NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5628 8.1476 118.3237 55.2592 33.5234 173.6166 2 Q 4.7469 8.3670 118.7197 54.5963 31.0262 169.5503 3 V 4.3057 9.5489 116.8363 59.3923 36.5526 175.4217 4 F 6.2767 8.1512 120.3846 55.2325 41.4759 174.4883 5 L 5.2070 8.7268 125.6366 53.2725 44.5253 174.5530 6 K 5.3085 9.0878 127.4499 54.3998 34.6794 175.6266 7 T 4.9283 8.1329 116.6514 59.9567 71.7154 174.8457 8 L 4.2218 8.6369 120.0943 56.6135 41.7636 178.0367 9 T 4.2507 7.9368 108.2141 61.5107 69.7228 175.5804 10 G 4.0047 7.8245 110.7141 45.2041 0.0000 172.6632 11 K 4.4600 8.0858 120.3979 55.0303 34.1758 174.9242 12 T 4.9302 8.4398 123.7308 62.2552 69.9509 174.3606 13 V 4.6129 8.5733 119.7668 59.6511 35.4521 175.2101 14 T 5.1496 8.6130 114.0008 60.6442 69.6356 173.4445 15 I 4.6309 8.6261 127.7879 59.5364 40.5855 174.6251 16 E 4.9603 8.6401 124.2392 55.2343 30.6017 175.8005 17 V 4.6544 8.5312 116.9357 59.8324 36.4441 174.3841 18 E 4.6997 9.0057 120.2161 53.8763 33.2991 175.7214 19 P 4.3432 0.0000 0.0000 65.5894 31.5487 178.0611 20 S 4.4840 7.8581 109.9604 58.4218 63.6349 173.7482 21 D 4.6024 8.4149 122.9658 54.2767 41.6566 175.4671 22 T 4.8074 8.1163 113.1100 60.2307 71.8960 175.8563 23 V 3.6867 8.5753 123.8922 66.6634 31.5119 178.0889 24 E 3.9635 8.3317 117.3879 59.7789 29.3502 178.5677 25 N 4.2734 7.7612 116.2040 56.8030 39.0134 176.3367 26 F 4.4562 8.1784 121.7817 61.7298 39.5247 177.3259 27 K 3.8410 8.3487 117.5527 59.2733 31.8606 179.2434 28 A 4.0309 7.9615 121.2188 55.0312 18.3100 179.8029 29 K 4.0008 8.1110 117.0689 59.7445 31.7193 179.6771 30 I 3.7378 7.7595 119.8950 64.3295 36.8980 178.2007 31 Q 4.1167 8.1604 120.4777 59.2313 28.7020 177.6628 32 D 4.3535 7.9585 116.6436 55.9088 41.2929 177.0930 33 K 4.3883 7.3338 116.7682 58.0060 33.6018 177.3472 34 E 4.4725 9.3531 117.4237 55.2618 30.5526 176.3518 35 G 3.8215 8.7285 106.7433 46.7025 0.0000 173.2431 36 I 4.4401 7.6278 119.6167 58.0054 39.6880 174.2181 37 P 4.3246 0.0000 0.0000 62.1936 31.9635 175.5821 38 P 4.4616 0.0000 0.0000 65.5955 31.4420 178.1028 39 D 4.3813 8.1374 116.3028 56.4900 41.4529 176.3119 40 Q 4.7060 8.6405 116.6226 55.6307 30.2723 174.8365 41 Q 4.9645 7.9154 118.8601 54.5544 30.7323 175.8175 42 R 4.4419 8.6774 121.5898 54.7983 34.3314 173.9554 43 L 4.9275 8.4656 124.8406 53.2006 43.6180 175.6982 44 I 4.6821 8.4681 125.0875 59.5435 39.9960 174.2846 45 F 4.8052 9.3356 130.4185 56.4788 41.7586 175.3126 46 A 3.3087 9.0912 129.4331 53.0879 16.1518 176.7237 47 G 4.3105 8.4162 110.3957 46.7458 0.0000 175.3925 48 K 4.1065 7.8725 118.6741 56.1334 32.6493 175.9025 49 Q 4.8742 8.4119 124.1672 54.3828 29.4327 174.9810 50 L 3.7581 8.0712 126.9094 55.7585 42.4100 177.1544 51 E 4.7377 9.1056 122.5268 54.8177 31.8504 176.8625 52 D 4.6247 8.9765 120.7849 55.7062 40.9667 177.2311 53 G 3.9412 7.9662 107.0690 45.3364 0.0000 173.4937 54 R 4.6326 7.7421 119.4207 54.7105 32.1315 174.2270 55 T 5.0432 8.6318 108.5209 59.6954 71.9919 175.0654 56 L 4.0201 8.4940 120.7057 57.9828 41.8025 180.2523 57 S 4.1763 7.9827 112.9222 61.0737 63.0994 176.1990 58 D 4.2046 7.5781 119.8459 56.9738 40.5156 176.6815 59 Y 4.4070 7.8524 114.5862 57.0427 38.2926 175.1692 60 N 4.0908 7.7090 116.0125 54.5515 37.8610 174.4359 61 I 3.9642 7.3728 116.8821 60.8109 38.5189 175.8502 62 Q 4.7624 7.7988 122.3707 53.4873 32.1736 175.3314 63 K 4.0317 8.1994 116.8326 58.0881 33.3082 177.1451 64 E 3.2156 8.1096 117.0984 56.9056 27.8823 175.0600 65 S 4.4907 7.1917 114.7151 58.6918 64.1816 173.2867 66 T 5.3078 8.5083 119.2337 61.9703 71.1483 