NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 3.9744 8.0549 114.0567 60.8934 33.7054 175.3379 12 Q 4.0663 7.9399 118.9259 54.1611 28.0782 174.8010 13 R 4.0993 9.1918 123.8566 55.3910 33.0308 175.1929 14 P 4.1796 0.0000 0.0000 66.3438 31.1494 178.9360 15 L 4.0521 7.8316 115.5286 57.9001 41.8756 179.0143 16 D 4.5670 8.1066 118.2120 57.3623 40.8890 178.4178 17 A 4.0374 8.5279 121.6437 55.0550 18.2228 179.3663 18 L 3.8488 8.4422 119.4976 58.0882 41.9538 179.2591 19 G 4.0316 8.2283 105.7531 47.7489 0.0000 174.3572 20 N 4.8030 8.0838 115.9984 54.0920 38.9518 175.6060 21 S 4.6380 8.1499 116.8206 57.8529 64.0361 174.1237 22 L 4.2440 7.4985 120.7737 56.6955 41.7064 176.7116 23 N 4.3365 10.0576 119.5551 54.1941 36.8228 173.9009 24 S 5.0343 8.0647 113.8250 55.6440 67.1949 171.6727 25 P 4.9490 0.0000 0.0000 63.2050 31.9605 175.7560 26 V 4.7981 9.1193 115.4478 59.8113 36.9697 174.0735 27 I 4.7351 9.2339 122.2806 59.7456 40.1428 175.0281 28 I 4.7345 9.3700 128.7723 59.5366 39.4050 174.3987 29 K 4.6025 8.3815 129.6014 54.8740 33.5582 175.5365 30 L 5.1519 8.8046 126.7958 52.3194 45.2630 176.1554 31 K 3.8959 8.4784 120.5466 58.2331 32.7309 177.8448 32 G 3.7869 8.7619 110.0756 45.3707 0.0000 173.8093 33 D 4.3424 7.6803 115.7055 54.6702 39.3890 173.9368 34 R 4.9985 7.2694 118.6923 55.7006 31.6912 174.8465 35 E 5.2560 8.5784 123.2166 54.6202 33.6108 174.0674 36 F 5.2984 9.4609 123.3091 55.7871 43.4919 174.1455 37 R 5.2530 8.9076 120.0261 52.9792 34.3745 175.4744 38 G 3.9299 7.8943 106.8579 46.8366 0.0000 170.4658 39 V 4.8108 7.5225 120.1341 60.8861 33.0044 175.4509 40 L 4.3502 8.9098 131.1683 55.6405 42.1920 177.0138 41 K 4.6004 8.7876 126.6394 57.6709 34.1812 176.4925 42 S 4.7452 7.8285 112.0208 58.0552 65.7528 174.3673 43 F 5.3229 7.9874 113.9522 56.6662 40.3738 173.0195 44 D 5.1605 8.5220 119.8615 51.7023 41.6635 176.3795 45 L 4.1699 8.4355 117.2279 57.8512 41.8774 177.4255 46 H 4.5377 8.2817 114.4468 55.5653 29.1090 175.9369 47 M 3.4349 8.1090 117.9724 55.8443 30.1187 176.5145 48 N 4.8912 8.1934 117.4161 53.8132 39.8518 174.0674 49 L 5.1336 8.9542 121.5091 54.7296 44.7199 174.2295 50 V 4.9039 8.8020 119.9944 61.1951 34.1850 174.2464 51 L 5.2383 8.8212 127.2655 53.2300 44.7660 175.6158 52 N 4.8864 9.0477 119.9964 51.2611 41.3799 174.3009 53 D 4.2315 8.2915 117.4520 55.1122 39.7371 173.5471 54 A 4.7607 7.8109 122.4449 51.9781 20.5911 177.9241 55 E 5.0136 9.4698 119.6780 54.5034 34.0487 174.4199 56 E 4.1853 9.0804 125.1120 54.4639 31.3249 174.4783 57 L 5.1557 8.5580 127.3333 52.9163 45.3348 175.2919 58 E 4.4113 8.1623 122.3709 55.7440 32.4085 175.5826 59 D 4.5344 9.4769 131.4366 55.6529 41.4088 173.5312 60 G 4.2337 7.8893 102.3481 46.4548 0.0000 171.9530 61 E 4.6652 7.7185 118.2878 53.1847 32.7707 175.1621 62 V 3.9511 8.1761 119.9699 63.5461 31.8054 175.3916 63 T 4.5274 8.6814 116.5414 61.7282 70.4400 174.3553 64 R 4.4483 7.5435 120.5545 55.5874 33.6753 173.1626 65 R 4.8669 8.7221 125.5247 55.1325 30.7741 175.8930 66 L 4.2730 9.0383 124.5133 54.0980 43.4292 179.0058 67 G 3.8324 8.1585 106.5484 45.4323 0.0000 172.3636 68 T 4.6859 8.5072 119.8030 63.6109 69.1148 174.6086 69 V 4.4792 8.6906 126.0805 59.6671 34.7999 174.2165 70 L 4.8995 8.5078 125.3455 53.7249 43.4340 175.1435 71 I 4.3486 8.5636 127.9512 59.3196 39.6124 175.5744 72 R 4.4338 8.4762 126.4347 55.6793 30.8084 178.0616 73 G 3.8674 9.2463 111.7507 47.9024 0.0000 175.1981 74 D 4.2598 8.1103 118.5071 56.9383 41.3948 176.4021 75 N 4.6816 7.9095 114.9092 53.2650 39.0168 174.6553 76 I 4.2990 7.6103 120.8265 61.0705 38.0586 175.6038 77 V 4.2340 8.7630 125.5703 64.8203 32.4860 175.2185 78 Y 4.9687 7.1390 115.7037 56.1898 41.1910 173.2532 79 I 5.3055 8.4805 120.4269 59.7840 40.7078 174.8730 80 S 4.7608 9.0611 120.0932 56.4980 67.3865 174.5751 81 R 4.1309 8.4553 117.7587 56.5978 29.9570 176.8358 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 11 V 8.05 3.97 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 0.90 0.00 0.00 0.94 0.00 0.00 12 Q 7.94 4.07 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 13 R 9.19 4.10 0.00 1.98 1.87 0.00 3.33 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 14 P 0.00 4.18 0.00 2.14 2.11 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 15 L 7.83 4.05 0.00 1.65 1.89 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.11 4.57 0.00 2.86 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 17 A 8.53 4.04 1.34 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 0.00 0.00 18 L 8.44 3.85 0.00 1.54 1.31 0.67 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.23 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 20 N 8.08 4.80 0.00 2.82 2.89 0.00 0.00 6.90 7.09 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 21 S 8.15 4.64 0.00 3.96 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.50 4.24 0.00 1.78 1.70 0.97 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 23 N 10.06 4.34 0.00 2.91 2.93 0.00 0.00 6.82 7.45 0.00 0.00 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 S 8.06 5.03 0.00 3.94 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 25 P 0.00 4.95 0.00 2.09 