NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5589 8.3193 116.7993 58.5677 64.4610 173.7551 2 T 4.1723 8.6807 114.5670 60.6266 71.0319 174.4938 3 I 3.7657 8.3733 121.8858 64.3479 37.4303 179.4960 4 E 3.9002 8.0978 119.6952 59.4493 29.6290 178.6245 5 E 4.0265 8.1990 118.5931 59.5014 29.4769 179.6520 6 R 4.0599 8.2536 118.2245 59.0943 30.1767 179.2643 7 V 3.8117 8.1922 118.3210 66.0371 31.5942 178.1772 8 K 4.0176 8.1020 118.2914 59.3228 31.8525 179.1996 9 K 4.1985 7.9941 121.0409 59.0621 32.1536 178.8823 10 I 3.7311 7.8322 120.0364 64.4329 36.9767 178.3531 11 I 3.8374 8.0244 120.6753 64.5789 36.9803 178.7975 12 G 3.6403 8.2470 106.6471 47.6356 0.0000 175.5883 13 E 4.0327 8.4417 120.0878 59.4183 29.4898 179.3271 14 Q 3.8328 8.4435 118.5790 58.0350 28.8991 177.7440 15 L 4.4845 8.1347 117.3216 53.4643 42.5242 176.4510 16 G 3.8832 7.7233 106.6597 46.9334 0.0000 173.9613 17 V 4.4637 7.3914 117.4460 59.8694 34.4312 175.1415 18 K 4.1853 8.4313 125.2488 56.6553 33.3354 177.5102 19 Q 3.9935 9.0824 121.7711 59.3336 28.6703 179.4278 20 E 4.1272 8.1680 113.0432 58.3458 29.6260 177.1626 21 E 4.1720 8.1307 120.0400 57.7405 30.4516 176.9363 22 V 3.9794 7.4375 120.6091 61.7538 30.0832 175.2094 23 T 4.3595 7.3490 113.7622 60.3139 70.7934 176.4912 24 N 4.2876 8.7087 119.9839 56.1769 38.6443 176.3015 25 N 4.6534 7.9588 112.4256 52.4699 38.2334 174.7983 26 A 4.3093 7.7916 124.2786 52.0672 19.3946 177.1702 27 S 4.7430 8.7457 117.5619 56.9210 64.9408 175.5648 28 F 4.2483 8.4862 122.5318 60.9842 38.8443 178.1649 29 V 3.6907 8.0207 119.6397 65.9406 31.8287 177.8116 30 E 3.8624 8.3191 117.3752 59.2951 29.5695 177.6728 31 D 4.5965 7.9354 116.3951 55.8513 41.7036 177.4521 32 L 4.4283 7.9213 116.0224 53.7530 41.6543 176.6003 33 G 3.9673 7.7512 105.5217 46.0533 0.0000 174.0232 34 A 4.1324 8.0705 122.6837 52.1694 18.8902 179.0063 35 D 4.8303 8.7428 124.0316 52.0763 43.2519 177.4407 36 S 4.0956 8.4284 114.2135 62.0144 62.6633 176.5855 37 L 4.0323 7.9169 122.4246 58.1152 41.8401 178.3874 38 D 4.3464 8.6213 119.3358 57.4430 40.8447 178.8642 39 T 3.7037 7.6945 109.7449 64.8894 68.6277 176.6887 40 V 3.5286 7.2850 120.5417 65.5888 31.5714 177.8981 41 E 3.9900 8.4835 118.6672 59.1296 29.2256 179.1050 42 L 3.9195 8.2741 121.1029 57.8107 42.0915 179.1493 43 V 3.4721 7.5667 118.0061 66.3724 31.4846 178.0452 44 M 4.0911 7.8783 117.8233 58.1901 31.7066 178.6618 45 A 3.9826 8.0570 121.1645 55.1243 18.4570 179.7174 46 L 4.1885 8.0242 117.5740 57.8432 41.5852 179.4945 47 E 4.2690 8.2615 120.1294 58.8026 29.1464 179.0259 48 E 3.9009 8.1271 118.5662 59.2465 29.8150 178.2018 49 E 3.8221 7.8982 118.2668 58.3274 29.4571 177.7601 50 F 4.7448 8.1819 115.7660 55.8675 39.5009 175.4808 51 D 4.8752 7.8787 117.3744 55.3736 38.6433 173.5847 52 T 4.6926 7.5837 110.1047 60.3729 70.8767 171.6812 53 E 4.8696 8.8075 126.7450 54.8610 30.6293 175.2906 54 I 4.3263 8.5176 125.1366 58.3984 38.9707 174.0593 55 P 4.3608 0.0000 0.0000 62.7392 33.2512 176.8428 56 D 4.3440 8.7321 119.9487 57.3555 40.8722 178.6236 57 E 4.0024 8.0693 117.1601 59.1761 29.9386 178.3703 58 E 4.1407 7.9429 118.6909 58.7113 29.8634 178.5227 59 A 3.8190 7.9411 120.8624 55.0915 18.2277 179.4151 60 E 4.0418 7.9057 115.4038 58.6998 29.6566 178.2924 61 K 4.0847 7.6450 116.7909 57.6055 32.4872 177.0063 62 I 4.2174 7.4280 120.2334 60.5455 36.2836 175.4083 63 T 4.7453 8.4466 115.1692 61.2810 70.3269 173.8870 64 T 4.5020 7.3084 112.3009 58.8045 73.2557 174.5643 65 V 3.4839 7.6361 121.1605 66.3645 31.4221 178.0712 66 Q 3.9284 7.8322 118.3646 59.2206 28.8450 178.1413 67 A 3.9961 8.0669 121.5462 55.1219 18.2938 179.5329 68 A 4.0749 