NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5195 8.3049 118.8060 53.7474 33.7837 174.8475 2 I 4.1062 7.7346 120.0955 59.4306 37.8288 174.1198 3 F 5.0582 8.5907 120.6279 53.6121 41.9676 172.1448 4 P 4.4059 0.0000 0.0000 64.3004 31.3221 176.8712 5 G 3.9229 8.9516 112.0155 45.0392 0.0000 173.7551 6 A 3.8575 7.3255 121.6610 51.9063 19.8254 176.3815 7 T 4.9053 8.1358 115.7337 62.1904 70.9694 174.4562 8 V 4.8057 8.7154 118.0634 59.5819 36.7284 174.2406 9 R 5.1545 8.7662 122.5480 54.5163 33.1696 174.7792 10 V 4.3507 8.5200 126.5665 62.8986 32.4532 176.1009 11 T 4.5988 8.9013 117.4651 61.4703 70.0723 173.9280 12 N 4.6619 8.2373 122.7861 52.5820 38.7992 175.7646 13 V 2.2120 8.1044 126.1075 63.4311 31.5308 176.4490 14 D 4.6251 8.4136 119.7927 54.2445 41.3044 175.7135 15 D 4.9782 7.8644 120.4688 52.7307 42.6338 177.6577 16 T 3.6555 8.5553 119.4864 66.7296 68.5893 174.7187 17 Y 3.9368 7.4738 117.2566 57.3745 38.2832 174.4663 18 Y 4.3703 7.5877 120.8366 59.6196 39.0069 176.8640 19 R 3.7395 8.6858 124.6797 56.3918 28.9711 176.5116 20 F 4.3542 8.3660 117.6141 57.3621 40.3002 174.1371 21 E 5.3590 8.9641 120.2573 54.9627 32.3797 175.4095 22 G 4.0654 9.0188 109.5605 45.2358 0.0000 170.7696 23 L 4.9932 8.1638 119.5927 52.7546 43.7852 176.8908 24 V 3.8539 8.6743 125.0820 63.4394 31.8330 176.4226 25 Q 4.4011 9.1320 127.7821 57.9845 29.8607 176.2300 26 R 4.6094 7.3765 112.0712 55.4171 32.5248 174.3661 27 V 4.8137 8.0883 119.7716 61.2438 34.5845 174.9049 28 S 4.5440 9.4373 118.8766 58.8302 65.6878 174.7059 29 D 4.4427 9.8175 120.5942 55.6344 38.4644 174.7022 30 G 3.9661 8.4349 103.7721 45.7224 0.0000 173.5499 31 K 5.2856 8.1441 117.9033 54.3271 36.7793 175.0727 32 A 5.2013 9.1828 122.6816 50.3313 23.0531 174.9000 33 A 4.8662 8.8857 123.7888 50.7420 20.7984 176.3888 34 V 4.5440 9.2117 123.1167 60.8007 34.9097 173.8977 35 L 4.6801 8.3595 129.7555 53.4919 43.8491 174.8461 36 F 5.3007 8.6749 125.6570 56.1885 41.2475 174.8855 37 E 5.2648 8.7498 120.5280 55.2704 34.0457 175.4027 38 N 4.5390 9.9524 117.7140 53.9769 41.6685 175.6867 39 G 3.8749 8.3253 118.6909 47.1459 0.0000 173.3114 40 N 4.6701 9.1010 122.1506 52.9412 39.0335 174.2409 41 W 4.7762 8.2782 130.0103 56.2187 32.0984 174.3204 42 D 4.4287 7.0725 122.0401 52.4650 41.7313 174.6139 43 K 4.2395 8.0559 118.2627 54.9829 37.0848 174.5914 44 L 4.8877 8.3326 126.7126 53.3717 43.6079 175.5304 45 V 4.3819 8.6233 125.6792 61.3763 35.2790 173.9073 46 T 4.9279 8.1523 123.0508 62.1584 70.0362 173.9744 47 F 5.1644 9.2235 124.1109 55.5052 43.6088 174.9881 48 R 4.5193 9.3112 120.0105 55.7250 30.9117 178.1463 49 L 4.0150 8.6425 121.3854 58.0717 41.7359 179.5315 50 S 4.3794 8.1249 110.4473 59.8523 63.1313 174.0443 51 E 4.6694 8.4526 120.7265 56.3585 30.5177 175.2907 52 L 5.4006 8.0706 119.5371 52.7196 45.5577 175.8132 53 E 4.8188 8.8804 119.0543 54.2363 32.9685 174.9329 54 A 4.6150 8.6462 124.1659 52.4159 19.2700 176.8233 55 V 4.5732 8.2286 113.3403 59.4081 36.4076 175.4196 56 K 4.1572 8.5681 121.2894 55.5357 32.6352 175.8611 57 P 4.8058 0.0000 0.0000 62.4274 31.2354 176.1854 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 4.52 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 2 I 7.73 4.11 1.90 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 1.46 1.12 0.86 0.00 0.00 3 F 8.59 5.06 0.00 3.18 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 4 P 0.00 4.41 0.00 2.13 2.22 0.00 3.82 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 2.08 2.11 0.00 5 G 8.95 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 0.00 0.00 0.00 6 A 7.33 3.86 0.33 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 7 T 8.14 4.91 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 1.25 0.00 0.00 8 V 8.72 4.81 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 0.71 0.00 0.00 0.89 0.00 0.00 9 R 8.77 5.15 0.00 1.82 1.71 0.00 3.24 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 10 V 8.52 4.35 2.31 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 0.93 0.00 0.00 0.71 0.00 0.00 11 T 8.90 4.60 4.33 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 1.27 0.00 0.00 12 N 