NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5516 8.1633 120.2780 54.6379 34.7726 175.7207 2 Q 4.8515 5.8593 122.4602 52.9354 33.0518 174.1923 3 I 4.8755 8.9046 115.8479 59.4104 42.8039 172.8190 4 L 5.0770 8.7400 123.8656 53.2233 44.5772 174.6815 5 F 4.8499 9.2604 128.4991 56.2007 41.8644 174.6251 6 N 4.0804 9.5046 127.6920 54.6495 36.0241 175.3502 7 D 4.4713 8.0028 113.4860 54.7937 39.9290 174.3146 8 Q 4.6192 7.5413 118.4953 53.6104 30.7174 174.8620 9 A 4.7781 8.4143 124.2858 52.5400 19.2992 176.4857 10 M 4.7955 9.0366 117.2799 54.3598 35.0235 173.5961 11 Q 5.1989 8.4758 119.1373 54.8664 31.1535 174.4988 12 C 4.7622 8.2426 115.7262 56.8737 32.8595 173.7079 13 A 4.0570 8.5423 122.4989 52.1974 18.5902 177.3623 14 A 4.2734 8.2873 122.9209 52.4563 19.7222 178.0374 15 G 3.9166 8.6162 105.9753 46.2299 0.0000 173.7976 16 Q 4.6783 7.6461 118.4568 54.7349 30.4086 175.4998 17 T 4.8425 8.6129 112.2381 60.5570 71.7112 176.2590 18 V 3.4842 8.5043 121.0272 66.3595 31.3589 177.4893 19 H 4.1715 8.4955 117.8728 59.5123 29.6701 177.0826 20 E 3.9181 8.3003 120.2805 59.2020 29.2780 179.1283 21 L 3.8546 8.0872 120.4658 58.2109 42.1040 179.0826 22 L 3.9188 8.1403 119.2286 57.6504 41.4777 179.4194 23 E 3.8791 8.2161 118.7016 59.3651 29.1845 179.0176 24 Q 3.9253 7.9793 118.5834 59.0994 29.2176 177.6925 25 L 4.1256 7.6320 116.3646 53.9214 41.9710 176.0545 26 D 4.3522 7.6214 117.3872 55.2395 40.1502 173.1052 27 Q 4.5100 8.0594 115.8384 53.9751 30.2538 175.9676 28 R 4.2354 8.3698 122.3127 56.2396 31.1553 176.2247 29 Q 4.5026 8.7142 122.6365 57.6515 29.7187 176.2023 30 A 4.1476 7.9408 120.8132 53.3962 18.9368 177.5257 31 G 3.8697 9.0359 109.6843 45.5328 0.0000 172.4241 32 A 5.3189 7.8310 120.1652 49.9281 21.8436 176.0372 33 A 4.9719 8.2466 120.2773 50.0621 23.2765 174.9321 34 L 5.1796 8.6529 119.4360 53.2412 46.0058 174.9684 35 A 5.3502 9.0119 126.3914 50.2113 22.8510 174.9724 36 I 4.7937 8.5644 121.2779 59.7978 40.6755 175.8653 37 N 4.2695 9.8961 126.0785 54.6953 36.4975 174.8900 38 Q 3.7161 8.3883 111.1199 56.4895 26.6808 173.6263 39 Q 4.6336 7.8353 116.7595 53.6806 31.9116 174.9930 40 I 4.3543 8.4793 123.3634 61.6306 38.0998 175.8036 41 V 4.3274 8.6344 126.7402 60.3778 32.8829 173.4805 42 P 4.2140 0.0000 0.0000 63.0137 31.9186 177.7044 43 R 2.0000 8.4569 123.3064 58.6801 29.4872 178.2248 44 E 3.9786 7.7858 115.3173 58.1312 29.8650 177.7078 45 Q 4.5223 8.1525 118.5880 55.8880 29.4688 177.2323 46 W 4.4490 8.1366 121.2584 59.6120 28.8232 177.9386 47 A 4.2186 8.2122 120.3430 54.0815 18.1102 177.7106 48 Q 4.5127 7.9135 112.0559 56.0221 31.3501 175.0151 49 H 4.2422 8.5055 119.1244 56.2522 30.7190 174.4244 50 I 4.5011 8.1812 127.5300 60.9129 37.9461 175.8434 51 V 3.9907 8.6563 128.0956 62.5266 32.2799 175.2903 52 Q 4.6511 9.4327 127.1309 53.5067 30.8805 174.5517 53 D 4.4751 8.6150 120.0641 56.4044 41.3938 177.0360 54 G 3.9503 9.5107 114.1273 45.7340 0.0000 173.1773 55 D 4.5885 8.0662 119.8898 54.1321 42.5068 175.5246 56 Q 4.9430 9.2343 121.4166 54.5797 30.7252 174.5964 57 I 4.9517 8.9676 125.7000 59.3146 40.5692 174.9142 58 L 5.0341 8.5087 125.0200 52.7031 45.2372 175.1465 59 L 5.1361 8.9852 126.1663 53.1557 44.1905 175.3496 60 F 5.1020 8.3303 120.2713 55.5773 41.9231 173.4371 61 Q 5.1629 8.6735 118.1178 54.0851 30.7536 176.1557 62 V 3.9572 8.3649 121.7027 61.9216 32.3740 175.5644 63 I 4.4434 8.4314 123.1935 59.7270 39.0994 175.3384 64 A 4.5759 8.5398 126.5170 51.8746 20.4732 176.5091 65 G 3.8669 8.0015 104.5105 45.4794 0.0000 174.0511 66 G 3.7464 8.2290 107.1448 46.2055 0.0000 173.5690 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 4.55 0.00 2.03 2.16 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 2.59 2.65 0.00 2 Q 5.86 4.85 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 3 I 8.90 4.88 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.96 0.94 0.00 0.00 4 L 8.74 5.08 0.00 1.78 1.54 1.01 0.81 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 5 F 9.26 4.85 0.00 3.05 2.89 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 6 N 9.50 4.08 0.00 2.77 2.82 0.00 0.00 7.09 7.94 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 7 D 8.00 4.47 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.54 4.62 0.00 2.33 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 9 A 8.41 4.78 1.23 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 0.00 0.00 10 M 9.04 4.80 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 11 Q 8.48 5.20 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.60 2.32 0.00 12 C 8.24 4.76 0.00 2.98 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 