NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.0623 8.3144 120.1224 56.0226 33.6120 174.2496 7 K 4.3502 7.9782 124.2417 54.5650 34.0825 173.1508 8 Y 5.5028 8.9651 125.4959 56.3486 42.3756 173.9507 9 A 4.8674 9.3760 122.4812 50.2133 23.4001 174.7390 10 K 4.9722 8.4532 120.0207 54.4109 34.7846 175.7312 11 S 4.3329 8.9318 122.8049 58.3157 62.9375 174.6358 12 K 4.0057 8.7918 126.9676 57.6740 32.6082 174.9716 13 Y 4.9460 7.4349 113.8616 56.3070 42.3653 174.3280 14 D 4.9868 8.8551 119.8221 54.4108 42.4975 176.3631 15 F 4.8481 9.1100 122.6886 57.0054 43.1271 173.0500 16 V 4.3071 7.6803 126.0017 60.5846 32.5835 175.2963 17 A 3.9883 8.4252 131.9938 52.5209 18.6923 177.1636 18 R 4.5109 9.1433 119.7637 55.9160 31.7877 175.6588 19 N 5.1094 7.6116 115.9486 51.4358 42.1761 174.8948 20 S 4.3469 8.6907 116.7027 60.4337 63.2995 175.1381 21 S 4.4785 8.0276 115.8388 59.3556 63.3705 173.9353 22 E 4.4591 7.8457 119.9600 55.0793 30.5445 175.0822 23 L 4.7573 8.2483 123.3336 53.2491 43.8909 176.1991 24 S 4.6043 8.7806 122.8414 58.8873 63.6870 174.0108 25 V 4.6884 8.9962 115.8865 60.1129 36.4193 174.2414 26 M 5.1520 9.3972 122.0190 52.9699 35.1952 175.7215 27 K 4.0158 9.0748 123.0390 58.4560 32.6800 177.0461 28 D 4.7499 9.0427 124.6395 54.2124 39.6132 174.4297 29 D 4.5300 7.9486 120.3607 54.3221 42.1164 175.3784 30 V 4.6203 8.2985 122.5682 61.5755 32.7722 174.8179 31 L 4.9516 9.2277 127.9610 52.8717 45.1542 175.0184 32 E 4.6432 8.7550 123.1862 55.3756 30.6829 175.3349 33 I 4.2001 8.3594 128.7092 60.4848 37.7907 175.7946 34 L 4.5071 8.4109 126.2992 53.7351 43.9536 175.4471 35 D 4.1731 8.6740 115.6709 56.6078 38.1043 173.8702 36 D 4.4664 9.2112 113.5663 55.6623 38.5924 174.3075 37 R 3.9116 7.7597 111.2665 56.9695 28.3849 177.1255 38 R 3.9382 8.0349 117.8055 56.7678 30.7424 175.6531 39 Q 4.6656 8.2458 122.3955 54.7278 30.5233 174.7027 40 W 5.2502 8.9556 122.0763 54.7221 33.0488 174.6781 41 W 5.4311 9.2290 121.1744 54.9658 32.4896 174.5179 42 K 4.4566 8.8504 123.9089 55.8484 32.7657 176.0269 43 V 4.6405 8.9683 119.4859 59.7969 36.9421 174.0078 44 R 5.0063 8.3062 121.3100 54.7377 32.6757 174.9188 45 N 4.7142 8.9245 124.0696 51.4413 39.0722 175.5941 46 A 3.9283 8.4821 120.2997 55.4028 18.3145 178.6466 47 S 4.1841 8.0565 108.1120 59.3244 62.6549 174.8057 48 G 3.9877 8.2638 108.2561 45.6311 0.0000 173.5778 49 D 4.6010 8.1368 120.1525 54.2959 42.0491 175.4031 50 S 5.0910 8.2054 116.0675 57.0266 64.9789 173.0559 51 G 3.9547 7.9556 110.7061 46.3643 0.0000 171.4606 52 F 5.6828 8.9717 118.0619 55.7422 41.3249 175.8756 53 V 4.8553 8.9906 121.8412 60.4039 35.3087 173.0591 54 P 3.8406 0.0000 0.0000 62.3160 31.7792 176.4648 55 N 3.9739 8.2510 119.1668 53.8360 37.4940 175.9086 56 N 4.6208 7.5836 115.9630 52.9897 37.5480 175.2157 57 I 4.3082 7.3977 110.1038 60.6418 38.3126 174.8962 58 L 4.7554 7.2278 119.4693 53.2315 43.7071 175.4065 59 D 4.9663 8.3746 121.5015 52.2015 42.7444 176.6151 60 I 3.9484 8.4195 125.1212 61.6017 37.8356 175.0376 61 M 4.8524 8.3314 121.8840 53.8840 34.9339 174.9591 62 R 4.7202 8.2464 122.5602 54.7583 34.4804 174.3103 63 T 4.5244 8.1554 110.4387 59.2278 70.5944 173.0364 64 P 4.4025 0.0000 0.0000 62.9984 31.2916 176.1394 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 6 K 8.31 4.06 0.00 1.70 1.27 0.00 1.49 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.31 7.81 7 K 7.98 4.35 0.00 1.85 1.53 0.00 1.54 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.57 7.81 8 Y 8.97 5.50 0.00 2.84 2.72 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 9 A 9.38 4.87 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.45 4.97 0.00 1.73 1.66 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.67 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.52 7.81 11 S 8.93 4.33 0.00 3.98 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 12 K 8.79 4.01 0.00 1.65 1.68 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.36 1.12 7.81 13 Y 7.43 4.95 0.00 2.90 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 14 D 8.86 4.99 0.00 2.64 2.65 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 15 F 9.11 4.85 0.00 3.15 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 16 V 7.68 4.31 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 