NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4742 8.2931 120.3515 55.7326 32.0927 174.1622 2 G 4.0586 9.3921 113.9381 44.4321 0.0000 167.2039 3 E 4.8387 8.8993 119.4498 54.1661 32.6858 174.2041 4 L 4.5117 8.5431 121.9436 54.2662 43.7077 176.3499 5 S 4.6447 8.9037 116.5290 57.9931 63.8917 173.7664 6 W 4.9840 9.0034 125.1899 55.1569 30.9513 175.8454 7 T 4.6428 8.2878 114.2061 60.1715 70.5701 175.8765 8 A 4.1104 8.6722 124.0964 55.1151 17.8586 180.1071 9 E 3.8499 8.1251 116.8721 59.5631 29.6656 179.1698 10 A 3.6353 7.8546 120.2838 55.1617 18.5385 179.4347 11 E 4.0629 8.5558 117.1207 59.2330 29.2470 179.3975 12 K 3.9001 7.9711 119.2829 59.7078 32.5917 178.3652 13 M 4.1071 7.3834 118.6480 57.8735 31.9168 178.4305 14 L 4.1878 7.7575 120.6511 57.6946 42.0557 178.7573 15 G 3.7346 8.2348 104.6153 46.2589 0.0000 174.1183 16 K 4.2911 7.5532 118.8933 56.4353 32.5879 176.4849 17 V 4.2593 7.3895 119.7766 59.8673 33.2243 173.6074 18 P 4.1353 0.0000 0.0000 62.5648 31.9897 177.2500 19 F 4.1487 8.6957 116.7170 59.6866 37.7568 176.8230 20 F 4.5419 6.4748 113.7378 57.7098 38.3111 176.0503 21 V 4.3244 6.9944 113.7001 60.7980 33.1628 177.6465 22 R 3.9094 7.4431 119.5299 59.2704 29.8316 179.0026 23 K 4.0565 7.9516 117.7613 58.9136 32.0139 179.1889 24 K 3.9250 7.8689 119.7834 59.4115 32.2068 178.9240 25 V 3.6445 7.5891 118.0550 66.0120 31.6002 177.9619 26 R 4.3346 8.5363 120.1447 58.9514 29.8990 178.4177 27 K 4.0723 8.2753 119.4596 59.2778 32.0713 178.4451 28 N 4.3642 7.9307 116.4351 56.8933 38.8188 177.0490 29 T 3.9024 8.6117 111.6557 64.6908 68.6330 175.8511 30 D 4.5023 8.4459 120.9045 57.5799 41.3239 178.2207 31 N 4.4418 8.3617 116.7976 56.0961 38.4881 177.0246 32 Y 3.9361 8.3265 121.3052 60.6753 38.8899 177.7131 33 A 3.9027 8.5874 122.1215 55.2212 17.9162 179.8398 34 R 3.6457 7.8089 116.6454 59.2329 29.8664 178.8850 35 E 3.8873 7.8058 118.6843 58.9830 29.7473 178.3921 36 I 3.8925 7.3340 111.2187 61.3674 38.2268 176.1857 37 G 3.7738 7.7688 107.8837 46.0695 0.0000 173.1318 38 E 4.4975 8.4330 121.3369 53.3206 31.1849 173.7180 39 P 4.4230 0.0000 0.0000 64.2692 32.8635 176.0317 40 V 4.5389 7.6982 118.9361 60.7025 33.5308 175.5716 41 V 3.6452 8.7308 130.3019 63.0038 31.9764 175.3336 42 T 5.2620 8.2416 119.2626 59.3853 71.5910 175.2088 43 A 3.9494 8.4996 121.8480 55.3439 18.1503 179.2666 44 D 4.2319 7.9706 116.2254 57.4410 41.4358 178.4773 45 V 3.6044 7.4940 118.6913 66.0160 31.5587 177.7309 46 F 3.9206 8.4932 120.7763 61.0501 39.0856 177.0083 47 R 3.9318 8.4218 118.5960 59.5519 29.9522 178.6880 48 K 3.9371 8.3834 118.3141 59.3198 31.9573 179.2488 49 A 2.5800 8.1787 121.4130 54.4024 18.1899 179.5555 50 K 3.6090 8.0426 118.4489 59.7558 32.4186 178.8701 51 E 4.0809 8.2649 118.9470 59.5812 29.0709 178.9700 52 H 4.2079 7.8632 117.6133 59.1946 30.0212 177.0480 53 L 4.3230 8.0696 120.1896 55.1708 42.8769 177.6109 54 G 4.9205 7.6118 115.4353 46.2101 0.0000 172.9248 55 G 4.0638 8.0058 113.5332 43.3820 0.0000 170.9717 56 L 4.4103 7.6934 121.7235 56.2473 42.0986 178.1208 57 E 4.0710 8.0002 118.9541 56.3962 30.1492 175.6043 58 H 5.0602 8.4291 117.0932 54.4861 29.3960 173.7213 59 H 5.0116 8.2017 127.3557 55.5819 29.9368 172.8248 60 H 4.2649 8.2204 120.2698 58.1744 30.6047 174.1459 61 H 4.6795 8.1355 118.5614 55.0259 29.0371 172.7221 62 H 4.3703 8.5360 125.6637 56.3777 30.9951 174.2643 63 H 4.2835 8.0359 121.8653 56.5589 30.5564 173.8557 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 8.29 4.47 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 G 9.39 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.90 4.84 0.00 2.00 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 2.24 2.40 0.00 4 L 8.54 4.51 0.00 1.68 1.84 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.90 4.64 0.00 3.78 3.83 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 0.00 0.00 0.00 6 W 9.00 4.98 0.00 3.15 3.21 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 7 T 8.29 4.64 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 1.20 0.00 0.00 8 A 8.67 4.11 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 9 E 8.13 3.85 0.00 1.99 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 2.38 2.36 0.00 10 A 7.85 3.64 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 11 E 8.56 4.06 0.00 2.10 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 2.49 2.88 0.00 12 K 7.97 3.90 0.00 1.84 1.98 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 13 M 7.38 4.11 0.00 1.62 1.52 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 