NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2774 8.2549 117.2698 56.6122 30.2224 175.5925 11 S 4.0684 8.2767 107.9463 58.3886 63.3648 174.1171 12 G 3.8973 7.8155 109.7612 46.6244 0.0000 175.1912 13 R 4.1930 7.5324 114.9382 57.1530 30.2127 177.1652 14 F 5.0768 8.0383 117.2781 57.7947 40.4551 176.6876 15 G 3.8961 7.9622 108.3897 46.8237 0.0000 174.8472 16 A 4.3800 8.4490 124.7988 52.3746 19.6748 177.5297 17 R 3.8690 6.8538 114.4487 56.7307 30.7549 175.5255 18 Y 4.1101 7.9906 118.1841 57.1272 36.5055 170.3387 19 G 3.9764 7.8554 103.6168 44.7093 0.0000 174.4535 20 R 3.9379 8.5147 116.6933 59.3747 30.0719 179.4072 21 V 3.6264 7.8492 117.3726 66.3021 31.4239 178.2081 22 S 4.1511 8.0192 114.4796 61.3177 62.7124 175.9376 23 R 4.5032 7.8519 118.1978 56.6372 29.5302 177.7572 24 R 4.2729 7.9071 119.6521 58.4713 30.4837 177.7699 25 R 4.0991 7.9318 116.4603 57.8563 29.8429 178.1813 26 V 3.7446 7.4191 116.8382 64.0969 31.8346 177.5645 27 A 4.0916 7.3691 120.8636 54.9200 18.5077 179.3941 28 E 3.9767 7.9655 117.1019 59.5172 28.1713 179.4937 29 I 3.8315 7.3780 119.3520 63.4885 36.7239 177.3829 30 E 4.1072 7.7407 116.8550 57.0426 29.6400 177.8531 31 S 4.2182 7.5640 113.2436 60.2578 62.6687 174.5331 32 E 4.5901 7.9230 120.6590 56.3002 29.7609 176.6206 33 M 4.8456 7.3120 116.5144 56.9927 32.6634 175.8687 34 N 4.8684 7.6211 114.1292 53.0258 39.1214 174.6695 35 E 4.3750 7.7469 118.8927 54.8248 31.1318 175.1853 36 D 4.4485 8.3534 120.2559 54.6357 40.8750 175.6954 37 H 4.9694 8.5284 121.8173 54.0432 30.9770 174.4380 38 A 4.7076 8.4798 125.1275 51.2099 18.9046 176.5728 39 C 4.2647 8.3633 124.1713 58.5440 31.7929 172.4279 40 P 4.2086 0.0000 0.0000 65.1952 31.2680 177.5194 41 N 4.0746 7.6340 116.5136 55.6443 40.6775 174.9781 42 C 4.5137 7.7617 108.1997 57.9397 29.4996 175.6149 43 G 3.9969 8.9143 100.0803 45.9795 0.0000 172.1035 44 E 4.1772 7.9550 121.5247 54.4230 30.9105 176.3110 45 D 5.6779 8.0955 127.1804 53.9111 40.0667 177.2116 46 R 4.7080 7.7210 114.1765 55.9153 32.5775 177.2144 47 V 4.6111 8.0330 120.3834 63.1347 32.0678 174.9483 48 D 5.3554 9.3343 126.9575 52.2694 45.4774 175.3831 49 R 3.4033 8.5910 120.6658 55.6942 29.7374 176.2228 50 Q 4.0864 8.1587 126.1642 58.5715 29.3814 176.3294 51 G 3.7652 6.7523 104.5892 45.4475 0.0000 172.4099 52 T 3.9479 8.1791 117.6408 64.9560 67.0788 174.1255 53 G 4.0353 8.2749 116.2807 45.6099 0.0000 171.1136 54 I 3.8739 6.7250 121.2431 60.5983 38.1143 175.2204 55 W 4.9981 8.5676 126.6878 54.9101 32.7718 174.4238 56 Q 5.1420 8.7784 122.8081 55.0305 32.8772 172.6068 57 C 5.3134 9.1551 126.5523 57.9047 32.7848 174.4986 58 S 4.3920 8.8845 121.0840 60.2617 62.6670 174.7766 59 Y 4.2600 7.8538 122.4437 59.8232 38.8063 175.1996 60 C 4.1846 8.1182 117.3330 58.7508 32.2184 174.4958 61 D 4.6586 8.2514 117.0994 55.2152 38.9079 172.9334 62 Y 4.3241 7.6034 121.2471 58.2655 39.4668 174.5162 63 K 5.0446 8.4365 128.7886 55.2518 33.8196 175.3401 64 F 4.9642 9.3371 122.2959 56.0286 41.8771 172.6640 65 T 5.0120 8.5560 108.2087 60.7541 70.7341 174.5707 66 G 4.1882 7.5017 107.8410 46.9966 0.0000 172.4333 67 G 4.0605 8.1772 110.5269 45.2384 0.0000 175.1061 68 S 3.8332 8.5828 114.6344 61.4626 62.3888 175.5396 69 Y 4.8661 7.6548 115.4340 57.7248 39.4496 175.4695 70 K 4.6791 7.9917 119.4849 53.7591 34.5656 175.2713 71 P 2.9700 0.0000 0.0000 63.9416 31.7577 175.9437 72 E 4.5748 7.5113 118.3584 55.1270 33.4101 174.4865 73 T 4.5930 8.2448 113.4521 59.1850 70.9882 173.7566 74 P 4.1740 0.0000 0.0000 65.4597 31.3834 177.7083 75 G 3.8704 8.0549 104.3835 45.9316 0.0000 174.3057 76 G 3.8774 8.0888 108.2465 46.1301 0.0000 174.9501 77 K 4.2836 7.7893 118.6618 57.9776 33.2389 178.8576 78 T 3.8248 7.7720 115.4513 65.9254 68.7868 176.9061 79 V 3.7454 7.8063 120.2386 65.7797 31.9230 177.3953 80 R 4.0401 7.5405 118.1802 59.4325 29.7478 177.8777 81 R 3.9492 7.9360 114.9809 59.6894 30.3956 176.7108 82 S 4.3050 7.7506 114.9834 58.6084 63.0777 173.9336 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 10 R 8.25 4.28 0.00 1.90 1.88 0.00 2.98 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 11 S 8.28 4.07 0.00 4.11 4.03 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 12 G 7.82 3.90 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 0.00 0.00 0.00 13 R 7.53 4.19 0.00 1.86 1.96 0.00 2.85 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.04 0.00 14 F 8.04 5.08 0.00 3.40 3.34 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 15 G 7.96 3.90 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 0.00 0.00 0.00 16 A 8.45 4.38 1.24 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 0.00 0.00 17 R 6.85 3.87 0.00 0.81 0.90 0.00 2.93 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.36 0.00 18 Y 7.99 4.11 0.00 3.03 2.94 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 0.00 0.00 0.00 19 G 7.86 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 20 R 8.51 3.94 0.00 1.88 2.01 0.00 3.16 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 21 V 7.85 3.63 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 1.08 0.00 0.00 0.94 0.00 0.00 22 S 8.02 4.15 0.00 3.93 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 23 R 7.85 4.50 0.00 2.25 2.51 0.00 3.14 0.00 0.00 3.35 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.58 0.00 24 R 7.91 4.27 0.00 2.04 2.02 0.00 3.10 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 25 R 7.93 4.10 0.00 1.98 1.93 0.00 3.16 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 26 V 7.42 3.74 2.28 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 1.06 0.00 0.00 1.03 0.00 0.00 27 A 7.37 4.