NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4869 8.3049 120.3280 55.7171 32.3825 174.6533 2 D 4.6252 8.0571 122.2439 52.8701 40.7957 173.2881 3 E 3.8412 8.1551 114.3806 57.1821 29.6504 176.6798 4 T 3.9088 8.1559 110.5972 64.0192 69.4525 174.1420 5 G 3.9714 7.2082 107.2553 46.9381 0.0000 172.6039 6 K 4.3258 7.5221 114.7064 56.6607 35.4928 176.9459 7 E 4.4853 7.6286 123.2598 55.0584 33.3268 173.3893 8 L 5.1469 8.5051 126.7202 53.3495 45.2476 175.3848 9 V 4.9506 8.7174 116.9507 59.5917 36.2142 173.9949 10 L 5.1861 8.8753 126.2349 53.2396 44.6073 175.0551 11 A 4.5178 8.8370 128.2805 51.9950 19.2171 177.9376 12 L 4.1049 9.0457 122.9289 56.1536 42.9501 176.3299 13 Y 4.7998 7.8927 113.7492 55.6658 41.3777 175.0464 14 D 4.9656 8.7567 119.9440 53.5224 40.9785 175.1302 15 Y 5.2174 9.1800 121.0645 56.4137 42.8849 173.3613 16 Q 4.8349 7.1336 120.5953 54.0634 32.0178 174.0674 17 E 4.3960 8.2733 119.0631 55.2705 30.3073 175.9534 18 K 4.1515 8.8126 124.9201 57.2479 33.2252 176.2737 19 S 4.8662 7.5650 113.5357 55.5874 65.5593 172.8950 20 P 4.4299 0.0000 0.0000 64.5392 31.6290 177.2414 21 R 4.1810 7.8595 119.4027 58.1548 30.6092 176.0613 22 E 4.9651 7.6791 116.9440 55.7728 30.5622 175.7256 23 V 4.6616 7.6989 112.4208 60.0677 35.3321 175.8828 24 T 4.6005 8.6235 120.7962 63.0153 69.3545 174.0085 25 M 5.1749 8.7025 122.9223 53.3486 35.2293 174.5021 26 K 5.0655 8.3797 117.2589 54.5004 36.8388 174.9592 27 K 4.2115 8.8573 121.1031 61.2504 32.3421 176.4497 28 G 4.0335 9.0608 113.2626 44.9385 0.0000 172.4240 29 D 4.7475 8.7308 120.6795 53.7456 42.9557 174.8206 30 I 5.0431 8.2733 123.6306 59.5904 39.5522 174.9683 31 L 4.8935 8.8877 125.7172 53.2190 46.3787 176.1370 32 T 4.6548 8.5211 118.7087 61.9668 69.4083 173.9261 33 L 4.1135 8.6178 130.2806 55.8561 41.8213 176.2466 34 L 4.2678 8.4938 129.0479 56.8982 43.3765 176.4144 35 N 4.8598 8.7080 118.5271 51.6143 42.1782 174.8273 36 S 4.2900 8.3040 120.4840 57.9104 63.5322 174.8768 37 T 3.8300 8.1152 118.0159 65.4425 67.0263 173.4781 38 N 4.9508 8.0355 118.2301 52.4764 40.4863 173.9126 39 K 4.7267 8.5962 118.1348 56.9317 34.5716 177.4754 40 D 4.2757 8.2015 117.8654 55.6785 42.3351 176.5369 41 W 5.2271 8.1488 120.0547 55.1533 30.3413 175.3479 42 W 5.1492 9.6343 126.2036 55.2085 31.1242 175.9797 43 K 4.6569 9.2062 124.7431 55.5321 32.7024 176.1898 44 V 4.9173 8.6692 118.3704 59.3668 35.9491 174.3340 45 E 5.1311 9.1570 123.3238 54.7306 32.4446 175.1656 46 V 4.8131 8.6493 118.2097 59.3937 36.3902 174.0197 47 K 4.6869 8.6078 122.3728 54.8491 34.3369 174.9754 48 I 4.4957 8.7768 128.3003 59.9033 39.9640 174.9817 49 T 4.9386 8.6854 125.0249 62.4781 69.0829 174.6116 50 V 4.3367 8.9591 127.4705 61.9886 33.7341 175.3942 51 N 4.2123 9.8014 125.0730 54.5883 35.9680 174.7653 52 G 3.8994 8.4880 101.2255 46.0082 0.0000 173.7842 53 K 4.3446 8.0936 119.8881 53.9545 34.0011 175.5541 54 T 4.4603 8.3344 115.3598 61.8003 69.4582 173.5521 55 Y 4.8376 9.1946 124.0519 56.0595 41.3940 174.4984 56 E 5.3483 8.4909 120.8547 54.8970 32.9682 175.5212 57 R 4.6589 8.1609 115.4807 55.4484 33.1488 173.2621 58 Q 5.0973 8.8150 119.4736 54.6263 30.7934 174.7897 59 G 4.6722 9.1923 108.8054 45.4723 0.0000 171.3576 60 F 5.3257 8.8384 118.7788 57.2124 40.8110 175.3626 61 V 4.9688 9.1905 114.4995 59.2261 36.9452 172.5063 62 P 4.0368 0.0000 0.0000 62.2434 31.0296 177.0912 63 A 3.3147 8.2167 128.0072 54.5541 18.1868 179.0820 64 A 3.8973 7.4796 117.1761 54.5544 18.6532 177.2964 65 Y 4.6201 7.9711 112.6304 58.2537 39.4713 175.3997 66 V 4.9610 7.6484 111.7440 60.1064 36.1303 174.2256 67 K 4.6803 8.8560 118.9474 55.5100 37.0287 175.5399 68 K 4.5170 8.6798 123.0734 56.2001 32.6007 176.5299 69 L 4.2617 8.9281 129.9500 57.5078 42.6468 176.5605 70 D 4.5790 7.9419 121.1357 53.3431 39.5226 175.4858 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 4.49 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 2 D 8.06 4.63 0.00 2.73 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.16 3.84 0.00 2.21 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 0.00 2.28 2.27 0.00 4 T 8.16 3.91 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 1.20 0.00 0.00 5 G 7.21 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 6 K 7.52 4.33 0.00 1.69 1.72 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.34 7.81 7 E 7.63 4.49 0.00 1.96 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 8 L 8.51 5.15 0.00 1.75 1.50 0.97 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 9 V 8.72 4.95 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 0.79 0.00 0.00 1.09 0.00 0.00 10 L 8.88 5.19 0.00 1.77 1.53 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.84 4.52 1.41 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 12 L 9.05 4.10 0.00 1.59 1.25 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.89 4.80 0.00 2.29 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 14 D 8.76 4.97 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.18 5.22 0.00 3.16 2.91 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 0.00 0.00 0.00 16 Q 7.13 4.83 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.28 