NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4633 8.1627 120.6107 55.2008 33.9427 174.1032 2 Q 4.3946 8.5798 128.7490 54.3028 30.4308 173.2279 3 I 5.1141 9.2379 119.6062 59.2433 42.2264 173.5635 4 F 5.1530 8.9371 120.9243 55.7361 42.9051 174.5012 5 V 4.8646 8.9973 120.9669 61.0957 35.1188 173.9367 6 K 4.8674 9.4104 129.2836 55.2835 33.9603 174.8616 7 T 4.6450 8.5914 124.6178 62.6031 69.9566 176.9115 8 L 3.7427 7.9366 127.0415 58.0435 41.7090 178.8332 9 T 4.0650 7.6667 106.7524 62.0953 69.2663 175.1162 10 G 4.0327 8.4180 109.1259 44.8919 0.0000 173.6919 11 K 4.2652 7.9057 122.6065 56.3582 33.4735 175.4757 12 T 4.9790 8.5304 123.7319 62.0470 70.4791 173.9498 13 I 4.6648 8.7450 126.4182 59.6872 41.0111 174.3974 14 T 4.7209 8.3568 119.8391 60.2074 70.7506 172.9010 15 L 4.6742 8.2164 125.9478 53.0437 46.3420 175.2804 16 E 4.5705 8.7866 123.7648 56.4744 30.0513 176.4265 17 V 4.5857 8.4730 116.9693 59.9686 36.6377 174.3275 18 E 4.7774 8.7676 120.4661 54.1303 31.6071 176.3055 19 P 4.3675 0.0000 0.0000 65.8244 31.7664 178.7231 20 S 4.2183 7.9555 113.5711 60.3846 63.0413 174.2554 21 D 4.4534 7.7023 120.9848 53.8523 41.0285 175.9155 22 T 4.1096 8.5239 113.6825 62.2236 69.4417 174.5842 23 I 3.8642 8.1474 123.1252 64.5350 37.1168 178.3355 24 E 3.9393 8.2794 119.7767 59.2563 29.2534 178.0783 25 N 4.3419 7.7933 115.6399 56.9468 38.8400 176.7931 26 V 3.7093 7.6734 117.6572 64.8168 31.4064 177.8669 27 K 4.2533 8.2260 118.2704 58.6490 32.3342 178.1901 28 A 4.2807 7.5861 119.3752 54.2797 18.9278 179.6752 29 K 3.9294 8.3035 117.4589 59.6353 31.9804 179.5468 30 I 3.7765 7.5728 120.0558 64.0950 36.7767 178.2290 31 Q 4.2839 8.1348 122.2665 58.2939 28.6480 177.2430 32 D 4.3221 8.0744 117.8679 57.4924 41.2722 177.9434 33 K 4.2733 7.6323 116.4416 58.1616 32.5972 177.5886 34 E 4.5323 8.8147 114.7360 54.9532 31.8675 176.3587 35 G 4.2468 8.5940 105.9974 45.9374 0.0000 172.9790 36 I 4.3887 7.5530 120.9976 58.5631 37.5193 173.6156 37 P 4.4887 0.0000 0.0000 61.6295 32.1179 175.2393 38 P 4.4363 0.0000 0.0000 66.0675 31.5700 178.1603 39 D 4.3167 8.2648 115.9623 57.2356 41.3005 176.6397 40 Q 4.4834 7.6227 115.0358 55.7852 29.9347 174.8660 41 Q 4.8504 7.7949 122.3869 54.7208 30.9688 174.1586 42 R 4.8159 8.6365 126.0668 54.5080 33.3428 174.0438 43 L 5.2687 8.5087 124.8603 53.1037 45.4442 175.2044 44 I 5.1594 8.4984 121.5728 59.6255 41.4011 174.4838 45 F 4.6958 8.5137 127.8660 56.8927 42.5544 174.2375 46 A 3.3742 8.9401 128.3276 53.1841 15.7083 177.7623 47 G 4.0007 8.4685 108.9980 46.6595 0.0000 174.8584 48 K 4.4571 7.6361 119.0866 54.7020 33.4917 175.8540 49 Q 4.4769 8.4609 121.0247 56.3360 29.3598 175.1676 50 L 4.4416 8.2975 122.4596 53.1343 42.8969 175.6847 51 E 4.9917 8.9408 121.4162 53.9326 34.0263 175.1992 52 D 4.5316 8.7451 121.2670 54.6655 40.0812 175.2123 53 G 3.9709 8.8281 114.1421 46.1950 0.0000 174.2935 54 R 4.4571 7.4611 116.2877 54.3672 32.3109 174.9657 55 T 4.9057 8.5213 108.4025 59.4678 71.8575 175.0427 56 L 4.0900 8.1747 122.1696 58.1546 42.2245 179.9944 57 S 4.0896 8.0719 113.3346 61.4498 62.4721 175.9540 58 D 4.2382 7.6502 118.4465 57.4247 40.5031 176.8507 59 Y 4.6654 7.6981 113.8473 57.8941 37.8079 175.6523 60 N 4.4079 8.2289 115.4686 53.5160 36.7984 174.5883 61 I 3.2879 7.1950 118.8945 62.1017 37.7092 175.2821 62 Q 4.3573 8.4577 122.0653 53.9861 32.8734 172.8342 63 K 3.9659 8.0308 119.8453 58.1811 31.5285 175.4621 64 E 4.0402 9.1597 126.2367 56.8472 28.7863 174.1047 65 S 4.3075 8.1257 114.0455 59.0821 63.7754 173.4587 66 T 4.9086 8.7519 122.1702 62.6160 69.5256 174.3418 67 L 4.9442 8.6381 125.7164 53.2641 45.8183 