NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4315 8.1633 120.3480 55.5437 34.3033 177.5103 2 K 4.5845 7.9557 117.4628 58.4829 32.7273 176.0340 3 L 3.7722 9.0822 117.4906 58.3764 42.4236 179.4540 4 S 3.9903 6.3611 113.8695 61.4861 63.4391 175.5470 5 E 3.9036 7.6618 120.0194 60.0464 28.8433 179.2094 6 V 3.5180 7.8515 119.8926 64.9587 32.0628 177.6026 7 R 4.0181 8.0053 117.7513 59.7114 29.8344 177.5847 8 K 3.7463 7.8821 118.6239 60.1359 31.9184 177.9745 9 Q 4.7815 7.7188 119.8902 57.7218 29.3626 177.6344 10 L 4.3698 8.0994 119.5841 57.3240 42.0984 178.5304 11 E 4.0423 8.0916 117.3150 58.9802 29.7558 178.2239 12 E 4.1579 8.2709 119.3737 58.1549 29.9433 176.5069 13 A 4.7237 7.6011 122.0959 51.9333 16.0433 177.9786 14 R 4.7205 7.7281 112.8055 56.3982 33.5100 176.6792 15 K 3.8337 7.5742 117.4590 57.7733 32.5715 176.1956 16 L 4.7728 7.4545 121.1805 53.5421 43.9589 175.3873 17 S 4.6862 7.9718 113.4737 57.7511 65.2607 174.4689 18 P 4.2613 0.0000 0.0000 65.4903 31.1461 178.6926 19 V 3.6582 7.9026 116.6504 66.0573 31.1472 177.4535 20 E 4.0942 8.0416 117.1576 58.0792 29.8695 177.9353 21 L 3.8928 10.6745 120.5746 58.7555 42.0312 178.8540 22 E 3.9500 8.6962 118.6183 58.9286 29.5288 179.0772 23 K 3.8414 8.4188 118.5131 59.7329 32.2880 178.8860 24 L 3.8765 8.2574 120.4003 58.1569 42.0118 178.7387 25 V 3.5532 7.5941 118.0356 66.3480 31.3887 177.8194 26 R 3.9216 8.0471 117.3799 59.6652 29.8663 178.8299 27 E 3.9788 8.0745 117.6818 59.4275 29.5633 179.5617 28 K 3.9598 8.6170 118.7846 59.3720 31.9633 179.6069 29 K 3.9901 8.3669 119.1748 59.4038 32.0954 179.1568 30 R 3.8308 8.0354 118.9404 59.6775 29.7588 178.4139 31 E 3.9480 7.8850 118.4144 59.0702 29.4155 178.8129 32 L 3.9248 7.6505 119.9235 58.3665 42.1614 178.6851 33 M 4.0821 8.2927 118.2253 58.8687 32.2578 177.5478 34 E 3.7509 8.5146 119.7883 59.3275 29.0666 178.4445 35 L 4.1674 7.9999 120.2110 56.8742 42.4367 177.9459 36 R 4.4198 8.2106 114.6182 56.8027 29.9835 178.5788 37 F 3.9267 8.5526 119.7494 60.9850 38.8704 177.4942 38 Q 4.1193 8.1028 115.8276 58.7614 28.5053 178.7489 39 A 4.1690 7.7255 121.4834 54.9652 18.2527 179.8383 40 S 4.0877 7.6806 111.7875 61.3814 63.4710 176.3678 41 I 3.8265 7.5103 114.9090 61.9917 37.2013 175.6186 42 G 4.0163 8.0095 113.6130 46.6272 0.0000 176.1716 43 Q 4.5276 7.7006 121.5585 54.0624 27.4890 176.3614 44 L 4.8066 9.3340 112.0392 54.3534 45.9730 174.6885 45 S 4.6858 8.0945 111.4029 57.2303 65.6128 173.3224 46 Q 4.6843 8.0053 122.7614 55.4614 31.1566 177.3185 47 N 4.4086 8.2555 122.7038 54.6834 36.9849 177.9149 48 H 3.6174 9.4868 129.5264 59.2872 28.3366 176.3709 49 K 3.8773 7.8587 121.0229 60.4328 31.8395 177.8152 50 I 3.7392 8.7748 121.0586 63.3802 36.9239 177.9971 51 R 3.8567 7.9184 118.5625 60.2072 30.0743 178.0677 52 D 4.4370 8.3902 118.2123 57.5933 40.9232 179.1889 53 L 3.9364 7.9553 118.9611 57.8661 41.7017 179.3834 54 K 3.8615 8.0808 118.2764 60.0752 32.0222 179.4219 55 R 4.0700 8.1911 117.5494 58.6235 29.2900 178.7700 56 Q 4.0038 7.9655 118.4011 59.4013 28.7023 179.4412 57 I 4.2174 7.8232 120.1734 64.1523 36.8655 178.3963 58 A 3.9359 7.7358 120.9812 55.0802 18.2672 179.7238 59 R 3.9897 7.9942 115.6015 59.3843 30.3542 178.6010 60 L 4.1885 9.1425 119.0675 58.0310 41.4654 181.5385 61 L 4.3861 8.2086 115.6640 55.0394 41.6371 177.4916 62 T 4.2164 8.7735 122.9730 63.9146 69.5500 173.8906 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 2.03 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 2 K 7.96 4.58 0.00 1.98 1.87 0.00 1.91 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.51 7.81 3 L 9.08 3.77 0.00 1.70 1.47 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 4 S 6.36 3.99 0.00 3.85 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 5 E 7.66 3.90 0.00 2.22 2.19 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 2.33 2.50 0.00 6 V 7.85 3.52 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 1.00 0.00 0.00 7 R 8.01 4.02 0.00 1.96 1.93 0.00 3.41 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 8 K 7.88 3.75 0.00 2.05 1.93 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 9 Q 7.72 4.78 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 10 L 8.10 4.37 0.00 1.89 1.68 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.09 4.04 0.00 1.92 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 2.31 2.42 0.00 12 E 8.27 4.16 0.00 2.05 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 0.00 2.31 2.34 0.00 13 A 7.60 4.72 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 14 R 