NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 703 E 4.3088 8.4449 118.7958 56.0300 31.9805 176.7416 704 R 4.0038 7.9882 119.0250 54.3207 32.0699 174.8114 705 P 4.1723 0.0000 0.0000 66.2836 31.7412 178.7360 706 L 3.9615 7.8253 116.4006 57.1746 41.4961 179.1616 707 D 4.3152 7.8565 118.8860 57.3217 40.6571 178.5530 708 V 3.5542 7.4277 117.1955 66.0979 31.8736 177.7352 709 I 3.6974 7.3973 118.9403 64.7224 37.0653 178.0188 710 H 4.4022 8.4704 119.5198 58.5395 29.4187 176.3687 711 R 4.4120 7.9276 116.0669 56.4729 29.9363 177.4260 712 S 4.6367 7.6833 114.9849 57.4445 63.8073 173.9239 713 L 4.3384 6.8476 121.6911 56.5813 41.7393 177.1154 714 D 4.6558 9.7313 122.8394 54.4251 39.1240 173.7402 715 K 4.7548 7.8531 118.6374 54.4061 36.0352 174.9409 716 D 5.1298 8.4832 121.5312 54.3365 42.1212 176.1444 717 V 4.9485 9.0821 115.8159 59.4503 36.5454 174.0912 718 L 4.7866 9.3049 125.2113 53.5105 44.2430 175.2283 719 V 4.5969 9.1552 127.6690 61.5008 33.2843 174.6404 720 I 4.5044 8.8783 131.0634 60.2003 38.0471 176.0134 721 L 4.7501 8.3142 127.9869 53.8189 42.2276 177.6095 722 K 4.0148 8.5613 120.4980 59.9235 32.7279 178.5992 723 K 3.8814 8.1966 119.5713 57.8301 32.0148 177.8476 724 G 4.5470 6.9859 116.5234 45.9837 0.0000 171.6213 725 F 5.2871 6.3579 116.4689 56.0698 41.4183 174.3254 726 E 5.2995 8.4815 113.0482 56.0680 33.1839 174.1660 727 F 5.4933 9.3919 120.1990 55.8835 42.4425 174.4568 728 R 5.0679 9.5404 122.2291 54.0623 33.5834 174.9690 729 G 4.1513 7.7933 111.0549 46.4583 0.0000 170.7980 730 R 4.9035 7.8868 120.6713 55.1779 31.5038 175.4049 731 L 4.6111 9.1480 129.8648 54.8216 42.7032 176.3500 732 I 4.5741 9.5980 121.2588 58.6725 38.3508 175.8479 733 G 4.2119 7.6966 114.5251 46.3017 0.0000 171.3499 734 Y 4.9519 7.3725 116.5748 57.6075 40.1018 171.6444 735 D 4.7115 8.0903 118.4061 52.0299 42.1546 175.8120 736 I 3.8410 8.2455 111.9794 63.3969 37.4243 176.3885 737 H 4.5291 8.5168 117.4811 55.8337 28.9687 175.4195 738 L 3.8356 8.2833 119.3094 55.6057 39.2906 174.0645 739 N 4.9037 8.2108 115.2287 53.6271 40.1229 174.4439 740 V 4.7900 8.4838 113.0887 59.9915 37.1018 174.3282 741 V 4.8913 8.8886 121.7428 61.2292 34.4504 174.3473 742 L 5.4394 8.7329 126.6755 52.9063 45.4848 175.2852 743 A 5.0532 8.8287 123.0123 50.2563 22.3397 175.5407 744 D 4.4159 8.4509 117.9874 55.3311 38.9416 173.5674 745 A 5.1285 8.9104 122.1249 50.7885 22.3051 177.6127 746 E 5.1029 9.5619 119.3174 54.7070 33.4520 174.8723 747 M 3.9057 9.2013 125.9901 55.0977 33.2060 174.8104 748 I 4.8756 8.9535 127.0507 59.4630 40.3211 174.2485 749 Q 4.2972 8.6812 128.0520 54.2963 30.9785 174.0592 750 D 4.4569 9.3469 127.7630 56.1074 37.8140 173.7560 751 G 4.0629 8.1083 101.7877 45.9714 0.0000 170.9446 752 E 4.4948 7.6595 117.7577 53.7736 32.3859 175.5708 753 V 4.1157 8.3603 123.2308 63.2348 30.7601 175.4896 754 V 4.0250 8.2472 121.6635 62.7232 32.4079 176.3705 755 K 4.4671 7.5419 119.6882 55.2516 35.6724 174.4790 756 R 5.1117 7.9409 122.1459 54.6148 33.9023 174.3746 757 Y 4.6819 9.1974 120.5603 56.1580 41.4414 176.7724 758 G 3.4561 9.0656 111.6620 48.9485 0.0000 173.3762 759 K 5.2315 7.8467 120.2715 54.9409 35.4558 175.3471 760 I 4.5450 8.7361 126.6582 59.3098 41.9166 173.4397 761 V 4.7131 8.2707 128.1004 61.1595 33.6218 174.3924 762 I 4.3907 8.1526 128.6305 59.1500 39.9660 175.4016 763 R 4.3474 8.6222 126.4735 55.9669 30.3394 177.5706 764 G 4.2610 9.9377 113.6323 47.7813 0.0000 174.8555 765 D 4.3748 8.0856 118.0895 56.0048 39.5513 176.9361 766 N 4.5431 8.6173 116.4918 53.7252 39.0886 174.9642 767 V 4.0325 7.7645 119.8938 62.6160 32.3043 174.8543 768 L 4.4880 9.0103 129.2944 56.6669 43.2167 176.0630 769 A 4.5696 7.3463 116.8921 51.2591 22.4361 174.9899 770 I 5.0776 8.3290 119.3843 59.5856 40.9833 175.1505 771 S 4.6439 9.0890 120.2986 55.8376 65.5020 171.7793 772 P 4.6711 0.0000 0.0000 62.9371 32.3008 176.5789 773 T 3.8287 8.2594 111.0239 62.4013 70.7089 172.0458 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 703 E 8.44 4.31 0.00 2.08 2.15 0.00 0.00 0.00 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 2.33 0.00 704 R 7.99 4.00 0.00 2.01 1.87 0.00 3.15 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 705 P 0.00 4.17 0.00 2.11 2.09 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 706 L 7.83 3.96 0.00 1.66 1.68 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 707 D 7.86 4.32 0.00 2.81 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 0.00 708 V 7.43 3.55 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 0.80 0.00 0.00 0.95 0.00 0.00 709 I 7.40 3.70 1.54 0.00 0.00 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 1.25 0.89 0.17 0.00 0.00 710 H 8.47 4.40 0.00 3.40 3.48 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 711 R 7.93 4.41 0.00 2.03 2.20 0.00 3.09 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 712 S 7.68 4.64 0.00 4.07 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 0.00 713 L 6.85 4.34 0.00 1.72 1.63 0.83 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 714 D 9.73 4.66 0.00 2.73 2.85 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 0.00 715 K 7.85 4.75 0.00 1.91 1.68 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.38 7.81 716 D 8.48 5.13 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 