NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1324 8.2549 117.2586 54.7802 30.9745 175.1184 2 P 4.0032 0.0000 0.0000 62.3202 31.8759 176.0692 3 D 4.4046 8.5625 122.0382 57.4017 41.6367 178.8646 4 F 4.4343 7.9938 114.5459 59.8569 37.6010 177.7007 5 C 4.6845 7.5599 116.1283 58.9189 39.9889 174.6486 6 L 4.4162 7.8419 119.4753 53.8372 42.0444 176.5616 7 E 4.2374 7.7351 119.9664 55.1712 30.1119 175.1993 8 P 4.3663 0.0000 0.0000 61.4654 32.1836 174.4985 9 P 3.5479 0.0000 0.0000 62.9457 31.2999 175.4789 10 Y 4.5534 7.5270 120.2793 55.9660 40.3671 175.1129 11 T 4.1569 8.2698 125.4034 65.3437 68.8055 176.3584 12 G 3.9088 6.8308 104.5977 44.2090 0.0000 171.3518 13 P 4.3065 0.0000 0.0000 64.5259 31.7657 177.5550 14 C 4.5133 7.7713 116.8971 56.7787 40.8857 173.7751 15 K 4.2231 8.1674 118.3050 56.1737 32.5574 176.6812 16 A 4.1460 7.8367 122.1980 51.6183 19.6568 177.4042 17 R 4.7414 7.8992 115.8861 54.5469 29.6367 174.9462 18 I 4.3275 8.2869 121.8613 59.6179 39.7992 176.4034 19 I 4.2247 8.2149 127.9314 61.3733 37.5819 175.4610 20 R 4.4756 8.3692 125.0531 54.4705 34.8452 173.6015 21 Y 5.7141 9.0658 117.9878 56.5251 40.9671 175.2458 22 F 5.7605 9.3254 116.9671 55.3077 42.0927 173.0274 23 Y 4.3549 10.1205 122.9825 57.2859 40.0168 174.0139 24 N 4.8088 8.1105 126.3357 51.6135 38.3433 175.0760 25 A 3.9266 8.2146 129.3730 54.5120 19.0215 178.8297 26 K 4.0173 8.1944 116.2638 59.5205 32.4363 178.0658 27 A 3.9548 7.9369 120.2436 53.1127 18.4437 178.4360 28 G 4.0095 9.0028 103.6753 45.2298 0.0000 172.5492 29 L 4.7590 6.8159 118.5842 54.3244 44.3335 175.1032 30 C 4.9163 8.5678 116.3665 56.4357 42.6532 173.3051 31 Q 4.8987 8.2605 120.5465 54.0382 32.9610 174.6973 32 T 4.9778 8.6353 110.9734 61.7428 70.1933 173.6818 33 F 5.1227 9.2180 117.8883 55.5225 42.3052 173.2492 34 V 4.2833 8.4883 119.6668 62.1132 32.1128 174.1979 35 Y 4.8125 9.1302 131.0786 56.1886 40.4769 176.3519 36 G 3.8210 7.9567 112.8309 45.8071 0.0000 175.0792 37 G 3.8818 6.4590 107.5257 45.2837 0.0000 172.4731 38 C 4.9833 6.7550 111.9252 54.4477 44.8800 173.0865 39 R 3.8016 8.8287 115.8479 56.8809 27.0764 176.9065 40 A 4.2834 8.3688 118.9225 52.7107 19.0221 178.1986 41 K 4.3742 8.3017 120.4902 54.7789 34.1006 177.1784 42 R 3.5232 8.0012 118.0670 58.8191 30.4179 177.6437 43 N 4.8590 7.7174 118.3319 51.4389 37.1857 174.4624 44 N 5.0663 6.8630 116.1329 53.0106 41.2392 173.1196 45 F 4.9581 9.4753 125.4990 55.3710 42.1077 176.7256 46 K 4.0187 9.0672 126.3192 58.5125 32.5140 177.3335 47 S 4.8817 8.0769 112.6142 56.3821 64.9920 174.5598 48 A 3.4273 8.1884 130.3457 54.5639 18.0540 179.2053 49 E 3.7279 8.0147 117.7191 59.8109 29.7099 178.7803 50 D 4.3306 7.7688 118.7159 57.1895 40.8227 178.0878 51 C 2.4500 7.4971 119.0518 59.3031 44.8187 175.4036 52 M 3.8852 7.5643 120.2160 58.3920 31.3167 178.8873 53 R 3.7773 7.4880 117.3182 59.7507 30.4004 178.3561 54 T 4.0023 7.6548 114.2445 65.9846 68.5838 175.1414 55 C 4.5471 7.6602 115.0383 56.4444 41.7533 175.4763 56 G 3.4774 7.9200 109.9956 47.3318 0.0000 174.2738 57 G 4.0945 7.6108 106.8771 43.3897 0.0000 172.7667 58 A 4.1175 8.1992 124.0196 52.2646 19.2402 176.0268 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 R 8.25 4.13 0.00 1.62 1.96 0.00 3.00 0.00 0.00 2.86 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.00 2 P 0.00 4.00 0.00 0.97 1.64 0.00 3.38 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 1.60 1.97 0.00 3 D 8.56 4.40 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.43 0.00 3.40 3.35 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 5 C 7.56 4.68 0.00 2.96 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 6 L 7.84 4.42 0.00 1.73 1.76 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.74 4.24 0.00 2.17 1.90 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 2.37 2.40 0.00 8 P 0.00 4.37 0.00 2.08 2.00 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 9 P 0.00 3.55 0.00 1.13 0.49 0.00 3.26 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.48 0.00 10 Y 7.53 4.55 0.00 2.77 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 11 T 8.27 4.16 4.11 0.00 0.00 0.00 0.00 0.00 