NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5471 8.3044 118.7975 55.0453 33.1581 174.0907 2 H 4.7484 8.3186 116.3091 54.5240 32.7335 170.9426 3 H 4.7737 7.9780 118.9346 54.6057 32.0132 171.7069 4 H 4.5043 8.5379 120.5219 55.0157 30.9828 173.9792 5 H 4.6138 8.0941 125.3673 54.5622 30.4486 173.7106 6 H 4.5297 8.5084 125.8345 54.8126 28.1521 175.2729 7 H 4.3340 8.5367 120.2836 54.7721 29.3527 175.1836 8 A 4.2392 8.4100 123.3377 52.6438 19.3559 176.3581 9 M 5.1357 8.4495 119.7964 53.9331 36.5059 174.1100 10 D 5.2152 9.2096 121.1366 52.5900 44.9230 175.3088 11 T 4.8828 8.3182 110.9470 61.5603 70.2693 173.5433 12 Y 5.0450 9.4659 124.2005 56.8633 42.0567 175.3095 13 K 5.2677 9.4430 125.0619 53.3912 36.0841 175.3936 14 L 4.7884 8.5326 124.1959 53.2347 44.7860 175.4285 15 F 4.8648 9.5584 127.0500 56.2995 40.4003 175.1828 16 I 4.4494 8.5147 126.3473 59.2143 39.3014 174.2746 17 V 4.2488 8.1813 129.1892 61.6757 30.1459 173.2964 18 I 4.3370 8.3644 125.0956 59.1687 40.8225 177.1201 19 G 4.0136 9.2532 118.8867 46.8618 0.0000 173.5041 20 D 4.6431 9.4321 119.8567 54.6795 42.5959 176.5354 21 R 4.5050 7.5958 118.4481 54.4232 31.6012 174.4915 22 V 4.6371 8.2875 124.6588 61.4243 33.0624 174.7234 23 V 4.4221 8.3025 128.0832 61.0066 34.1421 174.1600 24 V 4.4427 8.3619 127.4151 61.0963 33.2917 174.4512 25 V 4.3845 8.4202 128.9796 61.2254 33.4800 174.5254 26 T 5.2869 8.4003 117.4299 60.7642 71.5978 172.8334 27 T 4.7268 8.8127 116.7723 61.2735 71.6466 171.5413 28 E 5.4018 8.3665 120.1651 54.7771 32.3113 175.0424 29 A 4.6230 8.8692 121.5977 51.0673 22.6308 177.9669 30 V 3.7073 8.8386 119.1197 64.0959 31.9638 176.0255 31 D 4.7113 7.5119 118.1955 51.0483 43.0665 175.6933 32 A 3.4796 8.6037 120.2776 55.2371 18.2730 179.5191 33 A 3.9123 7.8581 118.6645 55.5773 18.4997 179.8984 34 T 3.6848 8.4280 114.3764 66.6029 68.4675 176.8828 35 A 3.4753 7.6174 122.7204 54.7068 18.1815 179.1860 36 E 3.0542 8.1815 118.1956 59.1070 29.6723 179.2264 37 K 3.7729 7.6326 118.2378 59.3430 32.0637 179.3998 38 V 3.4077 7.3972 118.2580 66.1904 31.3614 178.2107 39 F 4.5056 8.0622 120.0957 60.7347 38.5074 178.6740 40 K 3.8617 7.9938 123.8701 59.7298 31.5478 182.7780 41 Q 4.0986 8.0424 121.2538 59.0203 29.0235 177.5992 42 Y 3.9014 8.2992 120.5251 60.5679 38.8345 177.9772 43 A 4.0262 8.5041 122.0924 55.1859 18.3798 179.1617 44 N 4.2168 8.3300 115.7055 56.9924 38.8666 176.9065 45 D 4.3887 8.4434 119.1759 56.1546 40.7927 176.8904 46 N 4.7398 7.2790 114.9639 52.1024 39.1134 174.4741 47 G 3.8927 7.4571 105.2702 46.4502 0.0000 174.5614 48 V 4.0301 8.1868 119.2929 61.3001 32.3471 174.3762 49 D 4.9453 9.8145 126.2724 52.2101 43.6555 175.3575 50 G 4.3062 7.9615 110.4025 43.9188 0.0000 171.6586 51 E 4.9647 8.3413 119.3264 54.4166 31.7219 175.8236 52 W 5.7336 8.5566 119.2857 55.0439 31.6691 174.0805 53 T 4.8609 9.4097 110.0230 60.3355 72.4302 171.9579 54 Y 5.1755 8.4677 121.7908 56.0294 42.8338 173.1257 55 D 4.5744 8.2448 126.3584 52.3067 42.8420 175.9161 56 D 4.0099 8.4327 125.7543 56.4930 41.6460 178.1612 57 A 3.8783 8.0255 120.0828 55.0386 18.3122 177.9737 58 A 4.2169 7.8307 115.4893 51.9345 19.3529 177.0815 59 K 4.0465 7.7120 115.0478 57.8349 30.5489 174.5305 60 T 5.3544 7.7207 113.4214 61.9724 72.2362 173.8749 61 F 5.6242 9.9739 124.9523 56.3792 41.8618 174.9460 62 T 5.2928 9.3310 118.5262 61.8824 72.6557 172.8911 63 V 4.9427 8.9882 126.0851 61.4836 34.1792 174.3893 64 T 4.7433 9.2513 124.6142 60.9907 71.1565 174.4816 65 E 4.1915 8.7636 119.2852 56.4736 29.7592 175.0338 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 4.55 0.00 2.05 1.92 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 2.11 0.00 2 H 8.32 4.75 0.00 3.14 3.14 0.00 5.71 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 7.98 4.77 0.00 3.21 3.16 0.00 5.57 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.54 4.50 0.00 3.08 3.17 0.00 5.88 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.09 4.61 0.00 3.05 3.11 0.00 5.97 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.51 4.53 0.00 3.16 3.24 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.54 4.33 0.00 3.31 3.31 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.41 4.24 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 9 M 8.45 5.14 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 10 D 9.21 5.22 0.00 2.58 2.38 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 11 T 8.32 4.88 4.26 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 1.22 0.00 0.00 12 Y 9.47 5.04 0.00 3.08 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.44 5.27 0.00 1.39 1.62 