NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3421 8.2649 123.5865 51.9923 19.8436 176.1452 3 R 4.2696 8.3047 122.6405 54.4407 31.5973 175.8613 4 K 3.6635 9.3048 123.5610 59.7848 33.0782 178.3893 5 A 3.9153 8.0956 119.5104 54.2010 18.6038 177.4943 6 L 4.7433 8.6911 114.5842 54.5727 43.0048 177.4636 7 I 4.3250 8.5147 120.9081 61.3332 36.7584 176.5580 8 E 4.3390 7.8388 116.9707 56.3773 29.4990 178.2000 9 K 3.4944 7.5221 121.9048 59.8941 32.6261 177.3709 10 A 4.2689 7.2900 121.0729 51.6370 15.9775 178.4830 11 K 4.4011 7.2278 123.8192 53.0778 32.3724 176.1852 12 R 3.9655 8.3498 123.4115 58.0638 30.5100 177.3204 13 T 4.5000 7.1112 107.8469 59.0649 67.8764 172.0005 14 P 4.3153 0.0000 0.0000 64.4804 32.4081 176.8971 15 K 3.9652 9.6967 118.4769 56.2399 31.0766 176.1465 16 F 4.8898 7.3621 115.0693 55.9103 42.5529 174.8977 17 K 3.8839 8.8398 125.3665 58.5438 32.4955 179.2184 18 V 3.7051 7.4102 111.6649 65.0581 31.5818 177.6571 19 R 3.9844 8.3280 117.0479 59.1181 30.0649 176.9020 20 A 4.0209 7.5565 119.8336 52.4711 18.3933 176.1691 21 Y 4.9357 7.7996 120.3979 55.2580 40.9986 175.3261 22 T 4.1306 8.5101 116.2254 61.9147 68.1818 173.5679 23 R 4.9110 8.1213 126.7879 54.1573 33.7012 173.9253 24 C 4.5706 9.7378 122.3273 59.1819 32.0416 174.9052 25 V 3.6657 8.5863 126.2495 63.5564 31.7318 177.1527 26 R 4.3085 8.0923 119.5572 57.2722 30.7992 176.1372 27 C 4.6696 7.8909 109.2272 57.1263 30.5482 175.1896 28 G 3.8751 7.8607 108.1648 45.3612 0.0000 174.0901 29 R 3.8420 7.3068 119.7140 57.0405 30.1437 175.8082 30 A 4.4675 8.1213 126.6587 54.0965 20.2745 177.6004 31 R 3.9396 7.6477 114.9364 57.1428 31.6176 176.7516 32 S 3.6536 8.6741 114.3462 59.6552 59.9382 172.5024 33 V 5.2226 7.1929 112.0364 58.1658 32.6005 174.8392 34 Y 4.0108 9.0971 122.0589 58.3503 38.4236 177.7526 35 R 3.9692 9.0787 124.3700 59.5235 30.3501 178.6875 36 F 3.8560 8.4098 117.8403 60.5768 39.0603 175.5669 37 F 4.8430 8.3510 116.5743 55.9682 41.0152 176.6830 38 G 4.1243 8.6643 108.4520 45.8080 0.0000 173.1121 39 L 4.9096 7.5697 118.7454 53.1479 43.6928 175.7099 40 C 4.9454 8.3421 116.6499 57.4362 32.1548 174.8600 41 R 3.6619 9.1670 120.4425 59.7958 28.5691 179.1774 42 I 3.7602 7.6178 119.6633 64.3637 37.3713 177.5643 43 C 4.1488 8.0174 116.9681 62.9001 27.9835 175.5981 44 L 3.5575 7.9914 122.0379 58.1833 41.2459 178.9575 45 R 3.6466 7.0979 116.6551 59.5406 30.4627 177.8763 46 E 4.1214 8.3213 118.3857 59.5724 29.5544 179.2929 47 L 3.9351 8.1057 118.5415 57.8986 41.5258 179.2863 48 A 3.9067 7.5237 119.3593 55.8752 18.2420 179.1744 49 H 4.3366 7.6613 112.9768 58.8469 28.8224 177.9282 50 K 4.1727 7.8043 119.2582 59.8121 32.3725 177.6841 51 G 4.0094 8.1679 104.8831 45.7457 0.0000 175.3940 52 Q 4.0059 8.0748 115.7757 56.5047 28.1680 176.0134 53 L 4.7076 7.7116 118.3814 51.9361 43.5159 174.5875 54 P 4.1605 0.0000 0.0000 64.0555 31.7157 179.0648 55 G 4.1154 8.9869 109.7505 46.6526 0.0000 173.6248 56 V 3.5214 8.2016 119.3231 63.3342 31.2812 174.7471 57 R 4.5818 8.1719 126.1534 53.9437 33.1996 174.5740 58 K 4.2077 8.4200 119.2129 54.9668 31.6733 177.2835 59 A 4.1409 8.5434 127.0976 52.3371 18.9728 176.7654 60 S 4.8630 8.5453 109.0666 57.8972 64.4834 176.8291 61 W 4.8672 8.7642 124.6877 56.8730 27.8268 174.6648 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 2 A 8.26 4.34 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.30 4.27 0.00 1.99 1.86 0.00 3.17 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 4 K 9.30 3.66 0.00 1.82 1.90 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.48 7.81 5 A 8.10 3.92 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 6 L 8.69 4.74 0.00 1.85 1.76 0.95 0.63 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 7 I 8.51 4.33 1.89 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 1.39 1.11 0.93 0.00 0.00 8 E 7.84 4.34 0.00 2.26 2.18 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 2.45 2.17 0.00 9 K 7.52 3.49 0.00 1.52 1.79 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.68 1.09 7.81 10 A 7.29 4.27 1.24 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 0.00 0.00 0.00 11 K 7.23 4.40 0.00 1.95 1.64 0.00 1.62 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.51 7.81 12 R 8.35 3.97 0.00 1.81 1.98 0.00 3.34 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 13 T 7.11 