NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1153 8.3149 120.1258 55.3640 33.5280 175.5159 2 P 4.2345 0.0000 0.0000 61.5275 32.2229 175.7905 3 D 4.5947 8.5573 119.8535 57.6603 41.6614 178.7239 4 F 4.4165 8.1729 114.3833 59.9304 37.4151 177.6402 5 C 4.5843 7.4804 115.7970 58.6366 39.9323 173.9959 6 F 4.7033 7.8958 117.8146 56.9983 39.1438 175.8271 7 L 4.3994 7.6766 121.3501 54.1226 42.1750 176.9309 8 E 4.2872 8.5306 122.0970 55.5948 30.2549 176.7396 9 E 3.5327 8.0969 119.0589 56.5574 29.7391 176.8499 10 D 4.4056 7.9301 120.4402 52.6404 42.4696 173.8302 11 P 4.5430 0.0000 0.0000 63.7895 31.6802 177.6378 12 G 3.9761 8.0629 104.3677 45.9825 0.0000 172.7255 13 I 4.2069 7.8943 109.9984 60.8046 38.6199 176.3584 14 C 4.6390 7.6166 119.2898 56.5792 41.2815 173.4407 15 R 4.6404 8.2253 119.7238 56.4438 30.6528 176.9396 16 G 3.9177 7.6048 104.2687 45.2617 0.0000 173.4639 17 Y 5.1147 8.1841 121.0403 55.6448 37.8885 173.7769 18 I 4.2567 8.2107 122.3247 59.3973 39.6143 176.0042 19 T 4.1581 8.2344 124.8335 63.6598 68.9137 174.0819 20 R 4.5567 8.3316 124.4491 54.9706 35.6324 173.3134 21 Y 5.7516 9.2183 117.4256 56.5440 41.3346 175.3247 22 F 5.5558 9.4925 116.9134 55.3369 41.9106 173.2702 23 Y 4.4566 9.8882 122.8326 56.7488 39.6076 174.5525 24 N 4.3970 8.1855 128.0324 52.3417 37.6657 175.1726 25 N 4.0386 8.2416 123.3085 54.7461 37.7212 176.5114 26 Q 4.1123 8.5174 120.9219 58.9869 29.3183 176.8114 27 T 3.9723 7.9405 104.6729 61.6576 69.7555 173.9493 28 K 3.4594 7.9091 121.1095 55.2725 30.1096 174.0632 29 Q 4.7454 6.3213 113.9841 55.3162 32.0433 175.7829 30 C 4.9374 9.1195 118.8784 57.2773 41.5776 172.7802 31 E 4.8710 9.1417 121.2942 54.8382 34.2154 174.0829 32 R 4.9999 8.6549 120.8800 55.4820 32.0141 174.8824 33 F 4.9388 9.1144 119.2431 56.1096 42.1086 172.4406 34 K 4.4557 8.4904 117.7727 54.7613 33.9050 175.5644 35 Y 4.5316 8.5810 127.6912 56.5655 40.1630 176.4282 36 G 4.0062 8.2462 112.8062 46.3982 0.0000 175.2074 37 G 3.9964 7.1859 107.7852 45.1293 0.0000 172.4131 38 C 4.8103 6.8313 112.8841 54.8362 44.8565 173.4212 39 L 3.6725 8.5283 119.3476 56.0081 39.4658 174.5691 40 G 4.2835 8.0046 111.8317 45.3794 0.0000 171.1077 41 N 5.0948 8.2302 120.5161 50.9840 40.5694 174.3958 42 M 3.8147 8.3924 116.5051 57.8512 32.4243 177.2662 43 N 4.3649 7.1552 119.1505 51.0952 37.2313 173.8959 44 N 4.6254 6.2686 115.3033 52.9098 40.8633 173.1153 45 F 5.0866 8.8992 125.1244 55.5086 41.9125 176.9211 46 E 4.2448 9.0116 123.4115 58.6583 29.7877 176.9912 47 T 4.7137 7.5463 108.3495 58.6353 72.1233 174.7137 48 L 3.3699 7.3717 123.5812 57.6059 41.9059 178.7181 49 E 3.7518 7.8105 119.0101 59.2290 29.6334 178.0459 50 E 3.8190 7.8854 118.5014 59.7648 29.5346 178.5713 51 C 2.7979 7.4797 117.9235 59.5364 39.6325 175.9661 52 K 3.6660 8.0534 119.9439 59.2228 31.3717 179.1794 53 N 4.1749 8.0294 116.9855 56.3483 38.3058 177.5708 54 I 3.6327 7.3841 119.5935 64.5159 37.3996 177.3001 55 C 4.0634 7.7066 115.3550 59.1580 40.5967 174.7193 56 E 3.8844 7.8707 119.6054 55.8569 30.3393 176.3999 57 D 5.5599 7.4855 135.0000 54.3106 41.4554 177.3607 58 G 4.0234 7.4948 111.7220 45.5160 0.0000 172.1751 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 K 8.31 4.12 0.00 1.81 1.52 0.00 1.77 0.00 0.00 1.13 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.40 7.81 2 P 0.00 4.23 0.00 0.58 1.69 0.00 3.12 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.02 0.00 3 D 8.56 4.59 0.00 2.78 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 4 F 8.17 4.42 0.00 3.26 3.36 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 5 C 7.48 4.58 0.00 2.03 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.90 4.70 0.00 3.22 3.16 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 7 L 7.68 4.40 0.00 1.83 1.65 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.53 4.29 0.00 1.95 1.85 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 2.36 2.33 0.00 9 E 8.10 3.53 0.00 1.16 1.12 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 1.74 1.88 0.00 10 D 7.93 4.41 0.00 2.69 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 11 P 0.00 4.54 0.00 2.27 2.31 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 12 G 8.06 