717 V 9.08 4.95 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 0.97 0.00 0.00 1.02 0.00 0.00 718 L 9.30 4.79 0.00 1.71 1.67 1.03 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 719 V 9.16 4.60 2.33 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 1.04 0.00 0.00 0.97 0.00 0.00 720 I 8.88 4.50 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.73 0.90 0.00 0.00 721 L 8.31 4.75 0.00 1.15 1.46 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 722 K 8.56 4.01 0.00 1.72 1.89 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.35 7.81 723 K 8.20 3.88 0.00 1.31 1.62 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.37 7.81 724 G 6.99 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 725 F 6.36 5.29 0.00 3.18 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 0.00 726 E 8.48 5.30 0.00 2.14 2.13 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 2.26 2.32 0.00 727 F 9.39 5.49 0.00 3.03 2.99 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 0.00 0.00 0.00 728 R 9.54 5.07 0.00 1.90 1.79 0.00 3.24 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 729 G 7.79 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 730 R 7.89 4.90 0.00 2.01 1.83 0.00 3.11 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 731 L 9.15 4.61 0.00 1.81 1.75 1.11 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 732 I 9.60 4.57 1.87 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 1.30 0.82 0.99 0.00 0.00 733 G 7.70 4.21 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 0.00 734 Y 7.37 4.95 0.00 3.15 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 0.00 735 D 8.09 4.71 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 736 I 8.25 3.84 1.84 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.40 0.93 0.00 0.00 737 H 8.52 4.53 0.00 3.32 3.36 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 738 L 8.28 3.84 0.00 1.90 1.81 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 739 N 8.21 4.90 0.00 2.81 2.81 0.00 0.00 6.76 7.68 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 0.00 740 V 8.48 4.79 2.11 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 0.84 0.00 0.00 0.90 0.00 0.00 741 V 8.89 4.89 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 1.06 0.00 0.00 0.91 0.00 0.00 742 L 8.73 5.44 0.00 1.59 1.52 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 743 A 8.83 5.05 1.22 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 0.00 0.00 0.00 744 D 8.45 4.42 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 745 A 8.91 5.13 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 746 E 9.56 5.10 0.00 1.89 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 2.26 2.29 0.00 747 M 9.20 3.91 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.93 0.00 748 I 8.95 4.88 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.25 0.90 0.00 0.00 749 Q 8.68 4.30 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.24 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 750 D 9.35 4.46 0.00 2.82 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 0.00 751 G 8.11 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 0.00 752 E 7.66 4.49 0.00 2.11 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 753 V 8.36 4.12 2.05 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 0.76 0.00 0.00 0.96 0.00 0.00 754 V 8.25 4.02 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 0.63 0.00 0.00 0.79 0.00 0.00 755 K 7.54 4.47 0.00 1.67 1.45 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.72 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.76 1.21 7.81 756 R 7.94 5.11 0.00 1.55 1.71 0.00 3.17 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 757 Y 9.20 4.68 0.00 2.93 2.82 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 0.00 758 G 9.07 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 759 K 7.85 5.23 0.00 1.75 1.65 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.44 7.81 760 I 8.74 4.55 1.63 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.67 0.65 0.00 0.00 761 V 8.27 4.71 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 0.83 0.00 0.00 0.89 0.00 0.00 762 I 8.15 4.39 1.75 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.84 0.00 0.00 763 R 8.62 4.35 0.00 1.85 1.96 0.00 3.13 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 764 G 9.94 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 0.00 0.00 0.00 0.00 765 D 8.09 4.37 0.00 2.78 2.81 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 0.00 766 N 8.62 4.54 0.00 2.79 2.85 0.00 0.00 6.50 7.68 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 0.00 767 V 7.76 4.03 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 0.74 0.00 0.00 0.92 0.00 0.00 768 L 9.01 4.49 0.00 1.59 1.79 0.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 769 A 7.35 4.57 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 0.00 770 I 8.33 5.08 1.84 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 1.23 0.70 0.90 0.00 0.00 771 S 9.09 4.64 0.00 3.83 3.65 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 0.00 772 P 0.00 4.67 0.00 1.97 1.97 0.00 3.87 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 773 T 8.26 3.83 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