8.54 4.48 0.00 1.65 1.82 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.38 7.81 72 Q 8.18 3.82 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00