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 13 I 7.89 4.21 1.85 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 1.39 0.67 0.90 0.00 0.00 14 C 7.62 4.64 0.00 2.87 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 15 R 8.23 4.64 0.00 1.76 1.91 0.00 3.17 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 16 G 7.60 3.92 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 17 Y 8.18 5.11 0.00 2.82 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 18 I 8.21 4.26 1.99 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 1.20 0.47 0.90 0.00 0.00 19 T 8.23 4.16 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 0.92 0.00 0.00 20 R 8.33 4.56 0.00 1.06 1.89 0.00 2.79 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.39 0.00 21 Y 9.22 5.75 0.00 3.24 3.12 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 22 F 9.49 5.56 0.00 3.07 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 23 Y 9.89 4.46 0.00 3.03 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.19 4.40 0.00 2.17 2.39 0.00 0.00 6.58 6.28 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 25 N 8.24 4.04 0.00 3.00 3.04 0.00 0.00 6.21 7.39 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 26 Q 8.52 4.11 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 27 T 7.94 3.97 4.17 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 1.17 0.00 0.00 28 K 7.91 3.46 0.00 1.89 1.97 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.50 7.81 29 Q 6.32 4.75 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.11 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 30 C 9.12 4.94 0.00 2.90 3.12 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 31 E 9.14 4.87 0.00 1.34 1.85 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 2.18 2.07 0.00 32 R 8.65 5.00 0.00 1.88 1.87 0.00 3.25 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.26 0.00 33 F 9.11 4.94 0.00 2.96 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 34 K 8.49 4.46 0.00 1.51 1.43 0.00 0.61 0.00 0.00 1.02 0.00 0.00 2.29 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.02 0.80 7.81 35 Y 8.58 4.53 0.00 2.41 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 36 G 8.25 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 0.00 0.00 0.00 37 G 7.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 6.83 4.81 0.00 3.02 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 39 L 8.53 3.67 0.00 1.80 1.78 0.92 0.89 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 40 G 8.00 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 0.00 0.00 0.00 0.00 41 N 8.23 5.09 0.00 2.77 2.79 0.00 0.00 5.90 7.66 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 42 M 8.39 3.81 0.00 1.27 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 43 N 7.16 4.36 0.00 2.92 2.75 0.00 0.00 6.91 7.67 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 44 N 6.27 4.63 0.00 2.54 2.41 0.00 0.00 7.10 7.02 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 45 F 8.90 5.09 0.00 3.22 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 46 E 9.01 4.24 0.00 2.16 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 0.00 2.35 2.33 0.00 47 T 7.55 4.71 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 1.27 0.00 0.00 48 L 7.37 3.37 0.00 0.59 1.22 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.81 3.75 0.00 1.97 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 2.30 2.33 0.00 50 E 7.89 3.82 0.00 2.22 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 2.35 2.34 0.00 51 C 7.48 2.80 0.00 2.76 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 52 K 8.05 3.67 0.00 1.84 1.74 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.69 1.56 7.81 53 N 8.03 4.17 0.00 2.84 2.78 0.00 0.00 6.95 7.32 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 54 I 7.38 3.63 1.64 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.50 1.05 0.00 0.00 55 C 7.71 4.06 0.00 2.60 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 0.00 0.00 0.00 0.00 56 E 7.87 3.88 0.00 1.94 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 2.35 2.30 0.00 57 D 7.49 5.56 0.00 2.78 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 58 G 7.49 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