NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4394 8.3049 120.3528 54.8856 34.3972 175.4748 2 N 5.1175 7.5080 116.3932 50.7733 41.6139 172.2334 3 Q 3.9295 9.0735 119.3997 59.2869 30.4153 177.6573 4 N 4.1553 7.8410 114.1930 53.6390 38.5734 173.2729 5 L 4.6255 8.4994 117.1617 55.3666 42.3696 176.9824 6 Q 4.8550 7.4689 119.3103 55.9787 29.9886 178.2479 7 G 3.6374 8.1725 109.0886 47.7436 0.0000 174.9780 8 E 3.9385 8.2639 121.1512 58.8835 29.7150 178.4179 9 W 4.5846 8.3512 127.7476 60.9507 30.6533 177.1795 10 M 3.5681 8.1095 117.9429 58.4663 31.4823 178.1441 11 K 3.8448 8.1198 119.6772 59.6414 32.3344 178.6592 12 N 4.0834 8.4269 117.2031 55.9748 38.3170 176.7896 13 Y 3.6696 7.7777 121.6431 60.5603 38.8428 178.2231 14 E 3.7814 7.5507 118.2807 58.8423 29.6664 178.6687 15 E 3.8147 7.5413 120.8784 59.0029 29.6875 178.3377 16 L 4.0840 7.9777 120.6119 57.3347 42.2392 178.5324 17 K 3.6745 8.1639 120.1985 59.8051 31.6133 178.9958 18 S 4.1493 7.8853 114.9839 61.1159 62.6232 176.5884 19 F 3.8978 8.1028 123.6022 61.3525 39.1546 177.5291 20 V 3.9267 8.7646 118.3014 65.9609 31.1178 177.8073 21 R 3.8440 7.8432 117.3950 58.3311 29.8101 177.5157 22 K 4.0280 7.0598 117.6775 57.9509 33.0275 176.3748 23 Y 4.4209 7.8725 114.2509 56.7935 39.7490 174.1147 24 R 3.6733 8.7862 121.1665 56.5874 27.2562 175.2703 25 R 4.1754 8.7267 123.5712 55.3586 30.2251 176.1743 26 F 5.0073 7.4043 115.2182 54.0301 37.8380 173.5974 27 P 4.3063 0.0000 0.0000 65.3552 31.8452 178.0688 28 K 4.0179 7.6954 119.4971 58.5523 32.5587 175.4005 29 S 4.7828 8.5662 116.8966 58.5701 59.4451 170.6959 30 T 4.8869 7.8804 109.2778 60.8741 70.1931 174.7331 31 E 4.2884 8.1836 118.3472 56.0428 29.6678 176.3874 32 G 3.9031 7.6077 110.0581 47.5344 0.0000 175.8657 33 N 4.2470 8.0889 115.5540 56.2300 39.8613 177.0398 34 L 4.1318 7.6354 119.9764 57.4488 41.7067 179.5354 35 G 4.3728 7.9093 105.5625 47.8347 0.0000 175.8620 36 G 3.6751 8.5626 108.6843 47.0873 0.0000 175.6283 37 W 4.2235 8.5079 130.8528 60.5256 30.7295 177.6705 38 C 4.1494 9.0635 119.0907 62.6492 30.7955 175.1700 39 H 4.0653 8.0206 116.8326 59.3928 28.5273 177.6687 40 T 3.9786 8.0010 117.3838 66.5274 68.3099 176.6697 41 Q 3.6684 7.9567 121.5568 58.6714 28.8302 178.3104 42 R 3.9267 7.8399 119.5142 59.4321 30.1952 179.0535 43 K 4.0154 7.8321 117.5201 58.9974 31.9955 179.5350 44 M 3.9528 7.6681 119.1323 58.3957 31.7651 178.4744 45 R 3.8707 7.6352 117.3280 58.8558 30.3051 178.0350 46 K 4.0020 7.9745 119.0225 59.6630 32.3262 178.3394 47 Q 4.1148 8.2084 118.8998 56.9395 28.9523 176.6887 48 G 3.8305 8.0372 107.0160 45.5292 0.0000 173.8947 49 K 4.2691 7.6916 116.7941 56.2421 33.4603 176.8512 50 L 3.9251 7.5759 120.1793 54.6803 42.2823 175.2815 51 P 4.4795 0.0000 0.0000 61.8986 32.9210 177.5100 52 N 4.5690 8.7486 120.2509 56.2639 38.4082 177.3396 53 D 4.3526 7.9843 120.1256 57.3523 40.9150 178.4620 54 R 3.8984 7.8456 118.7380 59.3330 30.1874 178.3075 55 R 4.3083 8.5071 118.9325 59.5387 30.0319 178.3326 56 L 4.1689 8.6276 120.4776 58.1294 41.9437 178.7355 57 L 4.1645 8.4770 119.3732 58.1149 41.5967 179.6372 58 L 4.2850 8.2277 118.9255 57.7251 41.5079 179.0061 59 D 4.7680 8.3738 117.8407 57.4419 40.9976 178.4943 60 K 4.2052 8.5294 118.8086 58.8928 32.1748 178.5955 61 I 4.2026 7.4014 111.4324 61.1305 37.9565 176.5134 62 G 4.0680 7.6322 109.5755 45.5395 0.0000 173.7312 63 F 4.2369 8.5493 123.0796 56.8375 38.5105 175.3862 64 V 3.7910 7.4888 128.2407 60.9588 32.2112 176.4706 65 W 4.1485 8.7117 122.5682 56.8945 29.6478 177.8205 66 S 3.8756 8.0498 114.4161 57.9164 61.1923 171.6478 67 L 4.6605 8.0234 120.2574 53.6405 40.6825 176.1939 