NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4653 8.3049 120.5945 55.7754 32.8866 174.5669 2 Q 4.2257 8.5156 125.0900 52.1849 31.1820 172.7805 3 K 5.0180 8.0168 118.8431 55.8346 36.4996 175.2480 4 G 4.3024 8.7510 107.0005 46.1362 0.0000 171.4476 5 R 5.1672 8.6528 119.7190 54.0843 33.2977 175.3394 6 V 4.0241 8.8480 127.3092 63.3285 31.9711 176.7821 7 K 4.3586 9.1261 128.6845 58.8315 32.8553 177.2794 8 W 4.7047 7.6785 113.4778 55.9375 30.1243 173.1429 9 F 4.3946 8.6761 121.5426 56.7722 41.2383 173.9725 10 N 4.4441 8.2250 128.1791 52.2403 37.4966 174.9686 11 A 4.1554 8.4570 129.0268 55.0194 18.9116 178.5604 12 E 4.0219 8.2168 115.5388 58.9927 29.8114 177.6001 13 K 4.2432 8.2413 115.4262 55.9919 32.7024 176.9538 14 G 3.9317 8.8021 107.9623 45.9194 0.0000 172.5735 15 Y 4.6466 6.4335 115.1760 56.0220 41.5167 173.8896 16 G 3.4826 7.9550 105.9483 45.6281 0.0000 171.7175 17 F 5.0161 7.9052 117.0918 55.6307 43.6793 174.0395 18 I 4.7467 8.5692 122.6455 59.5372 39.7329 174.3350 19 E 5.0622 9.2368 128.1046 54.6296 31.1881 174.9864 20 R 5.0389 8.3937 124.2014 54.0410 34.1034 174.9641 21 E 4.0184 8.9529 122.6812 57.5545 29.6727 177.0214 22 G 3.9229 9.2527 111.6388 46.0418 0.0000 171.7028 23 D 4.6996 7.6600 118.0040 52.4635 44.6149 174.6765 24 T 4.2200 8.1832 110.7601 61.2082 69.5165 173.9231 25 D 4.9007 8.4429 122.0549 54.5162 42.6316 175.3083 26 V 4.5861 8.7362 120.2221 60.8449 34.6965 174.7567 27 F 4.0338 9.0315 130.2189 58.1535 40.8833 173.9575 28 V 4.3529 7.2583 123.8860 60.1036 34.5551 173.9256 29 H 5.1193 8.3606 123.7875 54.0812 32.3953 174.7512 30 Y 4.2885 8.8388 121.5297 60.1546 37.8996 178.6081 31 T 3.6549 6.8374 108.7122 63.2764 69.2077 174.8476 32 A 4.1363 7.8929 125.0490 53.4497 19.0464 176.5144 33 I 4.3621 7.2748 117.2342 60.5826 37.8707 176.3219 34 N 4.7994 9.2919 126.6232 51.9405 37.8243 173.5229 35 A 4.5500 8.0427 123.2540 49.8644 21.5822 175.3270 36 K 3.8788 9.1277 123.2377 59.1947 32.1456 178.1144 37 G 3.9921 7.3334 102.2910 44.7870 0.0000 173.1320 38 F 4.6823 7.6219 118.5867 57.9628 39.3689 175.1307 39 R 4.6064 8.7160 121.6834 56.0807 32.0385 175.5031 40 T 4.3100 7.6032 105.9404 59.4645 71.9202 172.5543 41 L 4.3812 6.2074 120.5199 52.7202 44.4603 175.7737 42 N 4.9919 8.7323 117.5856 50.7853 41.3591 174.1009 43 E 4.1201 8.8195 121.8121 58.5335 29.7659 177.2615 44 G 4.0337 9.1842 115.5289 44.9034 0.0000 173.3327 45 D 4.5607 8.1596 120.6825 55.0799 42.0701 175.6555 46 I 4.7690 8.7785 124.4219 60.4114 38.9153 175.3374 47 V 5.1379 9.0387 120.0011 59.8023 35.7506 174.8204 48 T 5.1467 8.4374 113.6993 60.6025 71.7090 173.1638 49 F 5.3881 7.7186 116.0646 57.6440 41.7844 172.0231 50 D 5.2365 9.0105 118.8576 52.5567 44.4261 175.3713 51 V 4.7991 8.3284 119.8434 61.3883 33.5182 174.2246 52 E 4.6948 9.1807 129.3658 53.6976 31.4149 173.5146 53 P 4.7040 0.0000 0.0000 62.4179 32.2505 176.4883 54 G 4.2017 8.5616 109.4508 46.1655 0.0000 173.0395 55 R 4.7463 8.2045 120.4844 54.6321 33.7512 174.5860 56 N 4.2328 9.9268 114.9520 54.5702 37.3345 175.2616 57 G 3.9728 8.4975 105.4570 44.7578 0.0000 174.7948 58 K 4.1597 7.8864 119.2809 55.4639 32.6269 176.5523 59 G 4.1439 8.0657 108.4762 44.8915 0.0000 171.1055 60 P 4.9769 0.0000 0.0000 63.0359 32.2143 175.5918 61 Q 4.9238 8.9291 117.7561 54.4164 32.6622 173.7058 62 A 4.7231 8.7498 123.0600 52.2591 19.0069 177.3745 63 V 4.4183 9.1708 114.7583 58.9627 36.4120 174.9233 64 N 4.1506 8.4124 115.7976 54.4348 36.1263 174.9386 65 V 4.5413 7.7826 118.1600 62.7442 33.2816 175.2799 66 T 4.8940 8.8982 125.0076 61.6032 71.6772 173.5821 67 V 4.2487 8.6364 126.6897 62.8902 31.1419 175.6683 68 V 4.0836 8.6768 122.5416 62.7264 32.8996 176.4219 69 E 4.5444 8.0018 118.7132 53.6590 32.3567 173.3730 70 P 4.7942 0.0000 0.0000 62.2638 32.4180 176.3348 71 A 4.3122 8.5915 124.4838 51.8337 18.8718 178.0172 72 R 3.8911 8.6957 118.7860 56.8775 29.7661 176.8090 73 R 4.1718 8.3219 117.1523 56.5075 29.3382 174.6216 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 4.47 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 2 Q 8.52 4.23 0.00 0.