NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2435 8.1693 120.6237 53.6180 43.0203 176.2981 2 P 4.2606 0.0000 0.0000 62.1197 31.8604 174.8880 3 A 4.1973 8.3757 122.2317 54.2521 19.5704 179.4060 4 S 4.8560 7.7351 107.8700 56.6370 66.1162 173.1028 5 F 4.7877 8.4174 122.7182 57.0140 42.2651 173.4259 6 D 4.3539 7.5463 125.5208 51.4211 42.9378 175.0967 7 A 3.8637 8.6779 129.9496 55.6209 18.0320 178.9851 8 R 4.0233 8.3164 115.0225 58.4275 30.1025 178.0533 9 E 4.3036 7.7175 117.6995 58.0940 30.5172 177.6456 10 Q 3.7256 7.5154 118.0931 57.5292 30.5887 176.3177 11 W 5.6336 8.2987 117.7446 53.3609 29.4402 174.3732 12 P 4.3995 0.0000 0.0000 65.1812 31.6317 178.1487 13 Q 4.1811 8.1944 115.9230 57.0766 29.0985 175.8024 14 C 4.9387 8.0823 117.8447 54.5274 38.8772 172.6698 15 P 4.1407 0.0000 0.0000 65.0917 31.6597 179.2134 16 T 4.1178 7.8631 108.0984 64.0113 69.1518 176.6079 17 I 3.9264 7.3692 122.0919 63.3482 37.1507 177.1204 18 K 4.2645 7.4685 116.5348 57.1474 32.5825 176.8625 19 E 4.1108 7.7316 120.0221 55.8387 30.0733 175.6800 20 I 4.4212 8.2065 125.9544 59.6725 39.2477 175.8760 21 R 4.5153 8.3808 124.6906 54.8895 32.1355 174.8173 22 D 4.4892 8.2947 117.4528 52.9549 43.3151 175.1971 23 Q 3.1608 8.2676 124.8252 56.2220 29.7885 178.2445 24 G 3.7000 8.0408 107.5359 46.3608 0.0000 175.4241 25 S 4.4794 8.3889 111.9721 56.2182 61.5102 172.8868 26 C 4.6193 7.2831 118.3066 58.4691 35.1325 174.4626 27 G 4.0201 8.6829 117.3310 45.0863 0.0000 174.2554 28 S 4.5848 7.6194 111.8670 58.2053 64.2907 175.2474 29 C 4.0784 8.1775 119.5337 61.6344 27.3948 175.8066 30 W 4.2455 8.3298 118.4354 59.1174 27.6433 177.8515 31 A 3.7724 7.3847 121.5976 54.1267 18.2577 179.3970 32 F 3.7616 8.1294 115.9502 60.4861 38.9597 177.5882 33 G 3.8515 8.3207 105.1854 48.1268 0.0000 175.2246 34 A 3.9764 7.4152 121.4269 55.0508 18.5845 180.1829 35 V 3.6305 7.9485 110.1407 63.6192 31.6863 178.8890 36 E 3.9152 8.0575 118.8978 59.3337 29.4916 178.9303 37 A 4.2300 7.8172 120.3802 54.7822 18.4010 179.9100 38 I 3.6258 7.7717 118.6737 64.5473 37.0786 178.3924 39 S 4.0433 7.8203 115.8684 61.8796 62.3829 176.3932 40 D 4.3276 7.8277 120.6787 57.8413 40.6526 179.5676 41 R 3.8592 8.0010 117.9905 58.8308 29.7507 179.2318 42 I 3.6229 7.6750 119.9789 64.5700 36.9216 177.5738 43 C 4.2404 7.6032 117.8164 59.6772 43.4970 175.3994 44 I 3.5018 7.2202 120.5029 64.3206 36.7714 177.4547 45 H 4.4590 8.3768 114.3214 55.8218 29.0820 175.3367 46 T 4.4124 6.7259 115.4862 60.6371 68.7167 174.1363 47 N 4.5542 8.4934 121.0645 53.5659 38.7124 175.3834 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 L 8.17 4.24 0.00 1.62 1.61 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.26 0.00 2.56 2.10 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 3 A 8.38 4.20 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 7.74 4.86 0.00 3.95 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.42 4.79 0.00 2.85 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 6 D 7.55 4.35 0.00 2.54 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 7 A 8.68 3.86 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.32 4.02 0.00 1.92 2.00 0.00 3.15 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 9 E 7.72 4.30 0.00 1.85 1.82 0.00 0.00 0.00 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 2.19 0.00 10 Q 7.52 3.73 0.00 1.07 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.38 0.00 0.00 0.00 0.00 0.00 1.36 1.16 0.00 11 W 8.30 5.63 0.00 3.61 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 12 P 0.00 4.40 0.00 2.18 2.18 0.00 3.88 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 13 Q 8.19 4.18 0.00 2.26 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.89 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 14 C 8.08 4.94 0.00 3.16 3.03 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 15 P 0.00 4.14 0.00 2.18 2.11 0.00 3.60 0.00 0.00 3.97 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 16 T 7.86 4.12 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 17 I 7.37 3.93 2.01 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 1.57 1.44 0.97 0.00 0.00 18 K 7.47 4.26 0.00 1.81 1.86 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.38 7.81 19 E 7.73 4.11 0.00 1.98 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 2.34 2.29 0.00 20 I 8.21 4.42 1.88 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 1.42 1.05 0.91 0.00 0.00 21 R 8.38 4.52 0.00 2.08 2.25 0.00 3.24 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 22 D 8.29 4.49 0.00 2.53 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 0.00 0.00 0.00 0.00 23 Q 8.27 3.16 0.00 1.69 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 24 G 8.04 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.39 4.48 0.00 3.87 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 26 C 7.28 4.62 0.00 2.90 2.92 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 27 G 8.68 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.62 4.58 0.00 4.09 4.15 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 29 C 8.18 4.08 0.00 3.18 3.45 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 0.00 30 W 8.33 4.25 0.00 3.72 3.42 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 31 A 7.38 3.77 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.13 3.76 0.00 3.04 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 33 G 8.32 3.85 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 0.00 0.00 0.00 34 A 7.42 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 35 V 7.95 3.63 1.80 0.00 0.00 0.00 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 0.63 0.00 0.00 36 E 8.06 3.92 0.00 2.26 2.00 0.00 0.00 0.00 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 2.39 0.00 37 A 7.82 4.23 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 38 I 7.77 3.63 1.89 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 1.48 0.56 0.86 0.00 0.00 39 S 7.82 4.04 0.00 4.03 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 40 D 7.83 4.33 0.00 2.81 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 41 R 8.00 3.86 0.00 1.84 1.86 0.00 3.07 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 42 I 7.68 3.62 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.77 0.88 0.00 0.00 43 C 7.60 4.24 0.00 2.86 3.19 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 44 I 7.22 3.50 1.60 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.11 0.22 0.00 0.00 45 H 8.38 4.46 0.00 3.08 3.34 0.00 5.84 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 6.73 4.41 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 1.27 0.00 0.00 47 N 8.49 4.55 0.00 2.74 2.71 0.00 0.00 6.79 7.56 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