NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 T 4.1859 8.1631 115.2010 61.3132 67.3218 172.8142 9 G 3.6023 8.7292 118.1016 44.9114 0.0000 170.1582 10 K 4.1829 8.1901 127.1253 58.8446 33.3677 174.3623 11 K 4.2120 7.8468 119.8763 55.2530 33.0987 171.2409 12 N 4.1519 8.7038 131.4821 52.2563 36.0138 173.7640 13 L 4.0179 8.2695 124.7427 55.1254 43.1977 176.4880 14 V 4.2083 7.3907 112.8195 61.4669 34.4594 175.1475 15 V 3.1499 9.6297 114.7216 63.0870 30.6640 170.9663 16 N 4.7152 10.4628 115.8424 55.0225 37.4785 173.9154 17 S 4.5815 7.9617 115.2448 58.6068 67.3969 172.9645 18 V 4.8627 7.9931 114.7885 61.1935 32.7929 173.9937 19 I 4.7087 8.0379 117.4391 60.5457 40.6933 174.8095 20 R 4.5867 8.3127 120.7223 54.8181 33.1214 174.1817 21 R 4.3840 8.8982 125.1160 54.6736 32.4479 175.9045 22 G 4.0717 8.5817 112.5952 43.9543 0.0000 171.9159 23 K 4.5120 8.3029 124.2335 56.8056 33.5676 175.4326 24 A 4.6179 9.1453 124.8635 50.6135 23.3063 176.7109 25 R 3.9577 8.8287 113.3628 57.0443 27.5651 177.6848 26 A 4.3531 7.7277 120.4934 52.8312 18.6992 176.9331 27 D 4.0973 8.9193 114.4148 54.8321 40.4316 175.2597 28 G 3.6841 8.2506 105.6542 45.3924 0.0000 171.9336 29 G 3.8567 8.5172 111.1974 46.7432 0.0000 172.9764 30 V 3.2250 8.9844 128.0717 64.0629 30.1035 173.7673 31 G 4.4117 8.3096 105.4850 50.6068 0.0000 177.3981 32 R 3.2837 7.2603 108.3849 56.3168 31.4898 177.3977 33 K 4.1614 9.0935 116.9811 56.2748 33.2004 176.4243 34 T 3.4540 7.1840 113.2460 62.8124 68.5217 170.9398 35 T 4.3480 8.2958 118.8504 62.7197 69.7691 175.2183 36 G 4.0235 9.0102 114.3477 46.1987 0.0000 172.5107 37 I 4.8833 8.0384 121.6470 59.9457 39.9123 176.5012 38 T 4.5491 8.2213 109.6495 62.6901 72.4779 173.6871 39 K 3.7948 8.6351 122.7877 56.4082 30.5728 177.6602 40 R 3.6994 5.8400 124.8224 57.5344 29.6867 174.6057 41 V 4.3975 8.6349 112.9969 59.7800 33.7015 176.3780 42 Q 5.1355 8.1223 127.4157 56.8604 31.7172 171.5084 43 R 4.7516 8.9273 122.0499 55.1776 35.4241 174.8418 44 A 4.4866 7.6355 123.0833 50.1034 19.2551 174.4860 45 N 4.2742 8.0576 114.9846 54.8685 41.5395 172.8911 46 L 4.2908 7.7846 119.0788 55.0640 46.4842 175.2996 47 H 5.0772 8.3660 120.8901 55.7205 34.5004 176.6593 48 K 4.8830 9.3767 132.8313 56.2171 36.3782 172.2747 49 K 4.5993 7.5884 119.7674 55.0748 35.2704 174.8535 50 A 4.4614 6.3826 125.6846 51.7419 22.2169 176.6219 51 I 3.9534 7.7726 120.1901 61.0443 38.1392 175.7724 52 R 4.7334 7.4016 122.3446 56.2888 34.8818 173.5044 53 E 4.8645 8.3710 115.1833 56.3538 32.8678 174.7547 54 N 5.1314 8.0688 118.6905 52.5004 42.4270 176.1162 55 G 4.1472 9.1148 110.0074 45.3210 0.0000 175.6016 56 Q 4.7884 8.4963 115.9365 56.4333 31.6499 174.0072 57 V 4.5875 8.0230 117.2379 62.5821 30.8402 175.1025 58 K 4.4779 8.3231 123.2524 56.1122 36.6439 175.4560 59 T 4.9077 7.9857 109.2119 62.1754 70.4970 173.6326 60 V 3.8763 8.1521 115.5597 60.7873 33.6396 175.6196 61 W 3.9508 8.9926 121.6759 56.6569 30.4479 175.2908 62 L 4.6963 7.4522 121.2971 52.3680 43.8394 176.9202 63 S 4.2388 8.8278 120.1688 58.4507 63.7240 174.1199 64 A 3.9917 8.7993 130.8931 55.7760 18.3854 179.6665 65 N 4.3218 8.1759 113.4352 55.7899 38.6221 177.3015 66 A 4.0750 7.7600 122.3155 54.4846 18.8392 178.9929 67 L 3.8486 8.3606 119.4408 58.5168 41.9869 179.3384 68 R 3.9859 7.9610 116.7415 58.8603 30.1620 177.9144 69 T 4.3343 7.2090 114.2289 65.9973 69.0333 177.0695 70 L 4.6001 8.3952 119.3896 57.2333 41.6429 178.9984 71 S 4.2531 7.7649 113.7462 61.9247 63.0562 175.4693 72 K 4.5214 8.2742 127.6662 55.5165 30.6156 177.2409 73 G 3.6958 8.5996 117.5338 46.1240 0.0000 169.9213 74 P 4.7305 0.0000 0.0000 61.0984 33.0134 175.2580 75 Y 4.4007 8.2133 117.8641 56.7217 38.8741 175.5463 76 K 4.1989 8.8970 129.3309 56.8928 31.2799 176.6016 77 G 4.2189 7.9024 103.7517 44.3926 0.0000 172.6010 78 I 4.5766 7.7456 124.2141 58.9375 40.4911 175.2589 79 E 4.2183 8.7485 127.2636 56.6279 28.8195 177.1855 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 8 T 8.16 4.19 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 9 G 8.73 3.60 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 0.00 0.00 0.00 10 K 8.19 4.18 0.00 2.03 1.95 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.62 7.81 11 K 7.85 4.21 0.00 1.70 1.63 0.00 1.83 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.40 7.81 12 N 8.70 4.15 0.00 2.91 2.90 0.00 0.00 7.06 7.85 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 13 L 8.27 4.02 0.00 1.57 1.62 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.39 4.21 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 0.88 0.00 0.00 0.95 0.00 0.00 15 V 9.63 3.15 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 0.61 0.00 0.00 0.89 0.00 0.00 16 N 10.46 4.72 0.00 2.85 3.01 0.00 0.00 6.59 7.57 0.00 0.00 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 S 7.96 4.58 0.00 4.04 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 18 V 7.99 4.86 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 0.91 0.00 0.00 0.93 0.00 0.00 19 I 8.04 4.71 1.87 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 1.23 0.59 0.91 0.00 0.00 20 R 8.31 4.59 0.00 1.85 1.76 0.00 3.11 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 21 R 8.90 4.38 0.00 1.69 1.82 0.00 3.20 