NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4366 8.1627 118.3250 55.2833 33.5226 173.3168 2 Q 4.7345 8.2355 120.9921 52.9495 31.0898 172.7911 3 I 4.6797 9.0798 119.8675 59.0627 42.3476 173.3485 4 F 5.4529 8.9935 120.4347 55.6821 42.6012 174.9272 5 V 4.8166 8.7864 120.9816 61.1094 34.7497 174.1211 6 K 4.8360 9.0283 130.6480 55.1314 33.3171 176.4991 7 T 4.4524 8.8716 119.1120 60.7477 69.8264 175.3899 8 L 3.9661 8.4267 123.4458 58.4170 42.0374 177.8149 9 T 4.0027 7.7770 105.4602 62.5417 68.7227 174.9496 10 G 3.9161 8.1523 111.2144 44.9049 0.0000 173.3314 11 K 4.2018 7.8595 122.1075 56.2213 33.5019 175.7059 12 T 5.0321 8.5654 124.7434 62.4761 69.2991 174.0445 13 I 4.7469 8.8069 120.8212 59.2738 40.9553 174.6461 14 T 4.9634 8.3892 112.7028 60.3785 71.0732 173.6286 15 L 4.6614 8.4253 124.1426 53.5100 46.1718 174.3691 16 E 4.8800 8.7417 126.5795 55.0605 30.4448 175.0348 17 V 4.7319 8.7781 119.8065 59.8252 36.2918 174.5677 18 E 4.7246 9.3235 120.7494 53.9609 32.2796 176.1406 19 P 4.2345 0.0000 0.0000 65.4656 31.5569 178.2786 20 S 4.4959 7.8499 109.9220 58.4461 63.9390 174.1140 21 D 4.4095 7.8545 123.2423 54.8627 41.2639 176.3449 22 T 4.7265 8.2107 113.7149 61.0521 71.4119 175.9434 23 I 3.7298 8.1799 122.5726 64.6654 37.0483 178.7583 24 E 3.9863 7.9238 118.1092 59.3904 29.1420 179.0645 25 N 4.3531 8.2782 116.6601 56.3004 38.5875 177.6552 26 V 3.6058 7.7431 119.7059 65.7492 31.6054 178.2288 27 K 4.1657 8.6773 119.8217 58.9487 31.8417 179.1379 28 A 4.0172 8.0892 120.9240 55.0942 18.3595 179.8705 29 K 3.9485 7.8359 116.9277 59.5071 32.1120 179.6972 30 I 3.7573 7.7706 120.2902 64.0899 36.8808 178.2506 31 Q 4.0710 8.0537 121.8109 58.9318 28.7612 177.7737 32 D 4.3639 7.9814 118.5906 57.2891 40.9363 178.3506 33 K 4.2699 7.7057 117.7642 57.3899 32.7504 176.7745 34 E 4.4853 8.5798 115.6364 55.1977 31.1322 176.9419 35 G 3.8765 8.5198 107.4417 45.2656 0.0000 173.6939 36 I 3.9712 7.3880 121.5516 59.7701 37.5856 173.7305 37 P 4.4391 0.0000 0.0000 61.9213 31.5749 176.1202 38 P 4.3332 0.0000 0.0000 65.1631 31.4490 177.6071 39 D 4.5841 8.0038 115.4574 54.1957 40.1169 176.2578 40 Q 4.4483 7.9240 120.7323 56.5505 30.3252 174.8624 41 Q 4.5824 7.7865 118.5655 55.8456 30.5671 175.1295 42 R 4.7505 9.0572 122.7585 54.4859 33.1098 174.5526 43 L 4.9756 8.4307 124.6206 53.5459 43.7558 175.8886 44 I 5.1207 8.8085 124.1442 59.5545 40.9936 174.3784 45 F 5.0681 9.0166 127.3760 57.1903 43.2376 174.0768 46 A 3.4193 8.7506 126.9245 53.1339 15.9133 177.7345 47 G 3.8772 8.3272 104.0900 47.3435 0.0000 174.1781 48 K 4.5520 7.9499 119.2482 53.8390 34.8136 175.2798 49 Q 4.4846 8.5899 125.2208 56.0731 29.5471 175.3737 50 L 4.0294 8.6962 127.1645 54.2297 43.0272 175.9334 51 E 4.6349 8.8309 121.6998 54.7195 31.2501 176.7923 52 D 4.3835 9.1780 124.1041 57.6909 41.1022 179.3840 53 G 3.7173 7.9832 105.8632 47.6129 0.0000 173.8539 54 R 4.3239 8.1598 119.9502 55.6677 31.3058 175.0054 55 T 5.1411 8.1328 107.6753 59.5281 71.6858 175.1205 56 L 4.0673 8.4421 122.6231 58.0606 41.9967 180.3085 57 S 4.1613 8.2541 113.2889 61.2660 63.1757 176.0778 58 D 4.1880 7.7215 120.4446 57.2586 40.5431 176.8472 59 Y 4.5399 7.9349 113.5675 57.0956 37.9730 174.7910 60 N 4.1029 8.0007 116.1693 54.2351 36.7559 175.3072 61 I 3.7228 7.5682 119.3976 60.4223 36.8633 176.2511 62 Q 4.4613 8.1335 125.0027 53.3645 30.5183 175.4371 63 K 4.0190 8.2877 117.8968 59.0662 32.4282 176.9040 64 E 3.9911 9.5462 120.6615 56.6785 28.0093 175.0172 65 S 4.5205 7.9336 115.9501 59.0657 64.2566 173.3022 66 T 5.1893 8.6877 119.3650 62.0902 70.1608 174.1007 67 L 4.8590 9.2107 127.1629 54.2724 44.0774 175.2947 68 H 5.2489 9.2866 118.7452 54.0646 31.4460 173.1796 69 L 5.0052 8.8187 125.7354 53.4847 43.3003 175.6260 70 V 4.5635 8.7054 125.9478 61.0995 34.7914 173.9862 71 L 5.2156 8.3011 125.2426 52.8650 43.9561 176.0996 72 R 4.1526 8.9819 124.1430 56.1576 30.6881 175.7388 73 L 4.7965 8.5511 126.0212 52.8471 44.4617 175.8504 74 R 4.7184 8.4392 118.5675 54.1049 32.8436 175.2575 75 G 3.7586 8.4423 106.1789 46.6818 0.0000 172.9743 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 4.44 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.69 0.00 2 Q 8.24 4.73 0.00 2.10 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 1.78 2.20 0.00 3 I 9.08 4.68 1.89 0.00 0.00 0.77 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 0.63 0.78 0.00 0.00 4 F 8.99 5.45 0.00 3.03 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 5 V 8.79 4.82 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 1.04 0.00 0.00 0.93 0.00 0.00 6 K 9.03 4.84 0.00 1.75 1.52 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.36 7.81 7 T 8.87 4.45 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 1.28 0.00 0.00 8 L 8.43 3.97 0.00 1.62 1.75 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.78 4.00 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 10 G 8.15 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 0.00 0.00 0.00 11 K 7.86 4.20 0.00 1.86 1.70 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 12 T 8.57 5.03 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 1.19 0.00 0.00 13 I 8.81 4.75 1.90 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 1.47 0.72 0.99 0.00 0.00 14 T 8.39 4.96 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 1.43 0.00 0.00 15 L 8.43 4.66 