NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.2688 7.8827 121.0513 60.9573 40.1777 173.4553 2 V 4.5975 8.9460 127.6355 61.0113 33.4857 172.5880 3 C 5.3608 9.8091 125.9645 55.1647 44.8362 172.9261 4 H 4.9645 9.1200 118.9290 56.3190 29.1390 174.9814 5 T 4.7695 8.5457 115.5481 60.7323 70.3532 173.6481 6 T 4.3298 8.5295 117.0164 61.6649 69.1757 175.5734 7 A 4.1797 8.0669 125.8164 54.0188 18.7723 177.9008 8 T 4.6014 7.5917 104.9464 59.6978 71.2344 173.8965 9 S 4.4348 8.2403 116.4824 55.6971 64.3827 172.0769 10 P 4.5607 0.0000 0.0000 61.7858 32.1798 175.7503 11 I 4.2144 8.0096 119.4428 62.0732 37.5983 175.7934 12 S 4.7536 8.5626 117.8207 57.0033 67.2866 172.3521 13 A 5.0177 8.4721 122.0935 50.7011 19.8275 176.8510 14 V 4.5397 8.7509 115.8328 59.6276 36.1292 175.2993 15 T 4.5078 8.3594 119.4096 63.5306 68.8296 175.7009 16 C 4.6823 8.9093 124.7296 56.1067 35.6941 172.0096 17 P 4.5715 0.0000 0.0000 61.3248 32.0275 173.9052 18 P 4.3956 0.0000 0.0000 64.2406 31.5034 177.3057 19 G 3.9067 9.0337 110.6131 45.1631 0.0000 173.0328 20 E 4.5653 7.7143 118.3219 55.1869 29.4828 174.8838 21 N 5.0273 8.6776 120.0779 52.3715 39.7374 174.3769 22 L 4.9836 7.8914 117.9594 54.3762 44.5288 174.7263 23 C 5.5422 9.2079 117.6654 55.9484 37.5502 172.3494 24 Y 5.5502 8.2445 117.3732 55.9698 41.7847 173.7323 25 R 4.9777 9.2343 120.4705 54.5821 33.6758 173.5835 26 K 5.3759 9.5717 127.7199 55.0290 35.4507 174.5575 27 M 5.8078 9.7209 126.3825 52.5102 36.3406 174.3405 28 W 5.4492 8.0619 117.6213 55.8441 31.9988 173.5735 29 C 5.0180 9.1199 118.5788 56.1023 38.9676 173.0457 30 D 5.1172 8.4135 122.3062 50.9392 41.9456 175.9883 31 A 3.9084 8.7576 120.8349 55.1498 18.2360 178.3463 32 F 4.7719 8.8567 113.9892 57.4658 39.5727 177.1187 33 C 4.7245 8.2676 123.9424 59.2449 43.6077 175.8616 34 S 4.0161 8.2231 113.0986 60.7770 62.1901 174.7199 35 S 4.5357 8.1211 112.9200 59.4225 63.8188 174.9250 36 R 4.2457 8.5576 118.2546 55.4092 31.3821 176.7934 37 G 3.8170 8.0976 105.5779 43.8848 0.0000 172.6349 38 K 4.4455 8.0338 117.1008 55.9483 33.0355 177.7552 39 V 3.4950 8.4381 123.2857 62.8292 32.7225 174.9882 40 V 4.5799 7.9641 125.6909 60.9965 33.9469 173.9562 41 E 4.7865 9.2465 129.1115 54.3760 32.3875 174.4763 42 L 4.8296 8.5143 126.2748 53.0317 45.9231 176.5792 43 G 3.9653 6.8012 105.9601 46.8093 0.0000 171.3445 44 C 5.6077 8.7991 116.5034 55.8174 37.2336 173.1422 45 A 4.6087 8.4495 119.4960 51.7931 22.2412 177.6190 46 A 4.1539 8.8662 122.9434 54.1296 19.3522 178.3371 47 T 4.6589 7.3552 103.2343 59.2708 71.5740 174.2082 48 C 4.2960 8.6236 123.4373 55.8664 44.1463 171.7479 49 P 4.2892 0.0000 0.0000 62.3531 31.4799 176.2875 50 S 4.0778 8.4008 117.1046 58.1460 63.4977 173.3309 51 K 4.2504 8.3171 125.3912 54.4972 33.1585 176.1415 52 K 4.2163 8.0540 126.0937 54.8763 32.9578 176.1693 53 P 4.2336 0.0000 0.0000 65.8695 31.1970 177.4625 54 Y 4.4451 7.6500 113.3379 57.9526 38.7397 175.1203 55 E 4.6953 6.9719 120.0820 55.3923 31.5353 175.2571 56 E 4.6934 9.0565 121.8357 54.5400 32.5125 174.6984 57 V 5.1085 8.5035 125.8092 61.4971 35.0742 174.5390 58 T 4.7533 9.0034 122.8946 62.0217 72.2831 172.0727 59 C 5.7206 9.0213 123.4189 55.2940 40.9721 172.1153 60 C 5.2461 9.1933 117.2959 53.3389 45.6804 173.9773 61 S 4.9131 8.5720 111.4418 58.1600 63.3322 173.7153 62 T 4.6877 7.6801 109.4187 60.0700 71.4034 172.6543 63 D 4.6310 8.7582 122.1574 56.5607 41.3902 176.7696 64 K 3.7607 9.1869 122.3295 57.5141 30.2864 174.2138 65 C 4.5892 7.9906 111.8401 56.2286 42.6753 173.1284 66 