NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4207 8.3049 118.1935 54.4565 33.1599 174.7735 2 K 4.5112 7.7206 115.9763 52.8673 36.2558 174.5185 3 K 4.1584 8.7678 120.2836 56.7763 33.0991 176.4459 4 V 4.1392 8.3894 126.2927 62.7031 31.5276 175.9929 5 V 4.3098 8.7315 121.0274 62.1708 33.1921 175.8424 6 A 4.5396 7.3905 120.3822 50.7284 22.5407 175.5899 7 V 4.8204 7.9634 118.8984 59.5652 31.5734 174.6699 8 V 3.7085 8.7013 129.2205 63.3543 33.1614 174.3498 9 K 4.6608 8.5764 128.0385 54.9037 33.7435 174.7876 10 L 4.9072 8.9363 127.5934 52.8825 45.7028 175.8516 11 Q 5.0235 8.5833 119.3847 54.3020 31.5523 174.9041 12 L 4.8449 8.8988 124.0543 51.8080 45.3766 174.5859 13 P 4.8419 0.0000 0.0000 62.6001 32.5351 175.8223 14 A 4.0966 8.7274 127.5597 53.5310 18.7166 177.6945 15 G 4.0069 8.9550 110.4578 46.3009 0.0000 173.9541 16 K 4.6320 7.8782 115.1452 55.5153 33.5036 176.5320 17 A 4.0524 8.9873 122.6667 52.4816 18.6707 177.8179 18 T 4.7375 7.8333 110.3910 59.4200 72.4195 172.2246 19 P 4.3505 0.0000 0.0000 64.0665 31.6373 176.9911 20 A 4.3252 7.4804 120.9028 50.8829 18.9022 175.0565 21 P 4.2530 0.0000 0.0000 62.8448 31.9824 175.0300 22 P 4.4528 0.0000 0.0000 64.0273 32.5525 178.3039 23 V 3.4880 7.6360 119.6162 66.6833 31.3170 177.2173 24 G 3.6480 7.9796 104.7801 47.6680 0.0000 173.2807 25 P 4.1918 0.0000 0.0000 64.7396 31.3904 178.7703 26 A 3.9234 8.1455 118.6113 55.2589 18.7047 179.3998 27 L 4.0782 7.8175 117.4847 57.5964 41.8431 179.7913 28 G 3.6823 8.3503 106.3330 47.6776 0.0000 175.0745 29 Q 4.2582 7.6568 117.1271 57.6698 29.0556 176.3255 30 H 4.7099 7.9756 117.9208 55.1923 29.4417 174.9483 31 G 3.7753 8.2050 105.9665 46.1134 0.0000 174.3512 32 A 4.7262 7.2754 120.8026 51.0896 19.1437 178.9130 33 N 4.7451 8.7660 118.0827 52.3670 38.4577 175.4190 34 I 3.6721 8.1181 128.4982 64.5573 37.5017 177.6660 35 M 4.2630 8.0719 118.2694 58.5144 31.6333 177.9248 36 E 4.1810 8.7006 119.1317 59.1057 29.6294 179.1054 37 F 4.3533 8.5767 120.9392 61.1910 39.4634 177.0639 38 V 3.2675 8.1854 118.3258 66.4241 31.3286 178.2961 39 K 4.0748 8.0162 116.7910 58.7920 31.8588 179.5183 40 A 4.0889 7.5900 120.5182 54.9959 18.6067 179.2671 41 F 3.6576 7.9169 119.4490 61.5510 39.1626 177.1565 42 N 4.2793 8.1986 115.7373 55.9655 38.0158 177.3351 43 A 4.0189 7.7171 121.2379 55.2447 18.6579 179.4360 44 A 4.1669 7.9808 117.7153 54.1346 18.1784 178.3294 45 T 4.4237 7.2295 105.9995 61.2587 69.1701 176.0958 46 A 4.0534 7.5863 126.5292 55.5021 18.4414 179.7008 47 N 4.6166 7.9593 112.0262 55.4951 38.9680 175.2840 48 M 4.7517 7.0422 122.5856 53.6894 30.6238 177.7609 49 G 3.7712 10.4129 113.9187 45.9162 0.0000 172.9453 50 D 4.3201 8.7224 119.6927 55.0814 39.9040 173.6987 51 A 4.4178 8.1509 121.2250 51.3788 20.2182 176.6780 52 I 4.3834 8.3019 122.0518 60.6648 38.3437 175.5294 53 V 4.3526 8.9906 128.5129 60.5352 33.1484 173.1245 54 P 5.0888 0.0000 0.0000 62.5519 32.8009 176.0091 55 V 4.8916 9.4159 122.9352 60.3595 35.3653 173.5811 56 E 5.6013 9.0602 123.9045 54.1667 31.8298 174.8195 57 I 4.9144 8.2222 125.9700 60.1188 39.5065 174.8672 58 T 4.6700 9.2428 124.9299 62.6099 70.0449 173.8860 59 I 4.9959 8.3219 127.0647 59.8018 40.4674 174.8573 60 Y 4.9901 8.5272 123.4542 56.0531 40.7216 176.7136 61 A 4.0517 8.6758 122.8686 55.5278 18.1620 178.1857 62 D 4.6910 8.1883 113.9822 53.5872 39.5878 177.9780 63 R 4.0559 8.1199 117.1984 57.0973 28.7630 176.2924 64 S 5.0063 7.6494 113.5395 58.2534 64.7416 172.8128 65 F 6.3000 8.3142 113.7398 55.7916 40.8075 173.5900 66 T 5.1604 8.9547 109.3344 60.1209 72.3259 172.4409 67 F 5.6848 8.5194 116.4614 55.4223 41.7251 173.8419 68 V 4.5543 8.8960 120.1754 61.5353 34.1487 175.0596 69 T 5.2497 8.6872 117.7753 60.1573 70.7530 173.7164 70 K 4.7808 8.5094 120.0823 55.0335 36.6033 176.4682 71 T 4.4351 8.7248 120.5323 62.1788 69.7846 173.4238 72 P 4.7521 0.0000 0.0000 62.0803 31.8961 171.4233 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 4.42 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 2 K 7.72 4.51 0.00 1.61 1.77 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.26 7.81 3 K 8.77 4.16 0.00 1.78 1.82 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.49 7.81 4 V 8.39 4.14 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 0.65 0.00 0.00 0.87 0.00 0.00 5 V 8.73 4.31 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 0.73 0.00 0.00 0.97 0.00 0.00 6 A 7.39 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.96 4.82 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 0.70 0.00 0.00 0.90 0.00 0.00 8 V 8.70 3.71 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 0.77 0.00 0.00 0.79 0.00 0.00 9 K 8.58 4.66 0.00 1.74 1.66 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.43 7.81 10 L 8.94 4.91 0.00 1.51 1.42 0.71 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.58 5.02 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 12 L 8.90 4.84 0.00 1.22 1.30 0.13 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.84 0.00 2.11 2.02 0.00 3.60 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 2.13 2.13 0.00 14 A 8.73 4.10 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 15 G 8.95 4.01 