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 3 K 8.02 5.02 0.00 1.73 1.71 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.23 1.38 7.81 4 G 8.75 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 0.00 0.00 0.00 0.00 5 R 8.65 5.17 0.00 1.88 1.78 0.00 3.13 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 6 V 8.85 4.02 2.20 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 0.98 0.00 0.00 0.82 0.00 0.00 7 K 9.13 4.36 0.00 1.83 2.13 0.00 2.17 0.00 0.00 1.90 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.52 7.81 8 W 7.68 4.70 0.00 3.42 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.68 4.39 0.00 2.88 3.08 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 0.00 0.00 0.00 10 N 8.23 4.44 0.00 2.55 2.08 0.00 0.00 6.64 8.42 0.00 0.00 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 A 8.46 4.16 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.22 4.02 0.00 1.90 2.07 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 2.28 2.38 0.00 13 K 8.24 4.24 0.00 1.81 2.11 0.00 2.03 0.00 0.00 2.11 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.42 7.81 14 G 8.80 3.93 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 0.00 0.00 0.00 15 Y 6.43 4.65 0.00 2.39 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 16 G 7.95 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 0.00 0.00 0.00 17 F 7.91 5.02 0.00 2.62 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 18 I 8.57 4.75 1.53 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.55 0.80 0.00 0.00 19 E 9.24 5.06 0.00 2.06 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 2.32 2.18 0.00 20 R 8.39 5.04 0.00 1.98 1.86 0.00 3.41 0.00 0.00 3.75 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.80 0.00 21 E 8.95 4.02 0.00 1.98 1.93 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 2.34 2.35 0.00 22 G 9.25 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 23 D 7.66 4.70 0.00 2.61 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 24 T 8.18 4.22 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 1.25 0.00 0.00 25 D 8.44 4.90 0.00 2.69 2.79 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 0.00 0.00 0.00 26 V 8.74 4.59 1.93 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 1.03 0.00 0.00 1.13 0.00 0.00 27 F 9.03 4.03 0.00 2.97 2.79 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 0.00 0.00 0.00 28 V 7.26 4.35 1.74 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 0.56 0.00 0.00 0.76 0.00 0.00 29 H 8.36 5.12 0.00 3.16 3.08 0.00 5.68 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.84 4.29 0.00 3.28 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 6.84 3.65 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 0.51 0.00 0.00 32 A 7.89 4.14 1.33 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 0.00 0.00 33 I 7.27 4.36 1.96 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.61 0.90 0.00 0.00 34 N 9.29 4.80 0.00 2.70 2.80 0.00 0.00 6.78 7.39 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 35 A 8.04 