N 4.9598 7.7062 117.4844 51.3356 36.6529 172.2980 67 P 4.1642 0.0000 0.0000 62.8880 33.0412 176.2229 68 H 4.2749 8.2875 118.7446 55.2860 30.4529 174.2953 69 P 4.1527 0.0000 0.0000 65.8538 31.2083 177.3504 70 K 4.4553 8.3235 114.8050 56.4699 31.7662 176.1256 71 Q 4.5917 8.0647 117.0772 54.6703 32.9135 174.3492 72 R 4.5538 8.1431 118.5001 53.8781 31.9278 174.8234 73 P 4.5529 0.0000 0.0000 63.0067 32.3348 176.6936 74 G 4.0046 8.5139 106.9843 45.8016 0.0000 173.4258 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 I 7.88 4.27 1.88 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 1.23 1.70 0.93 0.00 0.00 2 V 8.95 4.60 2.05 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 0.83 0.00 0.00 0.91 0.00 0.00 3 C 9.81 5.36 0.00 2.82 2.85 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 4 H 9.12 4.96 0.00 3.24 3.18 0.00 5.61 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 5 T 8.55 4.77 4.21 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 0.00 0.00 0.00 1.27 0.00 0.00 6 T 8.53 4.33 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 1.26 0.00 0.00 7 A 8.07 4.18 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.59 4.60 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 9 S 8.24 4.43 0.00 3.78 3.74 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 10 P 0.00 4.56 0.00 2.19 2.04 0.00 3.82 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 11 I 8.01 4.21 1.84 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 1.38 0.49 0.93 0.00 0.00 12 S 8.56 4.75 0.00 3.89 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 13 A 8.47 5.02 1.13 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 0.00 0.00 14 V 8.75 4.54 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 0.72 0.00 0.00 0.97 0.00 0.00 15 T 8.36 4.51 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 16 C 8.91 4.68 0.00 2.88 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 17 P 0.00 4.57 0.00 2.23 2.20 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 18 P 0.00 4.40 0.00 2.07 2.04 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 19 G 9.03 3.91 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 0.00 20 E 7.71 4.57 0.00 2.16 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 2.29 2.26 0.00 21 N 8.68 5.03 0.00 2.68 2.79 0.00 0.00 6.92 7.85 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 22 L 7.89 4.98 0.00 1.95 1.73 1.00 1.14 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 23 C 9.21 5.54 0.00 2.87 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 24 Y 8.24 5.55 0.00 3.07 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 25 R 9.23 4.98 0.00 1.85 1.79 0.00 2.99 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 26 K 9.57 5.38 0.00 2.11 2.00 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.76 1.52 7.81 27 M 9.72 5.81 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.25 0.00 28 W 8.06 5.45 0.00 3.57 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 29 C 9.12 5.02 0.00 3.02 3.14 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 30 D 8.41 5.12 0.00 2.98 2.92 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 31 A 8.76 3.91 1.06 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 0.00 0.00 0.00 0.00 0.00 32 F 8.86 4.77 0.00 3.09 3.06 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 0.00 0.00 0.00 33 C 8.27 4.72 0.00 3.16 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 34 S 8.22 4.02 0.00 3.87 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 35 S 8.12 