7.73 4.72 0.00 1.83 1.89 0.00 3.39 0.00 0.00 2.30 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 15 K 7.57 3.83 0.00 1.74 1.75 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.42 7.81 16 L 7.45 4.77 0.00 1.61 1.56 0.92 0.74 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 17 S 7.97 4.69 0.00 3.74 3.71 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 18 P 0.00 4.26 0.00 2.20 2.07 0.00 3.67 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 2.11 2.13 0.00 19 V 7.90 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 1.15 0.00 0.00 0.93 0.00 0.00 20 E 8.04 4.09 0.00 2.17 1.96 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 2.36 2.32 0.00 21 L 10.67 3.89 0.00 1.77 2.07 0.94 0.94 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 22 E 8.70 3.95 0.00 2.20 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 2.33 2.63 0.00 23 K 8.42 3.84 0.00 1.78 1.89 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.74 7.81 24 L 8.26 3.88 0.00 1.86 1.79 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.59 3.55 2.25 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 1.05 0.00 0.00 0.95 0.00 0.00 26 R 8.05 3.92 0.00 2.05 1.98 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 27 E 8.07 3.98 0.00 2.21 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 2.32 2.57 0.00 28 K 8.62 3.96 0.00 1.81 1.87 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.63 7.81 29 K 8.37 3.99 0.00 1.84 1.85 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.61 7.81 30 R 8.04 3.83 0.00 1.86 2.06 0.00 3.06 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 31 E 7.88 3.95 0.00 2.25 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 2.32 2.49 0.00 32 L 7.65 3.92 0.00 1.79 1.72 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.29 4.08 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.72 0.00 34 E 8.51 3.75 0.00 2.11 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 0.00 2.29 2.36 0.00 35 L 8.00 4.17 0.00 2.04 1.78 0.93 0.92 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 36 R 8.21 4.42 0.00 2.09 2.19 0.00 2.85 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.95 0.00 37 F 8.55 3.93 0.00 3.35 3.18 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 38 Q 8.10 4.12 0.00 2.25 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.44 2.67 0.00 39 A 7.73 4.17 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 40 S 7.68 4.09 0.00 3.98 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 41 I 7.51 3.83 1.88 0.00 0.00 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 1.66 0.61 0.97 0.00 0.00 42 G 8.01 4.02 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 0.00 0.00 0.00 43 Q 7.70 4.53 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.61 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 44 L 9.33 4.81 0.00 1.61 1.63 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.09 4.69 0.00 3.78 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 46 Q 8.01 4.68 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.66 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 47 N 8.26 4.41 0.00 3.07 2.37 0.00 0.00 6.81 8.04 0.00 0.00 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 H 9.49 3.62 0.00 3.34 3.61 0.00 5.50 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.86 3.88 0.00 1.81 1.92 0.00 1.21 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.59 7.81 50 I 8.77 3.74 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 1.53 1.07 0.92 0.00 0.00 51 R 7.92 3.86 0.00 1.89 1.99 0.00 3.22 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 1.78 0.00 52 D 8.39 4.44 0.00 2.96 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 53 L 7.96 3.94 0.00 1.99 1.72 0.95 0.99 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 54 K 8.08 3.86 0.00 2.00 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.66 7.81 55 R 8.19 4.07 0.00 1.88 1.97 0.00 3.15 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 56 Q 7.97 4.00 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 57 I 7.82 4.22 1.98 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 1.44 1.13 0.91 0.00 0.00 58 A 7.74 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 3.99 0.00 2.07 2.00 0.00 3.20 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 60 L 9.14 4.19 0.00 1.80 1.75 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.21 4.39 0.00 1.89 1.70 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.77 4.22 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 1.21 0.00 0.00