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.21 7.81 14 L 8.53 4.79 0.00 0.27 0.58 0.72 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 15 F 9.56 4.86 0.00 3.12 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.51 4.45 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.53 1.00 0.00 0.00 17 V 8.18 4.25 2.13 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 0.79 0.00 0.00 0.98 0.00 0.00 18 I 8.36 4.34 1.91 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 1.26 1.31 1.03 0.00 0.00 19 G 9.25 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 20 D 9.43 4.64 0.00 2.68 2.73 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 0.00 0.00 0.00 21 R 7.60 4.50 0.00 1.87 1.79 0.00 3.09 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 22 V 8.29 4.64 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 0.99 0.00 0.00 0.98 0.00 0.00 23 V 8.30 4.42 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 0.89 0.00 0.00 0.96 0.00 0.00 24 V 8.36 4.44 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 0.09 0.00 0.00 0.73 0.00 0.00 25 V 8.42 4.38 1.68 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 0.63 0.00 0.00 0.70 0.00 0.00 26 T 8.40 5.29 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 1.18 0.00 0.00 27 T 8.81 4.73 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 0.48 0.00 0.00 28 E 8.37 5.40 0.00 1.98 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 2.13 2.20 0.00 29 A 8.87 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.84 3.71 2.19 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 0.79 0.00 0.00 1.04 0.00 0.00 31 D 7.51 4.71 0.00 2.97 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 32 A 8.60 3.48 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 33 A 7.86 3.91 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 34 T 8.43 3.68 4.25 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 1.10 0.00 0.00 35 A 7.62 3.48 0.70 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 36 E 8.18 3.05 0.00 2.02 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 0.00 1.97 1.72 0.00 37 K 7.63 3.77 0.00 1.91 1.73 0.00 1.64 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.55 7.81 38 V 7.40 3.41 1.67 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 0.79 0.00 0.00 0.79 0.00 0.00 39 F 8.06 4.51 0.00 2.52 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 3.86 0.00 1.76 1.81 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.31 7.81 41 Q 8.04 4.10 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.61 0.00 42 Y 8.30 3.90 0.00 3.19 3.20 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 43 A 8.50 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.33 4.22 0.00 2.82 2.92 0.00 0.00 7.27 8.40 0.00 0.00 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 D 8.44 4.39 0.00 2.47 2.57 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 0.00 0.00 0.00 0.00 46 N 7.28 4.74 0.00 2.45 2.60 0.00 0.00 6.98 7.83 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 47 G 7.46 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 0.00 0.00 0.00 48 V 8.19 4.03 2.19 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 0.81 0.00 0.00 0.97 0.00 0.00 49 D 9.81 4.95 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.96 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 51 E 8.34 4.96 0.00 1.97 1.84 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 2.28 2.38 0.00 52 W 8.56 5.73 0.00 3.66 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 53 T 9.41 4.86 4.29 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 1.22 0.00 0.00 54 Y 8.47 5.18 0.00 3.24 2.92 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 55 D 8.24 4.57 0.00 2.56 2.30 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 56 D 8.43 4.01 0.00 2.79 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.03 3.88 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 58 A 7.83 4.22 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 59 K 7.71 4.05 0.00 1.77 1.35 0.00 1.31 0.00 0.00 0.80 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.36 7.81 60 T 7.72 5.35 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 1.64 0.00 0.00 61 F 9.97 5.62 0.00 2.88 3.07 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 62 T 9.33 5.29 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 1.31 0.00 0.00 63 V 8.99 4.94 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 1.09 0.00 0.00 1.03 0.00 0.00 64 T 9.25 4.74 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 1.24 0.00 0.00 65 E 8.76 4.19 0.00 2.16 1.75 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 2.14 1.85 0.00