4.54 0.00 4.06 4.02 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 36 R 8.56 4.25 0.00 1.89 1.98 0.00 3.07 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 37 G 8.10 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.03 4.45 0.00 1.58 1.77 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.43 7.81 39 V 8.44 3.50 0.67 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 0.16 0.00 0.00 0.47 0.00 0.00 40 V 7.96 4.58 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 0.76 0.00 0.00 0.77 0.00 0.00 41 E 9.25 4.79 0.00 2.33 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 0.00 2.42 2.43 0.00 42 L 8.51 4.83 0.00 1.57 1.47 0.91 0.53 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 43 G 6.80 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 44 C 8.80 5.61 0.00 3.04 3.05 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 45 A 8.45 4.61 1.29 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 0.00 0.00 0.00 46 A 8.87 4.15 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 47 T 7.36 4.66 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 1.20 0.00 0.00 48 C 8.62 4.30 0.00 2.95 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 49 P 0.00 4.29 0.00 1.82 1.66 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.59 0.00 50 S 8.40 4.08 0.00 3.90 3.81 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 0.00 0.00 0.00 51 K 8.32 4.25 0.00 1.67 1.69 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.25 1.45 7.81 52 K 8.05 4.22 0.00 0.99 1.34 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.28 7.81 53 P 0.00 4.23 0.00 2.15 2.18 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 54 Y 7.65 4.45 0.00 3.16 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 55 E 6.97 4.70 0.00 1.64 1.83 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 1.89 1.47 0.00 56 E 9.06 4.69 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 2.22 2.24 0.00 57 V 8.50 5.11 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 0.91 0.00 0.00 0.93 0.00 0.00 58 T 9.00 4.75 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 59 C 9.02 5.72 0.00 2.84 3.01 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 60 C 9.19 5.25 0.00 2.97 3.16 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 0.00 61 S 8.57 4.91 0.00 3.95 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 62 T 7.68 4.69 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 1.22 0.00 0.00 63 D 8.76 4.63 0.00 2.67 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 64 K 9.19 3.76 0.00 1.88 1.83 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.14 1.27 7.81 65 C 7.99 4.59 0.00 3.06 3.28 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 0.00 66 N 7.71 4.96 0.00 2.77 2.86 0.00 0.00 6.13 7.75 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 67 P 0.00 4.16 0.00 2.24 2.00 0.00 3.85 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 1.95 1.97 0.00 68 H 8.29 4.27 0.00 3.12 3.12 0.00 5.70 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.15 0.00 1.95 2.06 0.00 2.97 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.03 0.00 70 K 8.32 4.46 0.00 1.74 1.82 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.41 7.81 71 Q 8.06 4.59 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 72 R 8.14 4.55 0.00 1.79 1.84 0.00 3.21 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 73 P 0.00 4.55 0.00 2.19 2.08 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 74 G 8.51 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