NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6215 8.3649 120.1904 55.7794 42.6158 173.9581 2 E 5.5005 8.1920 126.4939 56.3640 31.1646 177.8736 3 A 3.9978 8.4650 121.8950 55.4292 19.0674 178.8950 4 Q 4.0034 7.8998 115.2155 59.2039 28.7304 179.4996 5 F 3.9408 8.1869 120.6135 60.7298 39.8952 177.2744 6 K 4.1953 8.7859 119.5981 59.6701 31.7287 178.5322 7 E 4.0431 8.7029 119.4363 59.2599 29.3815 178.3064 8 C 4.1506 7.5903 118.2964 59.5717 43.0078 174.9250 9 Y 3.7142 8.3498 121.4025 60.6306 38.4465 177.4668 10 D 4.3873 8.2993 118.7528 57.8414 41.5531 178.3745 11 T 3.8196 8.1847 116.4801 66.6372 68.4220 176.1245 12 C 3.9017 8.4997 121.0819 62.8597 31.4701 174.9856 13 H 3.6704 8.2536 119.9411 59.1632 28.8165 176.6373 14 K 3.8116 7.8827 121.2263 59.7360 31.8836 178.1069 15 E 4.0407 7.8859 117.6782 58.2153 29.7466 177.4905 16 C 4.2808 8.0283 118.9373 59.8638 42.8307 174.9691 17 S 4.1584 8.2590 116.5013 60.6551 61.6178 175.6591 18 D 4.3373 7.5089 119.4785 57.4763 40.9258 178.2946 19 K 4.0920 7.9773 117.6730 57.4804 32.0516 178.0678 20 G 3.8797 8.1561 107.6137 45.2393 0.0000 173.2221 21 N 4.5804 7.7445 117.8653 51.8983 38.5731 174.3268 22 G 4.1521 8.2970 104.3535 43.8563 0.0000 174.2849 23 F 4.0378 8.8264 123.0885 61.6228 39.5614 177.2568 24 T 4.1314 8.3881 114.6973 67.1386 68.4606 175.9086 25 F 4.1632 8.4457 121.5367 61.7251 39.3692 177.7007 26 C 4.0273 8.5521 116.2301 60.1462 36.6523 175.4822 27 E 3.7557 8.4732 120.6426 59.4231 28.6734 178.7995 28 M 4.2486 8.3806 118.3788 58.7075 32.2388 178.0900 29 K 3.7020 7.5812 119.6132 58.9010 32.2018 178.1568 30 C 3.7946 8.2758 117.3430 63.1311 27.7631 175.7168 31 D 4.8619 8.1522 119.2047 58.0390 41.0107 178.2407 32 T 4.1480 7.5050 115.6276 66.2408 68.6097 175.6254 33 D 4.2688 8.2423 120.5474 57.1336 42.3021 176.1058 34 C 4.5458 7.8093 119.0139 54.7202 39.4123 174.0278 35 S 4.7591 6.9470 112.3533 58.1841 66.3420 177.9184 36 V 4.0352 8.3539 123.5802 62.7585 33.2122 174.4346 37 K 4.2390 7.5742 119.2963 56.6567 35.5293 172.9216 38 D 4.6983 8.7694 116.9459 52.8038 43.5676 176.8022 39 V 4.3572 8.1403 126.0436 60.7566 32.2195 173.4789 40 K 3.8632 8.3595 123.7669 55.8987 32.6647 176.3880 41 E 4.0406 8.5874 122.1547 56.6426 29.9816 177.1575 42 K 4.3703 8.0977 123.6697 53.5175 31.1855 175.3453 43 L 4.0923 7.9220 123.7861 56.1792 40.7593 176.7188 44 E 4.6514 7.4702 117.5783 55.9577 33.4228 173.8526 45 N 4.3508 8.1359 117.9081 54.2082 41.3060 173.1156 46 Y 4.8890 7.5866 116.9843 56.3013 41.0518 175.1773 47 K 4.4643 8.2506 120.5329 53.3555 31.8283 172.5899 48 P 4.4323 0.0000 0.0000 61.5818 32.2772 177.2787 49 K 3.9357 8.6433 123.0194 56.0759 32.6712 175.9666 50 N 4.4572 8.7659 117.8334 53.4401 36.8666 174.7182 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 D 8.36 4.62 0.00 2.65 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 2 E 8.19 5.50 0.00 2.16 1.96 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 2.05 2.29 0.00 3 A 8.47 4.00 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 4 Q 7.90 4.00 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 5 F 8.19 3.94 0.00 3.15 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 6 K 8.79 4.20 0.00 1.96 1.98 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.54 7.81 7 E 8.70 4.04 0.00 2.24 1.97 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 2.33 2.36 0.00 8 C 7.59 4.15 0.00 2.96 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 9 Y 8.35 3.71 0.00 3.06 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.30 4.39 0.00 3.13 2.69 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 11 T 8.18 3.82 4.27 