NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 745 E 4.2678 8.4449 121.4695 56.1632 30.8172 174.5137 746 D 4.8379 8.3072 121.3946 51.6245 43.5684 174.2292 747 D 4.9173 8.0160 119.8653 51.5728 45.2025 174.5994 748 P 4.3552 0.0000 0.0000 65.5292 31.5387 176.9464 749 L 4.3872 8.9094 118.2778 54.9690 42.1111 177.5234 750 Y 4.0602 8.1785 121.7733 61.3095 38.5092 178.2955 751 D 4.3316 8.1801 118.8861 57.0260 40.9482 178.2249 752 E 3.8813 8.1554 119.3720 59.1895 29.6376 178.5521 753 A 4.0101 8.2183 121.1654 55.1530 18.3379 179.7951 754 V 3.3475 7.7423 117.0452 66.0794 31.5708 178.4268 755 R 3.8674 8.2154 118.1810 59.1030 29.8033 178.8275 756 F 4.1480 8.1879 120.3578 61.4512 39.4578 177.4570 757 V 3.3454 8.2227 119.6287 65.3776 31.4318 177.8957 758 T 3.9447 8.1269 109.5811 64.0448 68.5708 176.7774 759 E 4.0472 7.8991 121.3682 59.0648 29.7670 178.6621 760 S 4.1179 7.8161 113.1256 58.7724 63.2603 175.1391 761 R 3.8376 7.5906 119.0028 56.5977 27.6386 175.5296 762 R 4.5080 7.6700 117.2954 54.5339 32.0823 176.2157 763 A 4.7529 8.4737 124.0225 51.4901 19.9795 176.6351 764 S 4.4485 7.8433 113.5689 58.9125 65.3337 175.1103 765 I 3.5986 8.1740 124.0223 64.5944 36.8711 178.8729 766 S 4.3363 8.0770 114.4140 61.3788 62.8512 176.2891 767 A 4.0256 8.0869 124.4353 54.9315 18.1923 179.8413 768 V 3.3291 7.9267 116.8271 65.9893 31.6299 177.9656 769 Q 3.9534 8.3619 118.3321 59.4607 28.4089 179.6830 770 R 3.9414 7.7989 117.2610 58.7660 30.1393 178.7704 771 K 3.8167 7.5712 118.9116 58.7806 32.2456 178.1065 772 L 4.2691 7.5852 115.7270 53.1597 43.1600 176.1881 773 K 3.8288 7.9606 117.8855 57.5686 29.6770 173.7718 774 I 4.6548 7.1597 109.8055 57.9858 41.5103 175.9724 775 G 3.9090 8.2471 107.2625 44.0989 0.0000 174.1679 776 Y 3.9474 8.4821 120.6740 60.8898 38.8228 178.0518 777 N 4.5229 8.3417 116.9168 56.1067 38.5882 177.2572 778 R 3.8499 8.0196 119.5527 59.4090 30.2592 178.3136 779 A 3.9275 8.0666 120.2878 55.0397 18.3226 179.4111 780 A 3.7991 8.1919 119.7148 55.4141 18.4363 180.1291 781 R 4.0562 8.2431 116.6986 59.6679 30.1089 179.2548 782 M 4.2618 7.9563 118.4219 58.4463 31.9245 178.8831 783 I 3.8528 7.8672 120.0965 64.1660 37.2391 178.2350 784 E 3.9768 8.4791 119.5771 59.3894 29.2804 179.2203 785 A 4.0355 8.1293 120.7884 55.4215 18.3188 179.6296 786 M 4.3608 8.2696 118.6903 57.8661 32.0116 178.5721 787 E 4.1041 8.3423 119.5819 59.7316 29.6573 178.7276 788 M 4.0714 7.9945 117.0985 58.0888 32.1007 177.7129 789 A 4.4368 7.8807 118.0405 51.7882 19.1547 178.0088 790 G 3.8716 7.9389 105.6869 45.6062 0.0000 174.9245 791 V 3.9583 8.1413 121.8425 64.5035 32.5950 176.1255 792 V 5.0649 7.5637 111.3381 59.2524 35.6804 175.4674 793 T 4.3697 8.7187 113.7928 60.3428 69.7481 172.4937 794 P 4.5996 0.0000 0.0000 62.8140 31.7574 175.9785 795 M 4.3488 8.2561 118.8811 55.0006 32.5523 176.1829 796 N 4.5784 9.2707 122.1938 53.4564 39.7465 175.7300 797 T 4.0026 8.3342 110.3854 63.4573 69.0440 174.7269 798 N 4.6479 8.1956 118.7508 52.6271 37.5654 175.9154 799 G 4.0041 8.3716 108.7489 45.3963 0.0000 174.5688 800 S 4.3654 8.1767 114.9365 58.2650 63.7349 173.5037 801 R 4.9426 8.1396 119.6547 54.7114 34.2183 174.0593 802 E 4.7864 8.7446 118.3550 54.6481 32.9416 175.3836 803 V 4.2357 8.2141 122.1315 62.4962 32.1101 175.3346 804 I 4.2521 8.7091 128.8901 63.3072 38.1598 176.7334 805 A 4.3125 7.9010 121.9536 50.9849 18.9270 175.7869 806 P 4.3290 0.0000 0.0000 61.9712 32.2686 176.2306 807 A 4.3316 8.0625 121.4132 50.7775 18.9399 175.9220 808 P 4.3940 0.0000 0.0000 62.5638 32.0687 177.4356 809 V 3.8055 8.2061 113.1029 61.8378 31.4788 176.3123 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 745 E 8.44 4.27 0.00 1.95 1.93 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 2.19 2.34 0.00 746 D 8.31 4.84 0.00 2.73 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 0.00 747 D 8.02 4.92 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 748 P 0.00 4.36 0.00 2.23 2.19 0.00 3.83 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 2.00 2.00 0.00 749 L 8.91 4.39 0.00 1.76 1.72 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 750 Y 8.18 4.06 0.00 3.14 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 0.00 751 D 8.18 4.33 0.00 2.80 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 0.00 752 E 8.16 3.88 0.00 2.07 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 2.36 2.43 0.00 753 A 8.22 4.01 1.28 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 0.00 754 V 7.74 3.35 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 1.02 0.00 0.00 0.29 0.00 0.00 755 R 8.22 3.87 0.00 2.07 1.98 0.00 3.35 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 756 F 8.19 4.15 0.00 3.10 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 0.00 757 V 8.22 3.35 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 