173.6284 67 I 4.8176 8.7071 124.9792 59.9250 41.8140 173.8855 68 H 5.0658 8.3943 122.1032 54.1796 30.8080 173.5480 69 L 5.0324 8.3376 125.1284 53.5159 43.8153 175.5401 70 V 4.5115 8.5230 124.3892 61.2590 34.9756 176.1635 71 L 4.6685 8.5712 123.2153 54.7205 42.0349 173.8923 72 R 3.8015 8.4477 122.1742 56.0284 27.2906 175.6402 73 L 4.6981 7.6232 129.3983 55.5181 40.8689 176.7082 74 R 3.7088 8.0633 112.0098 58.4148 27.9467 176.6432 75 G 4.0625 7.9550 104.1318 44.4352 0.0000 173.9568 76 G 3.8332 8.8466 108.3842 45.4593 0.0000 174.0643 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 8.15 4.56 0.00 2.05 2.19 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 2.43 2.65 0.00 2 Q 8.37 4.75 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 3 V 9.55 4.31 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 0.60 0.00 0.00 0.86 0.00 0.00 4 F 8.15 6.28 0.00 3.01 2.84 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 5 L 8.73 5.21 0.00 1.89 1.57 0.90 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.09 5.31 0.00 1.64 1.52 0.00 1.58 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.19 7.81 7 T 8.13 4.93 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 1.27 0.00 0.00 8 L 8.64 4.22 0.00 1.66 1.76 0.91 0.87 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 9 T 7.94 4.25 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 G 7.82 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.46 0.00 1.85 1.68 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.45 7.81 12 T 8.44 4.93 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 13 V 8.57 4.61 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 0.88 0.00 0.00 1.07 0.00 0.00 14 T 8.61 5.15 4.36 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 1.35 0.00 0.00 15 I 8.63 4.63 1.97 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.84 0.99 0.00 0.00 16 E 8.64 4.96 0.00 1.83 1.86 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 2.24 2.33 0.00 17 V 8.53 4.65 1.74 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 0.32 0.00 0.00 0.69 0.00 0.00 18 E 9.01 4.70 0.00 2.01 1.73 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 2.17 2.19 0.00 19 P 0.00 4.34 0.00 2.13 2.06 0.00 3.53 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 20 S 7.86 4.48 0.00 3.95 3.94 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 21 D 8.41 4.60 0.00 2.81 2.54 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 0.00 22 T 8.12 4.81 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 1.22 0.00 0.00 23 V 8.58 3.69 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 1.06 0.00 0.00 1.07 0.00 0.00 24 E 8.33 3.96 0.00 2.08 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 0.00 2.43 2.41 0.00 25 N 7.76 4.27 0.00 2.99 2.87 0.00 0.00 6.96 7.60 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 26 F 8.18 4.46 0.00 3.11 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 27 K 8.35 3.84 0.00 2.00 1.81 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.57 7.81 28 A 7.96 4.03 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 29 K 8.11 4.00 0.00 2.23 1.99 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.73 7.81 30 I 7.76 3.74 2.10 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.94 0.89 0.00 0.00 31 Q 8.16 4.12 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 32 D 7.96 4.35 0.00 2.89 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 33 K 7.33 4.39 0.00 2.03 1.83 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.47 7.81 34 E 9.35 4.47 0.00 2.00 