0.00 1.66 1.38 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.74 4.88 0.00 1.94 1.81 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 0.00 2.18 2.34 0.00 17 V 8.78 4.73 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.85 0.00 0.00 18 E 9.32 4.72 0.00 1.79 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 19 P 0.00 4.23 0.00 2.16 2.08 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 20 S 7.85 4.50 0.00 3.96 3.96 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 21 D 7.85 4.41 0.00 2.94 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 22 T 8.21 4.73 4.43 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 1.22 0.00 0.00 23 I 8.18 3.73 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.04 0.90 0.00 0.00 24 E 7.92 3.99 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 25 N 8.28 4.35 0.00 2.91 2.86 0.00 0.00 6.63 7.02 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 26 V 7.74 3.61 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.93 0.00 0.00 27 K 8.68 4.17 0.00 1.97 1.84 0.00 1.73 0.00 0.00 1.95 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.51 7.81 28 A 8.09 4.02 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.84 3.95 0.00 1.93 1.84 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.61 7.81 30 I 7.77 3.76 2.13 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 0.68 0.91 0.00 0.00 31 Q 8.05 4.07 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 32 D 7.98 4.36 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.27 0.00 1.78 1.87 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.46 7.81 34 E 8.58 4.49 0.00 2.03 1.92 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 2.22 2.36 0.00 35 G 8.52 3.88 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 0.00 0.00 0.00 36 I 7.39 3.97 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 1.42 1.06 0.91 0.00 0.00 37 P 0.00 4.44 0.00 2.17 1.97 0.00 3.60 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.33 0.00 2.17 2.10 0.00 3.58 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 39 D 8.00 4.58 0.00 2.78 2.78 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 0.00 0.00 0.00 0.00 40 Q 7.92 4.45 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.01 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 41 Q 7.79 4.58 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 42 R 9.06 4.75 0.00 1.80 1.82 0.00 3.11 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 43 L 8.43 4.98 0.00 1.56 1.55 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.81 5.12 1.90 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 1.27 1.05 0.92 0.00 0.00 45 F 9.02 5.07 0.00 3.00 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 46 A 8.75 3.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.33 3.88 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 0.00 0.00 0.00 48 K 7.95 4.55 0.00 1.97 1.68 0.00 1.84 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.35 7.81 49 Q 8.59 4.48 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 50 L 8.70 4.03 0.00 1.39 1.25 0.77 -0.21 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 51 E 8.83 4.63 0.00 2.09 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 2.30 2.39 0.00 52 D 9.18 4.38 0.00 2.75 3.02 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 53 G 7.98 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.16 4.32 0.00 2.21 1.86 0.00 3.19 0.00 0.00 3.03 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 55 T 8.13 5.14 4.46 0.00 0.00 0.00 0.00 0.00 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 56 L 8.44 4.07 0.00 1.91 1.72 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.25 4.16 0.00 4.00 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 0.00 58 D 7.72 4.19 0.00 2.56 2.43 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 59 Y 7.93 4.54 0.00 2.96 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 60 N 8.00 4.10 0.00 2.95 2.95 0.00 0.00 6.88 8.23 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 61 I 7.57 3.72 1.79 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.41 0.49 0.00 0.00 62 Q 8.13 4.46 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 63 K 8.29 4.02 0.00 1.82 1.82 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.51 7.81 64 E 9.55 3.99 0.00 2.17 2.40 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 0.00 2.42 2.30 0.00 65 S 7.93 4.52 0.00 3.68 3.66 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 66 T 8.69 5.19 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 1.22 0.00 0.00 67 L 9.21 4.86 0.00 1.57 1.62 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.29 5.25 0.00 3.04 3.21 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.82 5.01 0.00 1.61 1.57 1.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.71 4.56 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 1.02 0.00 0.00 0.94 0.00 0.00 71 L 8.30 5.22 0.00 1.55 1.55 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.98 4.15 0.00 1.77 1.84 0.00 3.20 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 73 L 8.55 4.80 0.00 1.60 1.53 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.44 4.72 0.00 1.85 1.84 0.00 3.13 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 1.48 1.60 0.00 75 G 8.44 3.76 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 0.00 0.00 0.00