1.00 0.00 0.00 1.04 0.00 0.00 758 T 8.13 3.94 4.33 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 0.00 0.00 0.00 1.20 0.00 0.00 759 E 7.90 4.05 0.00 1.88 1.99 0.00 0.00 0.00 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 2.51 0.00 760 S 7.82 4.12 0.00 3.70 3.39 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 0.00 761 R 7.59 3.84 0.00 1.92 2.02 0.00 3.28 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 762 R 7.67 4.51 0.00 1.66 1.81 0.00 3.11 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 763 A 8.47 4.75 1.21 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 0.00 0.00 764 S 7.84 4.45 0.00 4.08 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 0.00 765 I 8.17 3.60 1.65 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.43 0.20 0.00 0.00 766 S 8.08 4.34 0.00 4.08 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 0.00 767 A 8.09 4.03 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 768 V 7.93 3.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.08 0.00 0.00 769 Q 8.36 3.95 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 770 R 7.80 3.94 0.00 1.73 1.93 0.00 3.17 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 771 K 7.57 3.82 0.00 0.79 1.18 0.00 1.46 0.00 0.00 1.43 0.00 0.00 3.19 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.45 1.14 7.81 772 L 7.59 4.27 0.00 1.56 1.62 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 773 K 7.96 3.83 0.00 1.87 1.83 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.30 7.81 774 I 7.16 4.65 1.86 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 1.30 0.63 0.93 0.00 0.00 775 G 8.25 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 0.00 776 Y 8.48 3.95 0.00 3.11 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 0.00 777 N 8.34 4.52 0.00 2.85 2.91 0.00 0.00 6.69 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 0.00 778 R 8.02 3.85 0.00 1.89 1.92 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 779 A 8.07 3.93 1.26 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 0.00 0.00 780 A 8.19 3.80 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 781 R 8.24 4.06 0.00 1.84 2.01 0.00 3.31 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.83 0.00 782 M 7.96 4.26 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.74 0.00 783 I 7.87 3.85 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 0.96 0.00 0.00 784 E 8.48 3.98 0.00 2.20 2.01 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 2.34 2.47 0.00 785 A 8.13 4.04 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 786 M 8.27 4.36 0.00 2.13 2.37 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.39 0.00 787 E 8.34 4.10 0.00 2.06 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 0.00 2.32 2.36 0.00 788 M 7.99 4.07 0.00 2.02 2.29 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 2.83 2.57 0.00 789 A 7.88 4.44 1.36 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 0.00 0.00 790 G 7.94 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 0.00 791 V 8.14 3.96 2.23 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 0.99 0.00 0.00 0.99 0.00 0.00 792 V 7.56 5.06 2.16 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 0.79 0.00 0.00 0.96 0.00 0.00 793 T 8.72 4.37 4.24 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 1.25 0.00 0.00 794 P 0.00 4.60 0.00 2.20 2.22 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 795 M 8.26 4.35 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.72 0.00 796 N 9.27 4.58 0.00 2.76 2.92 0.00 0.00 6.83 7.75 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 0.00 797 T 8.33 4.00 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 1.22 0.00 0.00 798 N 8.20 4.65 0.00 2.84 2.96 0.00 0.00 6.28 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 799 G 8.37 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 0.00 800 S 8.18 4.37 0.00 4.04 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 0.00 801 R 8.14 4.94 0.00 1.75 1.81 0.00 3.16 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 802 E 8.74 4.79 0.00 1.87 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 2.21 2.20 0.00 803 V 8.21 4.24 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 0.83 0.00 0.00 0.94 0.00 0.00 804 I 8.71 4.25 2.11 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.70 0.91 0.00 0.00 805 A 7.90 4.31 1.21 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 0.00 0.00 806 P 0.00 4.33 0.00 2.18 2.05 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 807 A 8.06 4.33 1.25 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 0.00 0.00 808 P 0.00 4.39 0.00 2.04 1.99 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 809 V 8.21 3.81 2.08 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 0.65 0.00 0.00 0.93 0.00 0.00