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 22 G 8.58 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 K 8.30 4.51 0.00 1.65 1.89 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 24 A 9.15 4.62 1.16 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 0.00 0.00 0.00 25 R 8.83 3.96 0.00 1.98 2.06 0.00 3.22 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 26 A 7.73 4.35 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 27 D 8.92 4.10 0.00 2.77 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 28 G 8.25 3.68 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 0.00 0.00 0.00 29 G 8.52 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 0.00 0.00 0.00 30 V 8.98 3.23 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 0.78 0.00 0.00 0.93 0.00 0.00 31 G 8.31 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.26 3.28 0.00 1.95 1.49 0.00 3.31 0.00 0.00 3.32 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 33 K 9.09 4.16 0.00 1.76 1.89 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.39 7.81 34 T 7.18 3.45 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 35 T 8.30 4.35 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 1.26 0.00 0.00 36 G 9.01 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 0.00 0.00 0.00 37 I 8.04 4.88 1.87 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 1.40 0.95 0.91 0.00 0.00 38 T 8.22 4.55 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 39 K 8.64 3.79 0.00 1.78 1.82 0.00 1.98 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.63 7.81 40 R 5.84 3.70 0.00 1.94 1.90 0.00 3.20 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 41 V 8.63 4.40 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 0.77 0.00 0.00 0.93 0.00 0.00 42 Q 8.12 5.14 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.77 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 43 R 8.93 4.75 0.00 1.70 1.78 0.00 3.16 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 1.56 1.61 0.00 44 A 7.64 4.49 1.12 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 45 N 8.06 4.27 0.00 2.77 2.68 0.00 0.00 6.68 7.78 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 46 L 7.78 4.29 0.00 1.53 1.44 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 47 H 8.37 5.08 0.00 3.14 2.49 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.38 4.88 0.00 1.81 1.62 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.29 7.81 49 K 7.59 4.60 0.00 0.79 0.74 0.00 0.98 0.00 0.00 0.81 0.00 0.00 2.46 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.69 7.81 50 A 6.38 4.46 1.16 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 0.00 0.00 0.00 51 I 7.77 3.95 1.83 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 1.46 0.92 0.93 0.00 0.00 52 R 7.40 4.73 0.00 1.64 2.09 0.00 3.34 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 53 E 8.37 4.86 0.00 2.25 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 0.00 2.07 2.12 0.00 54 N 8.07 5.13 0.00 2.76 2.66 0.00 0.00 6.84 8.28 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 55 G 9.11 4.15 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 0.00 0.00 0.00 56 Q 8.50 4.79 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 57 V 8.02 4.59 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 0.70 0.00 0.00 1.06 0.00 0.00 58 K 8.32 4.48 0.00 1.70 1.64 0.00 1.71 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.35 7.81 59 T 7.99 4.91 4.22 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 1.21 0.00 0.00 60 V 8.15 3.88 2.17 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 0.84 0.00 0.00 0.97 0.00 0.00 61 W 8.99 3.95 0.00 3.40 3.30 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 62 L 7.45 4.70 0.00 1.53 1.42 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.83 4.24 0.00 3.97 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 64 A 8.80 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.18 4.32 0.00 2.80 2.86 0.00 0.00 6.97 7.54 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 66 A 7.76 4.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.36 3.85 0.00 1.81 1.98 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.96 3.99 0.00 1.84 2.16 0.00 3.30 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 69 T 7.21 4.33 4.28 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 0.83 0.00 0.00 70 L 8.40 4.60 0.00 1.75 1.82 1.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.76 4.25 0.00 4.07 4.23 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 72 K 8.27 4.52 0.00 2.01 1.57 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.57 7.81 73 G 8.60 3.70 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 0.00 0.00 0.00 74 P 0.00 4.73 0.00 2.14 2.01 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.90 0.00 75 Y 8.21 4.40 0.00 2.89 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 76 K 8.90 4.20 0.00 1.97 1.99 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.51 7.81 77 G 7.90 4.22 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 0.00 0.00 0.00 78 I 7.75 4.58 1.87 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 1.23 1.70 1.01 0.00 0.00 79 E 8.75 4.22 0.00 1.90 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 2.35 2.33 0.00