68 E 4.0592 8.4666 121.9034 58.5202 30.1376 176.5903 69 H 4.5750 7.9363 119.1193 54.9023 28.6890 173.7196 70 H 4.5400 8.3368 126.2576 55.0827 28.0070 173.0861 71 H 4.3704 7.8608 117.2909 55.4209 30.9767 171.1897 72 H 4.8322 8.4518 119.8353 54.0317 29.8047 175.4633 73 H 4.4662 8.8570 122.7896 57.0760 30.3886 174.1962 74 H 4.4181 7.9210 122.9192 57.1703 29.8352 172.4565 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 4.44 0.00 1.99 2.15 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 2.49 2.64 0.00 2 N 7.51 5.12 0.00 2.81 2.75 0.00 0.00 6.84 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 9.07 3.93 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.12 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 4 N 7.84 4.16 0.00 2.92 2.87 0.00 0.00 6.91 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.50 4.63 0.00 1.70 1.70 0.94 0.86 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 6 Q 7.47 4.86 0.00 2.45 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 7 G 8.17 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 3.94 0.00 2.12 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 0.00 2.50 2.44 0.00 9 W 8.35 4.58 0.00 3.44 3.33 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 0.00 10 M 8.11 3.57 0.00 2.24 1.97 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 11 K 8.12 3.84 0.00 1.89 1.83 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.57 7.81 12 N 8.43 4.08 0.00 2.38 2.04 0.00 0.00 6.44 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.78 3.67 0.00 1.43 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.55 3.78 0.00 2.01 2.01 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 2.42 2.19 0.00 15 E 7.54 3.81 0.00 1.98 1.96 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 2.18 2.23 0.00 16 L 7.98 4.08 0.00 1.67 1.50 1.06 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.16 3.67 0.00 1.16 1.52 0.00 1.16 0.00 0.00 1.37 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.23 7.81 18 S 7.89 4.15 0.00 3.92 3.85 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 0.00 0.00 0.00 0.00 19 F 8.10 3.90 0.00 3.36 3.25 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 20 V 8.76 3.93 2.32 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 1.29 0.00 0.00 1.41 0.00 0.00 21 R 7.84 3.84 0.00 2.00 2.08 0.00 3.39 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 22 K 7.06 4.03 0.00 1.30 1.46 0.00 1.49 0.00 0.00 1.14 0.00 0.00 2.50 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 0.97 7.81 23 Y 7.87 4.42 0.00 2.87 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.79 3.67 0.00 1.96 1.97 0.00 3.65 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 25 R 8.73 4.18 0.00 1.31 1.72 0.00 2.60 0.00 0.00 2.91 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.94 0.00 26 F 7.40 5.01 0.00 3.25 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.06 2.13 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 28 K 7.70 4.02 0.00 1.88 1.86 0.00 1.93 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.39 7.81 29 S 8.57 4.78 0.00 4.33 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 30 T 7.88 4.89 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 1.24 0.00 0.00 31 E 8.18 4.29 0.00 1.94 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 0.00 1.74 1.47 0.00 32 G 7.61 3.90 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 0.00 0.00 0.00 0.00 33 N 8.09 4.25 0.00 2.79 2.84 0.00 0.00 7.06 6.94 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 34 L 7.64 4.13 0.00 0.84 0.81 0.20 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.91 