NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4701 8.2893 120.3265 53.9497 34.6508 176.7826 2 K 4.4228 7.2629 120.8876 55.6368 35.5920 174.1879 3 A 3.5564 8.1337 123.3074 51.1829 18.8347 177.1393 4 K 3.8845 8.5417 118.7547 57.0900 33.1260 175.5518 5 E 4.3076 8.9340 126.5732 56.4238 30.5443 178.3277 6 L 4.4164 8.8767 117.8683 54.4190 40.7299 178.3734 7 R 4.4378 7.5858 111.8942 56.3027 29.8519 177.8918 8 E 4.6282 8.4530 113.1824 55.5818 31.9741 175.7601 9 K 4.2682 7.8902 122.5057 56.6990 29.9821 176.7345 10 S 4.1251 8.0248 117.8336 61.3352 63.7798 175.9426 11 V 4.0073 7.4960 120.0714 60.2851 30.9479 175.7305 12 E 4.0914 7.2270 117.3932 58.4875 30.3691 177.9024 13 E 4.6516 8.5069 115.9411 57.3150 32.0087 177.0352 14 L 4.6242 8.0540 120.2042 57.1912 40.6218 177.3130 15 N 4.2938 7.9440 117.0894 54.5036 38.9787 174.2531 16 T 3.4358 8.4911 111.4332 62.8613 66.3802 173.8247 17 E 4.0855 7.9677 123.3584 57.7001 29.5802 177.4584 18 L 4.2319 7.2609 120.7471 56.7575 40.2601 178.3859 19 L 3.7332 8.0016 117.8420 57.3025 42.0955 178.7696 20 N 4.1419 7.5190 113.1453 55.3618 39.1364 174.6157 21 L 4.6877 8.3795 120.2338 54.8011 43.4929 176.9528 22 L 4.2212 8.8668 119.5845 56.7897 42.2998 178.7580 23 R 3.9379 8.0162 119.2714 60.0210 30.6495 177.5567 24 E 4.0963 8.6044 114.9681 57.6421 28.4409 178.1517 25 Q 3.7121 8.7184 117.9650 58.8671 29.9210 177.4993 26 F 4.0652 7.8768 119.5526 61.1294 40.6325 176.5259 27 N 4.2853 8.4919 116.8370 53.9393 38.7220 178.8283 28 L 3.9937 6.2688 123.2517 58.1619 42.5781 179.4802 29 R 4.0341 9.0691 118.7257 58.5015 30.0174 177.1914 30 M 3.9163 8.2957 115.6845 58.0825 31.0149 177.0067 31 Q 4.1358 8.0698 119.3496 55.0521 32.3806 172.5583 32 A 3.8814 8.3227 129.4652 52.7567 17.2340 179.2765 33 A 3.9158 7.7948 118.1463 54.7631 19.3203 178.0230 34 S 4.3272 7.8910 112.2461 57.5996 61.3431 173.7825 35 G 4.1460 8.3577 108.9579 45.6935 0.0000 171.8419 36 Q 4.5916 7.8916 117.3257 56.7915 31.1696 173.8534 37 L 4.6372 7.5148 117.5879 56.1949 46.2494 177.3358 38 Q 4.1577 8.0491 117.2682 59.3054 29.3862 177.4392 39 Q 4.7468 7.3631 115.4889 54.6784 32.0551 173.9698 40 S 4.3093 8.1670 122.9216 58.3353 61.4188 176.1800 41 H 4.2809 9.2536 111.1602 56.8141 29.3044 173.2906 42 L 4.5823 8.3587 121.5230 57.1974 43.9764 178.9850 43 L 3.7277 7.4167 117.0694 57.8060 41.9022 179.2025 44 K 4.1453 7.8133 118.9438 58.2847 32.5874 177.6510 45 Q 4.3108 7.8558 115.8564 57.0099 29.5789 175.2951 46 V 4.2200 8.0111 122.5775 62.6212 36.7896 174.5662 47 R 4.0219 8.2005 116.7258 56.6719 29.6734 176.6733 48 R 4.2430 7.8509 113.2232 57.5187 29.6981 177.5298 49 D 4.6173 8.0946 119.0302 54.8427 39.0276 178.0831 50 V 3.6619 7.6810 114.6837 64.3649 31.3903 177.9344 51 A 4.0430 7.8448 120.5133 55.0536 18.3105 179.6069 52 R 3.8499 7.8376 115.4994 59.8668 30.2974 178.9178 53 V 3.5901 7.8284 111.3739 64.4685 31.5251 178.3263 54 K 3.9115 8.0380 119.3641 59.6695 31.8777 179.2903 55 T 3.9164 8.4716 116.5912 66.4201 68.5178 176.1985 56 L 4.5395 8.1633 123.8960 57.7269 41.8843 178.6404 57 L 3.9310 7.7318 118.4970 58.4588 41.9659 178.2407 58 N 4.4522 7.6520 116.0556 56.6133 39.1993 176.5192 59 E 4.1794 8.4153 120.0521 58.4324 29.4464 178.6479 60 K 4.1632 7.8533 119.0026 56.2636 31.5502 178.3976 61 A 4.1142 8.1627 124.1179 54.3520 18.8931 179.3851 62 G 3.9129 7.7941 105.6014 43.6844 0.0000 173.4503 63 A 4.3090 7.8646 126.1156 52.5583 19.2800 176.7264 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 8.29 4.47 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 2 K 7.26 4.42 0.00 1.95 1.80 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.56 7.81 3 A 8.13 3.56 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 4 K 8.54 3.88 0.00 1.72 1.82 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.46 7.81 5 E 8.93 4.31 0.00 2.08 1.49 0.00 0.00 0.00 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 2.34 0.00 6 L 8.88 4.42 0.00 1.75 1.61 0.92 0.94 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 7 R 7.59 4.44 0.00 1.80 1.95 0.00 3.32 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.56 0.00 8 E 8.45 4.63 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 2.19 2.27 0.00 9 K 7.89 4.27 0.00 1.97 1.77 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.56 7.81 10 S 8.02 4.13 0.00 3.89 3.93 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 11 V 7.50 4.01 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 0.74 0.00 0.00 0.93 0.00 0.00 12 E 7.23 4.09 0.00 2.06 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 0.00 2.31 2.58 0.00 13 E 8.51 4.65 0.00 1.96 