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.97 3.98 0.00 1.97 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 2.33 2.44 0.00 29 I 7.38 3.83 1.79 0.00 0.00 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 1.50 0.84 0.37 0.00 0.00 30 E 7.74 4.11 0.00 2.17 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 0.00 2.22 2.28 0.00 31 S 7.56 4.22 0.00 4.08 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.92 4.59 0.00 2.08 2.02 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 2.35 2.21 0.00 33 M 7.31 4.85 0.00 2.16 2.45 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.63 0.00 34 N 7.62 4.87 0.00 2.87 2.84 0.00 0.00 6.99 7.33 0.00 0.00 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 E 7.75 4.37 0.00 1.98 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 0.00 2.35 2.61 0.00 36 D 8.35 4.45 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.53 4.97 0.00 3.22 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.48 4.71 1.24 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 0.00 0.00 39 C 8.36 4.26 0.00 3.17 2.83 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 40 P 0.00 4.21 0.00 1.83 1.94 0.00 3.05 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.84 0.00 41 N 7.63 4.07 0.00 1.56 2.45 0.00 0.00 6.80 7.65 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 42 C 7.76 4.51 0.00 3.06 2.30 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 43 G 8.91 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 44 E 7.96 4.18 0.00 1.72 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.26 0.00 45 D 8.10 5.68 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.72 4.71 0.00 1.87 2.01 0.00 3.34 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 47 V 8.03 4.61 2.32 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 1.13 0.00 0.00 1.31 0.00 0.00 48 D 9.33 5.36 0.00 2.68 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 49 R 8.59 3.40 0.00 1.23 1.61 0.00 2.98 0.00 0.00 3.05 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 50 Q 8.16 4.09 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.31 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 51 G 6.75 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 52 T 8.18 3.95 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 53 G 8.27 4.04 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 0.00 0.00 0.00 54 I 6.72 3.87 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.82 0.77 0.00 0.00 55 W 8.57 5.00 0.00 1.94 2.41 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 56 Q 8.78 5.14 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 57 C 9.16 5.31 0.00 3.37 3.02 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 58 S 8.88 4.39 0.00 4.13 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.85 4.26 0.00 2.95 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.12 4.18 0.00 3.08 3.02 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 61 D 8.25 4.66 0.00 2.97 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 62 Y 7.60 4.32 0.00 3.07 3.01 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 63 K 8.44 5.04 0.00 1.80 1.63 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.39 7.81 64 F 9.34 4.96 0.00 3.02 2.41 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 65 T 8.56 5.01 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 1.22 0.00 0.00 66 G 7.50 4.19 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 0.00 67 G 8.18 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 68 S 8.58 3.83 0.00 3.13 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 69 Y 7.65 4.87 0.00 3.20 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 70 K 7.99 4.68 0.00 1.80 1.72 0.00 1.72 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.54 7.81 71 P 0.00 2.97 0.00 1.71 0.75 0.00 3.32 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.35 0.00 72 E 7.51 4.57 0.00 1.85 1.81 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 2.20 2.22 0.00 73 T 8.24 4.59 4.26 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 1.23 0.00 0.00 74 P 0.00 4.17 0.00 2.07 2.18 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 75 G 8.05 3.87 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 0.00 0.00 0.00 76 G 8.09 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 77 K 7.79 4.28 0.00 1.83 1.85 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.72 7.81 78 T 7.77 3.82 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 1.21 0.00 0.00 79 V 7.81 3.75 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 0.97 0.00 0.00 80 R 7.54 4.04 0.00 1.76 1.97 0.00 3.43 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 81 R 7.94 3.95 0.00 1.93 1.98 0.00 3.21 0.00 0.00 3.28 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 82 S 7.75 4.31 0.00 4.05 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