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 0.00 0.00 0.00 0.00 36 G 8.56 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 37 W 8.51 4.22 0.00 3.60 3.52 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 38 C 9.06 4.15 0.00 3.54 3.39 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 39 H 8.02 4.07 0.00 3.40 3.39 0.00 5.91 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.00 3.98 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 1.13 0.00 0.00 41 Q 7.96 3.67 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.04 5.36 0.00 0.00 0.00 0.00 0.00 1.80 2.19 0.00 42 R 7.84 3.93 0.00 2.02 1.96 0.00 3.35 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 43 K 7.83 4.02 0.00 1.86 1.81 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.49 7.81 44 M 7.67 3.95 0.00 1.89 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 45 R 7.64 3.87 0.00 1.85 1.96 0.00 3.37 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 46 K 7.97 4.00 0.00 1.82 1.89 0.00 1.84 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.56 7.81 47 Q 8.21 4.11 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 5.82 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 48 G 8.04 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 49 K 7.69 4.27 0.00 1.81 1.88 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.36 7.81 50 L 7.58 3.93 0.00 1.56 1.56 0.92 1.03 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 51 P 0.00 4.48 0.00 2.03 1.87 0.00 3.46 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.02 0.00 52 N 8.75 4.57 0.00 2.71 2.86 0.00 0.00 7.11 8.01 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 53 D 7.98 4.35 0.00 2.68 2.75 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 54 R 7.85 3.90 0.00 1.46 1.92 0.00 3.46 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.62 0.00 55 R 8.51 4.31 0.00 1.96 2.05 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.44 0.00 56 L 8.63 4.17 0.00 1.96 1.87 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.48 4.16 0.00 2.22 1.85 1.06 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.23 4.28 0.00 1.88 1.71 1.57 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.37 4.77 0.00 3.35 3.09 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 0.00 0.00 0.00 0.00 60 K 8.53 4.21 0.00 2.15 1.99 0.00 1.75 0.00 0.00 2.05 0.00 0.00 3.24 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.57 7.81 61 I 7.40 4.20 1.89 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 1.82 0.69 0.98 0.00 0.00 62 G 7.63 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 63 F 8.55 4.24 0.00 2.90 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 0.00 64 V 7.49 3.79 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 0.54 0.00 0.00 0.93 0.00 0.00 65 W 8.71 4.15 0.00 3.31 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.05 3.88 0.00 4.03 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 67 L 8.02 4.66 0.00 1.62 1.64 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.47 4.06 0.00 2.01 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 2.32 2.42 0.00 69 H 7.94 4.58 0.00 3.08 3.29 0.00 5.92 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.34 4.54 0.00 3.11 3.21 0.00 5.84 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 7.86 4.37 0.00 2.90 3.02 0.00 5.79 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.45 4.83 0.00 3.31 3.32 0.00 5.77 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 73 H 8.86 4.47 0.00 3.15 3.39 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 7.92 4.42 0.00 3.10 3.12 0.00 6.01 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