NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3858 8.3049 120.3333 55.6072 32.4089 173.7834 2 Q 4.1031 8.0728 118.2264 54.3475 28.0524 172.9044 3 H 4.8553 9.4498 123.5088 54.0822 32.5265 173.2997 4 E 4.6405 8.4052 126.2296 54.5330 31.1925 174.9182 5 L 4.7107 7.9066 121.6201 53.9232 43.8280 175.2820 6 Q 4.5027 8.0771 116.6722 53.6529 31.0275 173.7904 7 P 4.5753 0.0000 0.0000 65.2331 32.3883 175.3314 8 D 4.9276 7.9348 120.6199 53.5601 41.8360 175.1112 9 S 4.6816 8.2910 121.0473 57.8916 67.9930 173.6365 10 L 4.9506 8.4893 121.4719 54.8167 41.3238 176.5274 11 V 4.3705 9.3795 118.1292 59.5395 35.2534 174.0790 12 D 5.3314 8.4044 120.3072 52.0600 44.7023 176.4614 13 L 4.0223 8.8926 121.0002 58.1056 41.4678 179.9442 14 K 3.9909 8.3315 117.7613 59.3791 31.9334 179.0700 15 F 4.2306 8.2371 120.2727 61.4947 39.4804 176.8118 16 I 3.6434 7.9912 119.3430 64.9760 36.8551 178.3644 17 M 4.2073 8.4769 119.3510 58.1897 31.4798 178.7879 18 A 3.9149 7.9192 120.5559 55.0949 18.6407 178.8530 19 D 4.2809 8.3527 116.1409 57.0280 41.3447 177.6405 20 T 4.5418 8.4442 108.9599 62.2226 69.9690 176.0535 21 G 3.5551 8.2989 107.9354 44.7518 0.0000 172.1479 22 F 4.7661 7.6675 117.9050 55.0132 42.2308 175.3361 23 G 4.1189 8.3221 106.9724 43.6827 0.0000 174.5729 24 K 3.9616 8.6663 121.2368 59.8917 31.9997 179.1693 25 T 3.7876 8.0220 112.4385 65.3440 67.1902 175.4457 26 F 4.0822 8.3046 121.8034 61.4881 39.3695 176.4934 27 I 3.0581 7.7545 119.1941 64.6709 37.0088 177.7793 28 Y 4.1637 8.4258 117.0292 61.2298 37.8323 178.6273 29 D 4.2387 7.9053 118.4715 57.4413 41.4629 178.3056 30 R 3.6201 7.9048 119.4540 59.3251 29.4062 178.5682 31 I 3.6998 7.9076 119.9872 64.0197 37.0456 178.4361 32 K 3.9532 7.8950 119.0529 59.7093 31.7247 179.3417 33 S 4.2454 8.0235 111.9293 61.3833 62.2748 175.4623 34 G 3.8413 7.8887 108.3439 46.4969 0.0000 174.7964 35 D 4.4343 8.3925 119.6775 52.3334 42.3596 171.8588 36 L 3.6368 8.1861 125.8854 52.7439 42.0285 173.1119 37 P 4.6518 0.0000 0.0000 62.8699 31.5179 176.7552 38 K 4.0620 9.8829 122.9188 57.0506 32.5764 177.0748 39 A 3.7921 7.5308 121.9819 52.2165 18.7744 178.2654 40 K 4.2452 8.4648 121.8809 54.5063 30.8852 174.3160 41 V 4.3055 7.4898 120.1326 59.6425 33.1803 176.4805 42 I 4.3954 8.3831 122.6729 61.0493 40.6038 174.4024 43 H 4.9198 7.6889 118.5928 55.0946 29.7458 174.6803 44 G 4.2051 8.7730 110.4814 46.2458 0.0000 172.9741 45 R 4.8657 8.1429 116.7865 54.1500 35.1597 175.3203 46 A 4.6620 8.1075 129.8007 52.7646 20.0633 177.2774 47 R 4.8105 5.8400 113.7846 53.0949 35.7764 174.8672 48 W 4.8532 9.4056 133.8068 55.5805 33.7137 174.5059 49 L 5.4685 8.2818 125.8954 53.5147 42.2280 177.3589 50 Y 3.9343 9.0920 124.7817 60.3279 38.6753 178.0443 51 R 4.0271 8.2247 117.5629 59.8827 29.2086 178.5248 52 D 4.5382 8.3153 119.2074 57.1663 40.6848 178.6841 53 H 4.6115 8.1438 116.4414 59.0596 28.8280 176.9700 54 C 3.9118 7.8647 120.4535 62.6951 31.1317 175.6196 55 E 4.0025 8.3895 119.4001 59.0700 29.4414 179.0127 56 F 4.3799 8.4462 114.8996 60.1108 37.9307 177.5310 57 K 2.9942 7.5338 120.4068 58.5469 31.6854 178.4752 58 N 4.1872 7.8658 117.4028 56.7504 38.9472 177.0285 59 K 4.0437 7.9341 119.7964 59.8453 32.7244 179.2211 60 L 4.0497 7.7351 119.7555 57.4243 41.5030 178.9449 61 L 3.9220 8.3585 120.1448 57.9248 42.0230 178.7139 62 S 4.2223 7.8733 112.7327 61.2293 62.4938 175.8275 63 R 4.1357 7.8741 118.1121 55.5516 31.3968 175.8129 64 A 3.6893 7.9547 122.1763 52.5877 15.7398 176.0748 65 N 4.4756 7.8912 117.7270 53.0330 38.8750 176.6967 66 G 4.0728 8.8963 108.9026 46.0037 0.0000 173.3874 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 4.39 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.65 0.00 2 Q 8.07 4.10 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 3 H 9.45 4.86 0.00 3.01 3.11 0.00 5.90 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.41 4.64 0.00 1.90 1.77 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 2.23 2.26 0.00 5 L 7.91 4.71 0.00 1.53 1.44 0.22 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.08 4.50 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.22 2.47 0.00 7 P 0.00 4.58 0.00 2.16 2.29 0.00 3.59 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 8 D 7.93 4.93 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 4.68 0.00 3.87 3.69 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 10 L 8.49 4.95 0.00 1.66 1.70 0.92 0.54 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 11 V 9.38 4.37 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 1.14 0.00 0.00 1.25 0.00 0.00 12 D 8.40 5.33 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.89 4.02 0.00 1.83 1.81 1.12 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.33 