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 2.25 2.43 0.00 35 G 8.73 3.82 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 0.00 0.00 0.00 36 I 7.63 4.44 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.86 0.89 0.00 0.00 37 P 0.00 4.32 0.00 2.39 1.98 0.00 3.61 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 2.18 2.12 0.00 38 P 0.00 4.46 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.14 4.38 0.00 2.63 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 40 Q 8.64 4.71 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 41 Q 7.92 4.96 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.57 0.00 42 R 8.68 4.44 0.00 1.85 1.77 0.00 3.09 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 43 L 8.47 4.93 0.00 1.52 1.49 0.54 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.47 4.68 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.86 0.98 0.00 0.00 45 F 9.34 4.81 0.00 2.95 2.67 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 A 9.09 3.31 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 47 G 8.42 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.87 4.11 0.00 2.15 1.90 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.48 7.81 49 Q 8.41 4.87 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 50 L 8.07 3.76 0.00 1.59 1.54 0.34 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.11 4.74 0.00 2.04 1.91 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 2.47 2.42 0.00 52 D 8.98 4.62 0.00 2.67 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 53 G 7.97 3.94 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 0.00 0.00 0.00 54 R 7.74 4.63 0.00 2.12 2.00 0.00 2.33 0.00 0.00 2.90 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 55 T 8.63 5.04 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 56 L 8.49 4.02 0.00 1.67 1.61 0.64 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.98 4.18 0.00 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 0.00 58 D 7.58 4.20 0.00 2.82 2.21 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 59 Y 7.85 4.41 0.00 2.62 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 60 N 7.71 4.09 0.00 2.79 2.85 0.00 0.00 7.12 7.33 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 61 I 7.37 3.96 1.77 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.50 0.75 0.00 0.00 62 Q 7.80 4.76 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 63 K 8.20 4.03 0.00 1.87 1.88 0.00 1.60 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.44 7.81 64 E 8.11 3.22 0.00 2.13 2.16 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 2.29 2.24 0.00 65 S 7.19 4.49 0.00 3.87 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 66 T 8.51 5.31 4.31 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 0.00 0.00 0.00 1.29 0.00 0.00 67 I 8.71 4.82 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.99 0.98 0.00 0.00 68 H 8.39 5.07 0.00 2.93 3.18 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.34 5.03 0.00 1.56 1.63 0.89 0.84 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 70 V 8.52 4.51 2.06 0.00 0.00 0.00 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 0.98 0.00 0.00 71 L 8.57 4.67 0.00 1.64 1.69 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.45 3.80 0.00 1.94 2.02 0.00 3.35 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 73 L 7.62 4.70 0.00 1.72 1.63 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.06 3.71 0.00 1.93 2.00 0.00 3.18 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 75 G 7.96 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00