2.07 0.00 3.72 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 2.00 2.01 0.00 26 V 9.12 4.80 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 0.85 0.00 0.00 1.02 0.00 0.00 27 I 9.23 4.74 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.12 1.07 0.00 0.00 28 I 9.37 4.73 1.95 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 1.16 1.09 0.84 0.00 0.00 29 K 8.38 4.60 0.00 1.04 0.74 0.00 1.38 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.85 1.07 7.81 30 L 8.80 5.15 0.00 1.62 1.64 1.03 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.48 3.90 0.00 1.74 1.75 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.58 7.81 32 G 8.76 3.79 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 0.00 0.00 0.00 33 D 7.68 4.34 0.00 2.82 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 34 R 7.27 5.00 0.00 2.02 1.92 0.00 3.32 0.00 0.00 3.57 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.80 0.00 35 E 8.58 5.26 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 2.16 2.37 0.00 36 F 9.46 5.30 0.00 2.95 2.89 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 0.00 0.00 0.00 0.00 37 R 8.91 5.25 0.00 1.71 1.79 0.00 3.25 0.00 0.00 3.28 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.39 0.00 38 G 7.89 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 39 V 7.52 4.81 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 1.06 0.00 0.00 0.95 0.00 0.00 40 L 8.91 4.35 0.00 1.84 1.76 1.05 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.79 4.60 0.00 1.68 1.84 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.66 7.81 42 S 7.83 4.75 0.00 3.76 3.89 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 0.00 0.00 0.00 0.00 43 F 7.99 5.32 0.00 3.08 2.99 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 44 D 8.52 5.16 0.00 2.91 2.83 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 0.00 0.00 0.00 45 L 8.44 4.17 0.00 1.49 1.70 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.28 4.54 0.00 3.34 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.11 3.43 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 48 N 8.19 4.89 0.00 3.06 2.76 0.00 0.00 6.54 6.86 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 49 L 8.95 5.13 0.00 1.96 1.82 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.80 4.90 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 0.94 0.00 0.00 51 L 8.82 5.24 0.00 1.64 1.56 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.05 4.89 0.00 2.63 2.74 0.00 0.00 6.85 7.64 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 53 D 8.29 4.23 0.00 2.72 2.72 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 54 A 7.81 4.76 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.47 5.01 0.00 1.82 1.76 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 2.21 2.23 0.00 56 E 9.08 4.19 0.00 1.78 1.59 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 1.64 1.47 0.00 57 L 8.56 5.16 0.00 1.50 1.44 0.83 0.51 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 58 E 8.16 4.41 0.00 1.90 1.68 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 2.15 2.23 0.00 59 D 9.48 4.53 0.00 2.82 2.72 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 60 G 7.89 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 0.00 0.00 0.00 0.00 61 E 7.72 4.67 0.00 2.02 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 2.27 2.29 0.00 62 V 8.18 3.95 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 0.85 0.00 0.00 0.97 0.00 0.00 63 T 8.68 4.53 4.19 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 1.20 0.00 0.00 64 R 7.54 4.45 0.00 1.83 1.72 0.00 3.17 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 65 R 8.72 4.87 0.00 1.73 1.86 0.00 3.41 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 1.55 1.58 0.00 66 L 9.04 4.27 0.00 1.56 1.76 1.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.16 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.51 4.69 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 1.26 0.00 0.00 69 V 8.69 4.48 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 0.70 0.00 0.00 0.85 0.00 0.00 70 L 8.51 4.90 0.00 1.63 1.58 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.56 4.35 1.72 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.27 0.66 0.00 0.00 72 R 8.48 4.43 0.00 1.83 1.82 0.00 3.11 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 73 G 9.25 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.11 4.26 0.00 2.62 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.91 4.68 0.00 2.69 2.80 0.00 0.00 6.88 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 76 I 7.61 4.30 1.96 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 1.11 0.41 0.90 0.00 0.00 77 V 8.76 4.23 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 0.88 0.00 0.00 0.95 0.00 0.00 78 Y 7.14 4.97 0.00 2.98 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 79 I 8.48 5.31 1.87 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 1.38 0.67 0.89 0.00 0.00 80 S 9.06 4.76 0.00 3.84 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 81 R 8.46 4.13 0.00 1.83 1.89 0.00 3.24 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00