3.99 0.00 1.96 1.94 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.80 7.81 15 F 8.24 4.23 0.00 3.12 3.35 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 16 I 7.99 3.64 1.78 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.55 0.42 0.00 0.00 17 M 8.48 4.21 0.00 2.03 2.26 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 2.82 2.75 0.00 18 A 7.92 3.91 1.28 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 0.00 0.00 19 D 8.35 4.28 0.00 2.41 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 20 T 8.44 4.54 4.88 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 1.60 0.00 0.00 21 G 8.30 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 7.67 4.77 0.00 2.68 2.39 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 23 G 8.32 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.67 3.96 0.00 1.83 1.98 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.58 7.81 25 T 8.02 3.79 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 1.28 0.00 0.00 26 F 8.30 4.08 0.00 3.04 3.24 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 0.00 27 I 7.75 3.06 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.92 -0.04 0.00 0.00 28 Y 8.43 4.16 0.00 3.04 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 29 D 7.91 4.24 0.00 2.65 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 30 R 7.90 3.62 0.00 0.72 0.66 0.00 2.95 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 1.30 1.61 0.00 31 I 7.91 3.70 1.95 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.56 1.34 0.00 0.00 32 K 7.90 3.95 0.00 2.05 1.86 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.75 7.81 33 S 8.02 4.25 0.00 3.84 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 34 G 7.89 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.39 4.43 0.00 2.66 2.74 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 36 L 8.19 3.64 0.00 1.84 1.67 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.65 0.00 1.61 1.63 0.00 3.61 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 1.89 2.21 0.00 38 K 9.88 4.06 0.00 1.67 1.82 0.00 1.86 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.40 7.81 39 A 7.53 3.79 0.17 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 0.00 0.00 0.00 40 K 8.46 4.25 0.00 1.75 1.71 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.47 7.81 41 V 7.49 4.31 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.99 0.00 0.00 42 I 8.38 4.40 1.86 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 1.28 1.22 0.93 0.00 0.00 43 H 7.69 4.92 0.00 3.19 3.11 0.00 5.74 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 44 G 8.77 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 0.00 0.00 0.00 0.00 45 R 8.14 4.87 0.00 1.88 1.91 0.00 3.32 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 46 A 8.11 4.66 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 47 R 5.84 4.81 0.00 1.70 1.81 0.00 3.11 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 48 W 9.41 4.85 0.00 3.53 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 49 L 8.28 5.47 0.00 1.91 1.67 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 9.09 3.93 0.00 3.13 3.26 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 51 R 8.22 4.03 0.00 2.16 2.41 0.00 2.86 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 52 D 8.32 4.54 0.00 3.43 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 53 H 8.14 4.61 0.00 2.58 3.16 0.00 5.65 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 54 C 7.86 3.91 0.00 3.01 3.15 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 0.00 0.00 0.00 0.00 55 E 8.39 4.00 0.00 2.02 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 2.37 2.60 0.00 56 F 8.45 4.38 0.00 3.34 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.53 2.99 0.00 1.56 1.59 0.00 1.06 0.00 0.00 1.28 0.00 0.00 2.73 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.45 1.24 7.81 58 N 7.87 4.19 0.00 2.92 3.00 0.00 0.00 6.94 6.22 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 59 K 7.93 4.04 0.00 2.07 2.06 0.00 1.39 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.65 1.50 7.81 60 L 7.74 4.05 0.00 1.79 1.96 1.33 0.63 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 61 L 8.36 3.92 0.00 1.60 1.82 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 62 S 7.87 4.22 0.00 4.04 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 63 R 7.87 4.14 0.00 1.87 1.98 0.00 3.38 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 64 A 7.95 3.69 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 65 N 7.89 4.48 0.00 2.88 2.87 0.00 0.00 6.50 7.01 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 66 G 8.90 4.07 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 0.00