NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6786 8.2827 119.2046 53.7109 41.6015 176.0612 4 L 3.8458 7.6457 118.7490 57.7684 42.4541 177.7829 5 N 4.3738 8.3219 116.2673 56.1578 38.9150 176.5661 6 Q 3.9168 7.8834 120.4495 59.2100 29.3118 177.9326 7 I 3.6576 8.0922 121.1745 64.6756 37.1884 177.6188 8 Q 3.8914 8.3984 120.3302 59.5134 28.7601 178.6947 9 K 3.8475 8.4948 119.2964 60.0336 32.2762 179.1858 10 E 4.0348 8.3052 118.2543 59.1725 29.3444 179.6084 11 V 3.6139 8.3515 118.9949 65.8483 31.4673 178.2844 12 S 4.0956 8.2139 115.0057 61.6315 62.6599 176.1330 13 E 3.9071 8.1038 121.8985 59.3438 29.2183 178.7789 14 I 3.6649 7.6950 119.6957 64.4184 37.0102 178.0713 15 L 3.9543 7.6585 119.6813 58.2017 42.3536 178.8822 16 S 4.2695 8.4014 114.5208 61.5882 63.0687 176.0003 17 D 4.3852 8.3732 122.8555 57.2477 40.6568 178.7136 18 Q 4.0292 8.4271 120.2801 58.6704 28.8927 178.4069 19 K 3.9772 7.8698 119.6963 59.5045 32.1661 179.4659 20 S 4.1157 8.0150 114.0106 61.6174 62.9509 176.1340 21 M 4.0213 8.0408 122.3216 58.0128 31.6896 178.6194 22 K 3.8887 7.9858 119.0164 59.3531 32.4189 178.2760 23 A 3.9960 8.1601 121.3895 55.8185 18.1966 179.5159 24 D 4.3527 8.1379 116.8680 57.2624 40.7534 179.1289 25 I 3.6623 7.8297 120.5040 64.2295 37.1534 177.8994 26 K 3.7767 8.1758 120.1538 59.7819 31.8818 178.1243 27 A 4.0144 8.0277 120.5956 55.5703 18.1329 179.7827 28 I 3.6376 7.9070 117.8819 64.6460 37.2706 178.5815 29 L 3.9597 8.1879 120.1426 57.7136 41.3999 179.3146 30 E 3.8478 8.7302 119.4650 59.2338 29.1622 178.5397 31 L 3.9509 8.1417 120.5646 58.2624 41.9270 179.0246 32 L 4.1366 8.0212 117.9608 57.7174 41.6440 179.3169 33 G 3.7807 7.8627 104.6927 47.9547 0.0000 175.5406 34 S 4.2526 7.9464 116.5510 60.4770 63.2900 175.5287 35 Q 4.1119 7.1391 118.8294 55.8680 29.0585 176.0737 36 N 4.6447 8.4502 119.0973 51.3398 38.8146 173.6782 37 P 4.1954 0.0000 0.0000 63.2706 32.8588 177.1679 38 I 3.6792 8.4421 123.3867 64.6812 37.2117 178.4364 39 K 3.8388 8.1562 118.5478 59.6685 31.8397 178.7364 40 E 3.8741 8.0642 118.5767 59.3551 29.6477 178.6175 41 S 4.0813 8.0457 115.0990 61.8214 62.9266 176.3553 42 L 3.9465 8.1667 121.6254 58.2872 41.4965 179.3201 43 E 3.9642 8.7751 118.5724 59.8991 29.4724 179.8529 44 T 3.9769 7.9356 109.4875 64.7086 69.1935 177.2345 45 V 3.5974 8.1095 121.2435 65.4863 31.4603 177.8567 46 A 4.0160 8.7636 120.8165 54.9967 18.0911 179.5040 47 A 3.9605 7.8157 119.0100 55.1262 18.4306 179.8111 48 K 3.8971 8.1016 118.2642 59.4623 32.2413 179.1167 49 I 3.6845 7.8328 120.1601 64.5004 37.0234 178.7213 50 V 3.6087 7.5756 112.6626 64.6106 31.4314 177.6718 51 N 4.2924 8.3280 116.6526 57.1367 38.6609 176.1783 52 D 4.3754 8.3334 119.5471 57.6754 41.1133 179.1623 53 L 4.0022 7.9520 119.0726 57.9986 41.5848 179.5943 54 T 3.8475 8.6545 116.2653 66.6751 68.3732 176.2487 55 K 3.8143 7.9858 120.1048 59.6033 31.9274 178.7151 56 L 3.9251 7.6038 118.7685 58.4027 42.1872 178.7535 57 I 3.8381 8.1207 119.7497 64.7674 36.9544 178.2836 58 N 4.3822 8.5577 115.5420 55.6439 38.4348 176.4748 59 D 4.4020 8.3300 118.8943 54.6023 42.9314 175.4704 60 C 4.2237 8.1562 115.3397 60.8153 25.8156 172.0722 61 P 4.3653 0.0000 0.0000 65.1930 31.6828 177.5869 62 C 4.5690 7.9000 113.4970 59.8981 28.4730 174.6025 63 N 4.5640 7.8144 119.0038 55.6914 38.2798 177.5030 64 K 3.9573 8.0057 119.7287 59.3252 32.0363 178.7397 65 E 3.9012 8.0636 118.9232 59.2993 29.7221 178.5185 66 I 3.6717 7.7415 119.2814 64.6752 37.1773 178.2562 67 L 4.0124 7.9922 119.4145 57.7401 41.1173 179.6056 68 E 3.9190 7.8923 117.2901 59.3390 29.5019 178.8255 69 A 4.1414 7.5566 119.3790 55.0432 18.4851 179.5250 70 L 4.2313 7.8084 116.6132 57.5731 42.7698 178.8766 71 G 4.0453 8.9146 110.9123 46.5104 0.0000 173.6029 72 T 4.1844 7.7739 120.4661 63.7442 69.2316 174.1929 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 3 N 8.28 4.68 0.00 2.82 2.77 0.00 0.00 6.71 5.78 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 4 L 7.65 3.85 0.00 1.88 1.64 0.92 0.30 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 5 N 8.32 4.37 0.00 2.77 2.85 0.00 0.00 6.77 7.74 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 6 Q 7.88 3.92 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 7 I 8.09 3.66 2.02 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 0.53 0.91 0.00 0.00 8 Q 8.40 3.89 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 9 K 8.49 3.85 0.00 2.06 1.87 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 10 E 8.31 4.03 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 2.33 2.61 0.00 11 V 8.35 3.61 2.27 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 1.03 0.00 0.00 0.97 0.00 0.00 12 S 8.21 4.10 0.00 4.06 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 13 E 8.10 3.91 0.00 2.17 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 2.36 0.00 14 I 7.69 3.66 2.07 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 0.66 0.91 0.00 0.00 15 L 7.66 3.95 0.00 1.83 1.83 