4.55 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 36 K 9.13 3.88 0.00 1.56 1.82 0.00 1.36 0.00 0.00 1.26 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.43 7.81 37 G 7.33 3.99 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 0.00 0.00 0.00 38 F 7.62 4.68 0.00 3.03 2.97 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 39 R 8.72 4.61 0.00 1.80 2.00 0.00 3.37 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 40 T 7.60 4.31 4.16 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 0.00 0.00 0.00 1.28 0.00 0.00 41 L 6.21 4.38 0.00 0.83 1.22 0.61 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.73 4.99 0.00 2.71 2.61 0.00 0.00 6.94 7.25 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 43 E 8.82 4.12 0.00 2.02 1.95 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 2.35 2.57 0.00 44 G 9.18 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 45 D 8.16 4.56 0.00 2.55 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.78 4.77 1.89 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 1.24 0.93 0.99 0.00 0.00 47 V 9.04 5.14 2.18 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 0.74 0.00 0.00 1.03 0.00 0.00 48 T 8.44 5.15 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 1.22 0.00 0.00 49 F 7.72 5.39 0.00 3.32 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 50 D 9.01 5.24 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.33 4.80 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 0.85 0.00 0.00 1.19 0.00 0.00 52 E 9.18 4.69 0.00 2.06 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 2.23 2.28 0.00 53 P 0.00 4.70 0.00 1.98 1.98 0.00 3.75 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 2.03 2.11 0.00 54 G 8.56 4.20 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 0.00 0.00 0.00 55 R 8.20 4.75 0.00 1.78 1.77 0.00 3.44 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.50 0.00 56 N 9.93 4.23 0.00 2.77 2.81 0.00 0.00 7.24 7.98 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 57 G 8.50 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 58 K 7.89 4.16 0.00 1.83 1.59 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.58 7.81 59 G 8.07 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.98 0.00 2.14 2.10 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 61 Q 8.93 4.92 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.04 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 62 A 8.75 4.72 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 63 V 9.17 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 0.79 0.00 0.00 1.04 0.00 0.00 64 N 8.41 4.15 0.00 3.05 2.87 0.00 0.00 6.43 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 65 V 7.78 4.54 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 0.76 0.00 0.00 0.91 0.00 0.00 66 T 8.90 4.89 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 1.24 0.00 0.00 67 V 8.64 4.25 2.35 0.00 0.00 0.00 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 0.87 0.00 0.00 68 V 8.68 4.08 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 0.74 0.00 0.00 0.99 0.00 0.00 69 E 8.00 4.54 0.00 1.87 1.85 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 2.30 2.34 0.00 70 P 0.00 4.79 0.00 1.96 2.02 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 71 A 8.59 4.31 1.26 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 0.00 0.00 0.00 72 R 8.70 3.89 0.00 1.93 2.00 0.00 3.03 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 73 R 8.32 4.17 0.00 1.88 2.00 0.00 3.07 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00