14 L 7.76 4.19 0.00 1.85 1.78 1.14 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.23 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.55 4.29 0.00 1.93 1.85 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.60 1.49 7.81 17 V 7.39 4.26 2.25 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 0.68 0.00 0.00 1.03 0.00 0.00 18 P 0.00 4.14 0.00 0.83 1.30 0.00 3.42 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 1.79 1.92 0.00 19 F 8.70 4.15 0.00 3.18 3.30 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 20 F 6.47 4.54 0.00 2.99 2.84 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 21 V 6.99 4.32 1.95 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 0.99 0.00 0.00 0.41 0.00 0.00 22 R 7.44 3.91 0.00 2.06 1.92 0.00 3.14 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 23 K 7.95 4.06 0.00 1.78 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.46 7.81 24 K 7.87 3.92 0.00 1.82 2.02 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.51 7.81 25 V 7.59 3.64 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 0.88 0.00 0.00 1.01 0.00 0.00 26 R 8.54 4.33 0.00 1.78 1.81 0.00 2.58 0.00 0.00 2.81 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.00 27 K 8.28 4.07 0.00 1.91 1.95 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.49 7.81 28 N 7.93 4.36 0.00 3.11 2.90 0.00 0.00 6.90 7.10 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 29 T 8.61 3.90 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 0.95 0.00 0.00 30 D 8.45 4.50 0.00 3.15 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.36 4.44 0.00 3.04 2.89 0.00 0.00 6.85 7.43 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 32 Y 8.33 3.94 0.00 3.10 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 33 A 8.59 3.90 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 34 R 7.81 3.65 0.00 1.93 1.98 0.00 3.44 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 35 E 7.81 3.89 0.00 2.00 1.94 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 2.17 2.24 0.00 36 I 7.33 3.89 1.66 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.58 0.32 0.00 0.00 37 G 7.77 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 38 E 8.43 4.50 0.00 1.76 1.86 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 2.13 2.37 0.00 39 P 0.00 4.42 0.00 2.10 2.07 0.00 3.55 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 40 V 7.70 4.54 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.91 0.00 0.00 41 V 8.73 3.65 0.67 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 -0.08 0.00 0.00 0.48 0.00 0.00 42 T 8.24 5.26 4.20 0.00 0.00 0.00 0.00 0.00 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 43 A 8.50 3.95 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 44 D 7.97 4.23 0.00 2.79 2.66 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 45 V 7.49 3.60 2.21 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 0.87 0.00 0.00 0.95 0.00 0.00 46 F 8.49 3.92 0.00 3.10 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 47 R 8.42 3.93 0.00 2.21 2.15 0.00 3.25 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 48 K 8.38 3.94 0.00 2.07 1.98 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.62 7.81 49 A 8.18 2.58 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 50 K 8.04 3.61 0.00 1.73 1.92 0.00 1.43 0.00 0.00 1.54 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.50 7.81 51 E 8.26 4.08 0.00 2.28 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 2.34 2.36 0.00 52 H 7.86 4.21 0.00 3.14 3.14 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.07 4.32 0.00 1.51 1.63 0.76 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.61 4.92 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 0.00 0.00 0.00 55 G 8.01 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.69 4.41 0.00 1.77 1.80 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.00 4.07 0.00 2.15 2.14 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 2.39 2.28 0.00 58 H 8.43 5.06 0.00 3.24 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.20 5.01 0.00 3.04 3.20 0.00 5.74 0.00 0.00 0.00 0.00 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 H 8.22 4.26 0.00 3.18 3.38 0.00 5.76 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.14 4.68 0.00 3.17 3.29 0.00 5.76 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.54 4.37 0.00 2.98 3.20 0.00 5.91 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.04 4.28 0.00 3.08 3.14 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00