4.50 4.19 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 0.00 0.00 1.17 0.00 0.00 14 P 0.00 4.32 0.00 2.39 2.22 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 15 K 9.70 3.97 0.00 1.68 1.55 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.77 1.19 7.81 16 F 7.36 4.89 0.00 3.15 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 17 K 8.84 3.88 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.48 7.81 18 V 7.41 3.71 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 0.74 0.00 0.00 0.96 0.00 0.00 19 R 8.33 3.98 0.00 2.07 2.17 0.00 3.55 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 20 A 7.56 4.02 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 21 Y 7.80 4.94 0.00 3.04 2.91 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 22 T 8.51 4.13 4.30 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 1.30 0.00 0.00 23 R 8.12 4.91 0.00 1.88 1.77 0.00 3.35 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 24 C 9.74 4.57 0.00 3.16 2.91 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 25 V 8.59 3.67 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 0.81 0.00 0.00 0.96 0.00 0.00 26 R 8.09 4.31 0.00 1.81 2.00 0.00 3.18 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 27 C 7.89 4.67 0.00 3.11 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 28 G 7.86 3.88 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 0.00 0.00 0.00 29 R 7.31 3.84 0.00 2.06 1.88 0.00 3.16 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 30 A 8.12 4.47 1.27 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 0.00 0.00 0.00 31 R 7.65 3.94 0.00 1.83 1.90 0.00 3.37 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 32 S 8.67 3.65 0.00 4.08 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 33 V 7.19 5.22 2.20 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 1.35 0.00 0.00 1.06 0.00 0.00 34 Y 9.10 4.01 0.00 3.24 3.23 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 0.00 0.00 0.00 0.00 35 R 9.08 3.97 0.00 1.95 2.03 0.00 3.18 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 36 F 8.41 3.86 0.00 3.00 2.99 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 37 F 8.35 4.84 0.00 3.20 3.08 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 0.00 0.00 0.00 38 G 8.66 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 0.00 0.00 0.00 39 L 7.57 4.91 0.00 1.81 1.57 0.83 0.84 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 40 C 8.34 4.95 0.00 3.20 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 41 R 9.17 3.66 0.00 2.00 2.55 0.00 2.82 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 42 I 7.62 3.76 1.86 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 1.63 0.69 0.90 0.00 0.00 43 C 8.02 4.15 0.00 3.07 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 44 L 7.99 3.56 0.00 1.34 1.63 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.10 3.65 0.00 1.85 2.09 0.00 3.31 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 46 E 8.32 4.12 0.00 2.10 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 2.33 2.63 0.00 47 L 8.11 3.94 0.00 1.58 1.69 0.91 0.77 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 48 A 7.52 3.91 1.21 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 0.00 0.00 0.00 49 H 7.66 4.34 0.00 3.39 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.80 4.17 0.00 1.86 1.88 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.64 7.81 51 G 8.17 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.07 4.01 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 53 L 7.71 4.71 0.00 1.59 1.68 0.43 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.16 0.00 2.25 2.05 0.00 3.89 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 55 G 8.99 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 0.00 0.00 0.00 56 V 8.20 3.52 2.29 0.00 0.00 0.00 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 1.22 0.00 0.00 57 R 8.17 4.58 0.00 1.89 1.76 0.00 3.28 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 58 K 8.42 4.21 0.00 1.81 1.80 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.40 7.81 59 A 8.54 4.14 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.55 4.86 0.00 3.90 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 61 W 8.76 4.87 0.00 3.39 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