NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4410 8.3044 118.1936 54.8570 32.7046 175.1914 2 V 3.4003 8.5820 121.0522 65.1883 31.6849 174.8509 3 I 4.3336 7.9531 124.5326 59.4980 38.9757 174.7470 4 A 4.5361 8.4505 129.0856 50.8246 20.6318 178.1405 5 T 3.8608 8.4149 115.3962 67.1196 68.1937 176.6785 6 D 4.6809 8.0228 118.3286 56.5954 40.9334 177.5335 7 D 4.5604 7.8355 118.3699 55.5902 41.3246 176.7484 8 L 4.5708 8.1526 119.5486 55.6013 43.9345 176.5376 9 E 5.0845 7.8812 115.1768 54.4946 33.8335 175.2388 10 V 4.2475 9.1528 123.8152 61.0565 33.4395 174.9811 11 A 4.2332 8.6598 129.8199 52.2724 18.5568 176.2133 12 C 4.1824 8.7862 124.1631 59.2031 31.9703 172.8566 13 P 4.3895 0.0000 0.0000 64.8429 31.5175 177.6447 14 K 4.0913 8.1204 120.2743 58.5916 32.5083 176.8303 15 C 4.6995 7.9321 110.5205 56.8589 30.2023 173.3370 16 E 3.5287 8.7172 117.4026 57.8943 27.0598 175.4881 17 R 4.2690 8.3905 115.2072 56.3798 28.7606 176.2035 18 A 4.0279 7.8773 120.7062 53.7913 18.7033 179.9582 19 G 3.8406 8.7109 102.8916 45.4270 0.0000 172.4397 20 E 4.9193 7.7696 120.4041 54.1188 32.8515 173.7572 21 I 4.5708 9.1124 119.9522 60.2176 39.4648 175.7155 22 E 3.6910 9.9645 126.8820 57.2277 26.8826 175.3405 23 G 4.1048 8.2128 106.2779 45.3144 0.0000 173.4605 24 T 4.3379 7.9599 117.1214 61.3293 69.5658 172.4834 25 P 4.4926 0.0000 0.0000 62.9497 31.9513 175.6867 26 C 4.2836 8.8691 125.1074 58.6175 31.8523 172.3377 27 P 4.4449 0.0000 0.0000 64.1829 31.5020 176.6463 28 A 4.4296 7.8493 120.9069 53.0912 19.2805 177.2910 29 C 4.6456 7.4218 106.7947 56.3819 32.0882 173.5643 30 S 3.6014 8.5474 115.6219 59.3650 59.2989 172.7185 31 G 4.1354 8.1204 107.8428 46.2530 0.0000 174.5619 32 K 3.9668 7.6821 118.3272 57.6684 32.2852 178.4260 33 G 3.9837 9.9968 105.8160 44.9462 0.0000 172.4071 34 V 4.8627 7.1319 117.4134 61.6972 34.6676 172.8378 35 I 4.5878 8.7166 128.2302 59.3041 40.0860 175.0075 36 L 4.4963 8.3337 126.6298 54.7567 42.4466 177.0103 37 T 4.3458 8.5119 113.3178 60.6629 70.7188 175.4867 38 A 4.1158 8.8770 123.3515 55.7210 18.2668 179.6702 39 Q 4.0234 8.1439 117.3927 59.3022 29.2304 178.6053 40 G 3.5407 7.9838 106.7015 47.9265 0.0000 175.3303 41 Y 4.3066 8.1116 119.2194 61.0815 37.7909 178.7446 42 T 3.9468 8.0375 116.5909 66.7388 68.6003 176.4960 43 L 4.0475 7.8248 120.3429 57.8276 41.7085 179.5265 44 L 4.0003 8.0773 120.0566 58.3472 42.0148 178.6420 45 D 4.4425 8.8060 119.2359 57.3075 40.8579 178.6137 46 F 4.2076 8.5903 121.2274 61.4752 39.3714 177.3291 47 I 3.6180 8.1857 119.4982 64.2586 36.6690 178.0789 48 Q 3.9867 8.3978 118.2778 59.3528 28.7115 179.5376 49 K 4.0238 8.0387 117.6984 59.0553 32.1813 178.3421 50 H 4.6178 7.4742 113.4678 54.8582 30.1994 175.1339 51 L 3.9481 7.6017 123.5670 56.1524 42.7617 176.3886 52 N 4.1227 8.5262 121.0052 52.3097 35.6186 174.3546 53 K 4.0012 7.5906 118.8254 57.2393 33.1616 175.1693 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 4.44 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 V 8.58 3.40 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 0.78 0.00 0.00 0.92 0.00 0.00 3 I 7.95 4.33 1.86 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 1.34 0.77 0.90 0.00 0.00 4 A 8.45 4.54 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 5 T 8.41 3.86 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 1.19 0.00 0.00 6 D 8.02 4.68 0.00 2.62 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 7 D 7.84 4.56 0.00 2.85 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 8 L 8.15 4.57 0.00 1.66 1.63 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.88 5.08 0.00 1.75 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 2.13 2.23 0.00 10 V 9.15 4.25 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 