174.9357 68 H 5.4049 8.8726 115.7442 54.1924 32.2637 173.0225 69 L 4.8733 8.5667 123.0872 53.3956 44.7072 175.3002 70 V 4.2284 8.3908 120.7334 60.4217 33.1767 175.2729 71 L 4.3962 8.5378 128.0182 55.3590 42.1482 175.0933 72 R 4.4539 9.5118 131.6974 56.4895 30.3206 176.3616 73 L 4.1266 7.6048 117.6485 54.6705 42.7519 175.4922 74 R 4.6327 8.3004 125.3254 55.5839 33.1211 173.2767 75 G 4.0483 8.6377 109.5146 43.3060 0.0000 173.8207 76 G 4.0080 9.1745 114.5403 45.5041 0.0000 173.0874 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 4.46 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 2 Q 8.58 4.39 0.00 2.25 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.64 0.00 0.00 0.00 0.00 0.00 2.49 2.26 0.00 3 I 9.24 5.11 1.85 0.00 0.00 0.81 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 0.53 0.91 0.00 0.00 4 F 8.94 5.15 0.00 3.05 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 5 V 9.00 4.86 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 1.05 0.00 0.00 0.93 0.00 0.00 6 K 9.41 4.87 0.00 1.88 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.44 7.81 7 T 8.59 4.64 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 1.22 0.00 0.00 8 L 7.94 3.74 0.00 1.81 1.71 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.67 4.06 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 1.22 0.00 0.00 10 G 8.42 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.91 4.27 0.00 1.94 1.70 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.44 7.81 12 T 8.53 4.98 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 1.47 0.00 0.00 13 I 8.74 4.66 1.87 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 1.11 0.75 0.88 0.00 0.00 14 T 8.36 4.72 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 15 L 8.22 4.67 0.00 1.58 1.42 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.79 4.57 0.00 1.79 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 2.27 2.34 0.00 17 V 8.47 4.59 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 0.73 0.00 0.00 0.94 0.00 0.00 18 E 8.77 4.78 0.00 2.07 1.82 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 2.22 2.36 0.00 19 P 0.00 4.37 0.00 2.20 2.28 0.00 3.68 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 2.06 1.97 0.00 20 S 7.96 4.22 0.00 3.87 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 21 D 7.70 4.45 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 4.11 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 23 I 8.15 3.86 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.33 0.91 0.00 0.00 24 E 8.28 3.94 0.00 2.05 1.97 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 2.39 2.39 0.00 25 N 7.79 4.34 0.00 2.87 2.94 0.00 0.00 6.84 7.59 0.00 0.00 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 V 7.67 3.71 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 1.04 0.00 0.00 0.99 0.00 0.00 27 K 8.23 4.25 0.00 1.89 1.85 0.00 1.85 0.00 0.00 1.01 0.00 0.00 3.17 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.56 7.81 28 A 7.59 4.28 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 8.30 3.93 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 30 I 7.57 3.78 1.86 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 1.39 0.85 0.91 0.00 0.00 31 Q 8.13 4.28 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.22 0.00 32 D 8.07 4.32 0.00 2.68 2.88 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 0.00 0.00 0.00 33 K 7.63 4.27 0.00 1.96 1.82 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.49 7.81 34 E 8.81 4.53 0.00 1.99 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 2.22 2.36 0.00 35 G 8.59 