NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2777 8.3049 120.3269 55.8444 32.9499 175.6624 2 L 3.4485 8.5336 125.1440 53.1443 40.8959 172.5845 3 I 3.3032 8.2369 121.6058 60.0466 38.6754 174.0238 4 P 4.2632 0.0000 0.0000 61.5072 31.7584 176.2089 5 I 3.5013 8.1492 123.9127 61.9924 38.2117 172.1212 6 R 4.8594 8.4955 132.5283 55.7884 30.2566 175.5364 7 C 3.9453 8.2222 122.0171 58.8024 32.4169 173.6135 8 F 4.3474 8.3658 126.6061 61.3769 37.9735 176.7173 9 T 3.9989 7.4438 115.7678 65.9775 68.7601 174.3311 10 C 4.3107 7.9683 119.2638 56.1442 42.7569 175.1947 11 G 3.7670 8.1897 107.6425 45.0178 0.0000 173.2641 12 S 4.3818 7.5087 114.6985 57.4863 63.9940 173.3257 13 L 4.4922 8.0493 119.9518 54.7729 41.8286 175.6282 14 I 4.3464 7.4547 118.2491 61.4274 40.5928 177.3716 15 A 3.9514 8.1231 121.3994 55.7336 18.0971 179.0264 16 D 4.4452 8.1279 115.3111 56.9625 39.2639 178.7628 17 K 4.3664 7.9555 116.9908 56.9146 32.6540 178.3934 18 W 4.7996 8.6575 130.1997 60.6232 30.4016 179.2932 19 Q 4.2533 8.2377 115.6972 55.7010 27.7913 177.0396 20 S 4.4808 8.7519 111.6747 57.0684 64.7267 175.1147 21 F 4.1000 7.4707 121.4750 59.9187 38.5990 177.0619 22 I 3.9033 7.1468 113.1493 64.7880 37.3881 177.4204 23 T 3.6805 7.7153 116.3318 66.6383 68.4133 175.6674 24 R 4.0004 8.0726 118.7312 59.6701 30.2713 179.1731 25 V 3.9682 7.8312 117.8192 65.7071 31.5298 177.6204 26 N 4.4677 8.0519 114.0991 54.9349 39.3118 176.0406 27 A 4.5148 7.7725 123.9840 49.6663 17.7619 178.0855 28 G 3.5875 8.0916 120.6711 45.9527 0.0000 177.8475 29 E 3.3239 9.0271 123.6756 56.2895 26.5556 173.6458 30 N 4.2377 8.6492 125.5609 53.6092 39.6007 172.7608 31 P 4.3873 0.0000 0.0000 65.8649 31.4454 178.4404 32 G 3.7331 8.1451 103.5111 48.0807 0.0000 175.7122 33 K 4.4390 8.2487 122.7995 58.3408 32.0032 179.6461 34 V 4.1183 7.7505 118.3578 65.7551 31.1275 178.1921 35 L 4.2080 7.6617 118.2334 57.9115 41.8047 178.4496 36 D 4.5354 8.2629 119.0138 57.9745 40.6361 178.6785 37 D 4.3460 9.3823 117.3924 55.7903 41.3551 176.0903 38 L 4.3622 7.0074 119.9326 52.6015 43.8106 176.0669 39 G 3.7416 8.3537 109.8682 45.8567 0.0000 173.0994 40 V 4.4561 7.9286 124.9209 60.8970 34.9110 172.6872 41 K 3.9985 8.5798 127.1898 56.9006 32.3632 179.3860 42 R 4.5283 8.0271 127.3987 55.8766 33.3062 175.0900 43 Y 4.3743 7.9553 112.6643 59.0089 39.2736 177.2774 44 C 3.6484 6.9472 114.5035 60.9603 29.4115 175.3534 45 C 4.6771 7.9449 113.7047 56.5322 40.2507 174.6307 46 R 4.0861 7.2198 117.9811 58.0269 29.8702 177.7455 47 R 3.9417 8.8185 119.7564 59.7607 29.8504 178.0271 48 M 3.8225 7.9719 116.8976 58.6230 32.2022 178.6085 49 L 4.0690 7.6511 117.9488 57.7784 41.9131 179.2381 50 L 4.1114 7.3916 116.1718 56.7245 41.4560 178.2348 51 S 4.6390 7.5428 111.6474 57.9639 63.1799 173.1336 52 H 4.6921 8.2270 121.6752 55.4174 29.4749 175.4641 53 V 3.6522 8.3611 121.4525 62.3056 31.8232 175.4187 54 D 4.0784 7.2598 117.1395 55.0162 38.0565 172.0280 55 I 4.3488 7.4810 113.1994 60.2015 38.4597 178.6005 56 I 3.5118 7.8081 123.8168 64.2742 38.0179 177.9361 57 N 4.5130 8.1961 116.9868 55.8498 38.6153 175.8058 58 E 4.3328 8.1922 116.3154 57.8397 30.1822 177.3337 59 V 4.1998 7.2034 116.7249 63.9434 32.2399 176.6856 60 I 3.8254 7.7706 120.0375 64.6200 38.1676 176.7119 61 H 4.5512 7.7906 114.9008 54.8749 25.4691 172.7835 62 Y 4.9013 6.9618 120.2501 56.7924 47.1210 176.9963 63 T 3.5528 9.8104 116.6219 60.7553 66.8992 172.1365 64 R 4.1828 8.2700 119.2462 55.9461 29.2179 175.5728 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 8.30 4.28 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 2 L 8.53 3.45 0.00 1.82 1.60 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.24 3.30 1.53 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.36 0.40 0.00 0.00 4 P 0.00 4.26 0.00 1.55 1.76 0.00 3.27 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.82 0.00 5 I 8.15 3.50 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.60 0.89 0.00 0.00 6 R 8.50 4.86 0.00 1.99 1.94 0.00 3.30 0.00 0.00 3.81 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.54 0.00 7 C 8.22 3.95 0.00 2.81 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 8 F 8.37 4.35 0.00 3.07 2.98 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 0.00 0.00 0.00 9 T 7.44 4.00 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 10 C 7.97 4.31 0.00 3.03 3.15 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 11 G 8.19 3.77 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 0.00 0.00 0.00 12 S 7.51 4.38 0.00 4.01 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 13 L 8.05 4.49 0.00 1.65 1.87 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.45 