13 A 8.54 4.06 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.29 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 15 G 8.62 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 16 Q 7.65 4.68 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 17 T 8.61 4.84 4.49 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 0.00 0.00 1.33 0.00 0.00 18 V 8.50 3.48 2.23 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 0.38 0.00 0.00 0.92 0.00 0.00 19 H 8.50 4.17 0.00 3.47 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.30 3.92 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 2.39 0.00 21 L 8.09 3.85 0.00 1.70 1.75 0.80 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.14 3.92 0.00 1.63 1.64 0.38 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.22 3.88 0.00 2.09 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 2.19 2.27 0.00 24 Q 7.98 3.93 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 25 L 7.63 4.13 0.00 1.46 1.46 -0.03 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.62 4.35 0.00 2.76 2.68 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 0.00 0.00 0.00 0.00 27 Q 8.06 4.51 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.63 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 28 R 8.37 4.24 0.00 1.80 1.85 0.00 3.26 0.00 0.00 3.52 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 29 Q 8.71 4.50 0.00 2.30 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.75 2.51 0.00 30 A 7.94 4.15 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 31 G 9.04 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 32 A 7.83 5.32 1.36 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 0.00 0.00 33 A 8.25 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.65 5.18 0.00 1.17 1.34 0.49 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 35 A 9.01 5.35 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 36 I 8.56 4.79 1.88 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 1.20 1.22 0.97 0.00 0.00 37 N 9.90 4.27 0.00 2.80 2.88 0.00 0.00 7.13 7.70 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 38 Q 8.39 3.72 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 39 Q 7.84 4.63 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.98 0.00 0.00 0.00 0.00 0.00 2.60 2.45 0.00 40 I 8.48 4.35 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.84 1.01 0.00 0.00 41 V 8.63 4.33 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 0.86 0.00 0.00 0.86 0.00 0.00 42 P 0.00 4.21 0.00 2.07 1.92 0.00 3.87 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 2.13 2.12 0.00 43 R 8.46 2.00 0.00 1.07 1.30 0.00 2.34 0.00 0.00 2.71 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.50 0.00 44 E 7.79 3.98 0.00 2.07 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 2.19 2.35 0.00 45 Q 8.15 4.52 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 46 W 8.14 4.45 0.00 3.37 3.13 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 0.00 0.00 0.00 47 A 8.21 4.22 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.91 4.51 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 49 H 8.51 4.24 0.00 3.58 3.31 0.00 5.77 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.18 4.50 1.84 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 1.39 0.92 0.91 0.00 0.00 51 V 8.66 3.99 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 0.76 0.00 0.00 0.95 0.00 0.00 52 Q 9.43 4.65 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 53 D 8.61 4.48 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.51 3.95 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 0.00 0.00 0.00 55 D 8.07 4.59 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.23 4.94 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 57 I 8.97 4.95 1.82 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.99 0.81 0.00 0.00 58 L 8.51 5.03 0.00 1.65 1.56 0.81 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.99 5.14 0.00 1.41 1.42 0.79 0.70 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 60 F 8.33 5.10 0.00 3.11 3.04 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 0.00 0.00 0.00 0.00 61 Q 8.67 5.16 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 62 V 8.36 3.96 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 0.72 0.00 0.00 0.96 0.00 0.00 63 I 8.43 4.44 1.91 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 0.72 0.96 0.00 0.00 64 A 8.54 4.58 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 65 G 8.00 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 66 G 8.23 3.75 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 0.00 0.00 0.00