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 0.00 0.00 0.00 0.00 36 I 7.55 4.39 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 1.47 0.61 0.91 0.00 0.00 37 P 0.00 4.49 0.00 2.22 2.17 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 38 P 0.00 4.44 0.00 2.20 2.17 0.00 3.60 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 2.12 2.10 0.00 39 D 8.26 4.32 0.00 2.61 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 7.62 4.48 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 41 Q 7.79 4.85 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 42 R 8.64 4.82 0.00 1.92 1.71 0.00 3.10 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 43 L 8.51 5.27 0.00 1.58 1.51 0.91 0.91 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 44 I 8.50 5.16 2.02 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 1.12 0.86 1.00 0.00 0.00 45 F 8.51 4.70 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 46 A 8.94 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.47 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 48 K 7.64 4.46 0.00 1.97 1.71 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.34 7.81 49 Q 8.46 4.48 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.36 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 50 L 8.30 4.44 0.00 1.40 1.29 0.77 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.94 4.99 0.00 2.00 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 2.43 2.44 0.00 52 D 8.75 4.53 0.00 2.92 2.71 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 0.00 0.00 0.00 0.00 53 G 8.83 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 54 R 7.46 4.46 0.00 1.80 1.74 0.00 2.76 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 55 T 8.52 4.91 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 1.26 0.00 0.00 56 L 8.17 4.09 0.00 1.87 1.74 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.07 4.09 0.00 3.95 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 58 D 7.65 4.24 0.00 2.22 2.27 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 59 Y 7.70 4.67 0.00 2.97 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 60 N 8.23 4.41 0.00 3.05 3.06 0.00 0.00 6.92 7.09 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 61 I 7.20 3.29 1.81 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.46 0.61 0.00 0.00 62 Q 8.46 4.36 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 63 K 8.03 3.97 0.00 1.76 1.81 0.00 1.91 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.44 7.81 64 E 9.16 4.04 0.00 2.22 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 0.00 1.98 2.40 0.00 65 S 8.13 4.31 0.00 3.80 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 4.91 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 1.25 0.00 0.00 67 L 8.64 4.94 0.00 1.83 1.57 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.87 5.40 0.00 3.11 3.17 0.00 5.75 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 8.57 4.87 0.00 1.68 1.53 0.93 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.39 4.23 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 0.67 0.00 0.00 0.97 0.00 0.00 71 L 8.54 4.40 0.00 1.64 1.59 0.92 0.99 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 72 R 9.51 4.45 0.00 1.95 2.11 0.00 3.41 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 73 L 7.60 4.13 0.00 1.62 1.55 0.92 0.84 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 74 R 8.30 4.63 0.00 1.78 1.77 0.00 3.26 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 75 G 8.64 4.05 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 0.00 76 G 9.17 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