8.1709 119.2651 55.2192 18.4047 179.8869 69 I 3.5761 7.8219 118.3759 64.6076 37.2029 178.1659 70 D 4.3615 8.2884 119.8191 57.6281 40.6592 178.3934 71 Y 3.9638 8.0231 119.6635 60.7964 38.7734 178.0981 72 I 3.6433 8.0897 120.9096 64.6255 36.9668 178.2471 73 N 4.3899 8.2305 116.3865 56.1506 38.3875 177.4110 74 G 3.6145 7.8940 106.2353 46.6080 0.0000 173.9217 75 H 4.6481 7.6171 114.8584 54.8807 30.1331 173.8686 76 Q 4.0173 8.3811 122.4057 56.1620 29.3295 175.9038 77 A 4.3608 8.0644 127.0733 52.3148 19.1929 176.0360 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 S 8.32 4.56 0.00 3.91 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 2 T 8.68 4.17 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 1.22 0.00 0.00 3 I 8.37 3.77 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.94 0.70 0.00 0.00 4 E 8.10 3.90 0.00 2.02 1.94 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 0.00 2.39 2.41 0.00 5 E 8.20 4.03 0.00 2.24 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 2.35 2.37 0.00 6 R 8.25 4.06 0.00 2.23 2.23 0.00 3.20 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 7 V 8.19 3.81 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 1.10 0.00 0.00 0.71 0.00 0.00 8 K 8.10 4.02 0.00 2.06 1.89 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.65 7.81 9 K 7.99 4.20 0.00 2.08 2.03 0.00 1.59 0.00 0.00 2.05 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.41 7.81 10 I 7.83 3.73 2.14 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.78 0.96 0.00 0.00 11 I 8.02 3.84 2.14 0.00 0.00 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 1.62 0.85 1.10 0.00 0.00 12 G 8.25 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 13 E 8.44 4.03 0.00 2.22 2.23 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 2.54 2.36 0.00 14 Q 8.44 3.83 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 15 L 8.13 4.48 0.00 1.70 1.74 1.11 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.72 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 17 V 7.39 4.46 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 0.92 0.00 0.00 0.96 0.00 0.00 18 K 8.43 4.19 0.00 2.13 1.93 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.47 7.81 19 Q 9.08 3.99 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 20 E 8.17 4.13 0.00 2.07 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 2.28 2.25 0.00 21 E 8.13 4.17 0.00 1.93 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 2.29 2.24 0.00 22 V 7.44 3.98 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 0.89 0.00 0.00 0.97 0.00 0.00 23 T 7.35 4.36 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 24 N 8.71 4.29 0.00 2.83 3.03 0.00 0.00 6.56 6.92 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 25 N 7.96 4.65 0.00 2.76 2.88 0.00 0.00 6.00 7.26 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 26 A 7.79 4.31 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.75 4.74 0.00 4.07 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 28 F 8.49 4.25 0.00 3.22 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 29 V 8.02 3.69 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 1.02 0.00 0.00 1.04 0.00 0.00 30 E 8.32 3.86 0.00 1.96 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 2.31 2.40 0.00 31 D 7.94 4.60 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 4.43 0.00 1.95 1.77 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.75 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 34 A 8.07 4.13 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 35 D 8.74 4.83 0.00 2.97 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 36 S 8.43 4.10 0.00 3.88 3.95 