8.24 4.66 0.00 2.84 3.10 0.00 0.00 6.91 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 13 V 8.10 2.21 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 0.59 0.00 0.00 0.38 0.00 0.00 14 D 8.41 4.63 0.00 2.80 2.70 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 0.00 0.00 0.00 0.00 15 D 7.86 4.98 0.00 3.05 2.80 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 0.00 0.00 0.00 16 T 8.56 3.66 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 17 Y 7.47 3.94 0.00 2.95 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 0.00 0.00 0.00 18 Y 7.59 4.37 0.00 3.14 2.96 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 0.00 0.00 0.00 19 R 8.69 3.74 0.00 1.65 1.80 0.00 2.74 0.00 0.00 2.83 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 20 F 8.37 4.35 0.00 2.87 2.74 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 21 E 8.96 5.36 0.00 1.88 1.88 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 2.22 2.28 0.00 22 G 9.02 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.16 4.99 0.00 1.52 1.49 0.88 0.95 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 24 V 8.67 3.85 2.04 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 0.75 0.00 0.00 0.83 0.00 0.00 25 Q 9.13 4.40 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.43 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 26 R 7.38 4.61 0.00 1.82 1.95 0.00 2.89 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 27 V 8.09 4.81 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 0.97 0.00 0.00 0.95 0.00 0.00 28 S 9.44 4.54 0.00 3.97 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 29 D 9.82 4.44 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.43 3.97 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 0.00 0.00 0.00 31 K 8.14 5.29 0.00 1.80 1.77 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.55 7.81 32 A 9.18 5.20 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 33 A 8.89 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 34 V 9.21 4.54 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.98 0.00 0.00 35 L 8.36 4.68 0.00 1.63 1.33 0.81 0.82 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 36 F 8.67 5.30 0.00 2.88 3.27 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 37 E 8.75 5.26 0.00 1.88 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 0.00 2.17 2.23 0.00 38 N 9.95 4.54 0.00 2.97 3.01 0.00 0.00 7.20 7.50 0.00 0.00 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 G 8.33 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 9.10 4.67 0.00 2.81 2.93 0.00 0.00 6.64 7.68 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 41 W 8.28 4.78 0.00 3.43 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 42 D 7.07 4.43 0.00 2.48 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 43 K 8.06 4.24 0.00 0.85 1.33 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.10 1.64 7.81 44 L 8.33 4.89 0.00 1.48 1.44 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.62 4.38 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 0.34 0.00 0.00 0.91 0.00 0.00 46 T 8.15 4.93 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 1.18 0.00 0.00 47 F 9.22 5.16 0.00 2.93 2.94 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 0.00 0.00 0.00 48 R 9.31 4.52 0.00 1.96 1.90 0.00 3.19 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 49 L 8.64 4.02 0.00 1.76 1.76 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.12 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 51 E 8.45 4.67 0.00 2.20 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 2.36 2.38 0.00 52 L 8.07 5.40 0.00 1.46 1.45 0.96 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.88 4.82 0.00 2.00 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 2.34 2.22 0.00 54 A 8.65 4.61 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 55 V 8.23 4.57 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 0.69 0.00 0.00 0.95 0.00 0.00 56 K 8.57 4.16 0.00 1.75 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.47 7.81 57 P 0.00 4.81 0.00 2.04 2.00 0.00 3.77 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00