1.01 0.00 0.00 0.92 0.00 0.00 11 A 8.66 4.23 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 12 C 8.79 4.18 0.00 3.04 2.94 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 0.00 0.00 0.00 13 P 0.00 4.39 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 14 K 8.12 4.09 0.00 1.74 1.87 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.43 7.81 15 C 7.93 4.70 0.00 3.10 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 16 E 8.72 3.53 0.00 2.14 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 0.00 2.25 2.22 0.00 17 R 8.39 4.27 0.00 1.94 2.13 0.00 3.22 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.81 0.00 18 A 7.88 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.71 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 20 E 7.77 4.92 0.00 1.92 1.73 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 2.19 2.26 0.00 21 I 9.11 4.57 1.87 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 1.30 0.91 0.91 0.00 0.00 22 E 9.96 3.69 0.00 2.06 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 2.24 2.23 0.00 23 G 8.21 4.10 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 0.00 0.00 0.00 24 T 7.96 4.34 4.45 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 0.00 0.00 0.00 1.21 0.00 0.00 25 P 0.00 4.49 0.00 2.04 2.02 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 26 C 8.87 4.28 0.00 2.95 2.87 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 27 P 0.00 4.44 0.00 2.22 2.16 0.00 3.81 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 28 A 7.85 4.43 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 29 C 7.42 4.65 0.00 3.02 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 30 S 8.55 3.60 0.00 4.13 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 31 G 8.12 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 0.00 0.00 0.00 0.00 32 K 7.68 3.97 0.00 1.94 1.87 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.39 7.81 33 G 10.00 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.13 4.86 2.06 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 0.74 0.00 0.00 0.91 0.00 0.00 35 I 8.72 4.59 1.86 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 1.24 0.91 0.93 0.00 0.00 36 L 8.33 4.50 0.00 0.58 0.95 0.33 0.72 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 37 T 8.51 4.35 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 1.16 0.00 0.00 38 A 8.88 4.12 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 39 Q 8.14 4.02 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 40 G 7.98 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.11 4.31 0.00 3.22 2.96 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 0.00 0.00 0.00 42 T 8.04 3.95 4.45 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 0.00 0.00 0.00 1.22 0.00 0.00 43 L 7.82 4.05 0.00 1.76 1.77 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.08 4.00 0.00 2.02 1.76 0.94 1.09 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 45 D 8.81 4.44 0.00 3.06 2.78 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 46 F 8.59 4.21 0.00 3.21 3.32 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 47 I 8.19 3.62 1.92 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.90 0.92 0.00 0.00 48 Q 8.40 3.99 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 49 K 8.04 4.02 0.00 1.70 1.53 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.58 7.81 50 H 7.47 4.62 0.00 2.70 3.11 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.60 3.95 0.00 1.64 1.56 0.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.53 4.12 0.00 2.85 2.79 0.00 0.00 6.92 7.61 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 53 K 7.59 4.00 0.00 1.66 1.62 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.16 7.81