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 0.00 0.00 0.00 37 L 7.92 4.03 0.00 1.74 1.79 0.91 1.25 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 38 D 8.62 4.35 0.00 2.95 2.68 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 39 T 7.69 3.70 4.17 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 0.00 0.00 1.21 0.00 0.00 40 V 7.29 3.53 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.90 0.00 0.00 41 E 8.48 3.99 0.00 2.00 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 2.31 2.43 0.00 42 L 8.27 3.92 0.00 1.69 1.64 0.87 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.57 3.47 2.15 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 0.91 0.00 0.00 0.87 0.00 0.00 44 M 7.88 4.09 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 45 A 8.06 3.98 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 46 L 8.02 4.19 0.00 1.77 1.95 1.21 1.05 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 47 E 8.26 4.27 0.00 2.22 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 2.63 2.38 0.00 48 E 8.13 3.90 0.00 1.92 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 0.00 2.28 2.28 0.00 49 E 7.90 3.82 0.00 1.70 1.35 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 0.00 1.66 1.47 0.00 50 F 8.18 4.74 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 51 D 7.88 4.88 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.58 4.69 4.35 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 0.00 0.00 0.00 1.41 0.00 0.00 53 E 8.81 4.87 0.00 2.03 1.90 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 2.27 2.24 0.00 54 I 8.52 4.33 1.71 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.52 0.78 0.00 0.00 55 P 0.00 4.36 0.00 2.33 1.97 0.00 3.85 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 56 D 8.73 4.34 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 4.00 0.00 2.16 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 2.27 2.40 0.00 58 E 7.94 4.14 0.00 2.08 1.90 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 2.44 2.39 0.00 59 A 7.94 3.82 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.91 4.04 0.00 1.99 2.02 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 2.65 2.41 0.00 61 K 7.64 4.08 0.00 1.89 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.53 7.81 62 I 7.43 4.22 1.98 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.58 1.07 0.00 0.00 63 T 8.45 4.75 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 1.25 0.00 0.00 64 T 7.31 4.50 4.13 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 1.11 0.00 0.00 65 V 7.64 3.48 2.24 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 0.99 0.00 0.00 0.83 0.00 0.00 66 Q 7.83 3.93 0.00 2.36 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 67 A 8.07 4.00 1.42 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 0.00 0.00 68 A 8.17 4.07 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.82 3.58 2.03 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 1.51 0.88 0.88 0.00 0.00 70 D 8.29 4.36 0.00 2.92 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 71 Y 8.02 3.96 0.00 3.12 3.11 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 0.00 0.00 0.00 0.00 72 I 8.09 3.64 1.75 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.70 0.15 0.00 0.00 73 N 8.23 4.39 0.00 2.61 2.83 0.00 0.00 7.08 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.89 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 7.62 4.65 0.00 2.59 3.13 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.38 4.02 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.67 0.00 77 A 8.06 4.36 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00