0.71 0.00 0.00 0.84 0.00 0.00 17 A 8.43 3.99 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 18 R 9.14 4.51 0.00 1.78 1.95 0.00 3.11 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 19 N 7.61 5.11 0.00 2.80 2.71 0.00 0.00 6.94 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 20 S 8.69 4.35 0.00 4.03 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 21 S 8.03 4.48 0.00 4.17 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 0.00 22 E 7.85 4.46 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 23 L 8.25 4.76 0.00 1.62 1.58 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.78 4.60 0.00 3.79 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 25 V 9.00 4.69 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 0.84 0.00 0.00 1.08 0.00 0.00 26 M 9.40 5.15 0.00 1.87 2.04 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 27 K 9.07 4.02 0.00 1.67 1.73 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.47 7.81 28 D 9.04 4.75 0.00 2.85 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 29 D 7.95 4.53 0.00 2.74 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 30 V 8.30 4.62 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 0.66 0.00 0.00 0.86 0.00 0.00 31 L 9.23 4.95 0.00 1.56 1.54 0.95 0.64 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 32 E 8.75 4.64 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.74 0.00 33 I 8.36 4.20 1.82 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 1.21 0.66 0.90 0.00 0.00 34 L 8.41 4.51 0.00 1.66 1.56 0.86 1.06 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 35 D 8.67 4.17 0.00 3.13 2.90 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 36 D 9.21 4.47 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.76 3.91 0.00 1.99 2.03 0.00 3.17 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 38 R 8.03 3.94 0.00 1.78 1.87 0.00 2.81 0.00 0.00 3.00 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.35 0.00 39 Q 8.25 4.67 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 40 W 8.96 5.25 0.00 3.14 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.23 5.43 0.00 3.38 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 42 K 8.85 4.46 0.00 1.75 1.66 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.16 0.79 7.81 43 V 8.97 4.64 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 0.77 0.00 0.00 0.98 0.00 0.00 44 R 8.31 5.01 0.00 1.72 1.73 0.00 3.21 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.77 0.00 45 N 8.92 4.71 0.00 3.01 2.98 0.00 0.00 6.44 6.70 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 46 A 8.48 3.93 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 47 S 8.06 4.18 0.00 3.85 4.06 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 0.00 0.00 0.00 0.00 48 G 8.26 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 0.00 0.00 0.00 49 D 8.14 4.60 0.00 2.77 2.59 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 50 S 8.21 5.09 0.00 3.82 3.68 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 51 G 7.96 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.97 5.68 0.00 2.96 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.99 4.86 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 0.99 0.00 0.00 1.06 0.00 0.00 54 P 0.00 3.84 0.00 1.62 1.17 0.00 3.48 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.44 0.00 55 N 8.25 3.97 0.00 1.44 1.42 0.00 0.00 6.58 6.47 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 56 N 7.58 4.62 0.00 2.70 2.74 0.00 0.00 5.91 7.81 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 57 I 7.40 4.31 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 0.79 0.00 0.00 58 L 7.23 4.76 0.00 1.79 1.74 1.22 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.37 4.97 0.00 2.65 2.59 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 60 I 8.42 3.95 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.84 0.93 0.00 0.00 61 M 8.33 4.85 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 62 R 8.25 4.72 0.00 1.77 1.74 0.00 3.25 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 63 T 8.16 4.52 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 64 P 0.00 4.40 0.00 2.06 2.01 0.00 3.70 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 2.03 2.08 0.00