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 1.18 0.00 0.00 12 C 8.50 3.90 0.00 2.89 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 13 H 8.25 3.67 0.00 3.16 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.88 3.81 0.00 1.82 1.94 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.59 7.81 15 E 7.89 4.04 0.00 1.99 1.89 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 2.27 2.27 0.00 16 C 8.03 4.28 0.00 2.90 2.82 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 0.00 0.00 0.00 17 S 8.26 4.16 0.00 3.96 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 18 D 7.51 4.34 0.00 2.68 2.79 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 19 K 7.98 4.09 0.00 2.00 1.89 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.61 7.81 20 G 8.16 3.88 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 0.00 0.00 0.00 21 N 7.74 4.58 0.00 3.13 3.03 0.00 0.00 6.50 7.21 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 22 G 8.30 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 0.00 0.00 0.00 23 F 8.83 4.04 0.00 3.21 3.08 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 0.00 0.00 0.00 0.00 24 T 8.39 4.13 4.40 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 1.34 0.00 0.00 25 F 8.45 4.16 0.00 3.18 3.25 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 0.00 26 C 8.55 4.03 0.00 2.98 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.47 3.76 0.00 2.46 2.15 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 2.66 2.71 0.00 28 M 8.38 4.25 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 29 K 7.58 3.70 0.00 1.21 1.38 0.00 1.50 0.00 0.00 1.47 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.17 1.20 7.81 30 C 8.28 3.79 0.00 2.45 2.26 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 31 D 8.15 4.86 0.00 3.05 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 32 T 7.50 4.15 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 1.21 0.00 0.00 33 D 8.24 4.27 0.00 2.57 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.81 4.55 0.00 2.48 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.95 4.76 0.00 4.23 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 36 V 8.35 4.04 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 0.76 0.00 0.00 0.96 0.00 0.00 37 K 7.57 4.24 0.00 1.71 1.59 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 1.32 7.81 38 D 8.77 4.70 0.00 2.60 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.36 2.09 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 0.80 0.00 0.00 0.94 0.00 0.00 40 K 8.36 3.86 0.00 1.79 1.77 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.47 7.81 41 E 8.59 4.04 0.00 1.93 1.89 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 2.31 2.32 0.00 42 K 8.10 4.37 0.00 1.72 1.72 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.56 7.81 43 L 7.92 4.09 0.00 1.78 1.70 0.93 0.64 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 44 E 7.47 4.65 0.00 1.98 1.97 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 2.27 2.36 0.00 45 N 8.14 4.35 0.00 2.73 2.71 0.00 0.00 6.58 7.40 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 46 Y 7.59 4.89 0.00 3.06 2.86 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 0.00 0.00 0.00 0.00 47 K 8.25 4.46 0.00 1.70 1.75 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.31 7.81 48 P 0.00 4.43 0.00 2.31 2.28 0.00 3.76 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 49 K 8.64 3.94 0.00 1.75 1.81 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.41 7.81 50 N 8.77 4.46 0.00 2.85 2.82 0.00 0.00 5.90 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00