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 0.00 0.00 0.00 16 K 7.88 4.63 0.00 1.79 1.78 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.46 7.81 17 A 8.99 4.05 1.07 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 0.00 0.00 18 T 7.83 4.74 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 1.25 0.00 0.00 19 P 0.00 4.35 0.00 2.20 2.13 0.00 3.59 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 2.11 2.08 0.00 20 A 7.48 4.33 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 21 P 0.00 4.25 0.00 2.02 2.00 0.00 3.65 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 2.01 2.08 0.00 22 P 0.00 4.45 0.00 2.20 2.23 0.00 3.37 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 1.96 2.00 0.00 23 V 7.64 3.49 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 1.07 0.00 0.00 0.95 0.00 0.00 24 G 7.98 3.65 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 0.00 0.00 0.00 25 P 0.00 4.19 0.00 2.12 2.09 0.00 3.58 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 2.08 2.14 0.00 26 A 8.15 3.92 1.18 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 0.00 0.00 27 L 7.82 4.08 0.00 1.70 1.52 0.31 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.35 3.68 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 0.00 0.00 0.00 29 Q 7.66 4.26 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.09 0.00 0.00 0.00 0.00 0.00 2.56 2.12 0.00 30 H 7.98 4.71 0.00 3.33 3.28 0.00 5.94 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.20 3.78 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 0.00 0.00 0.00 32 A 7.28 4.73 1.30 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 33 N 8.77 4.75 0.00 2.97 3.12 0.00 0.00 6.87 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 34 I 8.12 3.67 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.52 0.92 0.00 0.00 35 M 8.07 4.26 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.72 0.00 36 E 8.70 4.18 0.00 2.70 2.33 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 2.44 2.63 0.00 37 F 8.58 4.35 0.00 2.37 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 38 V 8.19 3.27 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 0.96 0.00 0.00 0.98 0.00 0.00 39 K 8.02 4.07 0.00 1.89 1.86 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.66 7.81 40 A 7.59 4.09 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 0.00 0.00 0.00 0.00 0.00 41 F 7.92 3.66 0.00 1.63 2.27 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 42 N 8.20 4.28 0.00 2.84 2.84 0.00 0.00 6.98 7.65 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 43 A 7.72 4.02 1.43 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 0.00 0.00 44 A 7.98 4.17 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 45 T 7.23 4.42 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 0.66 0.00 0.00 46 A 7.59 4.05 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 0.00 0.00 0.00 0.00 0.00 47 N 7.96 4.62 0.00 2.82 2.94 0.00 0.00 6.05 7.66 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 48 M 7.04 4.75 0.00 2.06 1.19 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 49 G 10.41 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.72 4.32 0.00 2.79 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 51 A 8.15 4.42 1.23 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 52 I 8.30 4.38 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.89 0.98 0.00 0.00 53 V 8.99 4.35 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.01 0.00 0.00 54 P 0.00 5.09 0.00 2.18 1.99 0.00 3.83 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 55 V 9.42 4.89 2.47 0.00 0.00 0.00 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 1.39 0.00 0.00 56 E 9.06 5.60 0.00 2.02 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 2.25 2.14 0.00 57 I 8.22 4.91 1.62 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 0.53 0.61 0.77 0.00 0.00 58 T 9.24 4.67 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 0.79 0.00 0.00 59 I 8.32 5.00 1.71 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.63 1.00 0.00 0.00 60 Y 8.53 4.99 0.00 3.02 2.90 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 61 A 8.68 4.05 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 0.00 0.00 0.00 0.00 0.00 62 D 8.19 4.69 0.00 2.86 2.90 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 63 R 8.12 4.06 0.00 2.10 2.38 0.00 3.16 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 64 S 7.65 5.01 0.00 3.88 4.01 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 65 F 8.31 6.30 0.00 3.18 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 66 T 8.95 5.16 4.32 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 1.33 0.00 0.00 67 F 8.52 5.68 0.00 3.26 3.29 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 68 V 8.90 4.55 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 1.03 0.00 0.00 0.97 0.00 0.00 69 T 8.69 5.25 4.34 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 1.44 0.00 0.00 70 K 8.51 4.78 0.00 1.66 1.73 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.49 7.81 71 T 8.72 4.44 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 72 P 0.00 4.75 0.00 2.03 1.73 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.54 0.00