4.35 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.34 0.78 0.00 0.00 15 A 8.12 3.95 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 16 D 8.13 4.45 0.00 2.89 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 17 K 7.96 4.37 0.00 2.22 2.29 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.54 7.81 18 W 8.66 4.80 0.00 3.35 3.36 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 19 Q 8.24 4.25 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.62 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 20 S 8.75 4.48 0.00 3.70 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 21 F 7.47 4.10 0.00 3.04 2.97 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 22 I 7.15 3.90 1.68 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 -0.31 0.85 0.00 0.00 23 T 7.72 3.68 4.16 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 1.13 0.00 0.00 24 R 8.07 4.00 0.00 1.94 2.02 0.00 3.01 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 25 V 7.83 3.97 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 0.98 0.00 0.00 0.99 0.00 0.00 26 N 8.05 4.47 0.00 2.79 2.84 0.00 0.00 6.99 7.46 0.00 0.00 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 A 7.77 4.51 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 28 G 8.09 3.59 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 0.00 0.00 0.00 29 E 9.03 3.32 0.00 2.09 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 0.00 2.31 2.26 0.00 30 N 8.65 4.24 0.00 2.75 2.75 0.00 0.00 7.11 7.71 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 31 P 0.00 4.39 0.00 2.23 2.18 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 32 G 8.15 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 0.00 0.00 0.00 33 K 8.25 4.44 0.00 2.07 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.32 7.81 34 V 7.75 4.12 2.26 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 0.73 0.00 0.00 0.95 0.00 0.00 35 L 7.66 4.21 0.00 1.92 1.85 1.09 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.26 4.54 0.00 2.80 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 37 D 9.38 4.35 0.00 2.77 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 38 L 7.01 4.36 0.00 1.61 1.50 0.26 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.35 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.93 4.46 2.37 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 0.88 0.00 0.00 1.04 0.00 0.00 41 K 8.58 4.00 0.00 1.76 1.60 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.35 7.81 42 R 8.03 4.53 0.00 1.77 1.63 0.00 3.19 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.50 0.00 43 Y 7.96 4.37 0.00 3.21 3.22 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 0.00 44 C 6.95 3.65 0.00 3.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.94 4.68 0.00 2.92 3.10 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 46 R 7.22 4.09 0.00 2.28 2.05 0.00 3.32 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 47 R 8.82 3.94 0.00 2.16 1.96 0.00 3.27 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 48 M 7.97 3.82 0.00 1.79 2.03 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 49 L 7.65 4.07 0.00 1.47 1.44 0.09 0.59 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 50 L 7.39 4.11 0.00 1.82 1.78 0.96 0.89 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 51 S 7.54 4.64 0.00 3.92 3.92 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 52 H 8.23 4.69 0.00 3.11 3.31 0.00 5.94 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.36 3.65 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 0.73 0.00 0.00 0.92 0.00 0.00 54 D 7.26 4.08 0.00 2.10 2.58 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 55 I 7.48 4.35 1.89 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 1.31 0.98 0.91 0.00 0.00 56 I 7.81 3.51 1.96 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 1.33 1.34 1.02 0.00 0.00 57 N 8.20 4.51 0.00 2.82 2.93 0.00 0.00 6.91 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 58 E 8.19 4.33 0.00 2.01 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 2.34 2.34 0.00 59 V 7.20 4.20 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 0.78 0.00 0.00 1.01 0.00 0.00 60 I 7.77 3.83 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.83 1.05 0.00 0.00 61 H 7.79 4.55 0.00 3.05 3.17 0.00 5.59 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 6.96 4.90 0.00 3.11 2.81 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 0.00 0.00 0.00 0.00 63 T 9.81 3.55 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 1.24 0.00 0.00 64 R 8.27 4.18 0.00 1.90 1.89 0.00 3.24 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00