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 2.47 2.23 0.00 14 L 8.05 4.62 0.00 1.72 1.82 0.91 0.87 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 15 N 7.94 4.29 0.00 2.79 2.78 0.00 0.00 6.71 6.84 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 16 T 8.49 3.44 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 17 E 7.97 4.09 0.00 2.42 1.91 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 2.29 2.28 0.00 18 L 7.26 4.23 0.00 1.88 1.70 0.89 0.33 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 19 L 8.00 3.73 0.00 1.63 1.59 0.85 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.52 4.14 0.00 2.98 2.83 0.00 0.00 6.98 7.66 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 21 L 8.38 4.69 0.00 1.65 1.65 0.92 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.87 4.22 0.00 1.63 1.53 0.66 0.28 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 23 R 8.02 3.94 0.00 1.98 1.95 0.00 3.24 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 24 E 8.60 4.10 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 25 Q 8.72 3.71 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.98 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 26 F 7.88 4.07 0.00 3.01 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.49 4.29 0.00 3.08 2.61 0.00 0.00 6.94 6.74 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 28 L 6.27 3.99 0.00 1.82 1.78 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 29 R 9.07 4.03 0.00 1.83 2.21 0.00 3.30 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 30 M 8.30 3.92 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.72 0.00 31 Q 8.07 4.14 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.03 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 32 A 8.32 3.88 1.37 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 0.00 0.00 33 A 7.79 3.92 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 34 S 7.89 4.33 0.00 4.02 3.85 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 35 G 8.36 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 0.00 0.00 0.00 0.00 36 Q 7.89 4.59 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 37 L 7.51 4.64 0.00 1.58 1.59 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.05 4.16 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.26 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 39 Q 7.36 4.75 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.14 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 40 S 8.17 4.31 0.00 3.73 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 41 H 9.25 4.28 0.00 3.22 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.36 4.58 0.00 1.71 1.64 1.07 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.42 3.73 0.00 1.72 1.68 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.81 4.15 0.00 1.71 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.40 7.81 45 Q 7.86 4.31 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 46 V 8.01 4.22 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 0.67 0.00 0.00 0.93 0.00 0.00 47 R 8.20 4.02 0.00 1.80 1.98 0.00 3.36 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 48 R 7.85 4.24 0.00 2.02 2.37 0.00 3.02 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 49 D 8.09 4.62 0.00 2.99 2.95 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 50 V 7.68 3.66 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 0.76 0.00 0.00 0.98 0.00 0.00 51 A 7.84 4.04 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 52 R 7.84 3.85 0.00 2.05 2.01 0.00 3.14 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 53 V 7.83 3.59 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 0.86 0.00 0.00 1.04 0.00 0.00 54 K 8.04 3.91 0.00 1.82 1.91 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.54 7.81 55 T 8.47 3.92 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 1.33 0.00 0.00 56 L 8.16 4.54 0.00 1.81 1.81 0.92 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.73 3.93 0.00 1.66 1.70 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.65 4.45 0.00 2.89 3.03 0.00 0.00 7.29 7.53 0.00 0.00 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 E 8.42 4.18 0.00 2.29 1.98 0.00 0.00 0.00 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 2.39 0.00 60 K 7.85 4.16 0.00 1.92 1.83 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.53 7.81 61 A 8.16 4.11 1.32 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 0.00 0.00 62 G 7.79 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 0.00 0.00 0.00 63 A 7.86 4.31 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00