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 12 G 6.83 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.31 0.00 2.17 2.19 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 14 C 7.77 4.51 0.00 2.80 2.98 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 15 K 8.17 4.22 0.00 1.67 1.77 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.31 7.81 16 A 7.84 4.15 1.16 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 17 R 7.90 4.74 0.00 1.61 1.80 0.00 3.16 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 18 I 8.29 4.33 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 1.14 1.24 0.92 0.00 0.00 19 I 8.21 4.22 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.58 0.00 0.00 20 R 8.37 4.48 0.00 0.67 1.57 0.00 3.33 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.38 0.00 21 Y 9.07 5.71 0.00 3.12 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 22 F 9.33 5.76 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 23 Y 10.12 4.35 0.00 3.12 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 24 N 8.11 4.81 0.00 2.37 2.49 0.00 0.00 6.65 8.35 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 25 A 8.21 3.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 4.02 0.00 1.72 1.91 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.38 7.81 27 A 7.94 3.95 1.19 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 0.00 0.00 28 G 9.00 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 29 L 6.82 4.76 0.00 1.65 1.70 0.80 0.60 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 30 C 8.57 4.92 0.00 2.80 3.07 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 0.00 0.00 0.00 0.00 31 Q 8.26 4.90 0.00 1.39 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.96 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 32 T 8.64 4.98 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 1.23 0.00 0.00 33 F 9.22 5.12 0.00 3.03 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 34 V 8.49 4.28 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 0.72 0.00 0.00 0.91 0.00 0.00 35 Y 9.13 4.81 0.00 2.47 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 36 G 7.96 3.82 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 0.00 0.00 0.00 37 G 6.46 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 38 C 6.75 4.98 0.00 3.04 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 39 R 8.83 3.80 0.00 2.18 2.21 0.00 3.29 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 40 A 8.37 4.28 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.30 4.37 0.00 1.69 1.78 0.00 1.45 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.11 1.03 7.81 42 R 8.00 3.52 0.00 1.03 0.66 0.00 2.98 0.00 0.00 2.88 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.21 0.00 43 N 7.72 4.86 0.00 3.10 2.87 0.00 0.00 6.92 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 6.86 5.07 0.00 2.73 2.62 0.00 0.00 7.09 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 9.48 4.96 0.00 3.35 3.17 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 0.00 46 K 9.07 4.02 0.00 1.77 1.93 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.49 7.81 47 S 8.08 4.88 0.00 3.97 3.96 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 48 A 8.19 3.43 0.47 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 0.00 0.00 49 E 8.01 3.73 0.00 1.98 1.92 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 2.33 2.36 0.00 50 D 7.77 4.33 0.00 2.99 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 51 C 7.50 2.45 0.00 2.56 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 52 M 7.56 3.89 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 53 R 7.49 3.78 0.00 1.82 1.87 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 54 T 7.65 4.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 55 C 7.66 4.55 0.00 2.65 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 0.00 0.00 0.00 56 G 7.92 3.48 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 0.00 0.00 0.00 57 G 7.61 4.09 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 0.00 0.00 0.00 58 A 8.20 4.12 1.17 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 0.00 0.00 0.00