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 17 E 8.27 4.40 0.00 1.98 1.99 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 2.26 2.26 0.00 18 K 8.81 4.15 0.00 1.70 1.85 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.43 7.81 19 S 7.57 4.87 0.00 3.87 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 20 P 0.00 4.43 0.00 2.17 2.16 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 21 R 7.86 4.18 0.00 1.91 2.06 0.00 3.27 0.00 0.00 3.52 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.73 0.00 22 E 7.68 4.97 0.00 2.06 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 0.00 2.50 2.31 0.00 23 V 7.70 4.66 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 0.84 0.00 0.00 1.04 0.00 0.00 24 T 8.62 4.60 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 1.30 0.00 0.00 25 M 8.70 5.17 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.75 0.00 26 K 8.38 5.07 0.00 1.84 1.94 0.00 1.56 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.45 7.81 27 K 8.86 4.21 0.00 1.70 1.94 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.68 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.42 1.39 7.81 28 G 9.06 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 29 D 8.73 4.75 0.00 3.01 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 30 I 8.27 5.04 1.90 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 1.37 0.80 0.94 0.00 0.00 31 L 8.89 4.89 0.00 1.62 1.56 1.03 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.52 4.65 4.34 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 1.19 0.00 0.00 33 L 8.62 4.11 0.00 1.61 1.49 0.66 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.49 4.27 0.00 1.61 1.57 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.71 4.86 0.00 2.67 2.54 0.00 0.00 6.79 7.28 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 36 S 8.30 4.29 0.00 3.34 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 3.83 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 1.29 0.00 0.00 38 N 8.04 4.95 0.00 2.96 3.21 0.00 0.00 7.10 6.89 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 39 K 8.60 4.73 0.00 1.79 1.82 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.53 7.81 40 D 8.20 4.28 0.00 2.42 2.22 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 41 W 8.15 5.23 0.00 3.30 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 42 W 9.63 5.15 0.00 3.27 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 43 K 9.21 4.66 0.00 1.71 1.44 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.55 7.81 44 V 8.67 4.92 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 0.76 0.00 0.00 1.03 0.00 0.00 45 E 9.16 5.13 0.00 1.91 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 2.33 2.39 0.00 46 V 8.65 4.81 2.12 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 0.73 0.00 0.00 0.97 0.00 0.00 47 K 8.61 4.69 0.00 1.73 1.69 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.51 7.81 48 I 8.78 4.50 1.97 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 1.26 0.46 0.95 0.00 0.00 49 T 8.69 4.94 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 1.24 0.00 0.00 50 V 8.96 4.34 2.29 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 1.07 0.00 0.00 0.94 0.00 0.00 51 N 9.80 4.21 0.00 2.97 2.90 0.00 0.00 7.18 7.68 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 52 G 8.49 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 53 K 8.09 4.34 0.00 1.92 1.29 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.49 7.81 54 T 8.33 4.46 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 55 Y 9.19 4.84 0.00 3.00 2.86 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 56 E 8.49 5.35 0.00 1.83 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 2.33 2.27 0.00 57 R 8.16 4.66 0.00 1.92 1.99 0.00 2.74 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 58 Q 8.82 5.10 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.74 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 59 G 9.19 4.67 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 0.00 0.00 0.00 60 F 8.84 5.33 0.00 2.95 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 61 V 9.19 4.97 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 0.89 0.00 0.00 1.15 0.00 0.00 62 P 0.00 4.04 0.00 1.44 1.19 0.00 2.88 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.00 63 A 8.22 3.31 -0.24 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 64 A 7.48 3.90 1.15 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 65 Y 7.97 4.62 0.00 2.90 3.04 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 0.00 0.00 0.00 0.00 66 V 7.65 4.96 2.29 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 0.77 0.00 0.00 0.98 0.00 0.00 67 K 8.86 4.68 0.00 1.70 1.71 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.40 7.81 68 K 8.68 4.52 0.00 1.96 1.79 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.67 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.43 1.53 7.81 69 L 8.93 4.26 0.00 1.77 1.76 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.94 4.58 0.00 2.79 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