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.40 4.27 0.00 4.07 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 17 D 8.37 4.39 0.00 3.07 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 18 Q 8.43 4.03 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 19 K 7.87 3.98 0.00 1.96 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.70 1.59 7.81 20 S 8.02 4.12 0.00 4.04 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.04 4.02 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 22 K 7.99 3.89 0.00 2.07 1.88 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 23 A 8.16 4.00 1.39 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 0.00 0.00 24 D 8.14 4.35 0.00 2.92 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 25 I 7.83 3.66 2.02 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 0.96 0.91 0.00 0.00 26 K 8.18 3.78 0.00 1.82 2.00 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 27 A 8.03 4.01 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 28 I 7.91 3.64 2.01 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 1.52 0.67 0.91 0.00 0.00 29 L 8.19 3.96 0.00 1.80 1.72 0.92 0.85 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 30 E 8.73 3.85 0.00 2.06 2.12 0.00 0.00 0.00 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 2.31 0.00 31 L 8.14 3.95 0.00 1.87 1.83 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.02 4.14 0.00 1.65 1.71 0.92 0.99 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 33 G 7.86 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 34 S 7.95 4.25 0.00 3.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.14 4.11 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 36 N 8.45 4.64 0.00 2.83 2.81 0.00 0.00 6.10 7.75 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 37 P 0.00 4.20 0.00 2.09 2.05 0.00 3.87 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 2.26 2.09 0.00 38 I 8.44 3.68 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 1.64 0.58 0.91 0.00 0.00 39 K 8.16 3.84 0.00 1.79 1.88 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.52 7.81 40 E 8.06 3.87 0.00 2.03 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 2.37 2.40 0.00 41 S 8.05 4.08 0.00 4.02 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 42 L 8.17 3.95 0.00 2.01 1.73 0.95 0.85 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 43 E 8.78 3.96 0.00 2.15 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 2.34 2.43 0.00 44 T 7.94 3.98 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 45 V 8.11 3.60 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 1.00 0.00 0.00 0.98 0.00 0.00 46 A 8.76 4.02 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 47 A 7.82 3.96 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 48 K 8.10 3.90 0.00 1.90 1.97 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.43 1.52 7.81 49 I 7.83 3.68 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 1.52 0.93 0.91 0.00 0.00 50 V 7.58 3.61 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 0.84 0.00 0.00 1.00 0.00 0.00 51 N 8.33 4.29 0.00 2.91 3.00 0.00 0.00 7.26 8.74 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 52 D 8.33 4.38 0.00 2.73 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 53 L 7.95 4.00 0.00 1.70 1.72 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.65 3.85 4.38 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 1.21 0.00 0.00 55 K 7.99 3.81 0.00 2.05 1.88 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 56 L 7.60 3.93 0.00 1.63 1.88 0.92 1.19 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 57 I 8.12 3.84 2.00 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 1.72 0.81 0.91 0.00 0.00 58 N 8.56 4.38 0.00 2.74 2.88 0.00 0.00 7.11 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 59 D 8.33 4.40 0.00 2.90 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 60 C 8.16 4.22 0.00 3.09 2.88 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 61 P 0.00 4.37 0.00 2.04 2.11 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 62 C 7.90 4.57 0.00 2.95 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.81 4.56 0.00 2.78 2.85 0.00 0.00 7.01 7.23 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 64 K 8.01 3.96 0.00 1.79 1.86 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.50 7.81 65 E 8.06 3.90 0.00 2.03 1.94 0.00 0.00 0.00 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 2.40 0.00 66 I 7.74 3.67 2.00 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 0.46 0.91 0.00 0.00 67 L 7.99 4.01 0.00 1.86 1.72 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.89 3.92 0.00 2.20 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 2.34 2.42 0.00 69 A 7.56 4.14 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 70 L 7.81 4.23 0.00 1.80 1.74 0.92 0.90 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 71 G 8.91 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 72 T 7.77 4.18 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